Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
3417 | 1dqb RC | 4630 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H HIS 1 1H HIS 1 6.943 1.928 25.754
2 2H HIS 1 2H HIS 1 5.363 1.696 26.331
3 3H HIS 1 3H HIS 1 6.190 0.416 25.580
4 HA HIS 1 HA HIS 1 5.173 2.893 24.397
5 1HB HIS 1 1HB HIS 1 7.519 2.128 23.564
6 2HB HIS 1 2HB HIS 1 6.703 0.733 22.895
7 HD2 HIS 1 HD2 HIS 1 5.773 1.065 20.493
8 HE1 HIS 1 HE1 HIS 1 5.591 5.351 20.306
9 HE2 HIS 1 HE2 HIS 1 5.182 3.189 18.970
10 H MET 2 H MET 2 5.446 -0.592 23.355
11 HA MET 2 HA MET 2 4.129 -2.229 24.263
12 1HB MET 2 2HB MET 2 2.929 0.187 25.695
13 2HB MET 2 1HB MET 2 2.255 -1.408 25.925
14 1HG MET 2 1HG MET 2 5.119 -1.619 26.242
15 2HG MET 2 2HG MET 2 4.564 -0.261 27.206
16 1HE MET 2 1HE MET 2 5.891 -2.969 27.522
17 2HE MET 2 2HE MET 2 4.806 -4.370 27.553
18 3HE MET 2 3HE MET 2 5.318 -3.612 29.070
19 H GLU 3 H GLU 3 1.352 -2.187 24.822
20 HA GLU 3 HA GLU 3 -0.074 -1.417 22.574
21 1HB GLU 3 1HB GLU 3 -0.043 -3.876 21.497
22 2HB GLU 3 2HB GLU 3 1.256 -2.748 21.105
23 1HG GLU 3 1HG GLU 3 2.649 -3.746 22.952
24 2HG GLU 3 2HG GLU 3 1.356 -4.886 23.294
25 HA PRO 4 HA PRO 4 -3.205 -3.841 24.760
26 1HB PRO 4 1HB PRO 4 -5.156 -2.496 23.146
27 2HB PRO 4 2HB PRO 4 -4.862 -2.247 24.862
28 1HG PRO 4 1HG PRO 4 -4.185 -0.485 22.643
29 2HG PRO 4 2HG PRO 4 -4.000 -0.170 24.369
30 1HD PRO 4 1HD PRO 4 -1.948 -0.803 22.429
31 2HD PRO 4 2HD PRO 4 -1.713 -0.466 24.156
32 H VAL 5 H VAL 5 -1.554 -4.534 22.339
33 HA VAL 5 HA VAL 5 -1.927 -3.828 20.019
34 HB VAL 5 HB VAL 5 -2.644 -6.705 20.510
35 1HG1 VAL 5 1HG1 VAL 5 -1.269 -7.031 18.301
36 2HG1 VAL 5 2HG1 VAL 5 -2.938 -6.482 18.199
37 3HG1 VAL 5 3HG1 VAL 5 -1.622 -5.322 18.030
38 1HG2 VAL 5 1HG2 VAL 5 0.166 -5.574 20.183
39 2HG2 VAL 5 2HG2 VAL 5 -0.571 -5.950 21.742
40 3HG2 VAL 5 3HG2 VAL 5 -0.258 -7.240 20.581
41 H ASP 6 H ASP 6 -3.474 -3.199 18.584
42 HA ASP 6 HA ASP 6 -5.131 -2.091 20.346
43 1HB ASP 6 2HB ASP 6 -4.862 -1.733 17.584
44 2HB ASP 6 1HB ASP 6 -6.598 -1.871 17.807
45 HA PRO 7 HA PRO 7 -7.169 -5.899 18.281
46 1HB PRO 7 1HB PRO 7 -7.617 -4.419 15.770
47 2HB PRO 7 2HB PRO 7 -8.577 -5.725 16.462
48 1HG PRO 7 1HG PRO 7 -9.223 -2.934 16.422
49 2HG PRO 7 2HG PRO 7 -10.109 -4.198 17.266
50 1HD PRO 7 1HD PRO 7 -8.466 -2.111 18.448
51 2HD PRO 7 2HD PRO 7 -9.342 -3.397 19.290
52 H CYS 8 H CYS 8 -6.083 -2.954 16.498
53 HA CYS 8 HA CYS 8 -3.996 -4.652 15.371
54 1HB CYS 8 2HB CYS 8 -5.818 -3.103 14.186
55 2HB CYS 8 1HB CYS 8 -4.540 -1.900 14.270
56 H PHE 9 H PHE 9 -3.831 -1.132 15.686
57 HA PHE 9 HA PHE 9 -1.661 -0.152 15.797
58 1HB PHE 9 1HB PHE 9 -3.374 0.464 17.346
59 2HB PHE 9 2HB PHE 9 -2.845 -0.752 18.522
60 HD1 PHE 9 HD1 PHE 9 -2.390 0.838 20.359
61 HD2 PHE 9 HD2 PHE 9 -0.406 1.229 16.495
62 HE1 PHE 9 HE1 PHE 9 -0.772 2.488 21.357
63 HE2 PHE 9 HE2 PHE 9 1.215 2.874 17.492
64 HZ PHE 9 HZ PHE 9 1.026 3.512 19.922
65 H ARG 10 H ARG 10 -1.218 -2.583 15.420
66 HA ARG 10 HA ARG 10 1.484 -2.802 16.330
67 1HB ARG 10 2HB ARG 10 -0.404 -3.749 18.112
68 2HB ARG 10 1HB ARG 10 0.396 -5.199 17.522
69 1HG ARG 10 1HG ARG 10 1.630 -2.624 18.556
70 2HG ARG 10 2HG ARG 10 1.551 -4.109 19.394
71 1HD ARG 10 1HD ARG 10 3.293 -3.463 16.973
72 2HD ARG 10 2HD ARG 10 3.839 -4.060 18.550
73 HE ARG 10 HE ARG 10 2.174 -6.035 17.472
74 1HH1 ARG 10 1HH1 ARG 10 5.205 -4.528 15.746
75 2HH1 ARG 10 2HH1 ARG 10 4.197 -5.457 14.686
76 1HH2 ARG 10 2HH2 ARG 10 4.097 -7.779 17.459
77 2HH2 ARG 10 1HH2 ARG 10 5.616 -7.182 16.881
78 H ALA 11 H ALA 11 -0.593 -3.652 14.122
79 HA ALA 11 HA ALA 11 -1.364 -6.082 15.047
80 1HB ALA 11 1HB ALA 11 -1.837 -4.771 12.489
81 2HB ALA 11 2HB ALA 11 -1.835 -6.524 12.283
82 3HB ALA 11 3HB ALA 11 -2.923 -5.797 13.454
83 H ASN 12 H ASN 12 -0.111 -7.266 11.745
84 HA ASN 12 HA ASN 12 1.888 -5.397 12.683
85 1HB ASN 12 1HB ASN 12 2.634 -7.982 13.093
86 2HB ASN 12 2HB ASN 12 3.092 -7.867 11.398
87 1HD2 ASN 12 1HD2 ASN 12 3.749 -4.830 11.689
88 2HD2 ASN 12 2HD2 ASN 12 5.384 -5.431 11.491
89 H CYS 13 H CYS 13 -0.227 -5.268 10.630
90 HA CYS 13 HA CYS 13 0.453 -4.416 8.367
91 1HB CYS 13 1HB CYS 13 0.257 -2.295 10.587
92 2HB CYS 13 2HB CYS 13 -0.140 -2.115 8.877
93 H GLU 14 H GLU 14 2.204 -4.648 7.462
94 HA GLU 14 HA GLU 14 4.765 -3.793 8.029
95 1HB GLU 14 1HB GLU 14 3.802 -4.825 5.835
96 2HB GLU 14 2HB GLU 14 3.569 -3.177 5.320
97 1HG GLU 14 1HG GLU 14 6.291 -3.743 6.414
98 2HG GLU 14 2HG GLU 14 5.899 -4.600 4.927
99 H TYR 15 H TYR 15 3.204 -1.478 5.693
100 HA TYR 15 HA TYR 15 3.238 0.669 7.493
101 1HB TYR 15 2HB TYR 15 2.444 0.592 5.038
102 2HB TYR 15 1HB TYR 15 0.860 0.145 5.653
103 HD1 TYR 15 HD1 TYR 15 -0.546 1.867 6.769
104 HD2 TYR 15 HD2 TYR 15 3.588 2.720 5.673
105 HE1 TYR 15 HE1 TYR 15 -0.930 4.309 7.231
106 HE2 TYR 15 HE2 TYR 15 3.206 5.165 6.132
107 HH TYR 15 HH TYR 15 0.213 6.340 7.631
108 H GLN 16 H GLN 16 0.161 0.500 7.191
109 HA GLN 16 HA GLN 16 0.017 -0.307 10.064
110 1HB GLN 16 1HB GLN 16 0.184 2.218 9.223
111 2HB GLN 16 2HB GLN 16 -1.567 2.048 9.065
112 1HG GLN 16 1HG GLN 16 -1.776 1.793 11.468
113 2HG GLN 16 2HG GLN 16 -0.156 1.121 11.606
114 1HE2 GLN 16 1HE2 GLN 16 -1.959 4.129 10.859
115 2HE2 GLN 16 2HE2 GLN 16 -0.530 5.139 10.738
116 H CYS 17 H CYS 17 -2.236 0.588 10.588
117 HA CYS 17 HA CYS 17 -4.085 -1.385 9.340
118 1HB CYS 17 1HB CYS 17 -3.273 -1.203 11.962
119 2HB CYS 17 2HB CYS 17 -4.891 -0.529 12.059
120 H GLN 18 H GLN 18 -6.596 -0.997 9.664
121 HA GLN 18 HA GLN 18 -7.238 1.624 8.970
122 1HB GLN 18 2HB GLN 18 -8.484 -1.050 9.321
123 2HB GLN 18 1HB GLN 18 -9.521 0.234 9.865
124 1HG GLN 18 1HG GLN 18 -8.461 -0.206 7.054
125 2HG GLN 18 2HG GLN 18 -10.126 -0.078 7.591
126 1HE2 GLN 18 2HE2 GLN 18 -7.664 1.641 6.029
127 2HE2 GLN 18 1HE2 GLN 18 -7.520 3.033 7.084
128 HA PRO 19 HA PRO 19 -7.396 -1.280 11.662
129 1HB PRO 19 1HB PRO 19 -8.770 -0.937 14.262
130 2HB PRO 19 2HB PRO 19 -7.394 -1.950 13.866
131 1HG PRO 19 1HG PRO 19 -7.259 0.504 15.274
132 2HG PRO 19 2HG PRO 19 -5.882 -0.270 14.490
133 1HD PRO 19 1HD PRO 19 -7.312 2.167 13.649
134 2HD PRO 19 2HD PRO 19 -5.809 1.499 12.993
135 H LEU 20 H LEU 20 -8.921 -2.169 10.532
136 HA LEU 20 HA LEU 20 -10.296 -3.852 11.566
137 1HB LEU 20 1HB LEU 20 -11.242 -2.658 13.423
138 2HB LEU 20 2HB LEU 20 -12.009 -1.474 12.369
139 HG LEU 20 HG LEU 20 -13.183 -3.633 11.389
140 1HD1 LEU 20 1HD1 LEU 20 -11.975 -5.121 13.098
141 2HD1 LEU 20 2HD1 LEU 20 -12.896 -4.304 14.356
142 3HD1 LEU 20 3HD1 LEU 20 -13.735 -5.252 13.132
143 1HD2 LEU 20 1HD2 LEU 20 -14.476 -2.686 13.884
144 2HD2 LEU 20 2HD2 LEU 20 -13.963 -1.414 12.774
145 3HD2 LEU 20 3HD2 LEU 20 -15.069 -2.673 12.223
146 H ASN 21 H ASN 21 -11.640 -1.144 10.448
147 HA ASN 21 HA ASN 21 -14.076 -2.129 10.428
148 1HB ASN 21 1HB ASN 21 -13.084 0.376 9.361
149 2HB ASN 21 2HB ASN 21 -14.366 -0.193 8.271
150 1HD2 ASN 21 HD2 ASN 21 -15.839 1.526 8.982
151 H GLN 22 H GLN 22 -14.908 -3.815 9.615
152 HA GLN 22 HA GLN 22 -15.121 -5.583 8.136
153 1HB GLN 22 1HB GLN 22 -16.723 -4.952 6.339
154 2HB GLN 22 2HB GLN 22 -17.136 -4.169 7.845
155 1HG GLN 22 1HG GLN 22 -16.464 -2.034 7.088
156 2HG GLN 22 2HG GLN 22 -15.346 -2.690 5.896
157 1HE2 GLN 22 1HE2 GLN 22 -16.493 -4.188 4.196
158 2HE2 GLN 22 2HE2 GLN 22 -18.226 -4.047 3.969
159 H THR 23 H THR 23 -12.277 -3.860 7.269
160 HA THR 23 HA THR 23 -12.483 -6.582 6.346
161 HB THR 23 HB THR 23 -10.057 -5.908 7.939
162 HG1 THR 23 HG1 THR 23 -9.943 -4.032 7.201
163 1HG2 THR 23 1HG2 THR 23 -9.761 -7.814 6.549
164 2HG2 THR 23 2HG2 THR 23 -10.624 -7.086 5.194
165 3HG2 THR 23 3HG2 THR 23 -8.999 -6.536 5.603
166 H SER 24 H SER 24 -12.654 -4.935 9.181
167 HA SER 24 HA SER 24 -11.714 -5.135 11.124
168 1HB SER 24 1HB SER 24 -12.211 -7.029 12.577
169 2HB SER 24 2HB SER 24 -13.615 -6.541 11.620
170 HG SER 24 HG SER 24 -13.350 -8.760 11.648
171 H TYR 25 H TYR 25 -9.891 -5.913 12.118
172 HA TYR 25 HA TYR 25 -9.037 -4.328 10.102
173 1HB TYR 25 2HB TYR 25 -7.133 -3.687 11.643
174 2HB TYR 25 1HB TYR 25 -8.580 -4.030 12.577
175 HD1 TYR 25 HD1 TYR 25 -5.306 -5.531 11.429
176 HD2 TYR 25 HD2 TYR 25 -8.634 -5.750 14.249
177 HE1 TYR 25 HE1 TYR 25 -4.124 -7.350 12.687
178 HE2 TYR 25 HE2 TYR 25 -7.443 -7.564 15.511
179 HH TYR 25 HH TYR 25 -5.657 -9.284 15.085
180 H LEU 26 H LEU 26 -6.900 -3.966 9.245
181 HA LEU 26 HA LEU 26 -6.787 -6.389 7.625
182 1HB LEU 26 2HB LEU 26 -7.105 -4.894 5.781
183 2HB LEU 26 1HB LEU 26 -8.168 -4.454 7.137
184 HG LEU 26 HG LEU 26 -5.628 -2.922 6.655
185 1HD1 LEU 26 1HD1 LEU 26 -8.459 -2.288 5.756
186 2HD1 LEU 26 2HD1 LEU 26 -7.077 -1.198 5.663
187 3HD1 LEU 26 3HD1 LEU 26 -7.111 -2.662 4.681
188 1HD2 LEU 26 1HD2 LEU 26 -6.163 -2.550 8.818
189 2HD2 LEU 26 2HD2 LEU 26 -7.084 -1.311 7.954
190 3HD2 LEU 26 3HD2 LEU 26 -7.899 -2.781 8.546
191 H CYS 27 H CYS 27 -4.722 -5.047 5.762
192 HA CYS 27 HA CYS 27 -3.815 -3.228 7.804
193 1HB CYS 27 1HB CYS 27 -1.769 -4.918 6.381
194 2HB CYS 27 2HB CYS 27 -1.336 -3.373 7.128
195 H VAL 28 H VAL 28 -3.463 -1.286 7.136
196 HA VAL 28 HA VAL 28 -3.938 -0.703 4.323
197 HB VAL 28 HB VAL 28 -2.953 1.658 5.229
198 1HG1 VAL 28 1HG2 VAL 28 -5.826 0.804 5.797
199 2HG1 VAL 28 2HG2 VAL 28 -5.246 2.425 5.416
200 3HG1 VAL 28 3HG2 VAL 28 -5.217 1.166 4.182
201 1HG2 VAL 28 1HG1 VAL 28 -3.896 0.225 7.731
202 2HG2 VAL 28 2HG1 VAL 28 -2.457 1.219 7.468
203 3HG2 VAL 28 3HG1 VAL 28 -4.044 1.968 7.567
204 H CYS 29 H CYS 29 -2.013 -0.015 2.721
205 HA CYS 29 HA CYS 29 -0.160 1.369 4.459
206 1HB CYS 29 1HB CYS 29 -0.131 0.342 1.659
207 2HB CYS 29 2HB CYS 29 1.126 1.450 2.163
208 H ALA 30 H ALA 30 0.686 3.083 2.756
209 HA ALA 30 HA ALA 30 -0.880 5.311 2.561
210 1HB ALA 30 1HB ALA 30 0.871 6.358 1.465
211 2HB ALA 30 2HB ALA 30 1.698 4.865 1.913
212 3HB ALA 30 3HB ALA 30 1.057 5.062 0.282
213 H GLU 31 H GLU 31 -2.812 5.510 1.496
214 HA GLU 31 HA GLU 31 -3.354 2.966 1.177
215 1HB GLU 31 2HB GLU 31 -4.738 5.126 1.907
216 2HB GLU 31 1HB GLU 31 -5.541 4.862 0.383
217 1HG GLU 31 1HG GLU 31 -5.692 2.319 1.279
218 2HG GLU 31 2HG GLU 31 -5.543 3.108 2.846
219 H GLY 32 H GLY 32 -2.438 4.535 -1.349
220 1HA GLY 32 1HA GLY 32 -3.557 2.320 -3.029
221 2HA GLY 32 2HA GLY 32 -2.780 3.747 -3.781
222 H PHE 33 H PHE 33 -1.543 2.300 -0.796
223 HA PHE 33 HA PHE 33 0.290 0.541 -2.261
224 1HB PHE 33 2HB PHE 33 0.447 2.289 0.180
225 2HB PHE 33 1HB PHE 33 1.272 0.731 0.313
226 HD1 PHE 33 HD1 PHE 33 3.493 0.566 -0.346
227 HD2 PHE 33 HD2 PHE 33 0.919 3.566 -2.186
228 HE1 PHE 33 HE1 PHE 33 5.478 1.518 -1.568
229 HE2 PHE 33 HE2 PHE 33 2.904 4.529 -3.399
230 HZ PHE 33 HZ PHE 33 5.181 3.492 -3.103
231 H ALA 34 H ALA 34 0.056 -1.670 -1.792
232 HA ALA 34 HA ALA 34 -2.003 -2.633 -0.154
233 1HB ALA 34 1HB ALA 34 -3.928 -1.702 -1.006
234 2HB ALA 34 2HB ALA 34 -2.959 -0.755 -2.133
235 3HB ALA 34 3HB ALA 34 -3.557 -2.359 -2.592
236 HA PRO 35 HA PRO 35 -0.947 -6.141 -0.685
237 1HB PRO 35 1HB PRO 35 -3.027 -7.688 -2.058
238 2HB PRO 35 2HB PRO 35 -2.649 -7.649 -0.341
239 1HG PRO 35 1HG PRO 35 -4.898 -6.422 -1.618
240 2HG PRO 35 2HG PRO 35 -4.428 -6.259 0.069
241 1HD PRO 35 1HD PRO 35 -4.216 -4.242 -2.027
242 2HD PRO 35 2HD PRO 35 -3.786 -4.074 -0.316
243 H ILE 36 H ILE 36 0.548 -5.234 -2.346
244 HA ILE 36 HA ILE 36 1.209 -6.289 -4.646
245 HB ILE 36 HB ILE 36 2.919 -5.448 -3.232
246 1HG1 ILE 36 1HG1 ILE 36 3.596 -7.625 -4.619
247 2HG1 ILE 36 2HG1 ILE 36 4.700 -6.664 -3.676
248 1HG2 ILE 36 1HG2 ILE 36 2.027 -7.494 -1.200
249 2HG2 ILE 36 2HG2 ILE 36 3.575 -6.658 -1.057
250 3HG2 ILE 36 3HG2 ILE 36 2.065 -5.740 -1.090
251 1HD1 ILE 36 1HD1 ILE 36 4.823 -8.232 -1.960
252 2HD1 ILE 36 2HD1 ILE 36 3.158 -8.749 -2.242
253 3HD1 ILE 36 3HD1 ILE 36 4.444 -9.328 -3.312
254 HA PRO 37 HA PRO 37 1.217 -10.971 -4.974
255 1HB PRO 37 2HB PRO 37 4.109 -10.274 -5.048
256 2HB PRO 37 1HB PRO 37 3.225 -11.360 -6.120
257 1HG PRO 37 1HG PRO 37 3.927 -8.680 -6.746
258 2HG PRO 37 2HG PRO 37 2.716 -9.627 -7.604
259 1HD PRO 37 1HD PRO 37 2.218 -7.312 -5.987
260 2HD PRO 37 2HD PRO 37 1.005 -8.377 -6.688
261 H HIS 38 H HIS 38 1.457 -9.681 -2.045
262 HA HIS 38 HA HIS 38 0.468 -12.193 -2.035
263 1HB HIS 38 1HB HIS 38 1.928 -13.412 -0.365
264 2HB HIS 38 2HB HIS 38 2.422 -13.433 -2.064
265 HD1 HIS 38 HD1 HIS 38 4.741 -14.210 -0.407
266 HD2 HIS 38 HD2 HIS 38 3.660 -10.176 -0.992
267 HE1 HIS 38 HE1 HIS 38 6.813 -12.805 0.153
268 H GLU 39 H GLU 39 2.285 -11.550 0.540
269 HA GLU 39 HA GLU 39 0.450 -12.536 2.153
270 1HB GLU 39 2HB GLU 39 2.077 -10.202 3.230
271 2HB GLU 39 1HB GLU 39 1.403 -11.512 4.212
272 1HG GLU 39 1HG GLU 39 3.033 -12.652 2.086
273 2HG GLU 39 2HG GLU 39 3.965 -11.422 2.937
274 HA PRO 40 HA PRO 40 -2.964 -9.576 2.678
275 1HB PRO 40 1HB PRO 40 -3.801 -11.222 4.935
276 2HB PRO 40 2HB PRO 40 -4.606 -11.042 3.381
277 1HG PRO 40 1HG PRO 40 -3.115 -13.327 4.320
278 2HG PRO 40 2HG PRO 40 -3.871 -13.127 2.743
279 1HD PRO 40 1HD PRO 40 -1.032 -13.044 3.381
280 2HD PRO 40 2HD PRO 40 -1.782 -12.880 1.783
281 H HIS 41 H HIS 41 -0.293 -8.910 3.766
282 HA HIS 41 HA HIS 41 -2.213 -7.148 5.083
283 1HB HIS 41 2HB HIS 41 -0.148 -6.071 6.298
284 2HB HIS 41 1HB HIS 41 -0.802 -7.565 6.973
285 HD1 HIS 41 HD1 HIS 41 0.620 -9.834 5.348
286 HD2 HIS 41 HD2 HIS 41 2.414 -6.183 6.515
287 HE1 HIS 41 HE1 HIS 41 3.163 -10.213 5.255
288 H ARG 42 H ARG 42 -0.351 -7.575 2.562
289 HA ARG 42 HA ARG 42 1.415 -5.369 3.208
290 1HB ARG 42 1HB ARG 42 1.564 -7.348 0.914
291 2HB ARG 42 2HB ARG 42 2.493 -5.878 0.834
292 1HG ARG 42 2HG ARG 42 3.866 -6.358 2.578
293 2HG ARG 42 1HG ARG 42 2.658 -7.348 3.402
294 1HD ARG 42 2HD ARG 42 3.628 -9.246 2.430
295 2HD ARG 42 1HD ARG 42 3.373 -8.570 0.817
296 HE ARG 42 HE ARG 42 5.548 -7.517 0.985
297 1HH1 ARG 42 2HH1 ARG 42 5.797 -10.804 2.224
298 2HH1 ARG 42 1HH1 ARG 42 7.378 -10.180 1.892
299 1HH2 ARG 42 1HH2 ARG 42 5.850 -7.562 4.085
300 2HH2 ARG 42 2HH2 ARG 42 7.298 -8.511 4.036
301 H CYS 43 H CYS 43 1.876 -3.529 2.199
302 HA CYS 43 HA CYS 43 0.694 -3.085 -0.466
303 1HB CYS 43 2HB CYS 43 2.183 -0.969 -0.326
304 2HB CYS 43 1HB CYS 43 0.768 -1.148 0.696
305 H GLN 44 H GLN 44 2.028 -2.822 -2.369
306 HA GLN 44 HA GLN 44 4.646 -2.071 -1.968
307 1HB GLN 44 2HB GLN 44 4.396 -4.967 -1.983
308 2HB GLN 44 1HB GLN 44 5.210 -4.475 -3.456
309 1HG GLN 44 1HG GLN 44 7.135 -4.330 -2.233
310 2HG GLN 44 2HG GLN 44 6.449 -2.915 -1.443
311 1HE2 GLN 44 2HE2 GLN 44 5.944 -6.484 -1.337
312 2HE2 GLN 44 1HE2 GLN 44 6.723 -6.629 0.228
313 H MET 45 H MET 45 4.390 -0.580 -4.314
314 HA MET 45 HA MET 45 2.292 -0.610 -2.674
315 1HB MET 45 1HB MET 45 0.990 0.797 -4.554
316 2HB MET 45 2HB MET 45 2.438 1.417 -3.808
317 1HG MET 45 1HG MET 45 2.248 1.466 -6.423
318 2HG MET 45 2HG MET 45 3.777 0.992 -5.702
319 1HE MET 45 1HE MET 45 3.810 -1.257 -8.754
320 2HE MET 45 2HE MET 45 2.921 0.269 -8.775
321 3HE MET 45 3HE MET 45 4.461 0.152 -7.894
322 H PHE 46 H PHE 46 -0.346 -0.716 -3.292
323 HA PHE 46 HA PHE 46 -1.107 -2.716 -5.023
324 1HB PHE 46 2HB PHE 46 -2.787 -1.265 -4.058
325 2HB PHE 46 1HB PHE 46 -2.034 0.183 -4.668
326 HD1 PHE 46 HD1 PHE 46 -2.046 0.573 -7.263
327 HD2 PHE 46 HD2 PHE 46 -4.517 -2.398 -5.241
328 HE1 PHE 46 HE1 PHE 46 -3.603 0.522 -9.240
329 HE2 PHE 46 HE2 PHE 46 -6.075 -2.447 -7.219
330 HZ PHE 46 HZ PHE 46 -5.620 -0.985 -9.217
331 H CYS 47 H CYS 47 -0.012 -3.323 -6.863
332 HA CYS 47 HA CYS 47 -0.698 -1.266 -8.863
333 1HB CYS 47 2HB CYS 47 1.595 -1.182 -9.148
334 2HB CYS 47 1HB CYS 47 1.854 -2.869 -8.737
335 H ASN 48 H ASN 48 -2.738 -2.380 -8.835
336 HA ASN 48 HA ASN 48 -2.736 -5.177 -9.571
337 1HB ASN 48 2HB ASN 48 -4.597 -4.133 -8.201
338 2HB ASN 48 1HB ASN 48 -5.067 -3.170 -9.600
339 1HD2 ASN 48 HD2 ASN 48 -6.762 -6.395 -8.682
340 H GLN 49 H GLN 49 -2.953 -6.113 -11.539
341 HA GLN 49 HA GLN 49 -1.830 -4.178 -13.421
342 1HB GLN 49 2HB GLN 49 -1.922 -7.196 -13.844
343 2HB GLN 49 1HB GLN 49 -0.741 -6.069 -14.462
344 1HG GLN 49 2HG GLN 49 -0.260 -5.640 -11.847
345 2HG GLN 49 1HG GLN 49 -0.956 -7.249 -11.690
346 1HE2 GLN 49 1HE2 GLN 49 1.567 -5.343 -13.345
347 2HE2 GLN 49 2HE2 GLN 49 2.215 -6.683 -14.273
348 H THR 50 H THR 50 -3.533 -3.574 -15.598
349 HA THR 50 HA THR 50 -2.141 -6.140 -16.096
350 HB THR 50 HB THR 50 -4.082 -4.617 -17.866
351 HG1 THR 50 HG1 THR 50 -4.489 -6.947 -18.289
352 1HG2 THR 50 1HG2 THR 50 -3.110 -6.490 -19.614
353 2HG2 THR 50 2HG2 THR 50 -1.618 -6.055 -18.781
354 3HG2 THR 50 3HG2 THR 50 -2.563 -4.813 -19.604
355 H ALA 51 H ALA 51 0.083 -5.357 -15.861
356 HA ALA 51 HA ALA 51 0.932 -3.487 -14.776
357 1HB ALA 51 1HB ALA 51 2.262 -2.254 -16.361
358 2HB ALA 51 2HB ALA 51 0.996 -2.295 -17.589
359 3HB ALA 51 3HB ALA 51 1.923 -3.753 -17.229
360 H CYS 52 H CYS 52 -0.938 -1.972 -13.498
361 HA CYS 52 HA CYS 52 -0.120 0.416 -14.611
362 1HB CYS 52 2HB CYS 52 0.533 0.985 -12.422
363 2HB CYS 52 1HB CYS 52 -0.388 -0.459 -12.059
364 HA PRO 53 HA PRO 53 4.181 0.162 -15.450
365 1HB PRO 53 2HB PRO 53 3.996 2.299 -17.239
366 2HB PRO 53 1HB PRO 53 4.116 0.617 -17.756
367 1HG PRO 53 2HG PRO 53 1.755 2.420 -17.721
368 2HG PRO 53 1HG PRO 53 2.038 0.979 -18.714
369 1HD PRO 53 2HD PRO 53 0.363 1.160 -16.393
370 2HD PRO 53 1HD PRO 53 0.838 -0.340 -17.212
371 H ALA 54 H ALA 54 5.433 1.866 -14.538
372 HA ALA 54 HA ALA 54 5.333 4.467 -14.267
373 1HB ALA 54 1HB ALA 54 6.281 3.479 -16.993
374 2HB ALA 54 2HB ALA 54 7.125 3.027 -15.511
375 3HB ALA 54 3HB ALA 54 7.006 4.725 -15.976
376 H ASP 55 H ASP 55 5.548 5.414 -17.156
377 HA ASP 55 HA ASP 55 4.402 7.231 -17.932
378 1HB ASP 55 2HB ASP 55 3.659 5.666 -19.518
379 2HB ASP 55 1HB ASP 55 2.793 4.722 -18.322
380 H CYS 56 H CYS 56 4.430 7.461 -15.221
381 HA CYS 56 HA CYS 56 2.489 8.546 -13.981
382 1HB CYS 56 2HB CYS 56 4.394 10.544 -15.016
383 2HB CYS 56 1HB CYS 56 4.154 9.937 -13.364
384 H ASP 57 H ASP 57 2.818 11.427 -14.758
385 HA ASP 57 HA ASP 57 0.105 11.268 -15.737
386 1HB ASP 57 1HB ASP 57 1.464 12.909 -13.935
387 2HB ASP 57 2HB ASP 57 1.322 13.976 -15.324
388 HA PRO 58 HA PRO 58 1.436 14.319 -19.076
389 1HB PRO 58 2HB PRO 58 -0.716 16.147 -18.495
390 2HB PRO 58 1HB PRO 58 -0.528 15.130 -19.902
391 1HG PRO 58 2HG PRO 58 -2.352 14.756 -17.637
392 2HG PRO 58 1HG PRO 58 -2.338 13.920 -19.185
393 1HD PRO 58 2HD PRO 58 -1.453 12.873 -16.651
394 2HD PRO 58 1HD PRO 58 -1.312 12.082 -18.224
395 H ASN 59 H ASN 59 -0.280 15.858 -16.155
396 HA ASN 59 HA ASN 59 1.480 17.818 -17.329
397 1HB ASN 59 1HB ASN 59 -1.277 17.680 -16.868
398 2HB ASN 59 2HB ASN 59 -0.748 18.793 -15.593
399 1HD2 ASN 59 1HD2 ASN 59 -2.124 18.734 -18.290
400 2HD2 ASN 59 2HD2 ASN 59 -1.649 20.260 -19.032
401 H THR 60 H THR 60 0.835 16.499 -14.472
402 HA THR 60 HA THR 60 1.457 18.977 -12.983
403 HB THR 60 HB THR 60 -0.017 18.345 -11.279
404 HG1 THR 60 HG1 THR 60 -0.041 16.462 -10.428
405 1HG2 THR 60 1HG2 THR 60 -1.221 16.230 -13.006
406 2HG2 THR 60 2HG2 THR 60 -1.012 17.798 -13.789
407 3HG2 THR 60 3HG2 THR 60 -1.965 17.665 -12.311
408 H GLN 61 H GLN 61 3.716 17.092 -13.778
409 HA GLN 61 HA GLN 61 3.371 14.728 -12.692
410 1HB GLN 61 2HB GLN 61 5.843 14.275 -12.691
411 2HB GLN 61 1HB GLN 61 5.350 15.181 -14.102
412 1HG GLN 61 2HG GLN 61 5.950 17.307 -12.589
413 2HG GLN 61 1HG GLN 61 6.916 16.142 -11.691
414 1HE2 GLN 61 1HE2 GLN 61 8.636 17.621 -12.486
415 2HE2 GLN 61 2HE2 GLN 61 9.555 16.772 -13.715
416 H ALA 62 H ALA 62 2.317 15.974 -10.485
417 HA ALA 62 HA ALA 62 3.616 15.355 -8.261
418 1HB ALA 62 1HB ALA 62 1.006 15.600 -8.877
419 2HB ALA 62 2HB ALA 62 1.531 14.961 -7.318
420 3HB ALA 62 3HB ALA 62 1.032 13.858 -8.601
421 H SER 63 H SER 63 5.120 13.444 -10.028
422 HA SER 63 HA SER 63 3.679 10.966 -9.957
423 1HB SER 63 2HB SER 63 2.210 11.202 -11.819
424 2HB SER 63 1HB SER 63 2.164 12.847 -11.187
425 HG SER 63 HG SER 63 2.846 13.380 -13.015
426 H CYS 64 H CYS 64 6.694 10.881 -10.105
427 HA CYS 64 HA CYS 64 4.663 8.968 -11.019
428 1HB CYS 64 2HB CYS 64 7.351 9.026 -12.072
429 2HB CYS 64 1HB CYS 64 7.239 7.605 -11.055
430 H GLU 65 H GLU 65 3.896 7.824 -9.340
431 HA GLU 65 HA GLU 65 4.491 9.256 -7.040
432 1HB GLU 65 1HB GLU 65 2.295 8.265 -7.288
433 2HB GLU 65 2HB GLU 65 2.966 6.659 -7.407
434 1HG GLU 65 2HG GLU 65 2.138 6.775 -5.169
435 2HG GLU 65 1HG GLU 65 3.869 7.030 -4.981
436 H CYS 66 H CYS 66 4.626 5.996 -7.258
437 HA CYS 66 HA CYS 66 5.390 5.773 -4.699
438 1HB CYS 66 1HB CYS 66 5.458 3.241 -6.202
439 2HB CYS 66 2HB CYS 66 4.306 3.818 -4.993
440 HA PRO 67 HA PRO 67 9.398 5.992 -4.288
441 1HB PRO 67 1HB PRO 67 9.020 8.765 -5.173
442 2HB PRO 67 2HB PRO 67 10.492 7.770 -5.217
443 1HG PRO 67 2HG PRO 67 8.783 8.473 -7.437
444 2HG PRO 67 1HG PRO 67 10.213 7.450 -7.476
445 1HD PRO 67 2HD PRO 67 7.474 6.587 -7.763
446 2HD PRO 67 1HD PRO 67 8.909 5.564 -7.688
447 H GLU 68 H GLU 68 9.093 8.204 -2.551
448 HA GLU 68 HA GLU 68 8.964 5.986 -1.320
449 1HB GLU 68 2HB GLU 68 7.705 7.137 0.723
450 2HB GLU 68 1HB GLU 68 9.247 7.768 0.195
451 1HG GLU 68 2HG GLU 68 8.076 9.499 -1.191
452 2HG GLU 68 1HG GLU 68 6.520 8.863 -0.664
453 H GLY 69 H GLY 69 6.731 4.877 -3.102
454 1HA GLY 69 2HA GLY 69 7.620 3.791 -0.485
455 2HA GLY 69 1HA GLY 69 7.138 2.798 -1.897
456 H TYR 70 H TYR 70 8.547 4.438 -3.898
457 HA TYR 70 HA TYR 70 9.533 2.664 -5.069
458 1HB TYR 70 2HB TYR 70 11.848 3.300 -5.397
459 2HB TYR 70 1HB TYR 70 10.957 4.769 -5.041
460 HD1 TYR 70 HD1 TYR 70 13.667 2.555 -4.027
461 HD2 TYR 70 HD2 TYR 70 11.043 5.762 -2.666
462 HE1 TYR 70 HE1 TYR 70 15.214 2.997 -2.094
463 HE2 TYR 70 HE2 TYR 70 12.632 6.259 -0.779
464 HH TYR 70 HH TYR 70 15.240 5.819 -0.355
465 H ILE 71 H ILE 71 9.822 -0.016 -4.239
466 HA ILE 71 HA ILE 71 12.342 1.370 -4.943
467 HB ILE 71 HB ILE 71 11.870 -1.502 -4.131
468 1HG1 ILE 71 1HG1 ILE 71 14.228 -0.988 -3.089
469 2HG1 ILE 71 2HG1 ILE 71 13.805 0.680 -3.374
470 1HG2 ILE 71 1HG2 ILE 71 13.024 -2.199 -5.978
471 2HG2 ILE 71 2HG2 ILE 71 14.438 -1.651 -5.076
472 3HG2 ILE 71 3HG2 ILE 71 13.704 -0.602 -6.292
473 1HD1 ILE 71 1HD1 ILE 71 12.757 -1.187 -1.328
474 2HD1 ILE 71 2HD1 ILE 71 11.477 -0.324 -2.180
475 3HD1 ILE 71 3HD1 ILE 71 12.742 0.576 -1.341
476 H LEU 72 H LEU 72 10.241 1.875 -6.562
477 HA LEU 72 HA LEU 72 10.283 1.543 -9.015
478 1HB LEU 72 2HB LEU 72 11.575 3.571 -7.560
479 2HB LEU 72 1HB LEU 72 12.771 3.083 -8.732
480 HG LEU 72 HG LEU 72 11.187 3.316 -10.569
481 1HD1 LEU 72 1HD2 LEU 72 9.155 4.863 -9.569
482 2HD1 LEU 72 2HD2 LEU 72 9.425 3.700 -8.253
483 3HD1 LEU 72 3HD2 LEU 72 9.051 3.107 -9.877
484 1HD2 LEU 72 1HD1 LEU 72 12.242 5.510 -8.915
485 2HD2 LEU 72 2HD1 LEU 72 10.815 5.997 -9.831
486 3HD2 LEU 72 3HD1 LEU 72 12.220 5.341 -10.672
487 H ASP 73 H ASP 73 11.214 -0.493 -10.391
488 HA ASP 73 HA ASP 73 11.601 1.713 -11.712
489 1HB ASP 73 2HB ASP 73 13.595 2.314 -10.385
490 2HB ASP 73 1HB ASP 73 14.382 0.799 -10.834
491 H ASP 74 H ASP 74 11.322 -1.311 -11.794
492 HA ASP 74 HA ASP 74 11.419 -2.153 -14.346
493 1HB ASP 74 2HB ASP 74 8.972 -1.171 -12.833
494 2HB ASP 74 1HB ASP 74 8.811 -1.964 -14.399
495 H GLY 75 H GLY 75 8.931 -0.765 -15.430
496 1HA GLY 75 1HA GLY 75 9.623 1.101 -17.240
497 2HA GLY 75 2HA GLY 75 8.197 1.311 -16.222
498 H PHE 76 H PHE 76 8.553 2.004 -14.334
499 HA PHE 76 HA PHE 76 10.496 3.723 -13.232
500 1HB PHE 76 2HB PHE 76 9.555 4.859 -15.605
501 2HB PHE 76 1HB PHE 76 8.575 5.685 -14.407
502 HD1 PHE 76 HD1 PHE 76 12.179 4.466 -14.373
503 HD2 PHE 76 HD2 PHE 76 9.432 7.835 -14.011
504 HE1 PHE 76 HE1 PHE 76 14.114 5.986 -13.845
505 HE2 PHE 76 HE2 PHE 76 11.365 9.357 -13.484
506 HZ PHE 76 HZ PHE 76 13.707 8.432 -13.397
507 H ILE 77 H ILE 77 8.885 2.187 -11.940
508 HA ILE 77 HA ILE 77 6.810 2.455 -13.594
509 HB ILE 77 HB ILE 77 7.875 0.468 -12.648
510 1HG1 ILE 77 1HG1 ILE 77 4.872 0.235 -12.816
511 2HG1 ILE 77 2HG1 ILE 77 5.927 0.391 -14.197
512 1HG2 ILE 77 1HG2 ILE 77 7.154 1.267 -10.236
513 2HG2 ILE 77 2HG2 ILE 77 7.410 -0.439 -10.625
514 3HG2 ILE 77 3HG2 ILE 77 5.763 0.218 -10.569
515 1HD1 ILE 77 1HD1 ILE 77 5.202 -2.030 -13.294
516 2HD1 ILE 77 2HD1 ILE 77 6.558 -1.784 -12.194
517 3HD1 ILE 77 3HD1 ILE 77 6.822 -1.766 -13.938
518 H CYS 78 H CYS 78 4.246 1.907 -12.715
519 HA CYS 78 HA CYS 78 3.231 1.265 -10.715
520 1HB CYS 78 2HB CYS 78 3.968 1.949 -8.586
521 2HB CYS 78 1HB CYS 78 5.449 2.055 -9.510
522 H THR 79 H THR 79 2.121 2.507 -12.660
523 HA THR 79 HA THR 79 -0.076 3.716 -11.511
524 HB THR 79 HB THR 79 1.186 5.682 -10.885
525 HG1 THR 79 HG1 THR 79 -0.018 6.195 -13.350
526 1HG2 THR 79 1HG2 THR 79 2.244 5.905 -13.744
527 2HG2 THR 79 2HG2 THR 79 3.169 5.152 -12.445
528 3HG2 THR 79 3HG2 THR 79 2.735 6.859 -12.345
529 H ASP 80 H ASP 80 0.273 1.846 -13.843
530 HA ASP 80 HA ASP 80 -1.825 1.677 -14.831
531 1HB ASP 80 2HB ASP 80 -2.345 0.940 -12.669
532 2HB ASP 80 1HB ASP 80 -1.811 2.450 -11.923
533 H ILE 81 H ILE 81 -1.204 4.066 -16.234
534 HA ILE 81 HA ILE 81 -3.442 5.457 -16.330
535 HB ILE 81 HB ILE 81 -1.793 5.311 -18.140
536 1HG1 ILE 81 2HG1 ILE 81 -4.468 5.904 -18.411
537 2HG1 ILE 81 1HG1 ILE 81 -3.219 6.276 -19.573
538 1HG2 ILE 81 1HG2 ILE 81 -2.137 3.482 -19.910
539 2HG2 ILE 81 2HG2 ILE 81 -3.109 2.630 -18.708
540 3HG2 ILE 81 3HG2 ILE 81 -1.407 2.962 -18.389
541 1HD1 ILE 81 1HD1 ILE 81 -3.741 4.364 -20.933
542 2HD1 ILE 81 2HD1 ILE 81 -5.314 5.000 -20.455
543 3HD1 ILE 81 3HD1 ILE 81 -4.651 3.582 -19.642
544 H ASP 82 H ASP 82 -4.153 2.759 -15.065
545 HA ASP 82 HA ASP 82 -4.581 1.036 -17.262
546 1HB ASP 82 1HB ASP 82 -4.201 0.357 -14.763
547 2HB ASP 82 2HB ASP 82 -5.937 0.571 -14.554
548 H GLU 83 H GLU 83 -7.185 2.468 -15.081
549 HA GLU 83 HA GLU 83 -8.611 0.202 -15.661
550 1HB GLU 83 1HB GLU 83 -9.085 2.568 -14.204
551 2HB GLU 83 2HB GLU 83 -10.402 2.551 -15.353
552 1HG GLU 83 1HG GLU 83 -9.711 0.125 -13.626
553 2HG GLU 83 2HG GLU 83 -10.872 1.352 -13.131
554 H1 NAG 121 H1 ASN 21 -15.710 1.878 11.908
555 H2 NAG 121 H2 ASN 21 -14.079 3.290 9.865
556 H3 NAG 121 H3 ASN 21 -14.230 5.454 11.326
557 H4 NAG 121 H4 ASN 21 -16.603 5.911 12.063
558 H5 NAG 121 H5 ASN 21 -17.382 3.262 12.740
559 1H6 NAG 121 1H6 ASN 21 -18.550 5.201 10.680
560 2H6 NAG 121 2H6 ASN 21 -18.941 5.171 12.399
561 1H8 NAG 121 1H8 ASN 21 -12.096 1.102 11.955
562 2H8 NAG 121 2H8 ASN 21 -11.598 1.509 10.301
563 3H8 NAG 121 3H8 ASN 21 -10.545 1.920 11.669
564 HN2 NAG 121 HN2 ASN 21 -13.824 2.816 12.753
565 HO4 NAG 121 HO4 ASN 21 -16.101 5.271 13.948
566 HO3 NAG 121 HO3 ASN 21 -15.953 6.160 9.988
567 HO6 NAG 121 H6 ASN 21 -20.350 4.060 10.917
568 H1 NAG 148 H1 ASN 48 -3.880 -6.038 -8.153
569 H2 NAG 148 H2 ASN 48 -6.241 -6.454 -6.472
570 H3 NAG 148 H3 ASN 48 -4.693 -7.671 -4.718
571 H4 NAG 148 H4 ASN 48 -3.648 -9.700 -6.034
572 H5 NAG 148 H5 ASN 48 -2.502 -7.764 -7.922
573 1H6 NAG 148 1H6 ASN 48 -3.278 -10.653 -7.823
574 2H6 NAG 148 2H6 ASN 48 -1.841 -9.900 -8.516
575 1H8 NAG 148 1H8 ASN 48 -2.945 -3.611 -4.703
576 2H8 NAG 148 2H8 ASN 48 -3.303 -4.996 -3.656
577 3H8 NAG 148 3H8 ASN 48 -1.687 -4.815 -4.370
578 HN2 NAG 148 HN2 ASN 48 -5.076 -4.680 -5.713
579 HO4 NAG 148 HO4 ASN 48 -1.705 -8.212 -6.141
580 HO3 NAG 148 HO3 ASN 48 -5.548 -9.688 -5.781
581 HO6 NAG 148 H6 ASN 48 -3.149 -10.709 -10.086
Start of MODEL 2
1 1H HIS 1 1H HIS 1 1.557 -11.428 27.374
2 2H HIS 1 2H HIS 1 2.538 -12.733 27.843
3 3H HIS 1 3H HIS 1 2.009 -11.609 29.001
4 HA HIS 1 HA HIS 1 4.028 -10.830 28.727
5 1HB HIS 1 1HB HIS 1 3.845 -12.176 26.051
6 2HB HIS 1 2HB HIS 1 4.923 -10.802 26.152
7 HD2 HIS 1 HD2 HIS 1 4.351 -13.502 28.898
8 HE1 HIS 1 HE1 HIS 1 8.508 -13.636 27.831
9 HE2 HIS 1 HE2 HIS 1 6.736 -14.600 29.431
10 H MET 2 H MET 2 1.539 -10.212 26.213
11 HA MET 2 HA MET 2 3.480 -8.401 25.069
12 1HB MET 2 2HB MET 2 0.724 -9.388 24.252
13 2HB MET 2 1HB MET 2 1.406 -8.004 23.428
14 1HG MET 2 1HG MET 2 3.332 -10.244 23.675
15 2HG MET 2 2HG MET 2 1.887 -10.687 22.783
16 1HE MET 2 1HE MET 2 3.420 -10.950 20.304
17 2HE MET 2 2HE MET 2 4.461 -10.982 21.738
18 3HE MET 2 3HE MET 2 4.892 -9.964 20.352
19 H GLU 3 H GLU 3 3.230 -5.976 24.879
20 HA GLU 3 HA GLU 3 1.653 -4.208 24.744
21 1HB GLU 3 1HB GLU 3 0.885 -6.262 22.617
22 2HB GLU 3 2HB GLU 3 0.737 -4.512 22.477
23 1HG GLU 3 1HG GLU 3 3.245 -6.214 22.427
24 2HG GLU 3 2HG GLU 3 2.760 -4.921 21.334
25 HA PRO 4 HA PRO 4 -2.554 -4.921 26.123
26 1HB PRO 4 1HB PRO 4 -3.559 -2.539 24.957
27 2HB PRO 4 2HB PRO 4 -2.927 -2.684 26.594
28 1HG PRO 4 1HG PRO 4 -1.673 -1.453 24.220
29 2HG PRO 4 2HG PRO 4 -1.234 -1.262 25.924
30 1HD PRO 4 2HD PRO 4 0.157 -2.814 23.958
31 2HD PRO 4 1HD PRO 4 0.472 -2.806 25.701
32 H VAL 5 H VAL 5 -1.797 -6.255 23.774
33 HA VAL 5 HA VAL 5 -1.624 -5.025 21.536
34 HB VAL 5 HB VAL 5 -3.348 -7.492 21.478
35 1HG1 VAL 5 1HG2 VAL 5 -1.448 -7.873 19.530
36 2HG1 VAL 5 2HG2 VAL 5 -3.027 -7.144 19.242
37 3HG1 VAL 5 3HG2 VAL 5 -1.616 -6.117 19.499
38 1HG2 VAL 5 1HG1 VAL 5 -0.590 -8.281 21.368
39 2HG2 VAL 5 2HG1 VAL 5 -0.808 -7.291 22.808
40 3HG2 VAL 5 3HG1 VAL 5 -1.805 -8.722 22.565
41 H ASP 6 H ASP 6 -2.612 -3.698 20.300
42 HA ASP 6 HA ASP 6 -4.902 -2.776 19.630
43 1HB ASP 6 1HB ASP 6 -4.374 -3.083 17.298
44 2HB ASP 6 2HB ASP 6 -2.826 -3.234 18.092
45 HA PRO 7 HA PRO 7 -7.553 -5.280 17.373
46 1HB PRO 7 1HB PRO 7 -8.935 -2.754 17.115
47 2HB PRO 7 2HB PRO 7 -9.616 -4.299 17.603
48 1HG PRO 7 1HG PRO 7 -9.072 -1.992 19.282
49 2HG PRO 7 2HG PRO 7 -9.813 -3.516 19.754
50 1HD PRO 7 1HD PRO 7 -7.120 -2.599 20.356
51 2HD PRO 7 2HD PRO 7 -7.867 -4.131 20.836
52 H CYS 8 H CYS 8 -7.401 -1.720 17.276
53 HA CYS 8 HA CYS 8 -5.320 -1.953 15.215
54 1HB CYS 8 2HB CYS 8 -7.587 -0.465 15.275
55 2HB CYS 8 1HB CYS 8 -6.497 0.693 16.038
56 H PHE 9 H PHE 9 -5.469 -1.486 18.528
57 HA PHE 9 HA PHE 9 -4.380 0.816 19.176
58 1HB PHE 9 1HB PHE 9 -4.927 -1.090 20.743
59 2HB PHE 9 2HB PHE 9 -3.318 -1.740 20.405
60 HD1 PHE 9 HD1 PHE 9 -5.086 1.276 21.791
61 HD2 PHE 9 HD2 PHE 9 -1.344 -0.939 21.479
62 HE1 PHE 9 HE1 PHE 9 -4.066 2.756 23.557
63 HE2 PHE 9 HE2 PHE 9 -0.321 0.537 23.241
64 HZ PHE 9 HZ PHE 9 -1.681 2.387 24.280
65 H ARG 10 H ARG 10 -2.570 -1.830 18.806
66 HA ARG 10 HA ARG 10 -0.051 -0.317 18.783
67 1HB ARG 10 2HB ARG 10 -0.732 -2.733 19.882
68 2HB ARG 10 1HB ARG 10 0.456 -3.146 18.648
69 1HG ARG 10 1HG ARG 10 0.800 -1.837 21.249
70 2HG ARG 10 2HG ARG 10 1.934 -2.576 20.143
71 1HD ARG 10 1HD ARG 10 1.267 0.355 20.114
72 2HD ARG 10 2HD ARG 10 2.809 -0.411 20.533
73 HE ARG 10 HE ARG 10 1.646 -0.319 17.813
74 1HH1 ARG 10 1HH1 ARG 10 4.650 -0.072 19.919
75 2HH1 ARG 10 2HH1 ARG 10 5.104 0.740 18.458
76 1HH2 ARG 10 1HH2 ARG 10 3.411 -1.639 16.527
77 2HH2 ARG 10 2HH2 ARG 10 4.870 -1.961 17.403
78 H ALA 11 H ALA 11 -1.946 -0.970 16.480
79 HA ALA 11 HA ALA 11 -1.079 -3.012 14.963
80 1HB ALA 11 1HB ALA 11 -3.126 -1.423 14.560
81 2HB ALA 11 2HB ALA 11 -2.062 -0.543 13.465
82 3HB ALA 11 3HB ALA 11 -2.452 -2.236 13.150
83 H ASN 12 H ASN 12 0.782 -3.568 14.021
84 HA ASN 12 HA ASN 12 2.685 -1.404 13.585
85 1HB ASN 12 1HB ASN 12 2.955 -4.454 13.317
86 2HB ASN 12 2HB ASN 12 4.298 -3.350 13.044
87 1HD2 ASN 12 2HD2 ASN 12 1.694 -3.309 15.687
88 2HD2 ASN 12 1HD2 ASN 12 2.660 -4.525 16.501
89 H CYS 13 H CYS 13 0.299 -1.797 11.754
90 HA CYS 13 HA CYS 13 0.781 -1.378 9.279
91 1HB CYS 13 1HB CYS 13 0.468 1.128 11.027
92 2HB CYS 13 2HB CYS 13 -0.218 0.777 9.436
93 H GLU 14 H GLU 14 2.583 -1.637 8.418
94 HA GLU 14 HA GLU 14 4.921 -0.134 8.621
95 1HB GLU 14 1HB GLU 14 5.091 -1.638 6.896
96 2HB GLU 14 2HB GLU 14 3.499 -1.330 6.249
97 1HG GLU 14 1HG GLU 14 5.427 0.969 6.068
98 2HG GLU 14 2HG GLU 14 5.831 -0.438 5.097
99 H TYR 15 H TYR 15 2.292 0.864 6.299
100 HA TYR 15 HA TYR 15 2.487 3.566 7.304
101 1HB TYR 15 2HB TYR 15 1.264 2.651 5.133
102 2HB TYR 15 1HB TYR 15 -0.086 2.398 6.231
103 HD1 TYR 15 HD1 TYR 15 -1.619 4.163 6.536
104 HD2 TYR 15 HD2 TYR 15 2.469 5.057 5.313
105 HE1 TYR 15 HE1 TYR 15 -2.210 6.603 6.355
106 HE2 TYR 15 HE2 TYR 15 1.880 7.496 5.121
107 HH TYR 15 HH TYR 15 0.220 9.044 5.301
108 H GLN 16 H GLN 16 -0.546 3.320 7.653
109 HA GLN 16 HA GLN 16 -0.169 3.035 10.569
110 1HB GLN 16 2HB GLN 16 -0.884 5.186 8.875
111 2HB GLN 16 1HB GLN 16 -2.357 4.827 9.705
112 1HG GLN 16 1HG GLN 16 -1.140 4.904 11.916
113 2HG GLN 16 2HG GLN 16 0.361 5.246 11.073
114 1HE2 GLN 16 1HE2 GLN 16 0.334 7.709 9.805
115 2HE2 GLN 16 2HE2 GLN 16 -1.321 7.770 9.227
116 H CYS 17 H CYS 17 -2.493 3.759 11.236
117 HA CYS 17 HA CYS 17 -3.827 1.094 11.213
118 1HB CYS 17 1HB CYS 17 -3.013 1.204 13.341
119 2HB CYS 17 2HB CYS 17 -2.961 2.953 13.352
120 H GLN 18 H GLN 18 -6.056 0.860 11.029
121 HA GLN 18 HA GLN 18 -7.696 3.251 11.284
122 1HB GLN 18 2HB GLN 18 -7.725 1.715 9.333
123 2HB GLN 18 1HB GLN 18 -8.404 0.470 10.326
124 1HG GLN 18 1HG GLN 18 -10.265 1.458 9.192
125 2HG GLN 18 2HG GLN 18 -10.357 2.069 10.835
126 1HE2 GLN 18 1HE2 GLN 18 -8.197 3.330 8.049
127 2HE2 GLN 18 2HE2 GLN 18 -8.022 4.660 9.176
128 HA PRO 19 HA PRO 19 -8.597 -0.683 11.932
129 1HB PRO 19 1HB PRO 19 -10.949 -1.789 12.926
130 2HB PRO 19 2HB PRO 19 -9.505 -1.594 13.921
131 1HG PRO 19 1HG PRO 19 -12.037 -0.119 14.099
132 2HG PRO 19 2HG PRO 19 -10.697 -0.175 15.247
133 1HD PRO 19 1HD PRO 19 -11.287 1.911 13.240
134 2HD PRO 19 2HD PRO 19 -10.086 1.951 14.545
135 H LEU 20 H LEU 20 -9.692 -0.683 9.211
136 HA LEU 20 HA LEU 20 -11.597 -1.723 8.767
137 1HB LEU 20 1HB LEU 20 -9.149 -3.213 8.757
138 2HB LEU 20 2HB LEU 20 -10.451 -4.276 9.206
139 HG LEU 20 HG LEU 20 -11.810 -3.115 7.364
140 1HD1 LEU 20 1HD1 LEU 20 -10.751 -1.881 5.680
141 2HD1 LEU 20 2HD1 LEU 20 -9.829 -1.373 7.095
142 3HD1 LEU 20 3HD1 LEU 20 -9.166 -2.587 6.000
143 1HD2 LEU 20 1HD2 LEU 20 -10.707 -4.621 5.552
144 2HD2 LEU 20 2HD2 LEU 20 -9.562 -5.090 6.806
145 3HD2 LEU 20 3HD2 LEU 20 -11.287 -5.414 7.014
146 H ASN 21 H ASN 21 -12.691 -1.577 9.882
147 HA ASN 21 HA ASN 21 -12.916 -1.814 12.610
148 1HB ASN 21 1HB ASN 21 -15.047 -0.539 12.652
149 2HB ASN 21 2HB ASN 21 -13.973 0.059 11.371
150 1HD2 ASN 21 HD2 ASN 21 -15.256 0.853 9.984
151 H GLN 22 H GLN 22 -14.717 -3.764 10.340
152 HA GLN 22 HA GLN 22 -16.416 -4.896 12.358
153 1HB GLN 22 1HB GLN 22 -16.864 -4.975 9.859
154 2HB GLN 22 2HB GLN 22 -15.567 -6.132 9.687
155 1HG GLN 22 1HG GLN 22 -17.221 -7.705 9.957
156 2HG GLN 22 2HG GLN 22 -17.081 -7.340 11.674
157 1HE2 GLN 22 1HE2 GLN 22 -19.466 -6.920 12.523
158 2HE2 GLN 22 2HE2 GLN 22 -20.220 -7.703 11.146
159 H THR 23 H THR 23 -14.069 -5.427 14.015
160 HA THR 23 HA THR 23 -12.750 -4.797 11.795
161 HB THR 23 HB THR 23 -10.630 -4.598 13.157
162 HG1 THR 23 HG1 THR 23 -11.277 -5.956 15.268
163 1HG2 THR 23 1HG2 THR 23 -12.907 -4.504 15.195
164 2HG2 THR 23 2HG2 THR 23 -11.409 -3.573 15.200
165 3HG2 THR 23 3HG2 THR 23 -12.653 -3.232 13.998
166 H SER 24 H SER 24 -11.772 -5.571 10.149
167 HA SER 24 HA SER 24 -10.165 -7.973 10.658
168 1HB SER 24 2HB SER 24 -10.808 -6.888 8.262
169 2HB SER 24 1HB SER 24 -9.409 -5.870 8.631
170 HG SER 24 HG SER 24 -9.008 -8.522 9.027
171 H TYR 25 H TYR 25 -10.222 -4.919 11.426
172 HA TYR 25 HA TYR 25 -9.031 -3.093 10.724
173 1HB TYR 25 2HB TYR 25 -7.474 -2.273 12.282
174 2HB TYR 25 1HB TYR 25 -8.671 -3.214 13.146
175 HD1 TYR 25 HD1 TYR 25 -5.137 -2.746 12.673
176 HD2 TYR 25 HD2 TYR 25 -8.135 -5.756 13.655
177 HE1 TYR 25 HE1 TYR 25 -3.337 -4.226 13.626
178 HE2 TYR 25 HE2 TYR 25 -6.338 -7.237 14.610
179 HH TYR 25 HH TYR 25 -4.065 -7.532 14.812
180 H LEU 26 H LEU 26 -6.757 -2.138 10.021
181 HA LEU 26 HA LEU 26 -6.224 -4.142 8.022
182 1HB LEU 26 2HB LEU 26 -6.622 -2.233 6.626
183 2HB LEU 26 1HB LEU 26 -7.745 -2.101 7.995
184 HG LEU 26 HG LEU 26 -5.303 -0.539 7.559
185 1HD1 LEU 26 1HD1 LEU 26 -7.367 0.191 6.445
186 2HD1 LEU 26 2HD1 LEU 26 -8.163 0.306 8.008
187 3HD1 LEU 26 3HD1 LEU 26 -6.797 1.372 7.615
188 1HD2 LEU 26 1HD2 LEU 26 -5.373 0.496 9.633
189 2HD2 LEU 26 2HD2 LEU 26 -6.726 -0.518 10.194
190 3HD2 LEU 26 3HD2 LEU 26 -5.151 -1.202 9.905
191 H CYS 27 H CYS 27 -4.000 -2.640 6.645
192 HA CYS 27 HA CYS 27 -3.620 -0.678 8.767
193 1HB CYS 27 1HB CYS 27 -1.295 -2.258 7.697
194 2HB CYS 27 2HB CYS 27 -1.057 -0.610 8.290
195 H VAL 28 H VAL 28 -3.398 1.243 8.065
196 HA VAL 28 HA VAL 28 -4.770 1.484 5.604
197 HB VAL 28 HB VAL 28 -3.573 4.031 6.008
198 1HG1 VAL 28 1HG2 VAL 28 -6.037 3.235 5.454
199 2HG1 VAL 28 2HG2 VAL 28 -6.264 3.297 7.200
200 3HG1 VAL 28 3HG2 VAL 28 -5.807 4.757 6.323
201 1HG2 VAL 28 1HG1 VAL 28 -4.085 2.673 8.657
202 2HG2 VAL 28 2HG1 VAL 28 -2.731 3.692 8.121
203 3HG2 VAL 28 3HG1 VAL 28 -4.306 4.408 8.461
204 H CYS 29 H CYS 29 -3.952 2.312 3.485
205 HA CYS 29 HA CYS 29 -1.099 2.927 3.593
206 1HB CYS 29 1HB CYS 29 -2.917 1.571 1.630
207 2HB CYS 29 2HB CYS 29 -1.265 1.986 1.211
208 H ALA 30 H ALA 30 -0.671 3.641 1.403
209 HA ALA 30 HA ALA 30 -0.943 6.345 1.554
210 1HB ALA 30 1HB ALA 30 0.650 4.661 -0.022
211 2HB ALA 30 2HB ALA 30 -0.080 5.777 -1.185
212 3HB ALA 30 3HB ALA 30 0.853 6.407 0.177
213 H GLU 31 H GLU 31 -3.885 5.864 0.960
214 HA GLU 31 HA GLU 31 -3.385 3.650 -0.354
215 1HB GLU 31 2HB GLU 31 -5.618 4.771 0.643
216 2HB GLU 31 1HB GLU 31 -6.000 4.972 -1.045
217 1HG GLU 31 1HG GLU 31 -5.444 2.427 -1.290
218 2HG GLU 31 2HG GLU 31 -5.468 2.379 0.471
219 H GLY 32 H GLY 32 -4.816 3.087 -2.643
220 1HA GLY 32 1HA GLY 32 -3.930 2.791 -4.773
221 2HA GLY 32 2HA GLY 32 -3.044 4.334 -4.590
222 H PHE 33 H PHE 33 -3.008 1.498 -2.394
223 HA PHE 33 HA PHE 33 -0.248 0.888 -2.810
224 1HB PHE 33 2HB PHE 33 -1.041 3.180 -1.044
225 2HB PHE 33 1HB PHE 33 0.040 1.997 -0.282
226 HD1 PHE 33 HD1 PHE 33 -0.307 4.406 -3.130
227 HD2 PHE 33 HD2 PHE 33 2.376 1.762 -0.930
228 HE1 PHE 33 HE1 PHE 33 1.677 5.469 -4.256
229 HE2 PHE 33 HE2 PHE 33 4.354 2.884 -1.984
230 HZ PHE 33 HZ PHE 33 4.010 4.748 -3.643
231 H ALA 34 H ALA 34 -0.492 -1.199 -2.398
232 HA ALA 34 HA ALA 34 -2.081 -1.871 -0.004
233 1HB ALA 34 1HB ALA 34 -3.808 -2.761 -1.271
234 2HB ALA 34 2HB ALA 34 -3.046 -2.079 -2.689
235 3HB ALA 34 3HB ALA 34 -2.673 -3.737 -2.210
236 HA PRO 35 HA PRO 35 0.382 -5.752 0.456
237 1HB PRO 35 1HB PRO 35 -1.904 -7.115 -0.934
238 2HB PRO 35 2HB PRO 35 -1.097 -7.569 0.555
239 1HG PRO 35 1HG PRO 35 -3.572 -6.254 0.436
240 2HG PRO 35 2HG PRO 35 -2.525 -6.276 1.850
241 1HD PRO 35 2HD PRO 35 -3.133 -4.001 0.120
242 2HD PRO 35 1HD PRO 35 -2.167 -4.007 1.600
243 H ILE 36 H ILE 36 1.610 -4.393 -1.651
244 HA ILE 36 HA ILE 36 2.697 -6.407 -3.034
245 HB ILE 36 HB ILE 36 3.965 -4.647 -2.092
246 1HG1 ILE 36 1HG1 ILE 36 4.954 -7.335 -2.013
247 2HG1 ILE 36 2HG1 ILE 36 5.790 -5.851 -2.375
248 1HG2 ILE 36 1HG2 ILE 36 4.490 -4.524 0.357
249 2HG2 ILE 36 2HG2 ILE 36 2.779 -4.409 -0.012
250 3HG2 ILE 36 3HG2 ILE 36 3.463 -5.935 0.602
251 1HD1 ILE 36 1HD1 ILE 36 5.274 -6.983 0.411
252 2HD1 ILE 36 2HD1 ILE 36 6.803 -7.063 -0.500
253 3HD1 ILE 36 3HD1 ILE 36 6.182 -5.506 0.067
254 HA PRO 37 HA PRO 37 2.691 -10.612 -1.001
255 1HB PRO 37 1HB PRO 37 5.583 -9.778 -0.933
256 2HB PRO 37 2HB PRO 37 4.910 -11.348 -1.330
257 1HG PRO 37 1HG PRO 37 5.650 -9.351 -3.206
258 2HG PRO 37 2HG PRO 37 4.583 -10.701 -3.574
259 1HD PRO 37 1HD PRO 37 3.845 -7.925 -3.524
260 2HD PRO 37 2HD PRO 37 2.749 -9.295 -3.687
261 H HIS 38 H HIS 38 2.995 -11.509 0.862
262 HA HIS 38 HA HIS 38 3.275 -11.808 3.046
263 1HB HIS 38 1HB HIS 38 5.399 -10.938 4.067
264 2HB HIS 38 2HB HIS 38 5.502 -12.040 2.693
265 HD1 HIS 38 HD1 HIS 38 5.131 -8.109 2.408
266 HD2 HIS 38 HD2 HIS 38 7.684 -11.361 1.616
267 HE1 HIS 38 HE1 HIS 38 7.299 -7.102 1.454
268 H GLU 39 H GLU 39 4.643 -8.934 3.573
269 HA GLU 39 HA GLU 39 4.016 -9.667 6.156
270 1HB GLU 39 2HB GLU 39 4.831 -6.813 5.550
271 2HB GLU 39 1HB GLU 39 5.271 -7.735 6.988
272 1HG GLU 39 2HG GLU 39 7.144 -8.633 5.878
273 2HG GLU 39 1HG GLU 39 6.213 -8.967 4.464
274 HA PRO 40 HA PRO 40 0.299 -7.407 4.716
275 1HB PRO 40 1HB PRO 40 -1.496 -8.146 6.894
276 2HB PRO 40 2HB PRO 40 -1.537 -8.633 5.212
277 1HG PRO 40 1HG PRO 40 -0.719 -10.228 7.447
278 2HG PRO 40 2HG PRO 40 -0.622 -10.676 5.749
279 1HD PRO 40 1HD PRO 40 1.561 -9.943 7.545
280 2HD PRO 40 2HD PRO 40 1.686 -10.513 5.881
281 H HIS 41 H HIS 41 1.964 -5.574 6.102
282 HA HIS 41 HA HIS 41 -0.182 -3.688 6.747
283 1HB HIS 41 2HB HIS 41 1.809 -2.083 6.846
284 2HB HIS 41 1HB HIS 41 1.653 -3.241 8.154
285 HD1 HIS 41 HD1 HIS 41 4.168 -2.792 5.048
286 HD2 HIS 41 HD2 HIS 41 3.326 -4.856 8.520
287 HE1 HIS 41 HE1 HIS 41 5.531 -5.027 5.034
288 H ARG 42 H ARG 42 2.439 -2.706 5.221
289 HA ARG 42 HA ARG 42 3.511 -3.943 3.568
290 1HB ARG 42 2HB ARG 42 0.759 -4.143 2.311
291 2HB ARG 42 1HB ARG 42 2.230 -4.951 1.778
292 1HG ARG 42 1HG ARG 42 2.329 -5.472 4.429
293 2HG ARG 42 2HG ARG 42 0.587 -5.586 4.033
294 1HD ARG 42 1HD ARG 42 2.619 -6.909 2.210
295 2HD ARG 42 2HD ARG 42 1.986 -7.725 3.644
296 HE ARG 42 HE ARG 42 0.044 -6.666 1.716
297 1HH1 ARG 42 1HH2 ARG 42 1.678 -9.253 0.928
298 2HH1 ARG 42 2HH2 ARG 42 0.469 -10.435 1.305
299 1HH2 ARG 42 2HH1 ARG 42 -0.928 -8.540 3.865
300 2HH2 ARG 42 1HH1 ARG 42 -1.254 -9.872 2.807
301 H CYS 43 H CYS 43 1.300 -1.832 2.762
302 HA CYS 43 HA CYS 43 1.218 -1.479 0.078
303 1HB CYS 43 2HB CYS 43 1.532 1.231 0.783
304 2HB CYS 43 1HB CYS 43 0.048 0.259 0.749
305 H GLN 44 H GLN 44 2.580 -1.635 -1.435
306 HA GLN 44 HA GLN 44 4.844 0.145 -1.333
307 1HB GLN 44 2HB GLN 44 5.045 -2.671 -0.516
308 2HB GLN 44 1HB GLN 44 6.060 -2.405 -1.912
309 1HG GLN 44 1HG GLN 44 7.222 -0.527 -0.738
310 2HG GLN 44 2HG GLN 44 6.168 -0.736 0.657
311 1HE2 GLN 44 1HE2 GLN 44 7.852 -2.948 -1.550
312 2HE2 GLN 44 2HE2 GLN 44 8.546 -3.985 -0.318
313 H MET 45 H MET 45 4.678 0.878 -3.811
314 HA MET 45 HA MET 45 2.129 0.566 -3.128
315 1HB MET 45 1HB MET 45 1.444 1.298 -5.534
316 2HB MET 45 2HB MET 45 2.557 2.325 -4.675
317 1HG MET 45 1HG MET 45 3.138 1.762 -7.125
318 2HG MET 45 2HG MET 45 4.433 1.607 -5.943
319 1HE MET 45 1HE MET 45 2.203 -0.707 -8.599
320 2HE MET 45 2HE MET 45 3.313 0.649 -8.797
321 3HE MET 45 3HE MET 45 3.878 -1.009 -9.076
322 H PHE 46 H PHE 46 0.161 -0.447 -3.946
323 HA PHE 46 HA PHE 46 0.654 -2.976 -5.291
324 1HB PHE 46 2HB PHE 46 -1.336 -2.223 -3.684
325 2HB PHE 46 1HB PHE 46 -2.076 -1.628 -5.161
326 HD1 PHE 46 HD1 PHE 46 -3.823 -3.104 -5.745
327 HD2 PHE 46 HD2 PHE 46 0.033 -4.710 -4.496
328 HE1 PHE 46 HE1 PHE 46 -4.643 -5.438 -6.220
329 HE2 PHE 46 HE2 PHE 46 -0.786 -7.046 -4.969
330 HZ PHE 46 HZ PHE 46 -3.125 -7.408 -5.829
331 H CYS 47 H CYS 47 1.639 -2.501 -7.411
332 HA CYS 47 HA CYS 47 -0.954 -2.419 -8.812
333 1HB CYS 47 2HB CYS 47 0.001 -1.852 -10.915
334 2HB CYS 47 1HB CYS 47 0.605 -0.684 -9.775
335 H ASN 48 H ASN 48 -0.542 -4.739 -10.933
336 HA ASN 48 HA ASN 48 -1.725 -4.796 -8.213
337 1HB ASN 48 2HB ASN 48 -2.746 -3.336 -10.235
338 2HB ASN 48 1HB ASN 48 -3.451 -4.874 -10.717
339 1HD2 ASN 48 HD2 ASN 48 -3.612 -2.200 -8.458
340 H GLN 49 H GLN 49 -0.472 -7.444 -8.439
341 HA GLN 49 HA GLN 49 0.771 -7.827 -10.369
342 1HB GLN 49 2HB GLN 49 -1.100 -9.709 -9.863
343 2HB GLN 49 1HB GLN 49 -1.728 -9.180 -11.408
344 1HG GLN 49 2HG GLN 49 -0.258 -10.707 -12.291
345 2HG GLN 49 1HG GLN 49 0.954 -9.459 -12.025
346 1HE2 GLN 49 1HE2 GLN 49 2.583 -11.148 -11.712
347 2HE2 GLN 49 2HE2 GLN 49 2.892 -11.128 -9.985
348 H THR 50 H THR 50 0.819 -5.542 -11.338
349 HA THR 50 HA THR 50 1.459 -5.128 -13.495
350 HB THR 50 HB THR 50 2.012 -7.687 -13.072
351 HG1 THR 50 HG1 THR 50 2.248 -7.679 -15.571
352 1HG2 THR 50 1HG2 THR 50 0.331 -8.281 -15.465
353 2HG2 THR 50 2HG2 THR 50 -0.576 -8.078 -13.965
354 3HG2 THR 50 3HG2 THR 50 0.693 -9.298 -14.071
355 H ALA 51 H ALA 51 -0.231 -6.851 -15.939
356 HA ALA 51 HA ALA 51 1.354 -4.718 -16.129
357 1HB ALA 51 1HB ALA 51 0.222 -4.179 -18.455
358 2HB ALA 51 2HB ALA 51 -0.852 -5.525 -18.073
359 3HB ALA 51 3HB ALA 51 0.893 -5.802 -18.231
360 H CYS 52 H CYS 52 -0.480 -3.390 -14.090
361 HA CYS 52 HA CYS 52 0.571 -1.162 -15.373
362 1HB CYS 52 2HB CYS 52 1.682 -0.677 -13.262
363 2HB CYS 52 1HB CYS 52 0.225 -1.540 -12.857
364 HA PRO 53 HA PRO 53 4.395 -1.057 -16.506
365 1HB PRO 53 2HB PRO 53 3.244 0.713 -18.411
366 2HB PRO 53 1HB PRO 53 4.289 -0.651 -18.793
367 1HG PRO 53 2HG PRO 53 1.368 -0.402 -19.118
368 2HG PRO 53 1HG PRO 53 2.457 -1.594 -19.837
369 1HD PRO 53 2HD PRO 53 0.633 -2.042 -17.679
370 2HD PRO 53 1HD PRO 53 1.912 -3.154 -18.201
371 H ALA 54 H ALA 54 4.826 1.237 -16.017
372 HA ALA 54 HA ALA 54 3.096 2.788 -14.714
373 1HB ALA 54 1HB ALA 54 4.591 4.444 -15.065
374 2HB ALA 54 2HB ALA 54 4.181 4.548 -16.774
375 3HB ALA 54 3HB ALA 54 5.406 3.394 -16.223
376 H ASP 55 H ASP 55 1.271 4.527 -15.434
377 HA ASP 55 HA ASP 55 2.270 5.158 -18.104
378 1HB ASP 55 2HB ASP 55 -0.087 3.931 -18.081
379 2HB ASP 55 1HB ASP 55 -0.707 5.473 -17.510
380 H CYS 56 H CYS 56 2.940 6.264 -15.449
381 HA CYS 56 HA CYS 56 1.345 7.877 -14.303
382 1HB CYS 56 1HB CYS 56 4.073 8.993 -14.628
383 2HB CYS 56 2HB CYS 56 3.213 8.403 -13.187
384 H ASP 57 H ASP 57 0.998 10.167 -14.185
385 HA ASP 57 HA ASP 57 0.963 11.519 -16.698
386 1HB ASP 57 2HB ASP 57 -0.521 12.113 -14.702
387 2HB ASP 57 1HB ASP 57 0.894 12.777 -13.895
388 HA PRO 58 HA PRO 58 5.241 12.707 -16.822
389 1HB PRO 58 2HB PRO 58 4.691 14.922 -18.600
390 2HB PRO 58 1HB PRO 58 5.337 13.343 -19.027
391 1HG PRO 58 2HG PRO 58 2.664 14.364 -19.532
392 2HG PRO 58 1HG PRO 58 3.331 12.810 -20.017
393 1HD PRO 58 2HD PRO 58 1.404 13.314 -17.906
394 2HD PRO 58 1HD PRO 58 2.095 11.754 -18.377
395 H ASN 59 H ASN 59 2.669 15.281 -16.565
396 HA ASN 59 HA ASN 59 4.659 17.188 -16.628
397 1HB ASN 59 1HB ASN 59 1.836 17.033 -16.824
398 2HB ASN 59 2HB ASN 59 2.087 18.021 -15.375
399 1HD2 ASN 59 1HD2 ASN 59 4.712 18.791 -16.632
400 2HD2 ASN 59 2HD2 ASN 59 4.249 20.375 -17.257
401 H THR 60 H THR 60 2.557 16.268 -14.374
402 HA THR 60 HA THR 60 3.785 17.987 -12.294
403 HB THR 60 HB THR 60 1.311 18.107 -13.186
404 HG1 THR 60 HG1 THR 60 1.632 19.636 -11.910
405 1HG2 THR 60 1HG2 THR 60 0.902 15.775 -12.172
406 2HG2 THR 60 2HG2 THR 60 -0.269 17.043 -11.740
407 3HG2 THR 60 3HG2 THR 60 1.009 16.565 -10.595
408 H GLN 61 H GLN 61 4.704 15.118 -12.570
409 HA GLN 61 HA GLN 61 2.576 13.556 -11.889
410 1HB GLN 61 1HB GLN 61 4.092 11.635 -11.878
411 2HB GLN 61 2HB GLN 61 4.717 12.786 -13.034
412 1HG GLN 61 2HG GLN 61 5.964 13.581 -10.643
413 2HG GLN 61 1HG GLN 61 5.939 11.825 -10.521
414 1HE2 GLN 61 1HE2 GLN 61 6.666 10.608 -12.562
415 2HE2 GLN 61 2HE2 GLN 61 8.349 11.093 -12.665
416 H ALA 62 H ALA 62 2.050 14.970 -9.587
417 HA ALA 62 HA ALA 62 2.426 13.403 -7.502
418 1HB ALA 62 1HB ALA 62 0.595 14.780 -7.140
419 2HB ALA 62 2HB ALA 62 -0.324 13.318 -7.504
420 3HB ALA 62 3HB ALA 62 -0.045 14.522 -8.763
421 H SER 63 H SER 63 2.809 11.634 -9.970
422 HA SER 63 HA SER 63 0.392 9.953 -9.707
423 1HB SER 63 2HB SER 63 0.572 12.152 -11.522
424 2HB SER 63 1HB SER 63 0.738 10.716 -12.532
425 HG SER 63 HG SER 63 -1.145 9.947 -11.653
426 H CYS 64 H CYS 64 3.399 9.588 -9.654
427 HA CYS 64 HA CYS 64 3.268 7.209 -11.400
428 1HB CYS 64 2HB CYS 64 4.829 9.151 -12.321
429 2HB CYS 64 1HB CYS 64 5.894 8.720 -11.012
430 H GLU 65 H GLU 65 2.733 6.005 -9.257
431 HA GLU 65 HA GLU 65 3.688 7.939 -7.341
432 1HB GLU 65 1HB GLU 65 1.308 6.622 -7.746
433 2HB GLU 65 2HB GLU 65 1.936 5.674 -6.419
434 1HG GLU 65 2HG GLU 65 1.273 7.279 -4.962
435 2HG GLU 65 1HG GLU 65 2.416 8.390 -5.708
436 H CYS 66 H CYS 66 5.116 5.377 -8.284
437 HA CYS 66 HA CYS 66 4.936 3.738 -6.039
438 1HB CYS 66 1HB CYS 66 6.106 3.043 -8.766
439 2HB CYS 66 2HB CYS 66 4.969 2.176 -7.774
440 HA PRO 67 HA PRO 67 6.791 2.183 -4.324
441 1HB PRO 67 2HB PRO 67 9.314 0.691 -4.712
442 2HB PRO 67 1HB PRO 67 7.673 0.072 -4.434
443 1HG PRO 67 2HG PRO 67 9.157 0.063 -6.884
444 2HG PRO 67 1HG PRO 67 7.488 -0.437 -6.661
445 1HD PRO 67 2HD PRO 67 8.458 1.999 -7.966
446 2HD PRO 67 1HD PRO 67 6.797 1.420 -7.834
447 H GLU 68 H GLU 68 9.296 1.556 -3.061
448 HA GLU 68 HA GLU 68 9.987 3.664 -1.662
449 1HB GLU 68 2HB GLU 68 12.510 2.539 -2.711
450 2HB GLU 68 1HB GLU 68 11.927 2.569 -1.069
451 1HG GLU 68 2HG GLU 68 10.589 0.557 -1.407
452 2HG GLU 68 1HG GLU 68 10.847 0.606 -3.149
453 H GLY 69 H GLY 69 11.131 3.037 -4.607
454 1HA GLY 69 1HA GLY 69 11.396 5.958 -5.236
455 2HA GLY 69 2HA GLY 69 12.555 4.823 -5.997
456 H TYR 70 H TYR 70 9.653 2.842 -6.865
457 HA TYR 70 HA TYR 70 12.278 2.482 -6.769
458 1HB TYR 70 2HB TYR 70 10.257 1.167 -8.120
459 2HB TYR 70 1HB TYR 70 11.255 1.667 -9.467
460 HD1 TYR 70 HD1 TYR 70 11.885 0.387 -5.943
461 HD2 TYR 70 HD2 TYR 70 12.759 0.013 -10.199
462 HE1 TYR 70 HE1 TYR 70 13.462 -1.511 -5.450
463 HE2 TYR 70 HE2 TYR 70 14.338 -1.886 -9.709
464 HH TYR 70 HH TYR 70 14.411 -3.699 -7.343
465 H ILE 71 H ILE 71 14.005 2.364 -8.586
466 HA ILE 71 HA ILE 71 13.631 4.632 -10.441
467 HB ILE 71 HB ILE 71 16.037 2.780 -10.244
468 1HG1 ILE 71 1HG1 ILE 71 15.676 3.779 -8.045
469 2HG1 ILE 71 2HG1 ILE 71 17.101 4.452 -8.799
470 1HG2 ILE 71 1HG2 ILE 71 17.246 4.702 -11.287
471 2HG2 ILE 71 2HG2 ILE 71 15.724 5.584 -11.403
472 3HG2 ILE 71 3HG2 ILE 71 15.951 4.096 -12.321
473 1HD1 ILE 71 1HD1 ILE 71 14.656 6.010 -9.431
474 2HD1 ILE 71 2HD1 ILE 71 16.216 6.573 -8.833
475 3HD1 ILE 71 3HD1 ILE 71 15.012 5.948 -7.705
476 H LEU 72 H LEU 72 12.208 1.580 -10.742
477 HA LEU 72 HA LEU 72 10.631 2.140 -12.346
478 1HB LEU 72 1HB LEU 72 10.159 3.797 -10.692
479 2HB LEU 72 2HB LEU 72 11.703 4.553 -10.912
480 HG LEU 72 HG LEU 72 10.005 4.686 -13.317
481 1HD1 LEU 72 1HD1 LEU 72 9.044 6.342 -10.963
482 2HD1 LEU 72 2HD1 LEU 72 8.345 4.756 -11.283
483 3HD1 LEU 72 3HD1 LEU 72 8.232 6.034 -12.496
484 1HD2 LEU 72 1HD2 LEU 72 10.576 7.233 -12.672
485 2HD2 LEU 72 2HD2 LEU 72 11.790 6.153 -13.387
486 3HD2 LEU 72 3HD2 LEU 72 11.766 6.429 -11.640
487 H ASP 73 H ASP 73 10.235 3.265 -14.687
488 HA ASP 73 HA ASP 73 12.709 2.365 -15.818
489 1HB ASP 73 2HB ASP 73 11.953 0.675 -13.850
490 2HB ASP 73 1HB ASP 73 10.903 0.031 -15.109
491 H ASP 74 H ASP 74 11.413 0.101 -17.316
492 HA ASP 74 HA ASP 74 9.585 -0.347 -18.701
493 1HB ASP 74 2HB ASP 74 8.473 0.521 -15.990
494 2HB ASP 74 1HB ASP 74 7.488 -0.298 -17.198
495 H GLY 75 H GLY 75 6.887 0.907 -18.177
496 1HA GLY 75 2HA GLY 75 7.054 3.346 -19.588
497 2HA GLY 75 1HA GLY 75 5.697 2.874 -18.531
498 H PHE 76 H PHE 76 8.094 2.640 -16.700
499 HA PHE 76 HA PHE 76 9.248 4.413 -15.266
500 1HB PHE 76 2HB PHE 76 6.540 5.715 -15.777
501 2HB PHE 76 1HB PHE 76 7.380 6.069 -14.295
502 HD1 PHE 76 HD1 PHE 76 9.498 5.294 -17.222
503 HD2 PHE 76 HD2 PHE 76 7.511 8.459 -14.976
504 HE1 PHE 76 HE1 PHE 76 10.896 7.016 -18.413
505 HE2 PHE 76 HE2 PHE 76 8.913 10.182 -16.158
506 HZ PHE 76 HZ PHE 76 10.604 9.461 -17.881
507 H ILE 77 H ILE 77 8.447 1.826 -14.684
508 HA ILE 77 HA ILE 77 5.815 1.918 -14.891
509 HB ILE 77 HB ILE 77 6.667 -0.076 -15.401
510 1HG1 ILE 77 1HG1 ILE 77 5.099 -0.420 -12.888
511 2HG1 ILE 77 2HG1 ILE 77 4.543 -0.546 -14.534
512 1HG2 ILE 77 1HG2 ILE 77 8.010 -1.500 -13.923
513 2HG2 ILE 77 2HG2 ILE 77 7.820 -0.323 -12.606
514 3HG2 ILE 77 3HG2 ILE 77 8.728 0.114 -14.059
515 1HD1 ILE 77 1HD1 ILE 77 4.756 -2.815 -13.658
516 2HD1 ILE 77 2HD1 ILE 77 6.404 -2.505 -13.108
517 3HD1 ILE 77 3HD1 ILE 77 6.049 -2.583 -14.836
518 H CYS 78 H CYS 78 4.017 1.253 -13.702
519 HA CYS 78 HA CYS 78 3.843 2.033 -10.974
520 1HB CYS 78 2HB CYS 78 3.880 4.194 -13.018
521 2HB CYS 78 1HB CYS 78 2.520 4.311 -11.915
522 H THR 79 H THR 79 1.826 3.049 -13.761
523 HA THR 79 HA THR 79 -0.139 1.027 -12.984
524 HB THR 79 HB THR 79 -0.366 3.956 -12.403
525 HG1 THR 79 HG1 THR 79 -0.557 1.730 -11.174
526 1HG2 THR 79 1HG2 THR 79 -2.957 3.708 -12.505
527 2HG2 THR 79 2HG2 THR 79 -2.671 2.384 -13.631
528 3HG2 THR 79 3HG2 THR 79 -2.128 4.011 -14.034
529 H ASP 80 H ASP 80 0.169 0.303 -15.692
530 HA ASP 80 HA ASP 80 -1.894 -0.402 -16.250
531 1HB ASP 80 1HB ASP 80 -1.336 -0.550 -13.581
532 2HB ASP 80 2HB ASP 80 -2.826 0.405 -13.487
533 H ILE 81 H ILE 81 -4.658 0.510 -15.215
534 HA ILE 81 HA ILE 81 -4.285 -0.033 -17.779
535 HB ILE 81 HB ILE 81 -6.648 1.630 -16.818
536 1HG1 ILE 81 2HG1 ILE 81 -5.807 -1.159 -16.299
537 2HG1 ILE 81 1HG1 ILE 81 -6.829 -0.102 -15.355
538 1HG2 ILE 81 1HG2 ILE 81 -6.581 1.423 -19.286
539 2HG2 ILE 81 2HG2 ILE 81 -7.920 0.489 -18.621
540 3HG2 ILE 81 3HG2 ILE 81 -6.450 -0.330 -19.149
541 1HD1 ILE 81 1HD1 ILE 81 -8.075 -2.088 -16.317
542 2HD1 ILE 81 2HD1 ILE 81 -7.741 -1.476 -17.937
543 3HD1 ILE 81 3HD1 ILE 81 -8.757 -0.546 -16.836
544 H ASP 82 H ASP 82 -4.187 0.916 -19.803
545 HA ASP 82 HA ASP 82 -3.347 3.532 -20.200
546 1HB ASP 82 2HB ASP 82 -3.605 1.704 -21.991
547 2HB ASP 82 1HB ASP 82 -5.332 2.046 -22.016
548 H GLU 83 H GLU 83 -4.622 5.352 -21.213
549 HA GLU 83 HA GLU 83 -7.504 5.065 -20.763
550 1HB GLU 83 1HB GLU 83 -5.814 7.408 -19.757
551 2HB GLU 83 2HB GLU 83 -7.542 7.550 -19.972
552 1HG GLU 83 1HG GLU 83 -7.820 5.536 -18.402
553 2HG GLU 83 2HG GLU 83 -6.093 5.638 -18.077
554 H1 NAG 121 H1 ASN 21 -17.332 0.970 8.817
555 H2 NAG 121 H2 ASN 21 -15.204 -0.741 7.571
556 H3 NAG 121 H3 ASN 21 -16.833 -0.782 5.474
557 H4 NAG 121 H4 ASN 21 -19.161 -1.394 6.175
558 H5 NAG 121 H5 ASN 21 -19.470 -0.029 8.591
559 1H6 NAG 121 1H6 ASN 21 -19.208 -2.944 8.955
560 2H6 NAG 121 2H6 ASN 21 -20.160 -2.533 7.529
561 1H8 NAG 121 1H8 ASN 21 -13.435 2.532 7.830
562 2H8 NAG 121 2H8 ASN 21 -14.110 1.069 8.571
563 3H8 NAG 121 3H8 ASN 21 -12.705 0.950 7.494
564 HN2 NAG 121 HN2 ASN 21 -16.567 1.731 6.678
565 HO4 NAG 121 HO4 ASN 21 -18.002 1.019 6.257
566 HO3 NAG 121 HO3 ASN 21 -17.343 -2.682 7.419
567 HO6 NAG 121 H6 ASN 21 -20.715 -0.997 9.675
568 H1 NAG 148 H1 ASN 48 -6.163 -3.208 -7.582
569 H2 NAG 148 H2 ASN 48 -4.821 -0.532 -7.783
570 H3 NAG 148 H3 ASN 48 -7.215 0.412 -7.095
571 H4 NAG 148 H4 ASN 48 -8.954 -0.518 -8.680
572 H5 NAG 148 H5 ASN 48 -8.169 -3.224 -8.756
573 1H6 NAG 148 1H6 ASN 48 -7.853 -1.762 -11.313
574 2H6 NAG 148 2H6 ASN 48 -9.358 -1.381 -10.475
575 1H8 NAG 148 1H8 ASN 48 -3.476 -0.358 -4.065
576 2H8 NAG 148 2H8 ASN 48 -5.022 -0.439 -3.199
577 3H8 NAG 148 3H8 ASN 48 -4.435 -1.850 -4.101
578 HN2 NAG 148 HN2 ASN 48 -6.041 -2.109 -5.682
579 HO4 NAG 148 HO4 ASN 48 -9.621 -1.495 -7.056
580 HO3 NAG 148 HO3 ASN 48 -6.928 1.434 -8.801
581 HO6 NAG 148 H6 ASN 48 -8.660 -4.013 -10.497
Start of MODEL 3
1 1H HIS 1 1H HIS 1 0.396 -11.290 28.657
2 2H HIS 1 2H HIS 1 -0.630 -12.039 27.530
3 3H HIS 1 3H HIS 1 0.968 -12.582 27.715
4 HA HIS 1 HA HIS 1 1.388 -10.046 27.198
5 1HB HIS 1 1HB HIS 1 1.548 -12.581 25.739
6 2HB HIS 1 2HB HIS 1 1.223 -11.262 24.637
7 HD2 HIS 1 HD2 HIS 1 2.998 -8.978 25.274
8 HE1 HIS 1 HE1 HIS 1 6.293 -11.606 26.096
9 HE2 HIS 1 HE2 HIS 1 5.656 -9.171 25.552
10 H MET 2 H MET 2 -0.043 -8.460 27.189
11 HA MET 2 HA MET 2 -2.285 -8.545 25.382
12 1HB MET 2 1HB MET 2 -2.312 -6.032 25.736
13 2HB MET 2 2HB MET 2 -2.308 -6.933 27.234
14 1HG MET 2 1HG MET 2 0.084 -6.530 27.561
15 2HG MET 2 2HG MET 2 0.243 -5.841 25.955
16 1HE MET 2 1HE MET 2 -0.190 -5.028 29.667
17 2HE MET 2 2HE MET 2 0.357 -3.378 29.322
18 3HE MET 2 3HE MET 2 1.223 -4.761 28.631
19 H GLU 3 H GLU 3 -1.252 -8.611 22.560
20 HA GLU 3 HA GLU 3 -3.149 -7.012 23.964
21 1HB GLU 3 1HB GLU 3 -1.101 -5.550 22.702
22 2HB GLU 3 2HB GLU 3 -2.428 -5.446 21.549
23 1HG GLU 3 1HG GLU 3 -3.602 -4.009 22.901
24 2HG GLU 3 2HG GLU 3 -3.352 -5.015 24.321
25 HA PRO 4 HA PRO 4 -5.818 -8.962 21.100
26 1HB PRO 4 1HB PRO 4 -7.865 -6.985 21.168
27 2HB PRO 4 2HB PRO 4 -7.744 -8.382 22.231
28 1HG PRO 4 1HG PRO 4 -7.154 -5.551 22.812
29 2HG PRO 4 2HG PRO 4 -7.391 -6.885 23.952
30 1HD PRO 4 1HD PRO 4 -4.912 -5.652 23.264
31 2HD PRO 4 2HD PRO 4 -5.117 -7.149 24.196
32 H VAL 5 H VAL 5 -3.857 -7.354 19.789
33 HA VAL 5 HA VAL 5 -3.857 -4.905 19.670
34 HB VAL 5 HB VAL 5 -4.065 -6.233 16.980
35 1HG1 VAL 5 1HG1 VAL 5 -3.322 -3.474 17.767
36 2HG1 VAL 5 2HG1 VAL 5 -2.214 -4.232 16.625
37 3HG1 VAL 5 3HG1 VAL 5 -3.930 -4.081 16.229
38 1HG2 VAL 5 1HG2 VAL 5 -1.902 -6.228 19.036
39 2HG2 VAL 5 2HG2 VAL 5 -2.281 -7.435 17.807
40 3HG2 VAL 5 3HG2 VAL 5 -1.372 -5.991 17.369
41 H ASP 6 H ASP 6 -4.954 -3.326 19.680
42 HA ASP 6 HA ASP 6 -7.616 -3.245 19.598
43 1HB ASP 6 2HB ASP 6 -5.601 -1.040 19.270
44 2HB ASP 6 1HB ASP 6 -7.308 -0.613 19.292
45 HA PRO 7 HA PRO 7 -8.015 -0.591 15.610
46 1HB PRO 7 1HB PRO 7 -8.701 1.464 17.571
47 2HB PRO 7 2HB PRO 7 -9.629 0.961 16.162
48 1HG PRO 7 1HG PRO 7 -10.102 0.309 18.941
49 2HG PRO 7 2HG PRO 7 -11.075 -0.161 17.529
50 1HD PRO 7 1HD PRO 7 -9.426 -1.875 19.142
51 2HD PRO 7 2HD PRO 7 -10.256 -2.312 17.638
52 H CYS 8 H CYS 8 -6.098 -1.488 16.288
53 HA CYS 8 HA CYS 8 -3.908 -0.995 15.641
54 1HB CYS 8 2HB CYS 8 -4.972 0.380 14.175
55 2HB CYS 8 1HB CYS 8 -5.591 1.473 15.388
56 H PHE 9 H PHE 9 -5.042 0.461 18.334
57 HA PHE 9 HA PHE 9 -3.082 1.751 19.644
58 1HB PHE 9 2HB PHE 9 -4.943 0.637 20.887
59 2HB PHE 9 1HB PHE 9 -4.067 -0.899 20.729
60 HD1 PHE 9 HD1 PHE 9 -1.705 -1.099 21.770
61 HD2 PHE 9 HD2 PHE 9 -4.467 2.153 22.675
62 HE1 PHE 9 HE1 PHE 9 -0.413 -0.587 23.868
63 HE2 PHE 9 HE2 PHE 9 -3.176 2.666 24.774
64 HZ PHE 9 HZ PHE 9 -1.148 1.297 25.370
65 H ARG 10 H ARG 10 -2.891 -1.284 18.580
66 HA ARG 10 HA ARG 10 -0.039 -1.633 19.432
67 1HB ARG 10 2HB ARG 10 -2.161 -3.358 19.848
68 2HB ARG 10 1HB ARG 10 -1.365 -4.111 18.456
69 1HG ARG 10 2HG ARG 10 0.753 -3.413 20.180
70 2HG ARG 10 1HG ARG 10 -0.492 -3.998 21.250
71 1HD ARG 10 1HD ARG 10 -0.352 -6.195 20.421
72 2HD ARG 10 2HD ARG 10 0.002 -5.646 18.771
73 HE ARG 10 HE ARG 10 2.037 -5.572 20.936
74 1HH1 ARG 10 2HH1 ARG 10 2.736 -8.153 19.188
75 2HH1 ARG 10 1HH1 ARG 10 1.721 -7.726 17.851
76 1HH2 ARG 10 1HH2 ARG 10 2.699 -4.603 17.786
77 2HH2 ARG 10 2HH2 ARG 10 4.102 -5.458 18.336
78 H ALA 11 H ALA 11 -1.472 -0.702 16.900
79 HA ALA 11 HA ALA 11 -1.077 -2.201 14.707
80 1HB ALA 11 1HB ALA 11 -0.624 0.781 15.031
81 2HB ALA 11 2HB ALA 11 -0.318 0.040 13.458
82 3HB ALA 11 3HB ALA 11 -1.922 -0.056 14.180
83 H ASN 12 H ASN 12 0.804 -2.740 13.134
84 HA ASN 12 HA ASN 12 2.167 -0.241 13.074
85 1HB ASN 12 1HB ASN 12 4.551 -1.373 12.916
86 2HB ASN 12 2HB ASN 12 3.864 -1.154 14.521
87 1HD2 ASN 12 2HD2 ASN 12 4.901 -3.852 12.226
88 2HD2 ASN 12 1HD2 ASN 12 3.250 -4.436 12.313
89 H CYS 13 H CYS 13 0.399 -1.581 11.030
90 HA CYS 13 HA CYS 13 1.130 -0.638 8.857
91 1HB CYS 13 1HB CYS 13 0.408 1.436 10.997
92 2HB CYS 13 2HB CYS 13 0.132 1.578 9.254
93 H GLU 14 H GLU 14 3.096 -0.630 8.185
94 HA GLU 14 HA GLU 14 5.258 0.933 8.907
95 1HB GLU 14 1HB GLU 14 4.723 -0.411 6.662
96 2HB GLU 14 2HB GLU 14 4.257 1.166 6.071
97 1HG GLU 14 1HG GLU 14 6.786 1.507 7.402
98 2HG GLU 14 2HG GLU 14 6.931 0.089 6.368
99 H TYR 15 H TYR 15 2.820 2.229 6.570
100 HA TYR 15 HA TYR 15 2.830 4.762 7.917
101 1HB TYR 15 2HB TYR 15 1.834 4.033 5.540
102 2HB TYR 15 1HB TYR 15 0.357 3.745 6.445
103 HD1 TYR 15 HD1 TYR 15 -1.124 5.527 5.883
104 HD2 TYR 15 HD2 TYR 15 3.042 6.416 6.827
105 HE1 TYR 15 HE1 TYR 15 -1.611 7.981 5.705
106 HE2 TYR 15 HE2 TYR 15 2.556 8.877 6.639
107 HH TYR 15 HH TYR 15 -0.206 10.147 5.227
108 H GLN 16 H GLN 16 -0.190 4.490 7.921
109 HA GLN 16 HA GLN 16 -0.251 3.405 10.711
110 1HB GLN 16 1HB GLN 16 -0.791 6.005 10.023
111 2HB GLN 16 2HB GLN 16 -2.417 5.326 10.003
112 1HG GLN 16 1HG GLN 16 -2.179 4.579 12.332
113 2HG GLN 16 2HG GLN 16 -0.474 5.012 12.350
114 1HE2 GLN 16 2HE2 GLN 16 -3.454 6.657 11.180
115 2HE2 GLN 16 1HE2 GLN 16 -2.811 8.250 11.529
116 H CYS 17 H CYS 17 -2.869 3.845 11.054
117 HA CYS 17 HA CYS 17 -3.724 1.190 10.037
118 1HB CYS 17 1HB CYS 17 -5.497 1.635 12.082
119 2HB CYS 17 2HB CYS 17 -3.936 0.876 12.278
120 H GLN 18 H GLN 18 -5.510 1.273 8.249
121 HA GLN 18 HA GLN 18 -7.858 2.068 9.698
122 1HB GLN 18 1HB GLN 18 -7.210 0.467 7.463
123 2HB GLN 18 2HB GLN 18 -7.776 -0.700 8.653
124 1HG GLN 18 1HG GLN 18 -9.677 0.095 7.267
125 2HG GLN 18 2HG GLN 18 -9.894 0.672 8.915
126 1HE2 GLN 18 2HE2 GLN 18 -7.606 1.824 6.448
127 2HE2 GLN 18 1HE2 GLN 18 -8.013 3.516 6.643
128 HA PRO 19 HA PRO 19 -8.378 -1.562 12.242
129 1HB PRO 19 1HB PRO 19 -10.818 -0.101 12.853
130 2HB PRO 19 2HB PRO 19 -9.730 -0.965 13.936
131 1HG PRO 19 1HG PRO 19 -9.939 1.819 13.800
132 2HG PRO 19 2HG PRO 19 -8.550 0.934 14.461
133 1HD PRO 19 1HD PRO 19 -8.750 2.380 11.868
134 2HD PRO 19 2HD PRO 19 -7.316 1.961 12.823
135 H LEU 20 H LEU 20 -8.565 -1.844 9.457
136 HA LEU 20 HA LEU 20 -9.268 -4.048 10.362
137 1HB LEU 20 1HB LEU 20 -10.962 -3.690 11.813
138 2HB LEU 20 2HB LEU 20 -11.796 -2.542 10.785
139 HG LEU 20 HG LEU 20 -11.672 -5.203 9.588
140 1HD1 LEU 20 1HD1 LEU 20 -11.713 -6.153 11.775
141 2HD1 LEU 20 2HD1 LEU 20 -12.800 -4.909 12.390
142 3HD1 LEU 20 3HD1 LEU 20 -13.406 -6.134 11.277
143 1HD2 LEU 20 1HD2 LEU 20 -13.256 -3.055 9.241
144 2HD2 LEU 20 2HD2 LEU 20 -13.819 -4.691 8.900
145 3HD2 LEU 20 3HD2 LEU 20 -14.246 -3.912 10.422
146 H ASN 21 H ASN 21 -11.313 -2.245 8.860
147 HA ASN 21 HA ASN 21 -13.017 -3.216 7.220
148 1HB ASN 21 1HB ASN 21 -11.239 -0.936 6.539
149 2HB ASN 21 2HB ASN 21 -11.995 -1.680 5.111
150 1HD2 ASN 21 HD2 ASN 21 -12.458 0.932 6.232
151 H GLN 22 H GLN 22 -13.260 -4.992 6.247
152 HA GLN 22 HA GLN 22 -12.980 -6.624 4.663
153 1HB GLN 22 1HB GLN 22 -11.658 -4.446 3.509
154 2HB GLN 22 2HB GLN 22 -10.388 -5.646 3.558
155 1HG GLN 22 1HG GLN 22 -11.284 -6.678 1.735
156 2HG GLN 22 2HG GLN 22 -12.781 -6.966 2.617
157 1HE2 GLN 22 1HE2 GLN 22 -13.715 -6.715 0.528
158 2HE2 GLN 22 2HE2 GLN 22 -14.113 -5.120 -0.084
159 H THR 23 H THR 23 -10.063 -5.363 6.234
160 HA THR 23 HA THR 23 -8.871 -7.955 5.881
161 HB THR 23 HB THR 23 -7.514 -5.634 7.306
162 HG1 THR 23 HG1 THR 23 -8.628 -5.470 5.014
163 1HG2 THR 23 1HG2 THR 23 -5.475 -6.589 6.630
164 2HG2 THR 23 2HG2 THR 23 -6.445 -8.049 6.826
165 3HG2 THR 23 3HG2 THR 23 -6.183 -7.373 5.218
166 H SER 24 H SER 24 -10.134 -6.121 8.299
167 HA SER 24 HA SER 24 -9.770 -5.904 10.544
168 1HB SER 24 1HB SER 24 -9.706 -7.797 11.940
169 2HB SER 24 2HB SER 24 -10.764 -8.094 10.565
170 HG SER 24 HG SER 24 -9.090 -9.713 11.295
171 H TYR 25 H TYR 25 -8.083 -5.366 11.784
172 HA TYR 25 HA TYR 25 -7.509 -3.783 9.672
173 1HB TYR 25 2HB TYR 25 -6.755 -2.180 11.358
174 2HB TYR 25 1HB TYR 25 -7.586 -3.384 12.323
175 HD1 TYR 25 HD1 TYR 25 -6.017 -5.493 13.078
176 HD2 TYR 25 HD2 TYR 25 -4.670 -1.454 12.145
177 HE1 TYR 25 HE1 TYR 25 -3.855 -5.937 14.290
178 HE2 TYR 25 HE2 TYR 25 -2.507 -1.893 13.350
179 HH TYR 25 HH TYR 25 -1.542 -3.454 15.002
180 H LEU 26 H LEU 26 -5.687 -2.617 9.187
181 HA LEU 26 HA LEU 26 -4.561 -4.839 7.625
182 1HB LEU 26 2HB LEU 26 -5.168 -3.529 5.655
183 2HB LEU 26 1HB LEU 26 -6.470 -3.995 6.755
184 HG LEU 26 HG LEU 26 -5.807 -1.495 7.697
185 1HD1 LEU 26 1HD1 LEU 26 -5.184 -0.163 5.953
186 2HD1 LEU 26 2HD1 LEU 26 -4.777 -1.658 5.096
187 3HD1 LEU 26 3HD1 LEU 26 -6.365 -0.925 4.868
188 1HD2 LEU 26 1HD2 LEU 26 -8.081 -1.017 6.473
189 2HD2 LEU 26 2HD2 LEU 26 -7.951 -2.679 5.903
190 3HD2 LEU 26 3HD2 LEU 26 -8.052 -2.373 7.628
191 H CYS 27 H CYS 27 -3.590 -2.386 5.880
192 HA CYS 27 HA CYS 27 -3.056 -0.502 7.942
193 1HB CYS 27 1HB CYS 27 -0.735 -2.111 6.969
194 2HB CYS 27 2HB CYS 27 -0.427 -0.408 7.369
195 H VAL 28 H VAL 28 -1.751 1.589 6.983
196 HA VAL 28 HA VAL 28 -4.180 1.950 5.596
197 HB VAL 28 HB VAL 28 -1.890 3.758 6.346
198 1HG1 VAL 28 1HG2 VAL 28 -4.447 4.676 4.955
199 2HG1 VAL 28 2HG2 VAL 28 -3.377 5.786 5.811
200 3HG1 VAL 28 3HG2 VAL 28 -2.787 4.897 4.404
201 1HG2 VAL 28 1HG1 VAL 28 -3.099 4.454 8.221
202 2HG2 VAL 28 2HG1 VAL 28 -4.657 4.220 7.452
203 3HG2 VAL 28 3HG1 VAL 28 -3.762 2.816 8.012
204 H CYS 29 H CYS 29 -1.216 1.481 4.373
205 HA CYS 29 HA CYS 29 -0.388 3.946 3.989
206 1HB CYS 29 1HB CYS 29 0.296 1.458 2.455
207 2HB CYS 29 2HB CYS 29 0.939 2.915 1.754
208 H ALA 30 H ALA 30 0.448 4.574 2.175
209 HA ALA 30 HA ALA 30 -1.339 6.642 1.860
210 1HB ALA 30 1HB ALA 30 1.290 6.298 0.360
211 2HB ALA 30 2HB ALA 30 0.325 7.761 0.158
212 3HB ALA 30 3HB ALA 30 0.948 7.329 1.750
213 H GLU 31 H GLU 31 -3.316 6.314 0.714
214 HA GLU 31 HA GLU 31 -3.525 3.975 -0.439
215 1HB GLU 31 1HB GLU 31 -5.268 5.916 0.093
216 2HB GLU 31 2HB GLU 31 -5.222 6.158 -1.633
217 1HG GLU 31 1HG GLU 31 -5.571 3.472 -1.634
218 2HG GLU 31 2HG GLU 31 -6.254 3.812 -0.045
219 H GLY 32 H GLY 32 -4.023 3.196 -2.621
220 1HA GLY 32 1HA GLY 32 -2.535 2.288 -4.144
221 2HA GLY 32 2HA GLY 32 -2.308 3.969 -4.716
222 H PHE 33 H PHE 33 -1.597 3.057 -1.384
223 HA PHE 33 HA PHE 33 0.870 1.788 -2.190
224 1HB PHE 33 2HB PHE 33 0.705 4.223 -0.373
225 2HB PHE 33 1HB PHE 33 1.900 2.969 0.013
226 HD1 PHE 33 HD1 PHE 33 0.895 5.574 -2.446
227 HD2 PHE 33 HD2 PHE 33 3.832 2.518 -1.427
228 HE1 PHE 33 HE1 PHE 33 2.470 6.513 -4.175
229 HE2 PHE 33 HE2 PHE 33 5.412 3.460 -3.147
230 HZ PHE 33 HZ PHE 33 4.739 5.471 -4.505
231 H ALA 34 H ALA 34 1.115 -0.120 -0.938
232 HA ALA 34 HA ALA 34 -0.719 -0.842 1.042
233 1HB ALA 34 1HB ALA 34 -2.790 -0.530 0.087
234 2HB ALA 34 2HB ALA 34 -2.035 0.094 -1.380
235 3HB ALA 34 3HB ALA 34 -2.348 -1.636 -1.210
236 HA PRO 35 HA PRO 35 1.409 -3.944 1.381
237 1HB PRO 35 1HB PRO 35 -0.351 -6.272 1.046
238 2HB PRO 35 2HB PRO 35 0.285 -5.592 2.537
239 1HG PRO 35 1HG PRO 35 -2.404 -5.357 1.532
240 2HG PRO 35 2HG PRO 35 -1.746 -4.605 2.979
241 1HD PRO 35 2HD PRO 35 -2.452 -3.291 0.492
242 2HD PRO 35 1HD PRO 35 -1.741 -2.544 1.932
243 H ILE 36 H ILE 36 2.393 -3.397 -0.776
244 HA ILE 36 HA ILE 36 3.208 -5.168 -2.531
245 HB ILE 36 HB ILE 36 4.864 -3.731 -1.631
246 1HG1 ILE 36 1HG1 ILE 36 5.499 -6.418 -1.929
247 2HG1 ILE 36 2HG1 ILE 36 6.591 -5.056 -1.928
248 1HG2 ILE 36 1HG2 ILE 36 4.255 -4.997 1.050
249 2HG2 ILE 36 2HG2 ILE 36 5.637 -3.934 0.786
250 3HG2 ILE 36 3HG2 ILE 36 3.995 -3.322 0.560
251 1HD1 ILE 36 1HD1 ILE 36 7.070 -6.978 -0.273
252 2HD1 ILE 36 2HD1 ILE 36 7.086 -5.330 0.394
253 3HD1 ILE 36 3HD1 ILE 36 5.677 -6.372 0.645
254 HA PRO 37 HA PRO 37 2.630 -9.478 -1.528
255 1HB PRO 37 1HB PRO 37 5.470 -9.661 -2.448
256 2HB PRO 37 2HB PRO 37 4.076 -10.592 -2.981
257 1HG PRO 37 1HG PRO 37 5.213 -8.406 -4.374
258 2HG PRO 37 2HG PRO 37 3.598 -9.041 -4.666
259 1HD PRO 37 1HD PRO 37 4.309 -6.486 -3.499
260 2HD PRO 37 2HD PRO 37 2.680 -7.107 -3.796
261 H HIS 38 H HIS 38 4.530 -11.248 -0.576
262 HA HIS 38 HA HIS 38 3.315 -11.798 1.376
263 1HB HIS 38 1HB HIS 38 4.963 -11.623 3.263
264 2HB HIS 38 2HB HIS 38 5.494 -12.480 1.808
265 HD1 HIS 38 HD1 HIS 38 7.194 -10.714 4.218
266 HD2 HIS 38 HD2 HIS 38 6.588 -9.944 0.102
267 HE1 HIS 38 HE1 HIS 38 9.089 -9.143 3.482
268 H GLU 39 H GLU 39 4.930 -9.463 2.903
269 HA GLU 39 HA GLU 39 3.343 -9.737 4.989
270 1HB GLU 39 2HB GLU 39 4.407 -6.940 4.507
271 2HB GLU 39 1HB GLU 39 4.305 -7.777 6.068
272 1HG GLU 39 2HG GLU 39 5.975 -9.492 5.048
273 2HG GLU 39 1HG GLU 39 6.214 -8.307 3.765
274 HA PRO 40 HA PRO 40 -0.469 -7.383 4.362
275 1HB PRO 40 1HB PRO 40 -1.376 -8.637 6.808
276 2HB PRO 40 2HB PRO 40 -1.979 -8.916 5.179
277 1HG PRO 40 1HG PRO 40 -0.374 -10.707 6.774
278 2HG PRO 40 2HG PRO 40 -0.932 -10.963 5.126
279 1HD PRO 40 1HD PRO 40 1.757 -10.279 6.045
280 2HD PRO 40 2HD PRO 40 1.249 -10.687 4.395
281 H HIS 41 H HIS 41 1.832 -5.991 5.380
282 HA HIS 41 HA HIS 41 -0.513 -4.524 6.314
283 1HB HIS 41 2HB HIS 41 1.113 -2.904 7.577
284 2HB HIS 41 1HB HIS 41 0.792 -4.458 8.353
285 HD1 HIS 41 HD1 HIS 41 2.813 -6.444 7.103
286 HD2 HIS 41 HD2 HIS 41 3.639 -2.361 7.845
287 HE1 HIS 41 HE1 HIS 41 5.372 -6.203 7.074
288 H ARG 42 H ARG 42 1.737 -4.774 4.071
289 HA ARG 42 HA ARG 42 2.905 -2.193 4.711
290 1HB ARG 42 1HB ARG 42 3.774 -4.397 2.885
291 2HB ARG 42 2HB ARG 42 4.360 -2.821 2.452
292 1HG ARG 42 1HG ARG 42 5.622 -2.530 4.359
293 2HG ARG 42 2HG ARG 42 4.552 -3.532 5.343
294 1HD ARG 42 1HD ARG 42 5.730 -5.487 4.827
295 2HD ARG 42 2HD ARG 42 6.077 -4.966 3.165
296 HE ARG 42 HE ARG 42 7.666 -4.395 5.545
297 1HH1 ARG 42 2HH1 ARG 42 6.955 -2.101 3.340
298 2HH1 ARG 42 1HH1 ARG 42 8.509 -2.033 2.578
299 1HH2 ARG 42 1HH2 ARG 42 9.572 -5.135 3.808
300 2HH2 ARG 42 2HH2 ARG 42 9.799 -3.979 2.536
301 H CYS 43 H CYS 43 3.365 -0.375 3.144
302 HA CYS 43 HA CYS 43 2.144 -0.854 0.540
303 1HB CYS 43 2HB CYS 43 3.344 1.529 0.234
304 2HB CYS 43 1HB CYS 43 1.831 1.295 1.088
305 H GLN 44 H GLN 44 3.353 -0.834 -1.413
306 HA GLN 44 HA GLN 44 5.846 0.258 -1.604
307 1HB GLN 44 2HB GLN 44 5.985 -2.492 -0.546
308 2HB GLN 44 1HB GLN 44 6.857 -2.357 -2.055
309 1HG GLN 44 1HG GLN 44 8.098 -0.345 -1.092
310 2HG GLN 44 2HG GLN 44 7.308 -0.657 0.450
311 1HE2 GLN 44 2HE2 GLN 44 7.604 -3.867 -0.012
312 2HE2 GLN 44 1HE2 GLN 44 8.453 -3.409 1.453
313 H MET 45 H MET 45 5.396 0.673 -4.269
314 HA MET 45 HA MET 45 3.236 0.987 -2.760
315 1HB MET 45 1HB MET 45 1.881 1.421 -4.990
316 2HB MET 45 2HB MET 45 3.281 2.406 -4.645
317 1HG MET 45 1HG MET 45 3.238 1.558 -7.010
318 2HG MET 45 2HG MET 45 4.688 1.083 -6.143
319 1HE MET 45 1HE MET 45 3.479 -0.476 -8.912
320 2HE MET 45 2HE MET 45 2.044 -1.428 -8.512
321 3HE MET 45 3HE MET 45 2.031 0.332 -8.289
322 H PHE 46 H PHE 46 0.814 0.079 -2.699
323 HA PHE 46 HA PHE 46 0.283 -2.226 -4.054
324 1HB PHE 46 2HB PHE 46 -1.539 -1.081 -2.943
325 2HB PHE 46 1HB PHE 46 -1.229 0.420 -3.786
326 HD1 PHE 46 HD1 PHE 46 -2.469 -3.105 -4.310
327 HD2 PHE 46 HD2 PHE 46 -2.412 0.998 -5.776
328 HE1 PHE 46 HE1 PHE 46 -4.268 -3.680 -5.975
329 HE2 PHE 46 HE2 PHE 46 -4.205 0.427 -7.448
330 HZ PHE 46 HZ PHE 46 -5.131 -1.913 -7.550
331 H CYS 47 H CYS 47 1.465 -2.615 -6.297
332 HA CYS 47 HA CYS 47 -1.266 -2.421 -6.997
333 1HB CYS 47 2HB CYS 47 0.186 -0.414 -8.238
334 2HB CYS 47 1HB CYS 47 0.300 -1.678 -9.441
335 H ASN 48 H ASN 48 -1.574 -4.672 -7.222
336 HA ASN 48 HA ASN 48 -0.760 -4.949 -10.029
337 1HB ASN 48 2HB ASN 48 -1.217 -7.598 -9.532
338 2HB ASN 48 1HB ASN 48 0.383 -6.887 -9.449
339 1HD2 ASN 48 HD2 ASN 48 -2.540 -7.177 -7.381
340 H GLN 49 H GLN 49 -3.033 -3.546 -9.609
341 HA GLN 49 HA GLN 49 -3.517 -5.088 -11.912
342 1HB GLN 49 2HB GLN 49 -6.030 -5.435 -11.609
343 2HB GLN 49 1HB GLN 49 -5.034 -6.440 -10.585
344 1HG GLN 49 2HG GLN 49 -5.326 -4.367 -8.870
345 2HG GLN 49 1HG GLN 49 -6.785 -4.104 -9.822
346 1HE2 GLN 49 2HE2 GLN 49 -6.080 -5.162 -7.041
347 2HE2 GLN 49 1HE2 GLN 49 -6.604 -6.833 -6.938
348 H THR 50 H THR 50 -6.496 -3.264 -11.308
349 HA THR 50 HA THR 50 -5.264 -2.672 -13.918
350 HB THR 50 HB THR 50 -8.008 -2.540 -14.338
351 HG1 THR 50 HG1 THR 50 -8.811 -3.191 -12.591
352 1HG2 THR 50 1HG2 THR 50 -6.774 -3.975 -15.784
353 2HG2 THR 50 2HG2 THR 50 -7.757 -5.112 -14.861
354 3HG2 THR 50 3HG2 THR 50 -6.060 -4.874 -14.445
355 H ALA 51 H ALA 51 -8.120 -1.033 -12.061
356 HA ALA 51 HA ALA 51 -7.427 0.575 -10.538
357 1HB ALA 51 1HB ALA 51 -6.418 -1.815 -10.002
358 2HB ALA 51 2HB ALA 51 -5.770 -0.437 -9.108
359 3HB ALA 51 3HB ALA 51 -4.872 -1.103 -10.470
360 H CYS 52 H CYS 52 -4.523 1.051 -9.916
361 HA CYS 52 HA CYS 52 -3.646 3.094 -11.490
362 1HB CYS 52 1HB CYS 52 -1.378 2.465 -10.909
363 2HB CYS 52 2HB CYS 52 -2.356 1.869 -9.584
364 HA PRO 53 HA PRO 53 -1.810 1.472 -15.149
365 1HB PRO 53 2HB PRO 53 -1.876 3.830 -16.541
366 2HB PRO 53 1HB PRO 53 -3.236 2.704 -16.649
367 1HG PRO 53 2HG PRO 53 -2.921 5.187 -14.990
368 2HG PRO 53 1HG PRO 53 -4.376 4.604 -15.841
369 1HD PRO 53 2HD PRO 53 -3.861 4.299 -13.064
370 2HD PRO 53 1HD PRO 53 -5.005 3.290 -13.975
371 H ALA 54 H ALA 54 0.378 1.728 -14.531
372 HA ALA 54 HA ALA 54 2.142 3.273 -15.499
373 1HB ALA 54 1HB ALA 54 2.079 2.101 -17.499
374 2HB ALA 54 2HB ALA 54 0.486 2.735 -17.918
375 3HB ALA 54 3HB ALA 54 0.631 1.340 -16.850
376 H ASP 55 H ASP 55 1.502 4.310 -18.156
377 HA ASP 55 HA ASP 55 1.697 6.465 -18.810
378 1HB ASP 55 2HB ASP 55 -0.497 6.093 -19.556
379 2HB ASP 55 1HB ASP 55 -1.119 5.880 -17.931
380 H CYS 56 H CYS 56 3.083 6.282 -16.444
381 HA CYS 56 HA CYS 56 3.313 8.341 -14.984
382 1HB CYS 56 2HB CYS 56 5.102 8.278 -17.412
383 2HB CYS 56 1HB CYS 56 5.469 8.282 -15.680
384 H ASP 57 H ASP 57 4.388 10.834 -15.987
385 HA ASP 57 HA ASP 57 1.476 11.245 -15.829
386 1HB ASP 57 1HB ASP 57 2.528 9.781 -13.861
387 2HB ASP 57 2HB ASP 57 3.155 11.320 -13.281
388 HA PRO 58 HA PRO 58 1.928 13.589 -17.861
389 1HB PRO 58 2HB PRO 58 0.923 16.251 -17.224
390 2HB PRO 58 1HB PRO 58 0.082 14.938 -18.039
391 1HG PRO 58 2HG PRO 58 -0.327 15.860 -15.329
392 2HG PRO 58 1HG PRO 58 -1.148 14.533 -16.141
393 1HD PRO 58 2HD PRO 58 0.865 14.344 -14.054
394 2HD PRO 58 1HD PRO 58 0.048 13.008 -14.883
395 H ASN 59 H ASN 59 3.028 15.600 -15.171
396 HA ASN 59 HA ASN 59 4.730 17.045 -17.020
397 1HB ASN 59 1HB ASN 59 3.745 18.464 -15.279
398 2HB ASN 59 2HB ASN 59 4.235 17.314 -14.013
399 1HD2 ASN 59 1HD2 ASN 59 6.508 16.928 -13.701
400 2HD2 ASN 59 2HD2 ASN 59 7.469 18.390 -13.573
401 H THR 60 H THR 60 4.892 14.698 -14.827
402 HA THR 60 HA THR 60 7.695 15.286 -14.171
403 HB THR 60 HB THR 60 7.453 14.017 -12.081
404 HG1 THR 60 HG1 THR 60 5.551 12.754 -11.853
405 1HG2 THR 60 1HG2 THR 60 4.725 15.255 -12.731
406 2HG2 THR 60 2HG2 THR 60 6.113 16.148 -12.108
407 3HG2 THR 60 3HG2 THR 60 5.347 14.909 -11.116
408 H GLN 61 H GLN 61 6.466 13.328 -16.270
409 HA GLN 61 HA GLN 61 6.352 10.892 -16.472
410 1HB GLN 61 1HB GLN 61 8.513 12.356 -17.684
411 2HB GLN 61 2HB GLN 61 9.122 10.760 -17.334
412 1HG GLN 61 2HG GLN 61 7.996 9.936 -19.131
413 2HG GLN 61 1HG GLN 61 6.464 10.440 -18.420
414 1HE2 GLN 61 2HE2 GLN 61 9.052 11.569 -20.799
415 2HE2 GLN 61 1HE2 GLN 61 7.585 11.508 -21.757
416 H ALA 62 H ALA 62 9.000 9.395 -16.404
417 HA ALA 62 HA ALA 62 9.106 7.449 -15.083
418 1HB ALA 62 1HB ALA 62 10.956 8.656 -14.148
419 2HB ALA 62 2HB ALA 62 10.021 8.188 -12.727
420 3HB ALA 62 3HB ALA 62 9.896 9.826 -13.360
421 H SER 63 H SER 63 8.408 9.030 -12.434
422 HA SER 63 HA SER 63 6.622 8.778 -10.775
423 1HB SER 63 2HB SER 63 5.869 10.398 -13.126
424 2HB SER 63 1HB SER 63 4.443 9.707 -12.359
425 HG SER 63 HG SER 63 4.775 11.441 -11.245
426 H CYS 64 H CYS 64 7.167 6.367 -11.771
427 HA CYS 64 HA CYS 64 4.480 5.198 -11.932
428 1HB CYS 64 2HB CYS 64 6.560 5.110 -14.132
429 2HB CYS 64 1HB CYS 64 5.609 3.664 -13.872
430 H GLU 65 H GLU 65 4.782 3.702 -9.909
431 HA GLU 65 HA GLU 65 7.358 4.989 -9.528
432 1HB GLU 65 1HB GLU 65 5.027 5.520 -8.378
433 2HB GLU 65 2HB GLU 65 5.415 4.197 -7.310
434 1HG GLU 65 2HG GLU 65 6.157 6.215 -6.196
435 2HG GLU 65 1HG GLU 65 7.599 5.348 -6.719
436 H CYS 66 H CYS 66 6.474 1.974 -9.717
437 HA CYS 66 HA CYS 66 6.619 1.016 -7.201
438 1HB CYS 66 1HB CYS 66 6.936 -1.014 -9.331
439 2HB CYS 66 2HB CYS 66 5.580 -0.700 -8.245
440 HA PRO 67 HA PRO 67 9.162 0.775 -5.353
441 1HB PRO 67 1HB PRO 67 9.751 -1.663 -4.055
442 2HB PRO 67 2HB PRO 67 8.280 -0.694 -3.870
443 1HG PRO 67 2HG PRO 67 8.606 -3.241 -5.330
444 2HG PRO 67 1HG PRO 67 7.130 -2.451 -4.790
445 1HD PRO 67 2HD PRO 67 8.150 -2.505 -7.489
446 2HD PRO 67 1HD PRO 67 6.764 -1.577 -6.904
447 H GLU 68 H GLU 68 10.486 -2.108 -5.584
448 HA GLU 68 HA GLU 68 12.789 -1.155 -4.547
449 1HB GLU 68 2HB GLU 68 11.902 -3.819 -5.261
450 2HB GLU 68 1HB GLU 68 13.632 -3.723 -5.486
451 1HG GLU 68 2HG GLU 68 13.855 -2.793 -3.137
452 2HG GLU 68 1HG GLU 68 12.120 -3.000 -2.924
453 H GLY 69 H GLY 69 12.587 -0.070 -7.393
454 1HA GLY 69 2HA GLY 69 14.444 -0.266 -9.157
455 2HA GLY 69 1HA GLY 69 14.440 -1.993 -8.711
456 H TYR 70 H TYR 70 10.947 -0.656 -9.180
457 HA TYR 70 HA TYR 70 10.440 0.642 -10.968
458 1HB TYR 70 2HB TYR 70 11.740 2.768 -10.773
459 2HB TYR 70 1HB TYR 70 11.292 2.103 -9.216
460 HD1 TYR 70 HD1 TYR 70 14.166 1.864 -11.712
461 HD2 TYR 70 HD2 TYR 70 12.914 2.049 -7.535
462 HE1 TYR 70 HE1 TYR 70 16.565 1.791 -10.994
463 HE2 TYR 70 HE2 TYR 70 15.324 1.992 -6.815
464 HH TYR 70 HH TYR 70 17.896 2.606 -8.813
465 H ILE 71 H ILE 71 13.272 -1.242 -11.952
466 HA ILE 71 HA ILE 71 11.964 -0.509 -14.436
467 HB ILE 71 HB ILE 71 13.455 -2.909 -13.368
468 1HG1 ILE 71 1HG1 ILE 71 13.931 -1.581 -16.024
469 2HG1 ILE 71 2HG1 ILE 71 14.405 -0.748 -14.562
470 1HG2 ILE 71 1HG2 ILE 71 13.008 -3.771 -15.904
471 2HG2 ILE 71 2HG2 ILE 71 11.464 -2.971 -15.603
472 3HG2 ILE 71 3HG2 ILE 71 12.008 -4.269 -14.539
473 1HD1 ILE 71 1HD1 ILE 71 15.255 -3.634 -15.089
474 2HD1 ILE 71 2HD1 ILE 71 15.949 -2.499 -13.930
475 3HD1 ILE 71 3HD1 ILE 71 16.204 -2.261 -15.659
476 H LEU 72 H LEU 72 9.839 -0.506 -12.226
477 HA LEU 72 HA LEU 72 8.049 -0.076 -13.598
478 1HB LEU 72 2HB LEU 72 10.413 0.938 -14.536
479 2HB LEU 72 1HB LEU 72 10.081 -0.155 -15.857
480 HG LEU 72 HG LEU 72 8.657 1.174 -16.823
481 1HD1 LEU 72 1HD2 LEU 72 6.688 2.181 -15.701
482 2HD1 LEU 72 2HD2 LEU 72 7.359 1.709 -14.132
483 3HD1 LEU 72 3HD2 LEU 72 6.881 0.472 -15.295
484 1HD2 LEU 72 1HD1 LEU 72 10.169 2.893 -14.996
485 2HD2 LEU 72 2HD1 LEU 72 8.616 3.605 -15.434
486 3HD2 LEU 72 3HD1 LEU 72 9.758 3.139 -16.692
487 H ASP 73 H ASP 73 6.431 -1.167 -15.314
488 HA ASP 73 HA ASP 73 6.996 -3.885 -14.627
489 1HB ASP 73 2HB ASP 73 7.210 -2.006 -12.474
490 2HB ASP 73 1HB ASP 73 5.657 -2.801 -12.238
491 H ASP 74 H ASP 74 4.666 -4.929 -13.711
492 HA ASP 74 HA ASP 74 4.831 -5.377 -16.315
493 1HB ASP 74 2HB ASP 74 3.205 -6.440 -14.284
494 2HB ASP 74 1HB ASP 74 2.030 -5.948 -15.500
495 H GLY 75 H GLY 75 4.881 -2.953 -16.883
496 1HA GLY 75 2HA GLY 75 3.509 -2.989 -19.189
497 2HA GLY 75 1HA GLY 75 2.329 -2.218 -18.107
498 H PHE 76 H PHE 76 3.660 -0.973 -16.655
499 HA PHE 76 HA PHE 76 5.850 0.604 -17.085
500 1HB PHE 76 2HB PHE 76 3.968 1.278 -19.123
501 2HB PHE 76 1HB PHE 76 3.921 2.636 -18.021
502 HD1 PHE 76 HD1 PHE 76 5.550 1.337 -20.863
503 HD2 PHE 76 HD2 PHE 76 6.359 3.494 -17.159
504 HE1 PHE 76 HE1 PHE 76 7.674 2.249 -21.857
505 HE2 PHE 76 HE2 PHE 76 8.520 4.343 -18.125
506 HZ PHE 76 HZ PHE 76 9.162 3.750 -20.487
507 H ILE 77 H ILE 77 4.262 -0.261 -15.013
508 HA ILE 77 HA ILE 77 1.905 0.964 -15.147
509 HB ILE 77 HB ILE 77 2.467 -1.217 -14.299
510 1HG1 ILE 77 1HG1 ILE 77 0.466 0.161 -12.534
511 2HG1 ILE 77 2HG1 ILE 77 0.184 -0.253 -14.200
512 1HG2 ILE 77 1HG2 ILE 77 3.788 0.230 -12.249
513 2HG2 ILE 77 2HG2 ILE 77 3.750 -1.510 -12.533
514 3HG2 ILE 77 3HG2 ILE 77 2.526 -0.764 -11.491
515 1HD1 ILE 77 1HD1 ILE 77 -0.600 -2.234 -13.294
516 2HD1 ILE 77 2HD1 ILE 77 0.326 -2.036 -11.806
517 3HD1 ILE 77 3HD1 ILE 77 1.109 -2.674 -13.251
518 H CYS 78 H CYS 78 0.719 2.104 -12.825
519 HA CYS 78 HA CYS 78 1.897 1.074 -10.805
520 1HB CYS 78 2HB CYS 78 4.060 2.596 -11.601
521 2HB CYS 78 1HB CYS 78 3.291 3.734 -10.522
522 H THR 79 H THR 79 1.317 4.499 -11.586
523 HA THR 79 HA THR 79 0.003 4.701 -8.947
524 HB THR 79 HB THR 79 0.620 7.189 -10.513
525 HG1 THR 79 HG1 THR 79 2.742 5.923 -9.295
526 1HG2 THR 79 1HG2 THR 79 0.541 6.308 -7.667
527 2HG2 THR 79 2HG2 THR 79 0.213 7.897 -8.357
528 3HG2 THR 79 3HG2 THR 79 1.875 7.396 -8.051
529 H ASP 80 H ASP 80 -2.081 3.684 -10.118
530 HA ASP 80 HA ASP 80 -3.932 5.679 -10.475
531 1HB ASP 80 2HB ASP 80 -4.275 3.300 -9.541
532 2HB ASP 80 1HB ASP 80 -3.819 3.957 -7.965
533 H ILE 81 H ILE 81 -3.969 5.928 -6.879
534 HA ILE 81 HA ILE 81 -5.688 7.477 -7.021
535 HB ILE 81 HB ILE 81 -3.375 9.329 -7.711
536 1HG1 ILE 81 2HG1 ILE 81 -2.532 7.700 -6.082
537 2HG1 ILE 81 1HG1 ILE 81 -2.672 9.291 -5.370
538 1HG2 ILE 81 1HG2 ILE 81 -5.364 9.908 -5.538
539 2HG2 ILE 81 2HG2 ILE 81 -5.923 10.028 -7.206
540 3HG2 ILE 81 3HG2 ILE 81 -4.566 11.013 -6.656
541 1HD1 ILE 81 1HD1 ILE 81 -4.115 8.508 -3.774
542 2HD1 ILE 81 2HD1 ILE 81 -3.825 6.879 -4.387
543 3HD1 ILE 81 3HD1 ILE 81 -5.182 7.824 -5.001
544 H ASP 82 H ASP 82 -7.148 8.414 -8.264
545 HA ASP 82 HA ASP 82 -8.177 9.056 -10.198
546 1HB ASP 82 2HB ASP 82 -6.134 10.817 -9.751
547 2HB ASP 82 1HB ASP 82 -5.602 10.192 -11.308
548 H GLU 83 H GLU 83 -5.853 8.859 -13.002
549 HA GLU 83 HA GLU 83 -8.712 8.967 -12.828
550 1HB GLU 83 1HB GLU 83 -7.475 10.513 -14.311
551 2HB GLU 83 2HB GLU 83 -6.793 9.178 -15.207
552 1HG GLU 83 1HG GLU 83 -9.630 8.810 -15.319
553 2HG GLU 83 2HG GLU 83 -9.342 10.521 -15.621
554 H1 NAG 121 H1 ASN 21 -15.307 0.522 6.923
555 H2 NAG 121 H2 ASN 21 -13.475 2.961 7.210
556 H3 NAG 121 H3 ASN 21 -16.355 2.870 8.155
557 H4 NAG 121 H4 ASN 21 -15.520 4.298 5.613
558 H5 NAG 121 H5 ASN 21 -16.935 1.604 5.790
559 1H6 NAG 121 1H6 ASN 21 -17.586 3.210 3.877
560 2H6 NAG 121 2H6 ASN 21 -16.973 1.634 3.374
561 1H8 NAG 121 1H8 ASN 21 -12.013 0.721 9.237
562 2H8 NAG 121 2H8 ASN 21 -11.042 2.162 9.600
563 3H8 NAG 121 3H8 ASN 21 -11.940 1.349 10.897
564 HN2 NAG 121 HN2 ASN 21 -14.615 1.104 9.178
565 HO4 NAG 121 HO4 ASN 21 -17.341 5.060 6.007
566 HO3 NAG 121 HO3 ASN 21 -15.216 4.395 9.060
567 HO6 NAG 121 H6 ASN 21 -15.422 3.950 3.635
568 H1 NAG 148 H1 ASN 48 -0.720 -7.039 -5.097
569 H2 NAG 148 H2 ASN 48 -3.534 -6.452 -5.606
570 H3 NAG 148 H3 ASN 48 -4.033 -6.880 -3.037
571 H4 NAG 148 H4 ASN 48 -3.403 -9.498 -2.858
572 H5 NAG 148 H5 ASN 48 -0.661 -8.483 -3.431
573 1H6 NAG 148 1H6 ASN 48 -1.205 -10.784 -2.471
574 2H6 NAG 148 2H6 ASN 48 -0.251 -10.824 -3.954
575 1H8 NAG 148 1H8 ASN 48 -0.843 -3.504 -3.034
576 2H8 NAG 148 2H8 ASN 48 -2.474 -3.680 -2.360
577 3H8 NAG 148 3H8 ASN 48 -1.068 -4.280 -1.465
578 HN2 NAG 148 HN2 ASN 48 -2.532 -4.643 -4.728
579 HO4 NAG 148 HO4 ASN 48 -2.837 -8.719 -1.117
580 HO3 NAG 148 HO3 ASN 48 -4.311 -8.906 -4.923
581 HO6 NAG 148 H6 ASN 48 -2.119 -11.215 -5.081
Start of MODEL 4
1 1H HIS 1 1H HIS 1 -4.034 -12.339 26.248
2 2H HIS 1 2H HIS 1 -2.895 -13.503 26.730
3 3H HIS 1 3H HIS 1 -3.590 -12.467 27.882
4 HA HIS 1 HA HIS 1 -2.636 -10.591 26.639
5 1HB HIS 1 1HB HIS 1 -1.403 -12.416 28.515
6 2HB HIS 1 2HB HIS 1 -0.165 -11.851 27.417
7 HD2 HIS 1 HD2 HIS 1 0.298 -9.150 27.384
8 HE1 HIS 1 HE1 HIS 1 -1.859 -8.216 30.977
9 HE2 HIS 1 HE2 HIS 1 -0.188 -7.291 29.251
10 H MET 2 H MET 2 -3.214 -11.810 24.280
11 HA MET 2 HA MET 2 -0.560 -11.151 23.176
12 1HB MET 2 2HB MET 2 -3.292 -11.220 21.804
13 2HB MET 2 1HB MET 2 -1.759 -10.939 21.006
14 1HG MET 2 1HG MET 2 -1.106 -13.175 21.151
15 2HG MET 2 2HG MET 2 -1.958 -13.442 22.662
16 1HE MET 2 1HE MET 2 -3.200 -15.304 22.567
17 2HE MET 2 2HE MET 2 -2.449 -15.894 21.074
18 3HE MET 2 3HE MET 2 -4.211 -15.924 21.252
19 H GLU 3 H GLU 3 -1.827 -9.201 21.195
20 HA GLU 3 HA GLU 3 0.103 -7.981 23.040
21 1HB GLU 3 2HB GLU 3 1.446 -7.554 20.911
22 2HB GLU 3 1HB GLU 3 1.113 -9.258 21.222
23 1HG GLU 3 1HG GLU 3 -1.107 -8.485 19.708
24 2HG GLU 3 2HG GLU 3 0.192 -7.543 18.985
25 HA PRO 4 HA PRO 4 -3.301 -6.149 23.183
26 1HB PRO 4 1HB PRO 4 -2.758 -3.471 24.208
27 2HB PRO 4 2HB PRO 4 -3.316 -4.885 25.092
28 1HG PRO 4 1HG PRO 4 -0.670 -3.733 25.122
29 2HG PRO 4 2HG PRO 4 -1.219 -5.166 25.985
30 1HD PRO 4 1HD PRO 4 0.541 -5.079 23.681
31 2HD PRO 4 2HD PRO 4 -0.058 -6.523 24.513
32 H VAL 5 H VAL 5 -4.899 -3.962 22.509
33 HA VAL 5 HA VAL 5 -4.109 -4.906 19.821
34 HB VAL 5 HB VAL 5 -6.382 -5.968 21.485
35 1HG1 VAL 5 1HG2 VAL 5 -6.858 -7.576 19.739
36 2HG1 VAL 5 2HG2 VAL 5 -6.667 -6.021 18.930
37 3HG1 VAL 5 3HG2 VAL 5 -5.358 -7.200 18.891
38 1HG2 VAL 5 1HG1 VAL 5 -4.809 -7.268 22.525
39 2HG2 VAL 5 2HG1 VAL 5 -4.689 -8.159 21.010
40 3HG2 VAL 5 3HG1 VAL 5 -3.568 -6.840 21.337
41 H ASP 6 H ASP 6 -5.041 -2.219 20.524
42 HA ASP 6 HA ASP 6 -5.788 -0.960 18.683
43 1HB ASP 6 1HB ASP 6 -5.064 -2.290 16.516
44 2HB ASP 6 2HB ASP 6 -3.835 -1.682 17.559
45 HA PRO 7 HA PRO 7 -7.954 -1.926 15.339
46 1HB PRO 7 1HB PRO 7 -8.328 0.908 15.193
47 2HB PRO 7 2HB PRO 7 -9.574 -0.339 15.133
48 1HG PRO 7 1HG PRO 7 -8.984 1.499 17.326
49 2HG PRO 7 2HG PRO 7 -10.333 0.379 17.171
50 1HD PRO 7 1HD PRO 7 -7.977 0.077 18.843
51 2HD PRO 7 2HD PRO 7 -9.325 -1.059 18.673
52 H CYS 8 H CYS 8 -6.707 1.274 16.330
53 HA CYS 8 HA CYS 8 -4.562 0.762 14.435
54 1HB CYS 8 2HB CYS 8 -6.058 2.921 14.686
55 2HB CYS 8 1HB CYS 8 -4.919 3.352 15.959
56 H PHE 9 H PHE 9 -4.864 0.849 17.940
57 HA PHE 9 HA PHE 9 -2.431 1.395 18.814
58 1HB PHE 9 1HB PHE 9 -4.450 -0.034 19.809
59 2HB PHE 9 2HB PHE 9 -3.380 -1.389 19.445
60 HD1 PHE 9 HD1 PHE 9 -1.309 -1.804 20.659
61 HD2 PHE 9 HD2 PHE 9 -3.726 1.737 21.449
62 HE1 PHE 9 HE1 PHE 9 0.019 -1.367 22.752
63 HE2 PHE 9 HE2 PHE 9 -2.399 2.178 23.546
64 HZ PHE 9 HZ PHE 9 -0.524 0.624 24.195
65 H ARG 10 H ARG 10 -0.475 0.125 19.202
66 HA ARG 10 HA ARG 10 1.066 -1.469 18.748
67 1HB ARG 10 2HB ARG 10 -1.374 -2.702 18.609
68 2HB ARG 10 1HB ARG 10 -0.494 -3.344 17.224
69 1HG ARG 10 1HG ARG 10 -0.221 -3.889 20.066
70 2HG ARG 10 2HG ARG 10 0.441 -4.698 18.657
71 1HD ARG 10 1HD ARG 10 2.467 -3.298 18.691
72 2HD ARG 10 2HD ARG 10 1.890 -2.556 20.199
73 HE ARG 10 HE ARG 10 2.313 -5.482 20.014
74 1HH1 ARG 10 2HH2 ARG 10 4.836 -3.540 20.862
75 2HH1 ARG 10 1HH2 ARG 10 4.034 -2.578 22.058
76 1HH2 ARG 10 1HH1 ARG 10 1.974 -5.538 22.608
77 2HH2 ARG 10 2HH1 ARG 10 3.043 -4.492 23.482
78 H ALA 11 H ALA 11 -0.256 0.207 16.486
79 HA ALA 11 HA ALA 11 -0.677 -1.573 14.492
80 1HB ALA 11 1HB ALA 11 -2.031 0.258 14.170
81 2HB ALA 11 2HB ALA 11 -0.759 1.419 14.522
82 3HB ALA 11 3HB ALA 11 -0.846 0.658 12.930
83 H ASN 12 H ASN 12 0.432 -2.432 12.726
84 HA ASN 12 HA ASN 12 2.960 -1.026 12.075
85 1HB ASN 12 1HB ASN 12 4.027 -3.313 11.691
86 2HB ASN 12 2HB ASN 12 3.511 -3.104 13.362
87 1HD2 ASN 12 1HD2 ASN 12 1.293 -4.557 13.995
88 2HD2 ASN 12 2HD2 ASN 12 2.460 -5.825 13.665
89 H CYS 13 H CYS 13 0.223 -1.070 10.688
90 HA CYS 13 HA CYS 13 0.807 -0.842 8.132
91 1HB CYS 13 1HB CYS 13 0.677 1.668 9.907
92 2HB CYS 13 2HB CYS 13 0.256 1.533 8.197
93 H GLU 14 H GLU 14 2.751 -1.490 7.561
94 HA GLU 14 HA GLU 14 5.094 -0.395 7.130
95 1HB GLU 14 2HB GLU 14 3.588 -1.559 5.360
96 2HB GLU 14 1HB GLU 14 3.024 0.035 4.967
97 1HG GLU 14 1HG GLU 14 4.820 -0.409 3.414
98 2HG GLU 14 2HG GLU 14 5.517 0.686 4.603
99 H TYR 15 H TYR 15 3.882 1.815 4.862
100 HA TYR 15 HA TYR 15 3.399 4.156 6.156
101 1HB TYR 15 2HB TYR 15 2.751 3.286 3.772
102 2HB TYR 15 1HB TYR 15 1.225 2.805 4.497
103 HD1 TYR 15 HD1 TYR 15 -0.531 4.446 4.746
104 HD2 TYR 15 HD2 TYR 15 3.576 5.733 4.044
105 HE1 TYR 15 HE1 TYR 15 -1.329 6.810 4.417
106 HE2 TYR 15 HE2 TYR 15 2.780 8.099 3.720
107 HH TYR 15 HH TYR 15 0.228 9.131 2.950
108 H GLN 16 H GLN 16 0.414 3.585 5.840
109 HA GLN 16 HA GLN 16 0.272 3.564 8.836
110 1HB GLN 16 1HB GLN 16 0.265 5.809 7.348
111 2HB GLN 16 2HB GLN 16 -1.475 5.495 7.338
112 1HG GLN 16 1HG GLN 16 -1.287 5.252 9.910
113 2HG GLN 16 2HG GLN 16 0.359 5.845 9.775
114 1HE2 GLN 16 2HE2 GLN 16 0.553 7.987 8.390
115 2HE2 GLN 16 1HE2 GLN 16 -0.923 8.814 7.930
116 H CYS 17 H CYS 17 -2.279 4.676 8.765
117 HA CYS 17 HA CYS 17 -3.345 1.991 9.412
118 1HB CYS 17 1HB CYS 17 -2.512 3.641 11.181
119 2HB CYS 17 2HB CYS 17 -3.894 4.647 10.825
120 H GLN 18 H GLN 18 -5.462 1.538 7.943
121 HA GLN 18 HA GLN 18 -7.257 3.302 9.447
122 1HB GLN 18 2HB GLN 18 -7.631 1.857 7.160
123 2HB GLN 18 1HB GLN 18 -8.256 0.711 8.352
124 1HG GLN 18 1HG GLN 18 -10.208 1.897 8.021
125 2HG GLN 18 2HG GLN 18 -9.509 2.951 9.246
126 1HE2 GLN 18 2HE2 GLN 18 -7.538 4.323 7.985
127 2HE2 GLN 18 1HE2 GLN 18 -7.843 4.733 6.307
128 HA PRO 19 HA PRO 19 -8.880 -0.123 11.854
129 1HB PRO 19 1HB PRO 19 -10.948 1.814 12.499
130 2HB PRO 19 2HB PRO 19 -9.980 0.857 13.607
131 1HG PRO 19 1HG PRO 19 -9.750 3.671 13.134
132 2HG PRO 19 2HG PRO 19 -8.680 2.675 14.120
133 1HD PRO 19 1HD PRO 19 -8.163 3.806 11.454
134 2HD PRO 19 2HD PRO 19 -7.026 3.001 12.549
135 H LEU 20 H LEU 20 -9.668 -0.631 9.044
136 HA LEU 20 HA LEU 20 -10.621 -2.494 9.918
137 1HB LEU 20 1HB LEU 20 -10.334 -2.445 12.174
138 2HB LEU 20 2HB LEU 20 -10.716 -0.754 12.298
139 HG LEU 20 HG LEU 20 -12.990 -2.592 11.824
140 1HD1 LEU 20 1HD2 LEU 20 -12.093 -2.273 14.660
141 2HD1 LEU 20 2HD2 LEU 20 -13.024 -3.569 13.908
142 3HD1 LEU 20 3HD2 LEU 20 -11.279 -3.487 13.670
143 1HD2 LEU 20 1HD1 LEU 20 -13.731 -0.368 12.042
144 2HD2 LEU 20 2HD1 LEU 20 -13.859 -0.933 13.704
145 3HD2 LEU 20 3HD1 LEU 20 -12.475 0.041 13.211
146 H ASN 21 H ASN 21 -12.246 0.120 10.392
147 HA ASN 21 HA ASN 21 -14.840 -0.754 10.342
148 1HB ASN 21 2HB ASN 21 -15.752 1.588 9.650
149 2HB ASN 21 1HB ASN 21 -14.643 1.559 11.044
150 1HD2 ASN 21 HD2 ASN 21 -14.754 3.905 10.151
151 H GLN 22 H GLN 22 -13.098 -0.383 7.335
152 HA GLN 22 HA GLN 22 -15.360 -2.151 6.584
153 1HB GLN 22 1HB GLN 22 -13.393 -0.624 5.052
154 2HB GLN 22 2HB GLN 22 -13.243 -2.314 4.642
155 1HG GLN 22 1HG GLN 22 -15.889 -2.234 4.380
156 2HG GLN 22 2HG GLN 22 -15.644 -0.494 4.264
157 1HE2 GLN 22 1HE2 GLN 22 -13.213 -0.262 2.699
158 2HE2 GLN 22 2HE2 GLN 22 -14.380 -0.071 1.403
159 H THR 23 H THR 23 -12.038 -2.048 7.684
160 HA THR 23 HA THR 23 -11.506 -4.420 6.090
161 HB THR 23 HB THR 23 -9.178 -3.455 7.601
162 HG1 THR 23 HG1 THR 23 -9.933 -1.537 7.702
163 1HG2 THR 23 1HG2 THR 23 -8.713 -2.735 4.971
164 2HG2 THR 23 2HG2 THR 23 -8.393 -4.343 5.621
165 3HG2 THR 23 3HG2 THR 23 -9.901 -4.022 4.760
166 H SER 24 H SER 24 -12.090 -3.759 9.147
167 HA SER 24 HA SER 24 -11.139 -3.973 11.146
168 1HB SER 24 1HB SER 24 -11.101 -6.136 12.181
169 2HB SER 24 2HB SER 24 -12.428 -6.118 11.023
170 HG SER 24 HG SER 24 -11.398 -7.450 9.777
171 H TYR 25 H TYR 25 -9.251 -3.990 12.130
172 HA TYR 25 HA TYR 25 -8.710 -2.161 10.280
173 1HB TYR 25 2HB TYR 25 -7.130 -1.067 11.888
174 2HB TYR 25 1HB TYR 25 -8.401 -1.893 12.777
175 HD1 TYR 25 HD1 TYR 25 -7.939 -3.892 14.148
176 HD2 TYR 25 HD2 TYR 25 -4.793 -1.980 11.799
177 HE1 TYR 25 HE1 TYR 25 -6.207 -5.264 15.346
178 HE2 TYR 25 HE2 TYR 25 -3.067 -3.335 13.010
179 HH TYR 25 HH TYR 25 -3.221 -5.809 14.355
180 H LEU 26 H LEU 26 -7.149 -1.311 9.282
181 HA LEU 26 HA LEU 26 -5.711 -3.442 7.887
182 1HB LEU 26 2HB LEU 26 -6.982 -2.868 6.120
183 2HB LEU 26 1HB LEU 26 -7.919 -1.953 7.300
184 HG LEU 26 HG LEU 26 -6.088 -0.085 6.702
185 1HD1 LEU 26 1HD2 LEU 26 -5.257 -0.199 4.501
186 2HD1 LEU 26 2HD2 LEU 26 -5.325 -1.941 4.821
187 3HD1 LEU 26 3HD2 LEU 26 -6.617 -1.152 3.935
188 1HD2 LEU 26 1HD1 LEU 26 -8.671 -0.050 6.567
189 2HD2 LEU 26 2HD1 LEU 26 -7.828 0.970 5.393
190 3HD2 LEU 26 3HD1 LEU 26 -8.494 -0.581 4.901
191 H CYS 27 H CYS 27 -4.205 -2.099 5.949
192 HA CYS 27 HA CYS 27 -3.232 0.309 7.336
193 1HB CYS 27 1HB CYS 27 -1.389 -1.844 6.337
194 2HB CYS 27 2HB CYS 27 -0.844 -0.200 6.705
195 H VAL 28 H VAL 28 -2.988 1.915 6.248
196 HA VAL 28 HA VAL 28 -3.897 1.847 3.464
197 HB VAL 28 HB VAL 28 -3.338 4.476 3.876
198 1HG1 VAL 28 1HG2 VAL 28 -5.840 4.421 5.008
199 2HG1 VAL 28 2HG2 VAL 28 -5.546 4.220 3.281
200 3HG1 VAL 28 3HG2 VAL 28 -5.771 2.804 4.308
201 1HG2 VAL 28 1HG1 VAL 28 -3.836 3.374 6.663
202 2HG2 VAL 28 2HG1 VAL 28 -2.431 4.274 6.092
203 3HG2 VAL 28 3HG1 VAL 28 -3.991 5.082 6.241
204 H CYS 29 H CYS 29 -2.537 2.510 1.646
205 HA CYS 29 HA CYS 29 -0.022 3.688 2.490
206 1HB CYS 29 1HB CYS 29 -0.866 2.244 -0.024
207 2HB CYS 29 2HB CYS 29 0.780 2.735 0.393
208 H ALA 30 H ALA 30 0.697 4.530 0.073
209 HA ALA 30 HA ALA 30 -0.322 6.976 -0.487
210 1HB ALA 30 1HB ALA 30 0.602 6.619 -2.940
211 2HB ALA 30 2HB ALA 30 1.710 6.543 -1.566
212 3HB ALA 30 3HB ALA 30 1.119 5.052 -2.311
213 H GLU 31 H GLU 31 -3.002 5.580 -0.492
214 HA GLU 31 HA GLU 31 -1.925 3.333 -1.307
215 1HB GLU 31 1HB GLU 31 -4.266 3.992 -0.149
216 2HB GLU 31 2HB GLU 31 -4.900 3.541 -1.708
217 1HG GLU 31 1HG GLU 31 -3.546 1.326 -1.431
218 2HG GLU 31 2HG GLU 31 -3.319 1.814 0.248
219 H GLY 32 H GLY 32 -2.870 1.664 -2.863
220 1HA GLY 32 2HA GLY 32 -2.973 1.515 -5.410
221 2HA GLY 32 1HA GLY 32 -1.854 2.915 -5.343
222 H PHE 33 H PHE 33 -0.071 2.534 -3.575
223 HA PHE 33 HA PHE 33 1.370 0.175 -3.222
224 1HB PHE 33 2HB PHE 33 0.302 2.511 -1.612
225 2HB PHE 33 1HB PHE 33 1.048 1.163 -0.742
226 HD1 PHE 33 HD1 PHE 33 3.307 1.282 -0.232
227 HD2 PHE 33 HD2 PHE 33 1.793 3.303 -3.785
228 HE1 PHE 33 HE1 PHE 33 5.540 2.407 -0.542
229 HE2 PHE 33 HE2 PHE 33 4.026 4.419 -4.105
230 HZ PHE 33 HZ PHE 33 5.880 4.022 -2.442
231 H ALA 34 H ALA 34 0.503 -1.688 -3.372
232 HA ALA 34 HA ALA 34 -1.443 -2.363 -1.272
233 1HB ALA 34 1HB ALA 34 -3.105 -3.034 -2.753
234 2HB ALA 34 2HB ALA 34 -2.196 -2.185 -4.005
235 3HB ALA 34 3HB ALA 34 -1.945 -3.912 -3.752
236 HA PRO 35 HA PRO 35 0.776 -5.785 -0.219
237 1HB PRO 35 1HB PRO 35 -1.124 -7.908 -0.899
238 2HB PRO 35 2HB PRO 35 -0.717 -7.272 0.690
239 1HG PRO 35 1HG PRO 35 -3.134 -6.797 -0.775
240 2HG PRO 35 2HG PRO 35 -2.657 -6.036 0.739
241 1HD PRO 35 1HD PRO 35 -2.726 -4.829 -1.926
242 2HD PRO 35 2HD PRO 35 -2.344 -4.041 -0.386
243 H ILE 36 H ILE 36 2.094 -5.279 -2.405
244 HA ILE 36 HA ILE 36 3.403 -7.347 -3.334
245 HB ILE 36 HB ILE 36 4.671 -5.611 -2.454
246 1HG1 ILE 36 1HG1 ILE 36 5.389 -8.120 -1.656
247 2HG1 ILE 36 2HG1 ILE 36 6.391 -6.692 -1.628
248 1HG2 ILE 36 1HG2 ILE 36 2.775 -5.727 -0.240
249 2HG2 ILE 36 2HG2 ILE 36 4.390 -5.230 0.307
250 3HG2 ILE 36 3HG2 ILE 36 3.557 -4.342 -0.931
251 1HD1 ILE 36 1HD1 ILE 36 4.529 -7.307 0.656
252 2HD1 ILE 36 2HD1 ILE 36 6.111 -8.112 0.548
253 3HD1 ILE 36 3HD1 ILE 36 6.009 -6.340 0.672
254 HA PRO 37 HA PRO 37 1.977 -11.240 -2.172
255 1HB PRO 37 1HB PRO 37 4.670 -11.460 -0.821
256 2HB PRO 37 2HB PRO 37 3.849 -12.659 -1.821
257 1HG PRO 37 1HG PRO 37 5.801 -10.815 -2.732
258 2HG PRO 37 2HG PRO 37 4.681 -11.672 -3.788
259 1HD PRO 37 1HD PRO 37 4.708 -8.840 -3.347
260 2HD PRO 37 2HD PRO 37 3.439 -9.758 -4.157
261 H HIS 38 H HIS 38 3.619 -12.157 0.366
262 HA HIS 38 HA HIS 38 1.855 -12.661 2.169
263 1HB HIS 38 1HB HIS 38 3.497 -11.862 4.032
264 2HB HIS 38 2HB HIS 38 3.891 -13.193 2.943
265 HD1 HIS 38 HD1 HIS 38 6.472 -12.504 3.837
266 HD2 HIS 38 HD2 HIS 38 4.475 -9.959 1.115
267 HE1 HIS 38 HE1 HIS 38 8.265 -10.961 2.838
268 H GLU 39 H GLU 39 3.242 -10.022 3.401
269 HA GLU 39 HA GLU 39 1.179 -10.421 5.193
270 1HB GLU 39 2HB GLU 39 2.843 -7.885 5.375
271 2HB GLU 39 1HB GLU 39 2.113 -8.784 6.713
272 1HG GLU 39 2HG GLU 39 3.594 -10.789 5.708
273 2HG GLU 39 1HG GLU 39 4.569 -9.461 5.099
274 HA PRO 40 HA PRO 40 -1.357 -6.573 4.747
275 1HB PRO 40 1HB PRO 40 -1.884 -6.336 7.549
276 2HB PRO 40 2HB PRO 40 -2.978 -7.001 6.344
277 1HG PRO 40 1HG PRO 40 -1.502 -8.435 8.414
278 2HG PRO 40 2HG PRO 40 -2.700 -9.078 7.297
279 1HD PRO 40 1HD PRO 40 0.200 -9.392 7.177
280 2HD PRO 40 2HD PRO 40 -1.010 -10.097 6.094
281 H HIS 41 H HIS 41 1.174 -5.605 4.462
282 HA HIS 41 HA HIS 41 -0.155 -3.265 5.467
283 1HB HIS 41 1HB HIS 41 2.068 -2.323 6.395
284 2HB HIS 41 2HB HIS 41 1.080 -3.342 7.435
285 HD1 HIS 41 HD1 HIS 41 1.947 -6.225 7.066
286 HD2 HIS 41 HD2 HIS 41 4.564 -2.937 6.590
287 HE1 HIS 41 HE1 HIS 41 4.332 -7.167 7.268
288 H ARG 42 H ARG 42 3.017 -3.256 4.956
289 HA ARG 42 HA ARG 42 4.386 -4.305 3.453
290 1HB ARG 42 2HB ARG 42 1.576 -4.987 2.512
291 2HB ARG 42 1HB ARG 42 2.959 -5.573 1.641
292 1HG ARG 42 1HG ARG 42 2.843 -5.937 4.626
293 2HG ARG 42 2HG ARG 42 1.905 -6.939 3.504
294 1HD ARG 42 2HD ARG 42 3.850 -8.173 3.018
295 2HD ARG 42 1HD ARG 42 4.653 -6.670 2.530
296 HE ARG 42 HE ARG 42 4.578 -6.983 5.397
297 1HH1 ARG 42 2HH1 ARG 42 6.288 -7.635 2.300
298 2HH1 ARG 42 1HH1 ARG 42 7.758 -7.149 3.078
299 1HH2 ARG 42 1HH2 ARG 42 6.589 -8.900 5.806
300 2HH2 ARG 42 2HH2 ARG 42 7.735 -7.611 5.660
301 H CYS 43 H CYS 43 1.891 -3.071 1.992
302 HA CYS 43 HA CYS 43 2.006 -3.057 -0.768
303 1HB CYS 43 2HB CYS 43 1.567 -0.673 -1.022
304 2HB CYS 43 1HB CYS 43 0.388 -1.436 0.052
305 H GLN 44 H GLN 44 3.183 -2.665 -2.408
306 HA GLN 44 HA GLN 44 5.497 -0.995 -1.984
307 1HB GLN 44 1HB GLN 44 6.338 -3.104 -1.118
308 2HB GLN 44 2HB GLN 44 5.770 -3.970 -2.508
309 1HG GLN 44 1HG GLN 44 7.646 -3.435 -3.741
310 2HG GLN 44 2HG GLN 44 7.602 -1.749 -3.232
311 1HE2 GLN 44 2HE2 GLN 44 8.257 -5.038 -1.767
312 2HE2 GLN 44 1HE2 GLN 44 8.685 -4.262 -0.254
313 H MET 45 H MET 45 6.232 -0.123 -3.912
314 HA MET 45 HA MET 45 3.681 0.718 -3.824
315 1HB MET 45 1HB MET 45 4.260 2.478 -5.586
316 2HB MET 45 2HB MET 45 5.537 2.258 -4.407
317 1HG MET 45 1HG MET 45 6.949 1.960 -6.137
318 2HG MET 45 2HG MET 45 6.226 0.374 -6.322
319 1HE MET 45 1HE MET 45 6.797 0.080 -8.578
320 2HE MET 45 2HE MET 45 5.102 -0.416 -8.460
321 3HE MET 45 3HE MET 45 5.659 0.507 -9.868
322 H PHE 46 H PHE 46 2.030 -0.774 -4.579
323 HA PHE 46 HA PHE 46 2.507 -3.007 -5.736
324 1HB PHE 46 2HB PHE 46 0.191 -2.312 -5.286
325 2HB PHE 46 1HB PHE 46 0.241 -1.149 -6.597
326 HD1 PHE 46 HD1 PHE 46 -1.938 -2.170 -7.340
327 HD2 PHE 46 HD2 PHE 46 1.817 -4.387 -7.347
328 HE1 PHE 46 HE1 PHE 46 -2.920 -3.825 -8.961
329 HE2 PHE 46 HE2 PHE 46 0.852 -6.017 -9.002
330 HZ PHE 46 HZ PHE 46 -1.527 -5.753 -9.788
331 H CYS 47 H CYS 47 4.598 -2.460 -7.091
332 HA CYS 47 HA CYS 47 3.295 -3.619 -9.441
333 1HB CYS 47 2HB CYS 47 5.760 -1.811 -9.716
334 2HB CYS 47 1HB CYS 47 5.019 -2.706 -11.023
335 H ASN 48 H ASN 48 5.159 -4.907 -10.788
336 HA ASN 48 HA ASN 48 5.946 -6.614 -8.511
337 1HB ASN 48 2HB ASN 48 3.404 -6.773 -9.480
338 2HB ASN 48 1HB ASN 48 4.180 -7.852 -10.635
339 1HD2 ASN 48 HD2 ASN 48 4.388 -7.473 -6.850
340 H GLN 49 H GLN 49 5.386 -6.808 -12.071
341 HA GLN 49 HA GLN 49 7.743 -8.605 -12.026
342 1HB GLN 49 2HB GLN 49 6.582 -10.178 -13.275
343 2HB GLN 49 1HB GLN 49 5.206 -9.405 -12.531
344 1HG GLN 49 2HG GLN 49 4.840 -8.002 -14.536
345 2HG GLN 49 1HG GLN 49 6.305 -8.632 -15.283
346 1HE2 GLN 49 2HE2 GLN 49 3.018 -8.909 -15.197
347 2HE2 GLN 49 1HE2 GLN 49 2.757 -10.640 -15.094
348 H THR 50 H THR 50 9.426 -8.180 -13.385
349 HA THR 50 HA THR 50 10.740 -6.437 -14.025
350 HB THR 50 HB THR 50 8.749 -5.286 -15.927
351 HG1 THR 50 HG1 THR 50 9.404 -7.986 -15.877
352 1HG2 THR 50 1HG2 THR 50 11.109 -4.763 -16.268
353 2HG2 THR 50 2HG2 THR 50 10.634 -5.868 -17.557
354 3HG2 THR 50 3HG2 THR 50 11.559 -6.466 -16.181
355 H ALA 51 H ALA 51 8.501 -5.820 -11.900
356 HA ALA 51 HA ALA 51 6.599 -4.491 -11.818
357 1HB ALA 51 1HB ALA 51 7.359 -2.122 -11.104
358 2HB ALA 51 2HB ALA 51 9.004 -2.614 -11.513
359 3HB ALA 51 3HB ALA 51 8.126 -3.444 -10.225
360 H CYS 52 H CYS 52 6.334 -1.723 -12.349
361 HA CYS 52 HA CYS 52 5.079 -2.678 -14.807
362 1HB CYS 52 1HB CYS 52 3.198 -1.200 -14.033
363 2HB CYS 52 2HB CYS 52 3.703 -2.321 -12.789
364 HA PRO 53 HA PRO 53 5.234 1.749 -16.240
365 1HB PRO 53 2HB PRO 53 2.813 1.567 -17.690
366 2HB PRO 53 1HB PRO 53 4.423 1.500 -18.401
367 1HG PRO 53 2HG PRO 53 2.489 -0.677 -18.002
368 2HG PRO 53 1HG PRO 53 3.943 -0.664 -19.005
369 1HD PRO 53 2HD PRO 53 3.609 -1.954 -16.434
370 2HD PRO 53 1HD PRO 53 5.106 -1.840 -17.377
371 H ALA 54 H ALA 54 3.965 3.422 -15.617
372 HA ALA 54 HA ALA 54 2.554 3.260 -13.346
373 1HB ALA 54 1HB ALA 54 1.924 5.443 -13.625
374 2HB ALA 54 2HB ALA 54 1.064 5.102 -15.122
375 3HB ALA 54 3HB ALA 54 2.818 5.352 -15.155
376 H ASP 55 H ASP 55 -0.072 2.992 -12.784
377 HA ASP 55 HA ASP 55 -0.920 4.683 -14.943
378 1HB ASP 55 1HB ASP 55 -1.442 2.076 -15.370
379 2HB ASP 55 2HB ASP 55 -2.713 2.356 -14.201
380 H CYS 56 H CYS 56 -0.660 5.904 -12.434
381 HA CYS 56 HA CYS 56 -2.713 6.017 -10.942
382 1HB CYS 56 2HB CYS 56 -2.171 8.554 -12.392
383 2HB CYS 56 1HB CYS 56 -2.040 8.129 -10.672
384 H ASP 57 H ASP 57 -4.189 8.481 -11.855
385 HA ASP 57 HA ASP 57 -6.097 6.393 -11.550
386 1HB ASP 57 2HB ASP 57 -6.140 8.467 -10.166
387 2HB ASP 57 1HB ASP 57 -6.491 9.440 -11.588
388 HA PRO 58 HA PRO 58 -5.468 8.553 -15.459
389 1HB PRO 58 2HB PRO 58 -6.229 11.324 -15.266
390 2HB PRO 58 1HB PRO 58 -6.688 10.188 -16.523
391 1HG PRO 58 2HG PRO 58 -8.369 11.269 -14.406
392 2HG PRO 58 1HG PRO 58 -8.840 10.207 -15.726
393 1HD PRO 58 2HD PRO 58 -8.454 9.500 -12.921
394 2HD PRO 58 1HD PRO 58 -8.996 8.445 -14.238
395 H ASN 59 H ASN 59 -6.177 11.063 -12.880
396 HA ASN 59 HA ASN 59 -3.652 11.931 -13.838
397 1HB ASN 59 1HB ASN 59 -6.195 13.095 -13.278
398 2HB ASN 59 2HB ASN 59 -5.142 13.755 -12.010
399 1HD2 ASN 59 1HD2 ASN 59 -2.923 13.330 -13.946
400 2HD2 ASN 59 2HD2 ASN 59 -2.735 14.976 -14.565
401 H THR 60 H THR 60 -5.324 11.797 -11.097
402 HA THR 60 HA THR 60 -3.069 12.905 -9.555
403 HB THR 60 HB THR 60 -4.564 14.599 -9.777
404 HG1 THR 60 HG1 THR 60 -5.435 13.460 -7.390
405 1HG2 THR 60 1HG2 THR 60 -6.489 12.342 -9.623
406 2HG2 THR 60 2HG2 THR 60 -6.558 13.804 -10.613
407 3HG2 THR 60 3HG2 THR 60 -7.058 13.862 -8.905
408 H GLN 61 H GLN 61 -5.855 12.236 -8.159
409 HA GLN 61 HA GLN 61 -6.618 11.003 -6.284
410 1HB GLN 61 1HB GLN 61 -6.921 9.103 -7.594
411 2HB GLN 61 2HB GLN 61 -5.276 9.102 -8.165
412 1HG GLN 61 2HG GLN 61 -4.483 8.106 -6.045
413 2HG GLN 61 1HG GLN 61 -6.088 8.234 -5.346
414 1HE2 GLN 61 1HE2 GLN 61 -7.548 6.134 -5.796
415 2HE2 GLN 61 2HE2 GLN 61 -6.095 5.175 -5.582
416 H ALA 62 H ALA 62 -3.955 12.421 -5.873
417 HA ALA 62 HA ALA 62 -1.709 11.725 -5.913
418 1HB ALA 62 1HB ALA 62 -2.888 12.133 -3.346
419 2HB ALA 62 2HB ALA 62 -1.170 12.251 -3.726
420 3HB ALA 62 3HB ALA 62 -1.840 10.727 -3.144
421 H SER 63 H SER 63 -0.885 10.132 -7.028
422 HA SER 63 HA SER 63 -1.285 7.395 -6.194
423 1HB SER 63 2HB SER 63 -3.411 8.671 -7.628
424 2HB SER 63 1HB SER 63 -2.595 7.657 -8.818
425 HG SER 63 HG SER 63 -3.734 6.921 -6.378
426 H CYS 64 H CYS 64 0.913 9.218 -7.159
427 HA CYS 64 HA CYS 64 1.864 6.792 -8.428
428 1HB CYS 64 2HB CYS 64 2.896 9.273 -9.759
429 2HB CYS 64 1HB CYS 64 2.528 7.715 -10.474
430 H GLU 65 H GLU 65 2.778 6.722 -6.210
431 HA GLU 65 HA GLU 65 4.163 8.870 -5.160
432 1HB GLU 65 2HB GLU 65 3.501 6.334 -4.280
433 2HB GLU 65 1HB GLU 65 5.211 6.129 -4.509
434 1HG GLU 65 2HG GLU 65 3.771 7.866 -2.502
435 2HG GLU 65 1HG GLU 65 5.192 6.848 -2.279
436 H CYS 66 H CYS 66 5.090 6.608 -7.281
437 HA CYS 66 HA CYS 66 7.246 6.023 -5.740
438 1HB CYS 66 1HB CYS 66 6.900 4.328 -8.130
439 2HB CYS 66 2HB CYS 66 6.635 3.962 -6.424
440 HA PRO 67 HA PRO 67 10.702 7.412 -7.060
441 1HB PRO 67 1HB PRO 67 9.853 9.922 -5.843
442 2HB PRO 67 2HB PRO 67 10.970 9.689 -7.204
443 1HG PRO 67 2HG PRO 67 8.242 10.661 -7.296
444 2HG PRO 67 1HG PRO 67 9.349 10.441 -8.647
445 1HD PRO 67 2HD PRO 67 7.040 8.811 -8.007
446 2HD PRO 67 1HD PRO 67 8.195 8.554 -9.320
447 H GLU 68 H GLU 68 11.303 8.108 -4.265
448 HA GLU 68 HA GLU 68 11.873 5.722 -5.124
449 1HB GLU 68 2HB GLU 68 11.261 5.849 -2.140
450 2HB GLU 68 1HB GLU 68 12.603 5.054 -2.921
451 1HG GLU 68 2HG GLU 68 13.672 7.201 -3.446
452 2HG GLU 68 1HG GLU 68 12.257 8.095 -2.898
453 H GLY 69 H GLY 69 9.097 4.938 -6.054
454 1HA GLY 69 1HA GLY 69 11.567 3.453 -5.479
455 2HA GLY 69 2HA GLY 69 10.100 2.479 -5.805
456 H TYR 70 H TYR 70 10.641 5.606 -7.337
457 HA TYR 70 HA TYR 70 11.144 5.768 -9.705
458 1HB TYR 70 2HB TYR 70 13.396 6.639 -9.585
459 2HB TYR 70 1HB TYR 70 12.678 6.923 -8.012
460 HD1 TYR 70 HD1 TYR 70 15.636 5.995 -9.531
461 HD2 TYR 70 HD2 TYR 70 12.937 4.617 -6.399
462 HE1 TYR 70 HE1 TYR 70 17.525 4.713 -8.473
463 HE2 TYR 70 HE2 TYR 70 14.831 3.352 -5.321
464 HH TYR 70 HH TYR 70 17.478 2.421 -6.720
465 H ILE 71 H ILE 71 11.516 3.174 -11.530
466 HA ILE 71 HA ILE 71 12.416 5.972 -11.225
467 HB ILE 71 HB ILE 71 13.316 3.885 -13.218
468 1HG1 ILE 71 1HG1 ILE 71 14.559 4.973 -11.062
469 2HG1 ILE 71 2HG1 ILE 71 15.393 4.284 -12.434
470 1HG2 ILE 71 1HG2 ILE 71 12.587 5.457 -14.813
471 2HG2 ILE 71 2HG2 ILE 71 14.277 5.906 -14.579
472 3HG2 ILE 71 3HG2 ILE 71 13.000 6.839 -13.799
473 1HD1 ILE 71 1HD1 ILE 71 15.983 6.385 -13.320
474 2HD1 ILE 71 2HD1 ILE 71 15.991 6.753 -11.597
475 3HD1 ILE 71 3HD1 ILE 71 14.603 7.203 -12.587
476 H LEU 72 H LEU 72 10.522 7.114 -11.546
477 HA LEU 72 HA LEU 72 8.686 7.028 -13.451
478 1HB LEU 72 2HB LEU 72 10.693 9.197 -12.840
479 2HB LEU 72 1HB LEU 72 9.624 9.450 -14.201
480 HG LEU 72 HG LEU 72 9.149 9.946 -11.463
481 1HD1 LEU 72 1HD2 LEU 72 8.100 11.533 -12.707
482 2HD1 LEU 72 2HD2 LEU 72 6.745 10.402 -12.763
483 3HD1 LEU 72 3HD2 LEU 72 7.905 10.456 -14.092
484 1HD2 LEU 72 1HD1 LEU 72 8.393 7.553 -11.372
485 2HD2 LEU 72 2HD1 LEU 72 7.157 7.950 -12.573
486 3HD2 LEU 72 3HD1 LEU 72 7.120 8.729 -10.986
487 H ASP 73 H ASP 73 9.414 5.628 -16.024
488 HA ASP 73 HA ASP 73 7.743 7.758 -15.186
489 1HB ASP 73 2HB ASP 73 7.898 9.121 -17.381
490 2HB ASP 73 1HB ASP 73 9.197 9.329 -16.212
491 H ASP 74 H ASP 74 7.836 7.467 -18.330
492 HA ASP 74 HA ASP 74 5.137 7.554 -18.380
493 1HB ASP 74 2HB ASP 74 5.071 7.142 -20.840
494 2HB ASP 74 1HB ASP 74 6.585 7.966 -20.472
495 H GLY 75 H GLY 75 4.305 5.055 -16.791
496 1HA GLY 75 2HA GLY 75 3.262 6.938 -18.810
497 2HA GLY 75 1HA GLY 75 2.168 5.946 -17.802
498 H PHE 76 H PHE 76 4.528 6.644 -15.983
499 HA PHE 76 HA PHE 76 4.373 8.933 -14.508
500 1HB PHE 76 2HB PHE 76 1.676 8.163 -14.927
501 2HB PHE 76 1HB PHE 76 2.006 7.604 -13.301
502 HD1 PHE 76 HD1 PHE 76 3.534 9.441 -11.866
503 HD2 PHE 76 HD2 PHE 76 0.747 10.301 -15.107
504 HE1 PHE 76 HE1 PHE 76 3.263 11.790 -11.006
505 HE2 PHE 76 HE2 PHE 76 0.474 12.652 -14.250
506 HZ PHE 76 HZ PHE 76 1.728 13.396 -12.195
507 H ILE 77 H ILE 77 5.866 6.482 -14.584
508 HA ILE 77 HA ILE 77 4.212 4.541 -13.921
509 HB ILE 77 HB ILE 77 6.022 3.916 -15.173
510 1HG1 ILE 77 1HG1 ILE 77 6.081 2.546 -12.534
511 2HG1 ILE 77 2HG1 ILE 77 5.654 1.930 -14.114
512 1HG2 ILE 77 1HG2 ILE 77 8.365 4.157 -14.527
513 2HG2 ILE 77 2HG2 ILE 77 7.881 4.794 -12.943
514 3HG2 ILE 77 3HG2 ILE 77 7.545 5.712 -14.411
515 1HD1 ILE 77 1HD1 ILE 77 8.499 2.653 -13.223
516 2HD1 ILE 77 2HD1 ILE 77 8.059 1.947 -14.779
517 3HD1 ILE 77 3HD1 ILE 77 7.851 1.016 -13.296
518 H CYS 78 H CYS 78 4.166 2.858 -12.290
519 HA CYS 78 HA CYS 78 4.359 3.312 -9.626
520 1HB CYS 78 2HB CYS 78 2.923 5.571 -10.928
521 2HB CYS 78 1HB CYS 78 2.132 4.968 -9.483
522 H THR 79 H THR 79 2.485 2.149 -12.211
523 HA THR 79 HA THR 79 1.479 0.217 -10.364
524 HB THR 79 HB THR 79 -0.840 1.481 -11.790
525 HG1 THR 79 HG1 THR 79 -0.997 2.956 -10.021
526 1HG2 THR 79 1HG2 THR 79 -0.918 0.930 -8.853
527 2HG2 THR 79 2HG2 THR 79 -0.645 -0.482 -9.874
528 3HG2 THR 79 3HG2 THR 79 -2.086 0.509 -10.106
529 H ASP 80 H ASP 80 2.362 -1.413 -11.791
530 HA ASP 80 HA ASP 80 1.217 -2.115 -14.141
531 1HB ASP 80 2HB ASP 80 2.429 -3.839 -12.996
532 2HB ASP 80 1HB ASP 80 1.435 -3.670 -11.540
533 H ILE 81 H ILE 81 -0.707 -1.001 -14.645
534 HA ILE 81 HA ILE 81 -3.198 -1.372 -13.840
535 HB ILE 81 HB ILE 81 -2.366 -2.702 -16.438
536 1HG1 ILE 81 2HG1 ILE 81 -2.768 -0.063 -17.119
537 2HG1 ILE 81 1HG1 ILE 81 -1.943 0.099 -15.587
538 1HG2 ILE 81 1HG2 ILE 81 -4.668 -2.813 -16.464
539 2HG2 ILE 81 2HG2 ILE 81 -4.500 -1.171 -17.084
540 3HG2 ILE 81 3HG2 ILE 81 -4.864 -1.437 -15.378
541 1HD1 ILE 81 1HD1 ILE 81 -0.710 -1.949 -17.361
542 2HD1 ILE 81 2HD1 ILE 81 0.059 -0.646 -16.452
543 3HD1 ILE 81 3HD1 ILE 81 -0.671 -0.314 -18.023
544 H ASP 82 H ASP 82 -4.770 -3.313 -14.724
545 HA ASP 82 HA ASP 82 -4.018 -4.915 -12.389
546 1HB ASP 82 1HB ASP 82 -6.298 -3.557 -12.802
547 2HB ASP 82 2HB ASP 82 -6.782 -5.010 -13.671
548 H GLU 83 H GLU 83 -2.657 -5.892 -14.779
549 HA GLU 83 HA GLU 83 -3.675 -8.503 -13.895
550 1HB GLU 83 1HB GLU 83 -1.310 -7.531 -15.479
551 2HB GLU 83 2HB GLU 83 -1.029 -8.965 -14.521
552 1HG GLU 83 1HG GLU 83 -3.448 -9.617 -15.697
553 2HG GLU 83 2HG GLU 83 -2.717 -8.629 -16.958
554 H1 NAG 121 H1 ASN 21 -12.624 4.569 8.394
555 H2 NAG 121 H2 ASN 21 -14.946 3.369 7.180
556 H3 NAG 121 H3 ASN 21 -15.386 5.205 5.456
557 H4 NAG 121 H4 ASN 21 -15.052 7.564 6.408
558 H5 NAG 121 H5 ASN 21 -12.611 6.815 7.822
559 1H6 NAG 121 1H6 ASN 21 -15.038 8.305 8.920
560 2H6 NAG 121 2H6 ASN 21 -13.874 9.071 7.841
561 1H8 NAG 121 1H8 ASN 21 -11.757 1.278 5.112
562 2H8 NAG 121 2H8 ASN 21 -11.498 2.262 6.564
563 3H8 NAG 121 3H8 ASN 21 -12.682 0.957 6.586
564 HN2 NAG 121 HN2 ASN 21 -12.498 4.527 5.985
565 HO4 NAG 121 HO4 ASN 21 -12.983 7.624 5.621
566 HO3 NAG 121 HO3 ASN 21 -16.788 6.298 6.854
567 HO6 NAG 121 H6 ASN 21 -13.657 8.314 10.441
568 H1 NAG 148 H1 ASN 48 2.777 -8.906 -5.830
569 H2 NAG 148 H2 ASN 48 1.901 -6.694 -7.447
570 H3 NAG 148 H3 ASN 48 -0.523 -7.432 -7.736
571 H4 NAG 148 H4 ASN 48 -0.735 -9.966 -8.167
572 H5 NAG 148 H5 ASN 48 1.177 -10.552 -6.024
573 1H6 NAG 148 1H6 ASN 48 0.751 -11.685 -8.835
574 2H6 NAG 148 2H6 ASN 48 0.066 -12.327 -7.342
575 1H8 NAG 148 1H8 ASN 48 -0.358 -5.044 -5.604
576 2H8 NAG 148 2H8 ASN 48 -0.139 -5.409 -3.891
577 3H8 NAG 148 3H8 ASN 48 0.794 -4.100 -4.640
578 HN2 NAG 148 HN2 ASN 48 0.382 -7.810 -5.188
579 HO4 NAG 148 HO4 ASN 48 -0.904 -8.501 -5.976
580 HO3 NAG 148 HO3 ASN 48 0.583 -9.060 -9.469
581 HO6 NAG 148 H6 ASN 48 2.758 -11.983 -7.306
Start of MODEL 5
1 1H HIS 1 1H HIS 1 3.029 -9.949 24.356
2 2H HIS 1 2H HIS 1 2.876 -10.212 22.685
3 3H HIS 1 3H HIS 1 3.237 -11.509 23.719
4 HA HIS 1 HA HIS 1 5.215 -10.011 24.363
5 1HB HIS 1 1HB HIS 1 5.026 -12.359 23.067
6 2HB HIS 1 2HB HIS 1 5.511 -11.390 21.694
7 HD2 HIS 1 HD2 HIS 1 8.078 -11.123 21.429
8 HE1 HIS 1 HE1 HIS 1 9.377 -11.892 25.449
9 HE2 HIS 1 HE2 HIS 1 10.190 -11.400 23.056
10 H MET 2 H MET 2 7.026 -8.506 22.574
11 HA MET 2 HA MET 2 5.408 -7.528 24.646
12 1HB MET 2 2HB MET 2 7.863 -6.581 23.201
13 2HB MET 2 1HB MET 2 6.986 -5.335 24.056
14 1HG MET 2 1HG MET 2 7.554 -6.165 26.131
15 2HG MET 2 2HG MET 2 7.378 -7.837 25.627
16 1HE MET 2 1HE MET 2 9.869 -4.703 24.594
17 2HE MET 2 2HE MET 2 11.032 -5.210 25.831
18 3HE MET 2 3HE MET 2 9.349 -4.884 26.278
19 H GLU 3 H GLU 3 3.659 -5.978 24.693
20 HA GLU 3 HA GLU 3 4.898 -3.624 23.955
21 1HB GLU 3 1HB GLU 3 2.958 -4.663 21.913
22 2HB GLU 3 2HB GLU 3 2.804 -2.949 22.274
23 1HG GLU 3 1HG GLU 3 5.617 -3.479 21.983
24 2HG GLU 3 2HG GLU 3 4.812 -4.291 20.650
25 HA PRO 4 HA PRO 4 1.052 -1.875 25.946
26 1HB PRO 4 1HB PRO 4 0.873 0.291 24.063
27 2HB PRO 4 2HB PRO 4 1.430 0.386 25.729
28 1HG PRO 4 1HG PRO 4 3.011 0.461 23.266
29 2HG PRO 4 2HG PRO 4 3.551 0.775 24.922
30 1HD PRO 4 1HD PRO 4 4.132 -1.548 23.338
31 2HD PRO 4 2HD PRO 4 4.502 -1.323 25.054
32 H VAL 5 H VAL 5 1.010 -3.914 24.201
33 HA VAL 5 HA VAL 5 0.503 -3.720 21.647
34 HB VAL 5 HB VAL 5 0.515 -5.879 22.420
35 1HG1 VAL 5 1HG1 VAL 5 -0.957 -6.856 24.133
36 2HG1 VAL 5 2HG1 VAL 5 -0.287 -5.357 24.760
37 3HG1 VAL 5 3HG1 VAL 5 -1.947 -5.400 24.171
38 1HG2 VAL 5 1HG2 VAL 5 -1.582 -5.187 20.754
39 2HG2 VAL 5 2HG2 VAL 5 -0.982 -6.820 21.026
40 3HG2 VAL 5 3HG2 VAL 5 -2.361 -6.223 21.953
41 H ASP 6 H ASP 6 -0.597 -2.483 20.479
42 HA ASP 6 HA ASP 6 -2.930 -1.924 19.623
43 1HB ASP 6 2HB ASP 6 -2.070 -2.966 17.787
44 2HB ASP 6 1HB ASP 6 -1.000 -3.882 18.804
45 HA PRO 7 HA PRO 7 -5.586 -4.037 18.550
46 1HB PRO 7 1HB PRO 7 -7.295 -1.777 18.497
47 2HB PRO 7 2HB PRO 7 -7.728 -3.397 19.037
48 1HG PRO 7 1HG PRO 7 -7.230 -0.998 20.625
49 2HG PRO 7 2HG PRO 7 -7.942 -2.549 21.131
50 1HD PRO 7 1HD PRO 7 -5.277 -1.565 21.711
51 2HD PRO 7 2HD PRO 7 -5.942 -3.159 22.131
52 H CYS 8 H CYS 8 -4.544 -3.667 17.164
53 HA CYS 8 HA CYS 8 -3.477 -2.861 15.171
54 1HB CYS 8 2HB CYS 8 -5.853 -2.431 15.100
55 2HB CYS 8 1HB CYS 8 -5.647 -0.959 16.018
56 H PHE 9 H PHE 9 -3.257 -0.996 17.900
57 HA PHE 9 HA PHE 9 -1.615 1.112 17.513
58 1HB PHE 9 1HB PHE 9 -2.113 -0.121 19.695
59 2HB PHE 9 2HB PHE 9 -0.671 -1.087 19.342
60 HD1 PHE 9 HD1 PHE 9 -1.594 2.601 19.133
61 HD2 PHE 9 HD2 PHE 9 1.242 -0.418 20.496
62 HE1 PHE 9 HE1 PHE 9 -0.141 4.409 20.111
63 HE2 PHE 9 HE2 PHE 9 2.711 1.392 21.452
64 HZ PHE 9 HZ PHE 9 2.014 3.803 21.267
65 H ARG 10 H ARG 10 0.810 -0.504 18.505
66 HA ARG 10 HA ARG 10 2.791 -1.418 17.413
67 1HB ARG 10 2HB ARG 10 0.754 -2.845 18.691
68 2HB ARG 10 1HB ARG 10 1.127 -3.843 17.283
69 1HG ARG 10 2HG ARG 10 3.649 -3.042 18.335
70 2HG ARG 10 1HG ARG 10 2.673 -3.348 19.734
71 1HD ARG 10 1HD ARG 10 3.947 -5.411 18.829
72 2HD ARG 10 2HD ARG 10 2.198 -5.665 18.989
73 HE ARG 10 HE ARG 10 3.424 -4.917 16.393
74 1HH1 ARG 10 1HH2 ARG 10 0.241 -5.955 17.468
75 2HH1 ARG 10 2HH2 ARG 10 0.267 -6.271 15.765
76 1HH2 ARG 10 2HH1 ARG 10 3.361 -7.949 16.863
77 2HH2 ARG 10 1HH1 ARG 10 2.109 -8.160 15.685
78 H ALA 11 H ALA 11 -0.004 -2.331 16.197
79 HA ALA 11 HA ALA 11 -0.369 -4.024 14.314
80 1HB ALA 11 1HB ALA 11 -0.352 -1.098 13.432
81 2HB ALA 11 2HB ALA 11 -0.886 -2.375 12.335
82 3HB ALA 11 3HB ALA 11 -1.741 -2.099 13.850
83 H ASN 12 H ASN 12 0.470 -3.063 11.483
84 HA ASN 12 HA ASN 12 3.095 -2.006 11.964
85 1HB ASN 12 1HB ASN 12 2.789 -4.812 10.915
86 2HB ASN 12 2HB ASN 12 3.996 -3.820 10.103
87 1HD2 ASN 12 1HD2 ASN 12 3.673 -5.610 13.423
88 2HD2 ASN 12 2HD2 ASN 12 4.922 -6.129 12.307
89 H CYS 13 H CYS 13 0.476 -1.419 10.662
90 HA CYS 13 HA CYS 13 0.357 -1.223 8.059
91 1HB CYS 13 1HB CYS 13 -0.001 1.300 9.784
92 2HB CYS 13 2HB CYS 13 -0.830 0.868 8.274
93 H GLU 14 H GLU 14 2.258 -1.406 7.042
94 HA GLU 14 HA GLU 14 3.680 0.212 5.609
95 1HB GLU 14 2HB GLU 14 2.120 -1.299 4.401
96 2HB GLU 14 1HB GLU 14 0.782 -0.339 4.926
97 1HG GLU 14 1HG GLU 14 1.115 0.349 2.672
98 2HG GLU 14 2HG GLU 14 1.890 1.638 3.566
99 H TYR 15 H TYR 15 0.421 1.390 5.206
100 HA TYR 15 HA TYR 15 1.044 4.089 6.076
101 1HB TYR 15 2HB TYR 15 -0.634 3.115 4.285
102 2HB TYR 15 1HB TYR 15 -1.744 2.937 5.616
103 HD1 TYR 15 HD1 TYR 15 -2.264 5.255 6.994
104 HD2 TYR 15 HD2 TYR 15 -0.291 5.061 3.102
105 HE1 TYR 15 HE1 TYR 15 -3.025 7.579 6.497
106 HE2 TYR 15 HE2 TYR 15 -1.060 7.407 2.606
107 HH TYR 15 HH TYR 15 -3.393 8.939 3.933
108 H GLN 16 H GLN 16 -1.813 3.672 7.143
109 HA GLN 16 HA GLN 16 -0.902 3.074 9.916
110 1HB GLN 16 1HB GLN 16 -1.860 5.441 9.007
111 2HB GLN 16 2HB GLN 16 -3.361 4.737 9.593
112 1HG GLN 16 1HG GLN 16 -2.156 4.309 11.822
113 2HG GLN 16 2HG GLN 16 -0.718 5.052 11.149
114 1HE2 GLN 16 2HE2 GLN 16 -3.653 5.711 12.869
115 2HE2 GLN 16 1HE2 GLN 16 -4.229 7.042 11.883
116 H CYS 17 H CYS 17 -3.218 3.435 11.037
117 HA CYS 17 HA CYS 17 -3.568 0.488 11.046
118 1HB CYS 17 1HB CYS 17 -2.403 0.766 12.978
119 2HB CYS 17 2HB CYS 17 -2.783 2.472 13.077
120 H GLN 18 H GLN 18 -5.496 0.101 10.123
121 HA GLN 18 HA GLN 18 -7.839 1.222 11.477
122 1HB GLN 18 1HB GLN 18 -7.569 0.996 8.930
123 2HB GLN 18 2HB GLN 18 -7.730 -0.742 9.177
124 1HG GLN 18 1HG GLN 18 -9.962 -0.084 8.665
125 2HG GLN 18 2HG GLN 18 -9.973 -0.139 10.424
126 1HE2 GLN 18 1HE2 GLN 18 -8.296 2.625 8.680
127 2HE2 GLN 18 2HE2 GLN 18 -9.842 3.103 8.007
128 HA PRO 19 HA PRO 19 -8.392 -2.565 13.934
129 1HB PRO 19 1HB PRO 19 -10.488 -0.824 15.055
130 2HB PRO 19 2HB PRO 19 -9.226 -1.741 15.873
131 1HG PRO 19 1HG PRO 19 -9.149 1.022 15.540
132 2HG PRO 19 2HG PRO 19 -7.721 0.006 15.791
133 1HD PRO 19 1HD PRO 19 -8.647 1.324 13.288
134 2HD PRO 19 2HD PRO 19 -7.017 0.772 13.718
135 H LEU 20 H LEU 20 -9.240 -3.005 11.398
136 HA LEU 20 HA LEU 20 -10.083 -5.184 11.700
137 1HB LEU 20 1HB LEU 20 -10.838 -5.264 13.869
138 2HB LEU 20 2HB LEU 20 -11.886 -3.867 13.698
139 HG LEU 20 HG LEU 20 -12.587 -6.078 11.931
140 1HD1 LEU 20 1HD1 LEU 20 -12.996 -6.583 14.900
141 2HD1 LEU 20 2HD1 LEU 20 -13.317 -7.683 13.559
142 3HD1 LEU 20 3HD1 LEU 20 -11.655 -7.279 13.991
143 1HD2 LEU 20 1HD2 LEU 20 -13.884 -3.872 12.989
144 2HD2 LEU 20 2HD2 LEU 20 -14.705 -5.241 12.232
145 3HD2 LEU 20 3HD2 LEU 20 -14.530 -5.171 13.985
146 H ASN 21 H ASN 21 -12.236 -2.981 11.689
147 HA ASN 21 HA ASN 21 -14.219 -2.367 10.290
148 1HB ASN 21 2HB ASN 21 -11.948 -2.462 8.823
149 2HB ASN 21 1HB ASN 21 -12.820 -3.797 8.033
150 1HD2 ASN 21 HD2 ASN 21 -12.085 -1.067 7.015
151 H GLN 22 H GLN 22 -13.442 -5.706 10.651
152 HA GLN 22 HA GLN 22 -14.933 -7.472 9.807
153 1HB GLN 22 1HB GLN 22 -15.401 -5.345 7.686
154 2HB GLN 22 2HB GLN 22 -15.646 -7.029 7.287
155 1HG GLN 22 1HG GLN 22 -16.961 -6.493 9.822
156 2HG GLN 22 2HG GLN 22 -17.470 -5.286 8.646
157 1HE2 GLN 22 1HE2 GLN 22 -19.804 -7.006 8.843
158 2HE2 GLN 22 2HE2 GLN 22 -19.576 -6.536 7.169
159 H THR 23 H THR 23 -12.715 -5.390 8.022
160 HA THR 23 HA THR 23 -11.199 -7.394 6.801
161 HB THR 23 HB THR 23 -9.699 -5.292 8.360
162 HG1 THR 23 HG1 THR 23 -10.432 -3.816 6.705
163 1HG2 THR 23 1HG2 THR 23 -9.540 -6.564 5.628
164 2HG2 THR 23 2HG2 THR 23 -8.949 -4.911 5.790
165 3HG2 THR 23 3HG2 THR 23 -8.244 -6.199 6.769
166 H SER 24 H SER 24 -11.528 -6.521 9.928
167 HA SER 24 HA SER 24 -10.512 -7.033 11.967
168 1HB SER 24 1HB SER 24 -10.147 -9.259 12.531
169 2HB SER 24 2HB SER 24 -11.565 -9.109 11.514
170 HG SER 24 HG SER 24 -9.771 -10.779 11.138
171 H TYR 25 H TYR 25 -8.613 -6.702 12.817
172 HA TYR 25 HA TYR 25 -8.404 -4.632 11.019
173 1HB TYR 25 2HB TYR 25 -7.037 -3.461 12.814
174 2HB TYR 25 1HB TYR 25 -8.289 -4.489 13.525
175 HD1 TYR 25 HD1 TYR 25 -7.712 -6.703 14.569
176 HD2 TYR 25 HD2 TYR 25 -4.670 -3.952 13.087
177 HE1 TYR 25 HE1 TYR 25 -5.946 -7.981 15.826
178 HE2 TYR 25 HE2 TYR 25 -2.901 -5.233 14.338
179 HH TYR 25 HH TYR 25 -2.541 -7.449 15.340
180 H LEU 26 H LEU 26 -6.894 -3.458 10.183
181 HA LEU 26 HA LEU 26 -5.616 -5.528 8.549
182 1HB LEU 26 2HB LEU 26 -6.622 -4.487 6.668
183 2HB LEU 26 1HB LEU 26 -7.770 -4.656 8.010
184 HG LEU 26 HG LEU 26 -6.593 -2.135 8.344
185 1HD1 LEU 26 1HD1 LEU 26 -7.885 -2.301 5.616
186 2HD1 LEU 26 2HD1 LEU 26 -6.872 -1.016 6.290
187 3HD1 LEU 26 3HD1 LEU 26 -6.144 -2.551 5.786
188 1HD2 LEU 26 1HD2 LEU 26 -8.777 -2.537 9.146
189 2HD2 LEU 26 2HD2 LEU 26 -9.129 -1.603 7.680
190 3HD2 LEU 26 3HD2 LEU 26 -9.268 -3.369 7.674
191 H CYS 27 H CYS 27 -4.945 -3.196 6.622
192 HA CYS 27 HA CYS 27 -4.192 -1.211 8.636
193 1HB CYS 27 1HB CYS 27 -2.133 -2.219 6.677
194 2HB CYS 27 2HB CYS 27 -2.045 -0.561 7.293
195 H VAL 28 H VAL 28 -4.442 0.789 8.092
196 HA VAL 28 HA VAL 28 -6.316 1.401 6.104
197 HB VAL 28 HB VAL 28 -6.264 3.568 6.934
198 1HG1 VAL 28 1HG1 VAL 28 -6.494 2.895 9.077
199 2HG1 VAL 28 2HG1 VAL 28 -5.081 1.866 9.103
200 3HG1 VAL 28 3HG1 VAL 28 -4.913 3.599 9.243
201 1HG2 VAL 28 1HG2 VAL 28 -4.433 4.557 6.002
202 2HG2 VAL 28 2HG2 VAL 28 -4.030 4.653 7.717
203 3HG2 VAL 28 3HG2 VAL 28 -3.317 3.393 6.709
204 H CYS 29 H CYS 29 -6.148 2.425 4.131
205 HA CYS 29 HA CYS 29 -3.548 1.815 2.910
206 1HB CYS 29 1HB CYS 29 -6.367 1.373 2.220
207 2HB CYS 29 2HB CYS 29 -5.393 1.893 0.847
208 H ALA 30 H ALA 30 -5.862 3.989 2.957
209 HA ALA 30 HA ALA 30 -6.274 6.244 2.155
210 1HB ALA 30 1HB ALA 30 -3.398 6.876 1.865
211 2HB ALA 30 2HB ALA 30 -4.518 7.427 3.114
212 3HB ALA 30 3HB ALA 30 -3.676 5.889 3.301
213 H GLU 31 H GLU 31 -7.183 5.446 0.115
214 HA GLU 31 HA GLU 31 -5.850 3.844 -1.363
215 1HB GLU 31 2HB GLU 31 -7.862 3.743 -2.371
216 2HB GLU 31 1HB GLU 31 -8.355 4.981 -1.277
217 1HG GLU 31 1HG GLU 31 -7.213 5.601 -4.032
218 2HG GLU 31 2HG GLU 31 -8.936 5.525 -3.647
219 H GLY 32 H GLY 32 -5.747 4.524 -4.278
220 1HA GLY 32 2HA GLY 32 -3.307 4.846 -4.815
221 2HA GLY 32 1HA GLY 32 -3.064 4.763 -3.039
222 H PHE 33 H PHE 33 -5.140 2.541 -2.761
223 HA PHE 33 HA PHE 33 -2.604 1.009 -2.461
224 1HB PHE 33 2HB PHE 33 -3.845 2.980 -0.427
225 2HB PHE 33 1HB PHE 33 -2.746 1.665 0.023
226 HD1 PHE 33 HD1 PHE 33 -2.650 5.043 -0.533
227 HD2 PHE 33 HD2 PHE 33 -0.669 1.371 -1.757
228 HE1 PHE 33 HE1 PHE 33 -0.544 6.336 -0.984
229 HE2 PHE 33 HE2 PHE 33 1.457 2.624 -2.154
230 HZ PHE 33 HZ PHE 33 1.525 5.135 -1.801
231 H ALA 34 H ALA 34 -3.285 -0.878 -2.784
232 HA ALA 34 HA ALA 34 -5.179 -2.013 -0.924
233 1HB ALA 34 1HB ALA 34 -5.932 -1.543 -3.861
234 2HB ALA 34 2HB ALA 34 -6.695 -2.830 -2.930
235 3HB ALA 34 3HB ALA 34 -6.881 -1.148 -2.430
236 HA PRO 35 HA PRO 35 -2.472 -4.315 -0.383
237 1HB PRO 35 1HB PRO 35 -3.435 -7.065 -0.489
238 2HB PRO 35 2HB PRO 35 -3.301 -6.017 0.921
239 1HG PRO 35 1HG PRO 35 -5.719 -6.785 -0.478
240 2HG PRO 35 2HG PRO 35 -5.583 -5.752 0.940
241 1HD PRO 35 2HD PRO 35 -6.207 -4.930 -1.768
242 2HD PRO 35 1HD PRO 35 -5.997 -3.882 -0.355
243 H ILE 36 H ILE 36 -1.084 -3.910 -2.162
244 HA ILE 36 HA ILE 36 -0.276 -5.473 -4.125
245 HB ILE 36 HB ILE 36 1.250 -3.865 -3.337
246 1HG1 ILE 36 1HG1 ILE 36 2.220 -6.395 -3.780
247 2HG1 ILE 36 2HG1 ILE 36 3.128 -4.908 -3.737
248 1HG2 ILE 36 1HG2 ILE 36 0.693 -3.420 -1.118
249 2HG2 ILE 36 2HG2 ILE 36 0.718 -5.117 -0.691
250 3HG2 ILE 36 3HG2 ILE 36 2.232 -4.222 -0.860
251 1HD1 ILE 36 1HD1 ILE 36 2.528 -6.400 -1.170
252 2HD1 ILE 36 2HD1 ILE 36 3.899 -6.861 -2.200
253 3HD1 ILE 36 3HD1 ILE 36 3.822 -5.238 -1.495
254 HA PRO 37 HA PRO 37 0.109 -9.837 -2.911
255 1HB PRO 37 1HB PRO 37 2.625 -9.631 -4.462
256 2HB PRO 37 2HB PRO 37 1.267 -10.733 -4.724
257 1HG PRO 37 1HG PRO 37 1.862 -8.435 -6.280
258 2HG PRO 37 2HG PRO 37 0.332 -9.305 -6.302
259 1HD PRO 37 1HD PRO 37 0.873 -6.659 -5.213
260 2HD PRO 37 2HD PRO 37 -0.691 -7.486 -5.309
261 H HIS 38 H HIS 38 1.657 -8.582 -0.227
262 HA HIS 38 HA HIS 38 0.586 -11.033 -1.404
263 1HB HIS 38 1HB HIS 38 1.375 -11.531 1.356
264 2HB HIS 38 2HB HIS 38 1.749 -12.507 -0.072
265 HD1 HIS 38 HD1 HIS 38 3.839 -11.428 2.538
266 HD2 HIS 38 HD2 HIS 38 3.734 -10.740 -1.572
267 HE1 HIS 38 HE1 HIS 38 5.746 -9.716 1.975
268 H GLU 39 H GLU 39 0.472 -8.669 0.713
269 HA GLU 39 HA GLU 39 -1.010 -10.256 2.713
270 1HB GLU 39 2HB GLU 39 0.705 -7.876 3.484
271 2HB GLU 39 1HB GLU 39 0.344 -9.313 4.437
272 1HG GLU 39 1HG GLU 39 1.896 -9.704 1.888
273 2HG GLU 39 2HG GLU 39 2.761 -8.976 3.146
274 HA PRO 40 HA PRO 40 -3.651 -6.699 3.951
275 1HB PRO 40 1HB PRO 40 -3.702 -7.654 6.668
276 2HB PRO 40 2HB PRO 40 -5.002 -7.758 5.486
277 1HG PRO 40 1HG PRO 40 -3.315 -9.915 6.472
278 2HG PRO 40 2HG PRO 40 -4.671 -10.027 5.357
279 1HD PRO 40 1HD PRO 40 -1.835 -10.224 4.722
280 2HD PRO 40 2HD PRO 40 -3.202 -10.345 3.603
281 H HIS 41 H HIS 41 -1.159 -5.667 3.664
282 HA HIS 41 HA HIS 41 -2.371 -3.835 5.483
283 1HB HIS 41 2HB HIS 41 -0.034 -3.061 6.395
284 2HB HIS 41 1HB HIS 41 -0.916 -4.349 7.209
285 HD1 HIS 41 HD1 HIS 41 -0.118 -6.941 5.610
286 HD2 HIS 41 HD2 HIS 41 2.461 -3.679 6.386
287 HE1 HIS 41 HE1 HIS 41 2.262 -7.857 5.436
288 H ARG 42 H ARG 42 0.699 -3.514 4.665
289 HA ARG 42 HA ARG 42 2.062 -3.154 2.881
290 1HB ARG 42 2HB ARG 42 -0.256 -4.402 1.355
291 2HB ARG 42 1HB ARG 42 1.457 -4.456 0.999
292 1HG ARG 42 1HG ARG 42 1.026 -5.479 3.660
293 2HG ARG 42 2HG ARG 42 -0.007 -6.311 2.483
294 1HD ARG 42 2HD ARG 42 1.822 -7.549 1.829
295 2HD ARG 42 1HD ARG 42 2.584 -6.072 1.236
296 HE ARG 42 HE ARG 42 2.924 -6.324 4.062
297 1HH1 ARG 42 2HH2 ARG 42 4.063 -7.011 0.798
298 2HH1 ARG 42 1HH2 ARG 42 5.399 -7.984 1.314
299 1HH2 ARG 42 2HH1 ARG 42 5.128 -6.927 4.653
300 2HH2 ARG 42 1HH1 ARG 42 6.032 -7.916 3.552
301 H CYS 43 H CYS 43 -0.985 -2.413 2.017
302 HA CYS 43 HA CYS 43 -0.968 -2.345 -0.699
303 1HB CYS 43 2HB CYS 43 -2.184 -0.047 -0.708
304 2HB CYS 43 1HB CYS 43 -2.983 -1.521 -0.176
305 H GLN 44 H GLN 44 -0.208 -1.380 -2.428
306 HA GLN 44 HA GLN 44 1.725 0.654 -1.896
307 1HB GLN 44 2HB GLN 44 2.385 -2.070 -1.314
308 2HB GLN 44 1HB GLN 44 3.167 -1.769 -2.845
309 1HG GLN 44 1HG GLN 44 4.034 0.463 -1.612
310 2HG GLN 44 2HG GLN 44 3.706 -0.473 -0.159
311 1HE2 GLN 44 2HE2 GLN 44 4.286 -3.022 -0.880
312 2HE2 GLN 44 1HE2 GLN 44 6.035 -3.059 -0.762
313 H MET 45 H MET 45 1.593 1.750 -4.179
314 HA MET 45 HA MET 45 -0.992 1.185 -3.720
315 1HB MET 45 1HB MET 45 -1.424 1.929 -6.293
316 2HB MET 45 2HB MET 45 -0.712 3.075 -5.176
317 1HG MET 45 1HG MET 45 0.550 3.062 -7.277
318 2HG MET 45 2HG MET 45 1.571 2.385 -6.021
319 1HE MET 45 1HE MET 45 2.984 -0.322 -8.018
320 2HE MET 45 2HE MET 45 3.143 1.428 -7.791
321 3HE MET 45 3HE MET 45 2.921 0.372 -6.388
322 H PHE 46 H PHE 46 -2.741 -0.226 -4.433
323 HA PHE 46 HA PHE 46 -2.583 -2.506 -5.628
324 1HB PHE 46 1HB PHE 46 -4.822 -2.122 -5.744
325 2HB PHE 46 2HB PHE 46 -4.491 -0.554 -5.112
326 HD1 PHE 46 HD1 PHE 46 -4.448 1.496 -6.498
327 HD2 PHE 46 HD2 PHE 46 -5.490 -2.404 -8.144
328 HE1 PHE 46 HE1 PHE 46 -5.415 2.616 -8.534
329 HE2 PHE 46 HE2 PHE 46 -6.458 -1.287 -10.184
330 HZ PHE 46 HZ PHE 46 -6.415 1.225 -10.380
331 H CYS 47 H CYS 47 -1.515 -3.382 -7.250
332 HA CYS 47 HA CYS 47 -0.601 -1.434 -9.293
333 1HB CYS 47 2HB CYS 47 1.469 -1.771 -8.372
334 2HB CYS 47 1HB CYS 47 0.925 -3.159 -7.455
335 H ASN 48 H ASN 48 -0.092 -5.017 -8.968
336 HA ASN 48 HA ASN 48 -1.565 -6.640 -9.617
337 1HB ASN 48 2HB ASN 48 -3.214 -4.150 -9.757
338 2HB ASN 48 1HB ASN 48 -3.789 -5.431 -10.816
339 1HD2 ASN 48 HD2 ASN 48 -4.954 -7.010 -10.044
340 H GLN 49 H GLN 49 0.460 -6.534 -11.867
341 HA GLN 49 HA GLN 49 -1.340 -8.575 -11.305
342 1HB GLN 49 2HB GLN 49 -2.003 -9.201 -13.730
343 2HB GLN 49 1HB GLN 49 -2.853 -7.851 -13.022
344 1HG GLN 49 2HG GLN 49 -2.114 -6.459 -14.671
345 2HG GLN 49 1HG GLN 49 -0.438 -6.861 -14.321
346 1HE2 GLN 49 2HE2 GLN 49 -0.873 -6.367 -16.774
347 2HE2 GLN 49 1HE2 GLN 49 -0.897 -7.799 -17.785
348 H THR 50 H THR 50 0.051 -8.890 -14.583
349 HA THR 50 HA THR 50 2.680 -9.122 -13.275
350 HB THR 50 HB THR 50 3.548 -9.407 -15.627
351 HG1 THR 50 HG1 THR 50 1.365 -9.734 -16.927
352 1HG2 THR 50 1HG2 THR 50 2.501 -11.575 -16.108
353 2HG2 THR 50 2HG2 THR 50 1.085 -11.160 -15.143
354 3HG2 THR 50 3HG2 THR 50 2.643 -11.422 -14.357
355 H ALA 51 H ALA 51 0.880 -6.687 -13.366
356 HA ALA 51 HA ALA 51 1.531 -4.644 -12.617
357 1HB ALA 51 1HB ALA 51 2.667 -6.032 -10.990
358 2HB ALA 51 2HB ALA 51 3.908 -4.886 -11.492
359 3HB ALA 51 3HB ALA 51 3.904 -6.522 -12.153
360 H CYS 52 H CYS 52 4.054 -3.191 -12.544
361 HA CYS 52 HA CYS 52 1.609 -2.507 -14.005
362 1HB CYS 52 2HB CYS 52 1.583 -0.963 -11.759
363 2HB CYS 52 1HB CYS 52 0.948 -2.571 -11.856
364 HA PRO 53 HA PRO 53 5.748 -0.966 -14.138
365 1HB PRO 53 2HB PRO 53 6.053 0.196 -16.788
366 2HB PRO 53 1HB PRO 53 6.669 -1.344 -16.206
367 1HG PRO 53 2HG PRO 53 4.446 -0.904 -17.996
368 2HG PRO 53 1HG PRO 53 5.052 -2.448 -17.399
369 1HD PRO 53 2HD PRO 53 2.593 -1.102 -16.630
370 2HD PRO 53 1HD PRO 53 3.208 -2.642 -16.012
371 H ALA 54 H ALA 54 7.178 0.824 -14.073
372 HA ALA 54 HA ALA 54 6.870 3.416 -13.947
373 1HB ALA 54 1HB ALA 54 9.065 3.482 -14.722
374 2HB ALA 54 2HB ALA 54 8.637 2.773 -16.277
375 3HB ALA 54 3HB ALA 54 8.880 1.732 -14.887
376 H ASP 55 H ASP 55 7.916 4.354 -16.608
377 HA ASP 55 HA ASP 55 7.171 5.740 -18.137
378 1HB ASP 55 2HB ASP 55 6.830 3.822 -19.415
379 2HB ASP 55 1HB ASP 55 5.622 3.189 -18.322
380 H CYS 56 H CYS 56 6.074 6.458 -15.410
381 HA CYS 56 HA CYS 56 4.425 8.358 -15.872
382 1HB CYS 56 2HB CYS 56 7.293 9.191 -15.740
383 2HB CYS 56 1HB CYS 56 5.915 9.554 -14.685
384 H ASP 57 H ASP 57 4.855 10.580 -16.856
385 HA ASP 57 HA ASP 57 5.723 11.948 -18.575
386 1HB ASP 57 2HB ASP 57 7.076 12.394 -16.651
387 2HB ASP 57 1HB ASP 57 7.856 10.823 -16.717
388 HA PRO 58 HA PRO 58 8.214 11.450 -21.776
389 1HB PRO 58 2HB PRO 58 6.225 13.394 -22.631
390 2HB PRO 58 1HB PRO 58 6.912 12.071 -23.563
391 1HG PRO 58 2HG PRO 58 4.257 12.227 -22.416
392 2HG PRO 58 1HG PRO 58 4.939 10.907 -23.357
393 1HD PRO 58 2HD PRO 58 4.426 10.946 -20.501
394 2HD PRO 58 1HD PRO 58 5.140 9.629 -21.443
395 H ASN 59 H ASN 59 5.673 13.570 -20.310
396 HA ASN 59 HA ASN 59 7.841 15.510 -20.035
397 1HB ASN 59 2HB ASN 59 5.322 15.595 -21.343
398 2HB ASN 59 1HB ASN 59 5.064 16.526 -19.861
399 1HD2 ASN 59 1HD2 ASN 59 6.600 16.322 -22.938
400 2HD2 ASN 59 2HD2 ASN 59 6.989 18.029 -23.064
401 H THR 60 H THR 60 5.231 14.186 -18.674
402 HA THR 60 HA THR 60 4.640 16.706 -17.533
403 HB THR 60 HB THR 60 2.366 16.060 -17.305
404 HG1 THR 60 HG1 THR 60 2.218 14.619 -15.879
405 1HG2 THR 60 1HG2 THR 60 1.848 14.918 -19.271
406 2HG2 THR 60 2HG2 THR 60 3.043 13.654 -18.979
407 3HG2 THR 60 3HG2 THR 60 3.555 15.224 -19.597
408 H GLN 61 H GLN 61 6.564 14.849 -16.034
409 HA GLN 61 HA GLN 61 6.003 13.007 -14.534
410 1HB GLN 61 2HB GLN 61 7.317 13.534 -12.654
411 2HB GLN 61 1HB GLN 61 7.935 14.574 -13.909
412 1HG GLN 61 2HG GLN 61 6.434 15.302 -11.411
413 2HG GLN 61 1HG GLN 61 7.736 16.159 -12.220
414 1HE2 GLN 61 2HE2 GLN 61 7.212 17.749 -13.857
415 2HE2 GLN 61 1HE2 GLN 61 5.834 17.403 -14.885
416 H ALA 62 H ALA 62 5.613 13.924 -11.676
417 HA ALA 62 HA ALA 62 3.987 12.793 -10.465
418 1HB ALA 62 1HB ALA 62 1.835 14.507 -10.516
419 2HB ALA 62 2HB ALA 62 3.046 15.535 -11.283
420 3HB ALA 62 3HB ALA 62 3.330 14.891 -9.668
421 H SER 63 H SER 63 4.048 11.854 -13.247
422 HA SER 63 HA SER 63 1.340 10.827 -13.383
423 1HB SER 63 2HB SER 63 2.607 10.687 -15.437
424 2HB SER 63 1HB SER 63 3.965 9.919 -14.615
425 HG SER 63 HG SER 63 2.616 8.521 -15.779
426 H CYS 64 H CYS 64 3.819 8.828 -13.265
427 HA CYS 64 HA CYS 64 3.100 6.780 -11.640
428 1HB CYS 64 2HB CYS 64 5.635 6.915 -10.590
429 2HB CYS 64 1HB CYS 64 5.291 6.306 -12.189
430 H GLU 65 H GLU 65 1.695 7.101 -10.097
431 HA GLU 65 HA GLU 65 1.910 9.209 -8.234
432 1HB GLU 65 1HB GLU 65 -0.105 7.668 -9.045
433 2HB GLU 65 2HB GLU 65 0.332 6.657 -7.696
434 1HG GLU 65 2HG GLU 65 -1.301 8.048 -6.717
435 2HG GLU 65 1HG GLU 65 0.198 8.840 -6.243
436 H CYS 66 H CYS 66 3.791 6.723 -8.327
437 HA CYS 66 HA CYS 66 2.739 5.181 -6.388
438 1HB CYS 66 1HB CYS 66 5.397 4.323 -7.319
439 2HB CYS 66 2HB CYS 66 3.802 3.644 -7.688
440 HA PRO 67 HA PRO 67 2.724 4.622 -3.782
441 1HB PRO 67 1HB PRO 67 4.050 3.030 -1.874
442 2HB PRO 67 2HB PRO 67 3.108 2.445 -3.255
443 1HG PRO 67 2HG PRO 67 6.043 2.449 -2.942
444 2HG PRO 67 1HG PRO 67 5.048 1.547 -4.079
445 1HD PRO 67 2HD PRO 67 6.605 3.894 -4.660
446 2HD PRO 67 1HD PRO 67 5.465 3.090 -5.752
447 H GLU 68 H GLU 68 5.319 4.234 -1.955
448 HA GLU 68 HA GLU 68 4.553 5.764 0.154
449 1HB GLU 68 2HB GLU 68 7.483 5.158 -0.430
450 2HB GLU 68 1HB GLU 68 6.861 5.620 1.136
451 1HG GLU 68 2HG GLU 68 5.257 3.576 0.940
452 2HG GLU 68 1HG GLU 68 6.259 3.064 -0.415
453 H GLY 69 H GLY 69 4.424 7.872 -2.012
454 1HA GLY 69 2HA GLY 69 5.888 8.654 -3.636
455 2HA GLY 69 1HA GLY 69 6.658 9.465 -2.235
456 H TYR 70 H TYR 70 6.733 6.529 -4.322
457 HA TYR 70 HA TYR 70 8.701 5.779 -5.264
458 1HB TYR 70 2HB TYR 70 10.017 7.776 -6.170
459 2HB TYR 70 1HB TYR 70 8.292 7.866 -6.455
460 HD1 TYR 70 HD1 TYR 70 11.159 9.304 -4.600
461 HD2 TYR 70 HD2 TYR 70 6.841 9.453 -5.194
462 HE1 TYR 70 HE1 TYR 70 11.072 11.529 -3.424
463 HE2 TYR 70 HE2 TYR 70 6.749 11.664 -3.994
464 HH TYR 70 HH TYR 70 8.055 13.023 -2.464
465 H ILE 71 H ILE 71 9.919 4.524 -3.487
466 HA ILE 71 HA ILE 71 12.170 5.851 -4.778
467 HB ILE 71 HB ILE 71 12.170 5.963 -2.111
468 1HG1 ILE 71 1HG1 ILE 71 14.870 5.505 -2.517
469 2HG1 ILE 71 2HG1 ILE 71 14.308 5.855 -4.135
470 1HG2 ILE 71 1HG2 ILE 71 13.943 3.570 -2.247
471 2HG2 ILE 71 2HG2 ILE 71 12.208 3.251 -2.288
472 3HG2 ILE 71 3HG2 ILE 71 12.907 4.141 -0.938
473 1HD1 ILE 71 1HD1 ILE 71 13.943 7.632 -1.669
474 2HD1 ILE 71 2HD1 ILE 71 13.187 7.964 -3.227
475 3HD1 ILE 71 3HD1 ILE 71 14.945 7.974 -3.080
476 H LEU 72 H LEU 72 10.626 2.558 -4.054
477 HA LEU 72 HA LEU 72 10.018 1.825 -6.174
478 1HB LEU 72 1HB LEU 72 8.798 3.900 -5.976
479 2HB LEU 72 2HB LEU 72 10.268 4.821 -6.030
480 HG LEU 72 HG LEU 72 9.886 3.355 -8.521
481 1HD1 LEU 72 1HD1 LEU 72 7.870 5.100 -9.042
482 2HD1 LEU 72 2HD1 LEU 72 7.523 4.769 -7.343
483 3HD1 LEU 72 3HD1 LEU 72 7.571 3.445 -8.498
484 1HD2 LEU 72 1HD2 LEU 72 9.637 6.295 -8.523
485 2HD2 LEU 72 2HD2 LEU 72 10.829 5.262 -9.330
486 3HD2 LEU 72 3HD2 LEU 72 11.046 5.713 -7.636
487 H ASP 73 H ASP 73 10.604 1.615 -8.584
488 HA ASP 73 HA ASP 73 13.479 1.206 -8.221
489 1HB ASP 73 2HB ASP 73 11.423 -0.998 -7.727
490 2HB ASP 73 1HB ASP 73 13.181 -1.220 -7.731
491 H ASP 74 H ASP 74 13.358 2.000 -10.174
492 HA ASP 74 HA ASP 74 14.109 1.598 -12.385
493 1HB ASP 74 2HB ASP 74 15.174 -0.224 -10.446
494 2HB ASP 74 1HB ASP 74 14.794 -1.236 -11.837
495 H GLY 75 H GLY 75 12.056 1.353 -14.074
496 1HA GLY 75 2HA GLY 75 9.836 0.956 -13.338
497 2HA GLY 75 1HA GLY 75 10.457 0.145 -11.909
498 H PHE 76 H PHE 76 9.494 2.766 -13.333
499 HA PHE 76 HA PHE 76 9.982 4.552 -10.988
500 1HB PHE 76 2HB PHE 76 9.209 5.204 -13.739
501 2HB PHE 76 1HB PHE 76 7.984 5.813 -12.644
502 HD1 PHE 76 HD1 PHE 76 9.105 6.927 -10.352
503 HD2 PHE 76 HD2 PHE 76 10.941 6.679 -14.301
504 HE1 PHE 76 HE1 PHE 76 10.583 8.884 -9.788
505 HE2 PHE 76 HE2 PHE 76 12.419 8.636 -13.738
506 HZ PHE 76 HZ PHE 76 12.239 9.741 -11.482
507 H ILE 77 H ILE 77 8.880 2.197 -10.609
508 HA ILE 77 HA ILE 77 6.788 1.928 -12.184
509 HB ILE 77 HB ILE 77 7.474 -0.079 -11.979
510 1HG1 ILE 77 1HG1 ILE 77 5.227 -0.515 -11.217
511 2HG1 ILE 77 2HG1 ILE 77 6.353 -1.654 -10.546
512 1HG2 ILE 77 1HG2 ILE 77 8.227 0.181 -9.065
513 2HG2 ILE 77 2HG2 ILE 77 9.272 0.649 -10.406
514 3HG2 ILE 77 3HG2 ILE 77 8.778 -1.034 -10.237
515 1HD1 ILE 77 1HD1 ILE 77 6.304 0.364 -8.587
516 2HD1 ILE 77 2HD1 ILE 77 5.473 -1.190 -8.501
517 3HD1 ILE 77 3HD1 ILE 77 4.622 0.232 -9.102
518 H CYS 78 H CYS 78 4.591 0.900 -11.558
519 HA CYS 78 HA CYS 78 3.322 2.458 -9.485
520 1HB CYS 78 2HB CYS 78 3.774 3.776 -11.941
521 2HB CYS 78 1HB CYS 78 2.061 3.506 -11.963
522 H THR 79 H THR 79 1.452 1.865 -12.476
523 HA THR 79 HA THR 79 0.023 -0.095 -10.840
524 HB THR 79 HB THR 79 -0.462 2.283 -9.967
525 HG1 THR 79 HG1 THR 79 -2.731 1.016 -10.939
526 1HG2 THR 79 1HG2 THR 79 -1.140 3.882 -11.434
527 2HG2 THR 79 2HG2 THR 79 -2.560 2.912 -11.835
528 3HG2 THR 79 3HG2 THR 79 -1.071 2.726 -12.761
529 H ASP 80 H ASP 80 1.111 -0.542 -13.234
530 HA ASP 80 HA ASP 80 0.507 -1.429 -15.275
531 1HB ASP 80 1HB ASP 80 -0.572 -2.636 -13.132
532 2HB ASP 80 2HB ASP 80 -2.100 -2.179 -13.907
533 H ILE 81 H ILE 81 -1.855 -1.961 -16.533
534 HA ILE 81 HA ILE 81 -2.873 0.134 -17.790
535 HB ILE 81 HB ILE 81 -4.480 -2.077 -16.458
536 1HG1 ILE 81 2HG1 ILE 81 -2.694 -2.673 -18.151
537 2HG1 ILE 81 1HG1 ILE 81 -4.301 -3.262 -18.502
538 1HG2 ILE 81 1HG2 ILE 81 -6.178 -1.516 -18.365
539 2HG2 ILE 81 2HG2 ILE 81 -5.396 0.064 -18.397
540 3HG2 ILE 81 3HG2 ILE 81 -6.179 -0.503 -16.921
541 1HD1 ILE 81 1HD1 ILE 81 -4.574 -1.078 -19.949
542 2HD1 ILE 81 2HD1 ILE 81 -3.568 -2.376 -20.592
543 3HD1 ILE 81 3HD1 ILE 81 -2.816 -0.968 -19.842
544 H ASP 82 H ASP 82 -3.568 2.249 -17.137
545 HA ASP 82 HA ASP 82 -6.239 1.508 -16.294
546 1HB ASP 82 1HB ASP 82 -5.242 2.389 -14.149
547 2HB ASP 82 2HB ASP 82 -4.826 3.894 -14.962
548 H GLU 83 H GLU 83 -5.851 2.368 -19.232
549 HA GLU 83 HA GLU 83 -8.214 2.406 -17.525
550 1HB GLU 83 1HB GLU 83 -9.554 3.596 -19.405
551 2HB GLU 83 2HB GLU 83 -8.500 4.608 -18.446
552 1HG GLU 83 1HG GLU 83 -7.092 3.457 -20.779
553 2HG GLU 83 2HG GLU 83 -8.486 4.424 -21.246
554 H1 NAG 121 H1 ASN 21 -14.750 0.152 6.912
555 H2 NAG 121 H2 ASN 21 -12.389 1.323 8.471
556 H3 NAG 121 H3 ASN 21 -15.061 2.711 8.101
557 H4 NAG 121 H4 ASN 21 -12.581 3.488 6.535
558 H5 NAG 121 H5 ASN 21 -14.950 1.886 5.483
559 1H6 NAG 121 1H6 ASN 21 -12.699 3.369 4.189
560 2H6 NAG 121 2H6 ASN 21 -14.282 2.943 3.540
561 1H8 NAG 121 1H8 ASN 21 -11.802 0.822 11.690
562 2H8 NAG 121 2H8 ASN 21 -12.880 -0.587 11.721
563 3H8 NAG 121 3H8 ASN 21 -11.964 -0.202 10.250
564 HN2 NAG 121 HN2 ASN 21 -14.874 0.101 9.303
565 HO4 NAG 121 HO4 ASN 21 -14.652 4.255 5.357
566 HO3 NAG 121 HO3 ASN 21 -13.534 4.457 8.569
567 HO6 NAG 121 H6 ASN 21 -12.569 0.873 4.055
568 H1 NAG 148 H1 ASN 48 -4.417 -8.069 -7.436
569 H2 NAG 148 H2 ASN 48 -6.494 -5.988 -7.721
570 H3 NAG 148 H3 ASN 48 -8.051 -7.289 -6.091
571 H4 NAG 148 H4 ASN 48 -8.172 -9.757 -6.684
572 H5 NAG 148 H5 ASN 48 -5.369 -10.138 -7.163
573 1H6 NAG 148 1H6 ASN 48 -7.886 -10.743 -8.786
574 2H6 NAG 148 2H6 ASN 48 -6.990 -11.851 -7.747
575 1H8 NAG 148 1H8 ASN 48 -4.500 -4.097 -5.776
576 2H8 NAG 148 2H8 ASN 48 -5.430 -3.676 -4.325
577 3H8 NAG 148 3H8 ASN 48 -4.282 -5.035 -4.287
578 HN2 NAG 148 HN2 ASN 48 -4.901 -7.093 -5.565
579 HO4 NAG 148 HO4 ASN 48 -6.229 -10.151 -5.361
580 HO3 NAG 148 HO3 ASN 48 -8.006 -6.973 -8.636
581 HO6 NAG 148 H6 ASN 48 -5.305 -10.862 -9.462
Start of MODEL 6
1 1H HIS 1 1H HIS 1 -0.056 -9.592 25.330
2 2H HIS 1 2H HIS 1 -0.959 -9.926 26.729
3 3H HIS 1 3H HIS 1 -0.219 -8.409 26.538
4 HA HIS 1 HA HIS 1 0.843 -10.039 28.068
5 1HB HIS 1 1HB HIS 1 0.730 -11.663 25.769
6 2HB HIS 1 2HB HIS 1 2.403 -11.155 25.830
7 HD2 HIS 1 HD2 HIS 1 -0.015 -12.206 28.714
8 HE1 HIS 1 HE1 HIS 1 3.540 -14.587 29.078
9 HE2 HIS 1 HE2 HIS 1 1.248 -14.091 30.141
10 H MET 2 H MET 2 2.510 -9.517 24.928
11 HA MET 2 HA MET 2 3.889 -7.238 26.087
12 1HB MET 2 2HB MET 2 4.506 -8.802 23.979
13 2HB MET 2 1HB MET 2 3.562 -7.628 23.095
14 1HG MET 2 1HG MET 2 5.051 -5.807 24.185
15 2HG MET 2 2HG MET 2 6.086 -7.115 24.730
16 1HE MET 2 1HE MET 2 8.469 -6.221 22.036
17 2HE MET 2 2HE MET 2 8.145 -6.671 23.720
18 3HE MET 2 3HE MET 2 7.621 -5.093 23.107
19 H GLU 3 H GLU 3 3.572 -4.971 24.623
20 HA GLU 3 HA GLU 3 2.380 -3.856 23.015
21 1HB GLU 3 2HB GLU 3 2.015 -5.159 21.049
22 2HB GLU 3 1HB GLU 3 3.265 -6.047 21.919
23 1HG GLU 3 1HG GLU 3 1.156 -7.331 22.979
24 2HG GLU 3 2HG GLU 3 0.346 -6.756 21.528
25 HA PRO 4 HA PRO 4 -1.996 -3.628 23.561
26 1HB PRO 4 1HB PRO 4 -1.403 -0.824 23.160
27 2HB PRO 4 2HB PRO 4 -2.215 -1.559 24.536
28 1HG PRO 4 1HG PRO 4 0.462 -0.472 24.454
29 2HG PRO 4 2HG PRO 4 -0.342 -1.226 25.825
30 1HD PRO 4 1HD PRO 4 1.776 -2.344 24.159
31 2HD PRO 4 2HD PRO 4 1.031 -3.075 25.587
32 H VAL 5 H VAL 5 -3.130 -2.300 21.562
33 HA VAL 5 HA VAL 5 -1.725 -3.716 19.446
34 HB VAL 5 HB VAL 5 -3.827 -5.162 21.064
35 1HG1 VAL 5 1HG2 VAL 5 -3.810 -6.821 19.504
36 2HG1 VAL 5 2HG2 VAL 5 -3.067 -5.621 18.447
37 3HG1 VAL 5 3HG2 VAL 5 -2.055 -6.768 19.325
38 1HG2 VAL 5 1HG1 VAL 5 -0.842 -5.167 21.359
39 2HG2 VAL 5 2HG1 VAL 5 -2.105 -5.358 22.581
40 3HG2 VAL 5 3HG1 VAL 5 -1.676 -6.709 21.536
41 H ASP 6 H ASP 6 -3.462 -1.386 19.737
42 HA ASP 6 HA ASP 6 -4.310 -0.357 17.918
43 1HB ASP 6 2HB ASP 6 -2.885 -0.819 16.153
44 2HB ASP 6 1HB ASP 6 -2.073 -1.783 17.349
45 HA PRO 7 HA PRO 7 -6.154 -1.844 14.507
46 1HB PRO 7 1HB PRO 7 -6.551 0.962 13.955
47 2HB PRO 7 2HB PRO 7 -7.758 -0.311 13.855
48 1HG PRO 7 1HG PRO 7 -7.560 1.779 15.851
49 2HG PRO 7 2HG PRO 7 -8.772 0.509 15.746
50 1HD PRO 7 1HD PRO 7 -6.532 0.696 17.616
51 2HD PRO 7 2HD PRO 7 -7.809 -0.528 17.574
52 H CYS 8 H CYS 8 -5.009 1.356 15.559
53 HA CYS 8 HA CYS 8 -3.050 1.208 13.417
54 1HB CYS 8 2HB CYS 8 -4.347 3.304 13.762
55 2HB CYS 8 1HB CYS 8 -3.724 3.417 15.407
56 H PHE 9 H PHE 9 -3.166 1.448 16.888
57 HA PHE 9 HA PHE 9 -0.954 2.313 17.913
58 1HB PHE 9 2HB PHE 9 -2.976 0.855 18.756
59 2HB PHE 9 1HB PHE 9 -1.798 -0.451 18.780
60 HD1 PHE 9 HD1 PHE 9 -0.064 -0.645 20.403
61 HD2 PHE 9 HD2 PHE 9 -2.473 2.981 20.157
62 HE1 PHE 9 HE1 PHE 9 0.949 0.163 22.551
63 HE2 PHE 9 HE2 PHE 9 -1.461 3.797 22.311
64 HZ PHE 9 HZ PHE 9 0.246 2.391 23.516
65 H ARG 10 H ARG 10 -0.007 -0.465 18.822
66 HA ARG 10 HA ARG 10 2.051 -1.571 18.021
67 1HB ARG 10 2HB ARG 10 -0.524 -2.633 18.275
68 2HB ARG 10 1HB ARG 10 0.074 -3.360 16.781
69 1HG ARG 10 1HG ARG 10 2.216 -3.436 18.695
70 2HG ARG 10 2HG ARG 10 0.792 -3.874 19.574
71 1HD ARG 10 1HD ARG 10 0.362 -5.810 18.171
72 2HD ARG 10 2HD ARG 10 1.468 -5.231 16.909
73 HE ARG 10 HE ARG 10 2.180 -6.678 19.302
74 1HH1 ARG 10 1HH1 ARG 10 3.955 -3.784 17.837
75 2HH1 ARG 10 2HH1 ARG 10 4.003 -4.802 16.436
76 1HH2 ARG 10 2HH2 ARG 10 4.717 -7.449 18.072
77 2HH2 ARG 10 1HH2 ARG 10 5.234 -6.310 19.270
78 H ALA 11 H ALA 11 -0.316 -1.088 15.893
79 HA ALA 11 HA ALA 11 0.189 -2.776 13.804
80 1HB ALA 11 1HB ALA 11 -1.253 -1.552 12.361
81 2HB ALA 11 2HB ALA 11 -1.667 -0.843 13.923
82 3HB ALA 11 3HB ALA 11 -0.568 0.004 12.835
83 H ASN 12 H ASN 12 1.209 -2.776 11.751
84 HA ASN 12 HA ASN 12 3.564 -0.975 11.736
85 1HB ASN 12 1HB ASN 12 4.559 -2.866 10.189
86 2HB ASN 12 2HB ASN 12 4.431 -3.221 11.908
87 1HD2 ASN 12 1HD2 ASN 12 3.467 -5.191 12.397
88 2HD2 ASN 12 2HD2 ASN 12 3.292 -6.194 10.969
89 H CYS 13 H CYS 13 0.997 -0.276 10.706
90 HA CYS 13 HA CYS 13 0.486 -0.454 8.153
91 1HB CYS 13 1HB CYS 13 0.803 2.205 9.652
92 2HB CYS 13 2HB CYS 13 0.034 2.074 8.070
93 H GLU 14 H GLU 14 1.976 -1.116 6.882
94 HA GLU 14 HA GLU 14 4.103 -0.020 5.677
95 1HB GLU 14 1HB GLU 14 2.763 -1.710 4.537
96 2HB GLU 14 2HB GLU 14 1.482 -0.565 4.240
97 1HG GLU 14 1HG GLU 14 4.285 0.021 3.214
98 2HG GLU 14 2HG GLU 14 3.238 -1.075 2.323
99 H TYR 15 H TYR 15 1.025 1.309 4.432
100 HA TYR 15 HA TYR 15 2.017 4.009 4.650
101 1HB TYR 15 2HB TYR 15 0.090 2.969 3.171
102 2HB TYR 15 1HB TYR 15 -0.957 3.332 4.537
103 HD1 TYR 15 HD1 TYR 15 -1.575 5.685 5.020
104 HD2 TYR 15 HD2 TYR 15 1.364 4.721 1.944
105 HE1 TYR 15 HE1 TYR 15 -1.772 8.017 4.103
106 HE2 TYR 15 HE2 TYR 15 1.169 7.057 1.027
107 HH TYR 15 HH TYR 15 -0.981 9.005 1.271
108 H GLN 16 H GLN 16 -0.754 4.547 5.769
109 HA GLN 16 HA GLN 16 0.031 4.163 8.630
110 1HB GLN 16 1HB GLN 16 -0.532 6.576 7.608
111 2HB GLN 16 2HB GLN 16 -2.190 6.075 7.942
112 1HG GLN 16 1HG GLN 16 -1.413 5.534 10.335
113 2HG GLN 16 2HG GLN 16 0.112 6.317 9.945
114 1HE2 GLN 16 1HE2 GLN 16 -3.500 7.360 10.582
115 2HE2 GLN 16 2HE2 GLN 16 -3.295 7.979 8.954
116 H CYS 17 H CYS 17 -2.657 5.026 9.322
117 HA CYS 17 HA CYS 17 -3.458 2.187 9.599
118 1HB CYS 17 1HB CYS 17 -4.123 4.463 11.521
119 2HB CYS 17 2HB CYS 17 -4.206 2.744 11.857
120 H GLN 18 H GLN 18 -5.207 1.856 8.000
121 HA GLN 18 HA GLN 18 -7.620 2.889 9.300
122 1HB GLN 18 1HB GLN 18 -7.116 1.853 6.798
123 2HB GLN 18 2HB GLN 18 -7.786 0.431 7.603
124 1HG GLN 18 1HG GLN 18 -9.872 1.284 7.227
125 2HG GLN 18 2HG GLN 18 -9.498 2.573 8.362
126 1HE2 GLN 18 1HE2 GLN 18 -7.736 4.118 7.302
127 2HE2 GLN 18 2HE2 GLN 18 -8.114 4.718 5.697
128 HA PRO 19 HA PRO 19 -8.760 -0.831 11.460
129 1HB PRO 19 1HB PRO 19 -10.908 0.909 12.350
130 2HB PRO 19 2HB PRO 19 -9.800 -0.053 13.324
131 1HG PRO 19 1HG PRO 19 -9.775 2.790 13.051
132 2HG PRO 19 2HG PRO 19 -8.551 1.799 13.845
133 1HD PRO 19 1HD PRO 19 -8.386 3.149 11.232
134 2HD PRO 19 2HD PRO 19 -7.089 2.390 12.171
135 H LEU 20 H LEU 20 -9.157 -1.293 9.051
136 HA LEU 20 HA LEU 20 -11.842 -1.322 8.424
137 1HB LEU 20 1HB LEU 20 -9.955 -2.739 7.262
138 2HB LEU 20 2HB LEU 20 -10.208 -3.846 8.600
139 HG LEU 20 HG LEU 20 -12.765 -3.303 8.014
140 1HD1 LEU 20 1HD1 LEU 20 -11.302 -3.019 5.361
141 2HD1 LEU 20 2HD1 LEU 20 -13.000 -3.489 5.448
142 3HD1 LEU 20 3HD1 LEU 20 -12.484 -1.929 6.086
143 1HD2 LEU 20 1HD2 LEU 20 -12.516 -5.583 8.070
144 2HD2 LEU 20 2HD2 LEU 20 -12.415 -5.469 6.316
145 3HD2 LEU 20 3HD2 LEU 20 -10.939 -5.536 7.277
146 H ASN 21 H ASN 21 -11.992 -0.986 10.307
147 HA ASN 21 HA ASN 21 -12.387 -1.906 12.917
148 1HB ASN 21 2HB ASN 21 -14.631 -0.796 13.139
149 2HB ASN 21 1HB ASN 21 -13.501 0.224 12.218
150 1HD2 ASN 21 HD2 ASN 21 -15.194 1.316 11.184
151 H GLN 22 H GLN 22 -15.220 -3.000 13.626
152 HA GLN 22 HA GLN 22 -14.645 -4.934 14.721
153 1HB GLN 22 1HB GLN 22 -12.719 -5.260 12.393
154 2HB GLN 22 2HB GLN 22 -12.551 -6.255 13.825
155 1HG GLN 22 1HG GLN 22 -15.232 -6.572 13.379
156 2HG GLN 22 2HG GLN 22 -14.683 -6.304 11.727
157 1HE2 GLN 22 1HE2 GLN 22 -12.504 -7.415 11.263
158 2HE2 GLN 22 2HE2 GLN 22 -12.593 -9.151 11.499
159 H THR 23 H THR 23 -10.961 -4.427 15.719
160 HA THR 23 HA THR 23 -11.600 -3.720 12.966
161 HB THR 23 HB THR 23 -9.355 -2.936 12.800
162 HG1 THR 23 HG1 THR 23 -8.283 -4.577 13.688
163 1HG2 THR 23 1HG2 THR 23 -9.157 -1.405 14.762
164 2HG2 THR 23 2HG2 THR 23 -10.838 -1.504 14.239
165 3HG2 THR 23 3HG2 THR 23 -10.307 -2.391 15.664
166 H SER 24 H SER 24 -11.110 -4.871 11.229
167 HA SER 24 HA SER 24 -9.262 -7.068 11.269
168 1HB SER 24 1HB SER 24 -11.115 -5.927 9.444
169 2HB SER 24 2HB SER 24 -9.559 -5.675 8.705
170 HG SER 24 HG SER 24 -10.191 -8.149 9.790
171 H TYR 25 H TYR 25 -9.386 -3.917 10.977
172 HA TYR 25 HA TYR 25 -8.110 -2.163 10.150
173 1HB TYR 25 2HB TYR 25 -6.297 -1.447 11.604
174 2HB TYR 25 1HB TYR 25 -7.516 -2.248 12.562
175 HD1 TYR 25 HD1 TYR 25 -7.189 -4.866 12.988
176 HD2 TYR 25 HD2 TYR 25 -4.015 -2.143 11.744
177 HE1 TYR 25 HE1 TYR 25 -5.467 -6.475 13.864
178 HE2 TYR 25 HE2 TYR 25 -2.291 -3.757 12.610
179 HH TYR 25 HH TYR 25 -1.944 -5.802 13.552
180 H LEU 26 H LEU 26 -6.850 -1.486 8.899
181 HA LEU 26 HA LEU 26 -6.078 -3.663 7.117
182 1HB LEU 26 2HB LEU 26 -7.673 -2.830 5.682
183 2HB LEU 26 1HB LEU 26 -8.159 -1.898 7.102
184 HG LEU 26 HG LEU 26 -6.413 -0.147 6.267
185 1HD1 LEU 26 1HD2 LEU 26 -5.497 -0.349 4.197
186 2HD1 LEU 26 2HD2 LEU 26 -5.921 -2.062 4.321
187 3HD1 LEU 26 3HD2 LEU 26 -6.996 -0.943 3.486
188 1HD2 LEU 26 1HD1 LEU 26 -8.177 1.067 5.316
189 2HD2 LEU 26 2HD1 LEU 26 -8.783 -0.317 4.417
190 3HD2 LEU 26 3HD1 LEU 26 -9.087 -0.195 6.146
191 H CYS 27 H CYS 27 -4.708 -1.103 8.310
192 HA CYS 27 HA CYS 27 -3.398 0.752 7.687
193 1HB CYS 27 1HB CYS 27 -1.978 -1.829 7.107
194 2HB CYS 27 2HB CYS 27 -1.091 -0.297 6.963
195 H VAL 28 H VAL 28 -2.291 2.037 6.044
196 HA VAL 28 HA VAL 28 -4.531 1.822 4.182
197 HB VAL 28 HB VAL 28 -2.896 4.335 4.385
198 1HG1 VAL 28 1HG2 VAL 28 -4.994 5.452 4.023
199 2HG1 VAL 28 2HG2 VAL 28 -4.971 4.087 2.911
200 3HG1 VAL 28 3HG2 VAL 28 -5.917 3.998 4.394
201 1HG2 VAL 28 1HG1 VAL 28 -3.901 3.178 6.838
202 2HG2 VAL 28 2HG1 VAL 28 -3.175 4.760 6.552
203 3HG2 VAL 28 3HG1 VAL 28 -4.909 4.544 6.404
204 H CYS 29 H CYS 29 -4.229 2.960 2.066
205 HA CYS 29 HA CYS 29 -1.848 1.720 0.921
206 1HB CYS 29 1HB CYS 29 -4.704 2.151 0.051
207 2HB CYS 29 2HB CYS 29 -3.497 1.635 -1.120
208 H ALA 30 H ALA 30 -3.864 4.163 0.546
209 HA ALA 30 HA ALA 30 -3.897 6.280 -0.701
210 1HB ALA 30 1HB ALA 30 -2.061 6.422 1.173
211 2HB ALA 30 2HB ALA 30 -0.883 6.126 -0.105
212 3HB ALA 30 3HB ALA 30 -1.884 7.578 -0.148
213 H GLU 31 H GLU 31 -4.439 5.923 -2.799
214 HA GLU 31 HA GLU 31 -3.776 3.530 -3.469
215 1HB GLU 31 1HB GLU 31 -5.497 5.546 -4.325
216 2HB GLU 31 2HB GLU 31 -4.602 5.195 -5.772
217 1HG GLU 31 1HG GLU 31 -6.282 3.577 -5.941
218 2HG GLU 31 2HG GLU 31 -5.118 2.646 -4.984
219 H GLY 32 H GLY 32 -3.363 3.196 -6.207
220 1HA GLY 32 1HA GLY 32 -1.417 2.501 -7.303
221 2HA GLY 32 2HA GLY 32 -0.465 3.580 -6.244
222 H PHE 33 H PHE 33 -2.830 1.151 -5.045
223 HA PHE 33 HA PHE 33 -0.735 -0.267 -3.636
224 1HB PHE 33 2HB PHE 33 -2.045 2.236 -2.466
225 2HB PHE 33 1HB PHE 33 -1.471 0.932 -1.412
226 HD1 PHE 33 HD1 PHE 33 0.967 0.382 -1.235
227 HD2 PHE 33 HD2 PHE 33 -0.481 3.638 -3.732
228 HE1 PHE 33 HE1 PHE 33 3.287 1.339 -1.319
229 HE2 PHE 33 HE2 PHE 33 1.844 4.602 -3.833
230 HZ PHE 33 HZ PHE 33 3.731 3.448 -2.624
231 H ALA 34 H ALA 34 -1.891 -2.067 -4.033
232 HA ALA 34 HA ALA 34 -4.243 -2.395 -2.401
233 1HB ALA 34 1HB ALA 34 -5.960 -2.596 -4.069
234 2HB ALA 34 2HB ALA 34 -5.041 -1.193 -4.620
235 3HB ALA 34 3HB ALA 34 -4.794 -2.774 -5.377
236 HA PRO 35 HA PRO 35 -1.505 -3.843 -1.791
237 1HB PRO 35 1HB PRO 35 -1.811 -5.887 0.169
238 2HB PRO 35 2HB PRO 35 -2.054 -4.147 0.380
239 1HG PRO 35 1HG PRO 35 -4.082 -6.283 0.219
240 2HG PRO 35 2HG PRO 35 -4.283 -4.623 0.747
241 1HD PRO 35 2HD PRO 35 -5.100 -5.694 -1.832
242 2HD PRO 35 1HD PRO 35 -5.128 -4.005 -1.330
243 H ILE 36 H ILE 36 0.395 -4.760 -2.211
244 HA ILE 36 HA ILE 36 1.470 -7.067 -2.668
245 HB ILE 36 HB ILE 36 2.656 -5.479 -1.385
246 1HG1 ILE 36 1HG1 ILE 36 2.747 -8.265 -0.727
247 2HG1 ILE 36 2HG1 ILE 36 4.045 -7.103 -0.813
248 1HG2 ILE 36 1HG2 ILE 36 0.589 -4.897 0.073
249 2HG2 ILE 36 2HG2 ILE 36 1.190 -6.160 1.160
250 3HG2 ILE 36 3HG2 ILE 36 2.188 -4.754 0.793
251 1HD1 ILE 36 1HD1 ILE 36 3.265 -6.378 1.572
252 2HD1 ILE 36 2HD1 ILE 36 2.322 -7.877 1.558
253 3HD1 ILE 36 3HD1 ILE 36 4.085 -7.943 1.412
254 HA PRO 37 HA PRO 37 -0.584 -10.794 -1.265
255 1HB PRO 37 1HB PRO 37 2.246 -11.369 -0.428
256 2HB PRO 37 2HB PRO 37 1.129 -12.410 -1.297
257 1HG PRO 37 1HG PRO 37 3.173 -10.912 -2.497
258 2HG PRO 37 2HG PRO 37 1.738 -11.447 -3.369
259 1HD PRO 37 1HD PRO 37 2.484 -8.744 -2.618
260 2HD PRO 37 2HD PRO 37 1.082 -9.239 -3.578
261 H HIS 38 H HIS 38 0.786 -12.337 0.683
262 HA HIS 38 HA HIS 38 -0.929 -12.664 2.431
263 1HB HIS 38 1HB HIS 38 0.582 -12.909 4.348
264 2HB HIS 38 2HB HIS 38 1.146 -13.691 2.865
265 HD1 HIS 38 HD1 HIS 38 3.388 -13.160 4.969
266 HD2 HIS 38 HD2 HIS 38 2.143 -10.369 2.053
267 HE1 HIS 38 HE1 HIS 38 5.265 -11.406 4.755
268 H GLU 39 H GLU 39 0.995 -10.507 3.940
269 HA GLU 39 HA GLU 39 -1.041 -10.867 5.929
270 1HB GLU 39 2HB GLU 39 1.403 -9.070 6.091
271 2HB GLU 39 1HB GLU 39 0.535 -9.633 7.502
272 1HG GLU 39 2HG GLU 39 1.443 -11.835 5.757
273 2HG GLU 39 1HG GLU 39 2.784 -10.769 6.035
274 HA PRO 40 HA PRO 40 -3.211 -7.035 5.184
275 1HB PRO 40 1HB PRO 40 -4.292 -7.011 7.879
276 2HB PRO 40 2HB PRO 40 -5.096 -7.352 6.356
277 1HG PRO 40 1HG PRO 40 -4.328 -9.250 8.380
278 2HG PRO 40 2HG PRO 40 -5.075 -9.599 6.825
279 1HD PRO 40 1HD PRO 40 -2.321 -10.099 7.614
280 2HD PRO 40 2HD PRO 40 -3.076 -10.462 6.054
281 H HIS 41 H HIS 41 -0.635 -6.131 5.615
282 HA HIS 41 HA HIS 41 -1.351 -3.817 7.336
283 1HB HIS 41 2HB HIS 41 1.097 -3.587 7.593
284 2HB HIS 41 1HB HIS 41 0.534 -5.099 8.355
285 HD1 HIS 41 HD1 HIS 41 1.451 -7.423 7.158
286 HD2 HIS 41 HD2 HIS 41 2.593 -3.778 5.391
287 HE1 HIS 41 HE1 HIS 41 2.377 -7.975 4.791
288 H ARG 42 H ARG 42 -1.775 -3.553 4.548
289 HA ARG 42 HA ARG 42 0.763 -4.559 3.693
290 1HB ARG 42 2HB ARG 42 -1.938 -4.466 2.316
291 2HB ARG 42 1HB ARG 42 -0.565 -5.357 1.624
292 1HG ARG 42 1HG ARG 42 -0.383 -6.145 4.058
293 2HG ARG 42 2HG ARG 42 -2.135 -5.869 4.065
294 1HD ARG 42 2HD ARG 42 -1.455 -7.262 1.611
295 2HD ARG 42 1HD ARG 42 -0.688 -8.127 2.942
296 HE ARG 42 HE ARG 42 -3.018 -8.132 3.984
297 1HH1 ARG 42 2HH1 ARG 42 -2.709 -8.516 0.203
298 2HH1 ARG 42 1HH1 ARG 42 -3.105 -10.025 0.955
299 1HH2 ARG 42 1HH2 ARG 42 -5.353 -8.156 2.966
300 2HH2 ARG 42 2HH2 ARG 42 -5.358 -7.799 1.271
301 H CYS 43 H CYS 43 -1.262 -2.595 2.051
302 HA CYS 43 HA CYS 43 -0.508 -2.748 -0.461
303 1HB CYS 43 2HB CYS 43 -0.486 0.118 0.092
304 2HB CYS 43 1HB CYS 43 -1.716 -0.916 -0.685
305 H GLN 44 H GLN 44 1.127 -2.872 -1.596
306 HA GLN 44 HA GLN 44 3.247 -0.995 -1.108
307 1HB GLN 44 1HB GLN 44 3.863 -3.071 0.213
308 2HB GLN 44 2HB GLN 44 3.930 -3.949 -1.292
309 1HG GLN 44 1HG GLN 44 5.546 -1.547 -1.553
310 2HG GLN 44 2HG GLN 44 6.020 -2.394 -0.083
311 1HE2 GLN 44 2HE2 GLN 44 6.444 -4.938 -0.412
312 2HE2 GLN 44 1HE2 GLN 44 5.929 -5.540 -1.977
313 H MET 45 H MET 45 4.080 -0.378 -2.938
314 HA MET 45 HA MET 45 1.578 -0.029 -3.864
315 1HB MET 45 1HB MET 45 2.383 1.723 -5.119
316 2HB MET 45 2HB MET 45 3.943 1.241 -4.517
317 1HG MET 45 1HG MET 45 4.482 1.190 -6.743
318 2HG MET 45 2HG MET 45 3.810 -0.417 -6.694
319 1HE MET 45 1HE MET 45 2.927 -0.901 -8.866
320 2HE MET 45 2HE MET 45 2.267 0.286 -10.007
321 3HE MET 45 3HE MET 45 3.930 0.442 -9.423
322 H PHE 46 H PHE 46 0.102 -0.728 -5.158
323 HA PHE 46 HA PHE 46 0.381 -3.377 -6.021
324 1HB PHE 46 2HB PHE 46 -1.849 -2.577 -5.631
325 2HB PHE 46 1HB PHE 46 -1.631 -1.168 -6.648
326 HD1 PHE 46 HD1 PHE 46 -0.583 -4.608 -7.704
327 HD2 PHE 46 HD2 PHE 46 -3.649 -1.519 -7.970
328 HE1 PHE 46 HE1 PHE 46 -1.634 -5.822 -9.640
329 HE2 PHE 46 HE2 PHE 46 -4.709 -2.737 -9.901
330 HZ PHE 46 HZ PHE 46 -3.701 -4.888 -10.737
331 H CYS 47 H CYS 47 1.791 -4.057 -7.639
332 HA CYS 47 HA CYS 47 0.361 -3.622 -10.050
333 1HB CYS 47 2HB CYS 47 1.788 -1.635 -10.326
334 2HB CYS 47 1HB CYS 47 3.225 -2.557 -9.920
335 H ASN 48 H ASN 48 1.249 -4.931 -11.890
336 HA ASN 48 HA ASN 48 3.432 -6.606 -11.651
337 1HB ASN 48 2HB ASN 48 2.137 -8.835 -11.083
338 2HB ASN 48 1HB ASN 48 2.549 -7.777 -9.741
339 1HD2 ASN 48 HD2 ASN 48 0.065 -6.164 -9.039
340 H GLN 49 H GLN 49 2.711 -5.823 -14.401
341 HA GLN 49 HA GLN 49 4.628 -7.547 -13.859
342 1HB GLN 49 2HB GLN 49 3.234 -9.425 -13.296
343 2HB GLN 49 1HB GLN 49 2.172 -9.161 -14.657
344 1HG GLN 49 2HG GLN 49 3.918 -9.925 -16.235
345 2HG GLN 49 1HG GLN 49 5.087 -10.057 -14.925
346 1HE2 GLN 49 1HE2 GLN 49 1.745 -10.940 -14.151
347 2HE2 GLN 49 2HE2 GLN 49 1.705 -12.380 -15.151
348 H THR 50 H THR 50 6.108 -7.600 -15.673
349 HA THR 50 HA THR 50 6.711 -6.148 -17.372
350 HB THR 50 HB THR 50 4.441 -6.762 -18.484
351 HG1 THR 50 HG1 THR 50 5.705 -4.301 -18.770
352 1HG2 THR 50 1HG2 THR 50 2.600 -5.294 -18.304
353 2HG2 THR 50 2HG2 THR 50 3.584 -3.963 -17.699
354 3HG2 THR 50 3HG2 THR 50 3.162 -5.303 -16.634
355 H ALA 51 H ALA 51 4.511 -5.394 -14.756
356 HA ALA 51 HA ALA 51 3.405 -3.405 -14.348
357 1HB ALA 51 1HB ALA 51 4.843 -1.886 -13.085
358 2HB ALA 51 2HB ALA 51 6.279 -2.416 -13.961
359 3HB ALA 51 3HB ALA 51 5.480 -3.508 -12.823
360 H CYS 52 H CYS 52 3.878 -0.441 -15.010
361 HA CYS 52 HA CYS 52 1.986 -2.590 -15.477
362 1HB CYS 52 1HB CYS 52 2.240 -0.382 -13.624
363 2HB CYS 52 2HB CYS 52 0.678 -0.260 -14.404
364 HA PRO 53 HA PRO 53 3.628 0.477 -17.094
365 1HB PRO 53 2HB PRO 53 3.017 3.192 -17.468
366 2HB PRO 53 1HB PRO 53 3.174 2.019 -18.767
367 1HG PRO 53 2HG PRO 53 0.739 3.302 -17.737
368 2HG PRO 53 1HG PRO 53 0.950 2.368 -19.218
369 1HD PRO 53 2HD PRO 53 -0.246 1.488 -16.696
370 2HD PRO 53 1HD PRO 53 -0.098 0.566 -18.201
371 H ALA 54 H ALA 54 5.003 2.153 -15.725
372 HA ALA 54 HA ALA 54 4.255 4.180 -14.208
373 1HB ALA 54 1HB ALA 54 5.464 5.602 -15.635
374 2HB ALA 54 2HB ALA 54 4.713 4.952 -17.092
375 3HB ALA 54 3HB ALA 54 5.971 4.034 -16.263
376 H ASP 55 H ASP 55 3.477 6.209 -16.376
377 HA ASP 55 HA ASP 55 1.842 7.707 -16.039
378 1HB ASP 55 1HB ASP 55 0.782 6.621 -17.790
379 2HB ASP 55 2HB ASP 55 0.643 5.114 -16.915
380 H CYS 56 H CYS 56 2.859 7.044 -13.518
381 HA CYS 56 HA CYS 56 1.541 8.279 -11.790
382 1HB CYS 56 2HB CYS 56 2.809 9.888 -14.022
383 2HB CYS 56 1HB CYS 56 3.028 9.981 -12.265
384 H ASP 57 H ASP 57 0.999 11.117 -12.752
385 HA ASP 57 HA ASP 57 -1.136 9.547 -11.485
386 1HB ASP 57 2HB ASP 57 1.150 10.917 -10.504
387 2HB ASP 57 1HB ASP 57 -0.178 11.987 -10.090
388 HA PRO 58 HA PRO 58 -4.412 11.505 -12.639
389 1HB PRO 58 2HB PRO 58 -5.574 12.588 -10.201
390 2HB PRO 58 1HB PRO 58 -5.948 11.067 -11.002
391 1HG PRO 58 2HG PRO 58 -4.469 11.420 -8.555
392 2HG PRO 58 1HG PRO 58 -4.782 9.907 -9.396
393 1HD PRO 58 2HD PRO 58 -2.267 11.381 -9.246
394 2HD PRO 58 1HD PRO 58 -2.560 9.811 -10.017
395 H ASN 59 H ASN 59 -2.450 13.729 -10.765
396 HA ASN 59 HA ASN 59 -4.119 15.940 -11.703
397 1HB ASN 59 1HB ASN 59 -3.518 15.920 -9.255
398 2HB ASN 59 2HB ASN 59 -1.797 15.869 -9.709
399 1HD2 ASN 59 1HD2 ASN 59 -1.057 17.500 -11.157
400 2HD2 ASN 59 2HD2 ASN 59 -1.410 19.165 -10.707
401 H THR 60 H THR 60 -1.043 15.144 -11.172
402 HA THR 60 HA THR 60 -0.052 17.162 -13.091
403 HB THR 60 HB THR 60 0.604 17.425 -10.738
404 HG1 THR 60 HG1 THR 60 2.036 17.681 -12.851
405 1HG2 THR 60 1HG2 THR 60 0.891 14.823 -10.636
406 2HG2 THR 60 2HG2 THR 60 1.982 15.845 -9.673
407 3HG2 THR 60 3HG2 THR 60 2.527 15.154 -11.225
408 H GLN 61 H GLN 61 -0.593 14.345 -14.041
409 HA GLN 61 HA GLN 61 0.370 12.256 -14.149
410 1HB GLN 61 1HB GLN 61 1.485 13.900 -16.057
411 2HB GLN 61 2HB GLN 61 2.937 13.348 -15.260
412 1HG GLN 61 2HG GLN 61 2.481 11.781 -17.061
413 2HG GLN 61 1HG GLN 61 2.091 10.942 -15.565
414 1HE2 GLN 61 1HE2 GLN 61 0.142 10.004 -15.412
415 2HE2 GLN 61 2HE2 GLN 61 -1.328 10.857 -15.844
416 H ALA 62 H ALA 62 3.153 11.440 -14.002
417 HA ALA 62 HA ALA 62 5.107 11.628 -12.760
418 1HB ALA 62 1HB ALA 62 5.429 13.405 -14.384
419 2HB ALA 62 2HB ALA 62 5.830 14.166 -12.843
420 3HB ALA 62 3HB ALA 62 4.258 14.456 -13.590
421 H SER 63 H SER 63 3.824 10.847 -10.874
422 HA SER 63 HA SER 63 4.843 12.621 -8.792
423 1HB SER 63 2HB SER 63 2.084 12.603 -9.234
424 2HB SER 63 1HB SER 63 2.244 11.356 -7.997
425 HG SER 63 HG SER 63 3.667 13.046 -7.000
426 H CYS 64 H CYS 64 6.364 10.630 -9.394
427 HA CYS 64 HA CYS 64 4.868 8.160 -8.729
428 1HB CYS 64 2HB CYS 64 6.278 9.076 -11.163
429 2HB CYS 64 1HB CYS 64 6.818 7.484 -10.676
430 H GLU 65 H GLU 65 6.063 6.308 -7.916
431 HA GLU 65 HA GLU 65 7.772 7.771 -6.027
432 1HB GLU 65 1HB GLU 65 5.361 7.683 -5.336
433 2HB GLU 65 2HB GLU 65 5.396 5.941 -5.433
434 1HG GLU 65 2HG GLU 65 5.677 6.333 -3.110
435 2HG GLU 65 1HG GLU 65 7.336 6.089 -3.646
436 H CYS 66 H CYS 66 6.763 4.879 -7.104
437 HA CYS 66 HA CYS 66 7.664 3.388 -4.970
438 1HB CYS 66 1HB CYS 66 6.475 1.884 -7.234
439 2HB CYS 66 2HB CYS 66 5.856 2.211 -5.619
440 HA PRO 67 HA PRO 67 7.019 0.529 -5.906
441 1HB PRO 67 1HB PRO 67 8.357 -1.893 -6.741
442 2HB PRO 67 2HB PRO 67 6.863 -1.165 -7.348
443 1HG PRO 67 2HG PRO 67 9.475 -1.276 -8.616
444 2HG PRO 67 1HG PRO 67 7.962 -0.680 -9.283
445 1HD PRO 67 2HD PRO 67 10.225 0.887 -8.346
446 2HD PRO 67 1HD PRO 67 8.716 1.485 -9.047
447 H GLU 68 H GLU 68 7.926 -1.584 -3.888
448 HA GLU 68 HA GLU 68 10.592 -1.644 -3.807
449 1HB GLU 68 2HB GLU 68 10.549 -4.098 -3.837
450 2HB GLU 68 1HB GLU 68 9.121 -3.506 -3.024
451 1HG GLU 68 2HG GLU 68 7.695 -4.307 -4.661
452 2HG GLU 68 1HG GLU 68 8.796 -3.899 -5.973
453 H GLY 69 H GLY 69 9.795 -0.521 -6.550
454 1HA GLY 69 2HA GLY 69 12.646 -1.324 -6.793
455 2HA GLY 69 1HA GLY 69 11.858 -0.160 -7.901
456 H TYR 70 H TYR 70 10.264 1.138 -5.736
457 HA TYR 70 HA TYR 70 10.671 3.182 -4.696
458 1HB TYR 70 2HB TYR 70 10.811 1.376 -2.879
459 2HB TYR 70 1HB TYR 70 12.541 1.306 -3.132
460 HD1 TYR 70 HD1 TYR 70 10.378 4.401 -3.138
461 HD2 TYR 70 HD2 TYR 70 13.382 2.048 -1.026
462 HE1 TYR 70 HE1 TYR 70 10.697 6.283 -1.496
463 HE2 TYR 70 HE2 TYR 70 13.704 3.929 0.615
464 HH TYR 70 HH TYR 70 13.034 6.014 1.231
465 H ILE 71 H ILE 71 13.193 2.527 -6.914
466 HA ILE 71 HA ILE 71 11.929 5.063 -6.701
467 HB ILE 71 HB ILE 71 14.538 4.929 -5.648
468 1HG1 ILE 71 1HG1 ILE 71 14.257 7.561 -5.821
469 2HG1 ILE 71 2HG1 ILE 71 12.650 7.151 -6.372
470 1HG2 ILE 71 1HG2 ILE 71 15.975 6.306 -7.005
471 2HG2 ILE 71 2HG2 ILE 71 14.717 6.538 -8.219
472 3HG2 ILE 71 3HG2 ILE 71 15.442 4.946 -7.993
473 1HD1 ILE 71 1HD1 ILE 71 12.206 5.875 -4.295
474 2HD1 ILE 71 2HD1 ILE 71 12.756 7.498 -3.876
475 3HD1 ILE 71 3HD1 ILE 71 13.864 6.131 -3.750
476 H LEU 72 H LEU 72 13.236 6.462 -8.946
477 HA LEU 72 HA LEU 72 10.684 5.995 -9.423
478 1HB LEU 72 2HB LEU 72 12.780 6.739 -11.457
479 2HB LEU 72 1HB LEU 72 11.075 6.895 -11.823
480 HG LEU 72 HG LEU 72 12.912 8.504 -10.145
481 1HD1 LEU 72 1HD2 LEU 72 11.365 10.340 -10.801
482 2HD1 LEU 72 2HD2 LEU 72 10.307 9.161 -11.582
483 3HD1 LEU 72 3HD2 LEU 72 11.949 9.430 -12.190
484 1HD2 LEU 72 1HD1 LEU 72 11.613 7.606 -8.341
485 2HD2 LEU 72 2HD1 LEU 72 10.098 7.888 -9.212
486 3HD2 LEU 72 3HD1 LEU 72 11.056 9.266 -8.635
487 H ASP 73 H ASP 73 10.185 5.075 -12.300
488 HA ASP 73 HA ASP 73 11.926 4.710 -13.848
489 1HB ASP 73 2HB ASP 73 13.618 5.021 -12.021
490 2HB ASP 73 1HB ASP 73 13.368 3.370 -11.497
491 H ASP 74 H ASP 74 13.223 2.035 -14.399
492 HA ASP 74 HA ASP 74 12.405 2.484 -16.539
493 1HB ASP 74 2HB ASP 74 10.837 0.532 -17.105
494 2HB ASP 74 1HB ASP 74 12.301 0.064 -16.248
495 H GLY 75 H GLY 75 11.511 4.638 -15.936
496 1HA GLY 75 2HA GLY 75 10.049 5.589 -17.628
497 2HA GLY 75 1HA GLY 75 8.827 4.377 -17.205
498 H PHE 76 H PHE 76 8.875 4.438 -14.865
499 HA PHE 76 HA PHE 76 9.406 6.359 -13.029
500 1HB PHE 76 2HB PHE 76 6.971 7.141 -14.578
501 2HB PHE 76 1HB PHE 76 6.749 7.260 -12.846
502 HD1 PHE 76 HD1 PHE 76 6.417 9.699 -13.052
503 HD2 PHE 76 HD2 PHE 76 10.170 7.800 -14.204
504 HE1 PHE 76 HE1 PHE 76 7.549 11.945 -13.061
505 HE2 PHE 76 HE2 PHE 76 11.300 10.050 -14.226
506 HZ PHE 76 HZ PHE 76 9.990 12.121 -13.650
507 H ILE 77 H ILE 77 8.680 3.450 -13.198
508 HA ILE 77 HA ILE 77 6.144 3.707 -13.853
509 HB ILE 77 HB ILE 77 6.771 1.772 -14.683
510 1HG1 ILE 77 1HG1 ILE 77 4.699 1.091 -13.491
511 2HG1 ILE 77 2HG1 ILE 77 5.801 -0.207 -13.777
512 1HG2 ILE 77 1HG2 ILE 77 8.104 0.037 -13.140
513 2HG2 ILE 77 2HG2 ILE 77 8.482 1.523 -12.259
514 3HG2 ILE 77 3HG2 ILE 77 8.888 1.386 -13.972
515 1HD1 ILE 77 1HD1 ILE 77 6.605 0.760 -11.242
516 2HD1 ILE 77 2HD1 ILE 77 5.645 -0.689 -11.541
517 3HD1 ILE 77 3HD1 ILE 77 4.845 0.845 -11.203
518 H CYS 78 H CYS 78 4.201 2.532 -13.016
519 HA CYS 78 HA CYS 78 2.769 2.426 -11.020
520 1HB CYS 78 2HB CYS 78 4.622 4.698 -10.175
521 2HB CYS 78 1HB CYS 78 3.030 4.548 -9.470
522 H THR 79 H THR 79 0.888 5.207 -10.820
523 HA THR 79 HA THR 79 0.740 2.423 -10.955
524 HB THR 79 HB THR 79 -1.659 2.674 -10.641
525 HG1 THR 79 HG1 THR 79 -2.612 3.923 -11.886
526 1HG2 THR 79 1HG2 THR 79 -0.783 5.369 -9.579
527 2HG2 THR 79 2HG2 THR 79 -0.004 3.922 -8.938
528 3HG2 THR 79 3HG2 THR 79 -1.750 4.123 -8.790
529 H ASP 80 H ASP 80 0.703 0.994 -13.018
530 HA ASP 80 HA ASP 80 -1.182 0.899 -14.746
531 1HB ASP 80 1HB ASP 80 -0.761 -0.596 -12.372
532 2HB ASP 80 2HB ASP 80 -2.490 -0.217 -12.344
533 H ILE 81 H ILE 81 -2.288 2.922 -15.240
534 HA ILE 81 HA ILE 81 -4.560 3.775 -14.196
535 HB ILE 81 HB ILE 81 -3.770 3.388 -16.723
536 1HG1 ILE 81 2HG1 ILE 81 -5.968 4.248 -17.481
537 2HG1 ILE 81 1HG1 ILE 81 -6.670 3.827 -15.939
538 1HG2 ILE 81 1HG2 ILE 81 -6.175 1.547 -16.707
539 2HG2 ILE 81 2HG2 ILE 81 -4.544 0.902 -16.520
540 3HG2 ILE 81 3HG2 ILE 81 -4.978 1.794 -17.979
541 1HD1 ILE 81 1HD1 ILE 81 -5.705 5.632 -14.848
542 2HD1 ILE 81 2HD1 ILE 81 -5.637 6.304 -16.477
543 3HD1 ILE 81 3HD1 ILE 81 -4.211 5.535 -15.777
544 H ASP 82 H ASP 82 -6.871 2.909 -14.382
545 HA ASP 82 HA ASP 82 -7.203 0.749 -12.654
546 1HB ASP 82 1HB ASP 82 -9.571 0.572 -13.791
547 2HB ASP 82 2HB ASP 82 -9.154 2.102 -13.032
548 H GLU 83 H GLU 83 -7.480 0.611 -16.339
549 HA GLU 83 HA GLU 83 -9.357 -1.338 -15.787
550 1HB GLU 83 1HB GLU 83 -8.683 -0.057 -18.048
551 2HB GLU 83 2HB GLU 83 -7.767 -1.510 -18.371
552 1HG GLU 83 1HG GLU 83 -10.345 -2.405 -17.510
553 2HG GLU 83 2HG GLU 83 -10.636 -1.080 -18.634
554 H1 NAG 121 H1 ASN 21 -16.279 1.652 9.186
555 H2 NAG 121 H2 ASN 21 -13.734 0.355 8.771
556 H3 NAG 121 H3 ASN 21 -14.195 -0.480 6.406
557 H4 NAG 121 H4 ASN 21 -16.578 -1.470 6.185
558 H5 NAG 121 H5 ASN 21 -17.695 0.854 7.593
559 1H6 NAG 121 1H6 ASN 21 -19.094 -1.181 8.583
560 2H6 NAG 121 2H6 ASN 21 -18.301 -2.100 7.303
561 1H8 NAG 121 1H8 ASN 21 -11.414 2.027 8.274
562 2H8 NAG 121 2H8 ASN 21 -12.235 1.032 7.053
563 3H8 NAG 121 3H8 ASN 21 -11.717 2.682 6.655
564 HN2 NAG 121 HN2 ASN 21 -15.121 2.067 6.813
565 HO4 NAG 121 HO4 ASN 21 -16.712 1.253 6.027
566 HO3 NAG 121 HO3 ASN 21 -13.791 -2.033 7.699
567 HO6 NAG 121 H6 ASN 21 -20.164 -1.278 6.552
568 H1 NAG 148 H1 ASN 48 1.392 -7.905 -7.567
569 H2 NAG 148 H2 ASN 48 -1.042 -6.478 -7.174
570 H3 NAG 148 H3 ASN 48 -2.235 -8.057 -5.599
571 H4 NAG 148 H4 ASN 48 -1.897 -10.553 -6.319
572 H5 NAG 148 H5 ASN 48 0.996 -9.940 -6.549
573 1H6 NAG 148 1H6 ASN 48 0.276 -11.662 -8.614
574 2H6 NAG 148 2H6 ASN 48 -0.936 -12.033 -7.388
575 1H8 NAG 148 1H8 ASN 48 -0.794 -4.444 -4.030
576 2H8 NAG 148 2H8 ASN 48 -1.425 -4.540 -5.678
577 3H8 NAG 148 3H8 ASN 48 -1.688 -5.889 -4.561
578 HN2 NAG 148 HN2 ASN 48 0.558 -7.800 -5.074
579 HO4 NAG 148 HO4 ASN 48 -0.821 -10.772 -4.565
580 HO3 NAG 148 HO3 ASN 48 -2.201 -9.029 -8.205
581 HO6 NAG 148 H6 ASN 48 0.936 -12.077 -5.937
Start of MODEL 7
1 1H HIS 1 1H HIS 1 -5.319 -12.197 20.226
2 2H HIS 1 2H HIS 1 -4.136 -12.097 19.012
3 3H HIS 1 3H HIS 1 -5.186 -13.430 19.066
4 HA HIS 1 HA HIS 1 -4.139 -13.454 21.504
5 1HB HIS 1 1HB HIS 1 -4.369 -15.238 19.487
6 2HB HIS 1 2HB HIS 1 -2.656 -14.921 19.330
7 HD2 HIS 1 HD2 HIS 1 -1.090 -16.157 21.024
8 HE1 HIS 1 HE1 HIS 1 -4.004 -17.596 23.830
9 HE2 HIS 1 HE2 HIS 1 -1.514 -17.687 23.183
10 H MET 2 H MET 2 -2.682 -10.754 20.107
11 HA MET 2 HA MET 2 -3.155 -11.419 22.767
12 1HB MET 2 2HB MET 2 -0.592 -12.258 22.103
13 2HB MET 2 1HB MET 2 -0.258 -10.658 22.718
14 1HG MET 2 1HG MET 2 -1.939 -11.525 24.687
15 2HG MET 2 2HG MET 2 -1.289 -13.072 24.171
16 1HE MET 2 1HE MET 2 2.466 -12.860 24.732
17 2HE MET 2 2HE MET 2 1.606 -12.536 23.217
18 3HE MET 2 3HE MET 2 1.059 -13.840 24.284
19 H GLU 3 H GLU 3 -1.347 -9.542 24.013
20 HA GLU 3 HA GLU 3 -1.232 -7.324 24.474
21 1HB GLU 3 2HB GLU 3 -1.479 -6.503 21.597
22 2HB GLU 3 1HB GLU 3 -0.289 -6.012 22.798
23 1HG GLU 3 1HG GLU 3 -0.352 -8.569 21.145
24 2HG GLU 3 2HG GLU 3 0.869 -7.304 21.145
25 HA PRO 4 HA PRO 4 -5.071 -5.007 23.660
26 1HB PRO 4 1HB PRO 4 -3.682 -2.574 24.330
27 2HB PRO 4 2HB PRO 4 -4.867 -3.422 25.315
28 1HG PRO 4 1HG PRO 4 -1.992 -3.264 25.727
29 2HG PRO 4 2HG PRO 4 -3.189 -4.042 26.757
30 1HD PRO 4 1HD PRO 4 -1.273 -5.325 24.985
31 2HD PRO 4 2HD PRO 4 -2.464 -6.111 26.035
32 H VAL 5 H VAL 5 -3.017 -5.842 21.755
33 HA VAL 5 HA VAL 5 -2.196 -3.639 20.236
34 HB VAL 5 HB VAL 5 -1.243 -5.551 19.420
35 1HG1 VAL 5 1HG1 VAL 5 -3.612 -6.946 20.374
36 2HG1 VAL 5 2HG1 VAL 5 -3.221 -7.469 18.744
37 3HG1 VAL 5 3HG1 VAL 5 -2.000 -7.573 20.001
38 1HG2 VAL 5 1HG2 VAL 5 -2.789 -4.264 17.574
39 2HG2 VAL 5 2HG2 VAL 5 -1.667 -5.568 17.183
40 3HG2 VAL 5 3HG2 VAL 5 -3.383 -5.913 17.398
41 H ASP 6 H ASP 6 -3.391 -2.149 19.015
42 HA ASP 6 HA ASP 6 -5.305 -1.856 20.818
43 1HB ASP 6 1HB ASP 6 -4.712 0.167 19.730
44 2HB ASP 6 2HB ASP 6 -5.209 -0.319 18.227
45 HA PRO 7 HA PRO 7 -6.415 -4.525 17.483
46 1HB PRO 7 1HB PRO 7 -7.198 -3.287 15.035
47 2HB PRO 7 2HB PRO 7 -8.116 -4.496 15.926
48 1HG PRO 7 1HG PRO 7 -8.696 -1.657 15.620
49 2HG PRO 7 2HG PRO 7 -9.679 -2.878 16.418
50 1HD PRO 7 1HD PRO 7 -8.006 -0.824 17.658
51 2HD PRO 7 2HD PRO 7 -9.075 -1.982 18.465
52 H CYS 8 H CYS 8 -6.030 -1.161 16.879
53 HA CYS 8 HA CYS 8 -4.072 -1.265 14.799
54 1HB CYS 8 2HB CYS 8 -5.323 0.748 14.838
55 2HB CYS 8 1HB CYS 8 -5.234 0.863 16.596
56 H PHE 9 H PHE 9 -3.673 0.470 17.790
57 HA PHE 9 HA PHE 9 -1.057 0.553 18.105
58 1HB PHE 9 1HB PHE 9 -2.717 1.265 19.846
59 2HB PHE 9 2HB PHE 9 -2.924 -0.449 20.270
60 HD1 PHE 9 HD1 PHE 9 -1.657 -1.337 22.059
61 HD2 PHE 9 HD2 PHE 9 -0.174 2.142 19.886
62 HE1 PHE 9 HE1 PHE 9 0.288 -1.176 23.647
63 HE2 PHE 9 HE2 PHE 9 1.773 2.304 21.474
64 HZ PHE 9 HZ PHE 9 2.004 0.645 23.355
65 H ARG 10 H ARG 10 0.478 -0.718 19.566
66 HA ARG 10 HA ARG 10 1.934 -2.369 19.323
67 1HB ARG 10 2HB ARG 10 -0.383 -3.767 19.501
68 2HB ARG 10 1HB ARG 10 0.395 -4.463 18.069
69 1HG ARG 10 1HG ARG 10 1.879 -3.840 20.627
70 2HG ARG 10 2HG ARG 10 0.930 -5.231 20.543
71 1HD ARG 10 1HD ARG 10 2.380 -5.619 18.214
72 2HD ARG 10 2HD ARG 10 3.559 -4.719 19.187
73 HE ARG 10 HE ARG 10 2.290 -7.002 20.508
74 1HH1 ARG 10 2HH1 ARG 10 5.388 -5.745 18.798
75 2HH1 ARG 10 1HH1 ARG 10 5.193 -7.323 18.111
76 1HH2 ARG 10 1HH2 ARG 10 4.939 -7.487 21.698
77 2HH2 ARG 10 2HH2 ARG 10 4.788 -8.816 20.599
78 H ALA 11 H ALA 11 0.606 -0.851 16.929
79 HA ALA 11 HA ALA 11 -0.394 -2.914 15.536
80 1HB ALA 11 1HB ALA 11 -1.240 -1.448 13.866
81 2HB ALA 11 2HB ALA 11 -0.881 -0.348 15.191
82 3HB ALA 11 3HB ALA 11 0.222 -0.463 13.828
83 H ASN 12 H ASN 12 0.927 -2.508 12.350
84 HA ASN 12 HA ASN 12 2.409 -0.481 13.540
85 1HB ASN 12 1HB ASN 12 3.840 -3.071 13.414
86 2HB ASN 12 2HB ASN 12 4.718 -1.818 12.546
87 1HD2 ASN 12 2HD2 ASN 12 4.772 0.499 14.024
88 2HD2 ASN 12 1HD2 ASN 12 6.101 -0.259 14.877
89 H CYS 13 H CYS 13 0.562 -0.915 11.200
90 HA CYS 13 HA CYS 13 1.188 0.165 9.109
91 1HB CYS 13 2HB CYS 13 -0.117 1.369 11.607
92 2HB CYS 13 1HB CYS 13 -0.464 1.870 9.975
93 H GLU 14 H GLU 14 2.280 1.417 8.352
94 HA GLU 14 HA GLU 14 4.435 2.774 9.886
95 1HB GLU 14 1HB GLU 14 5.215 1.015 8.380
96 2HB GLU 14 2HB GLU 14 4.409 1.767 7.028
97 1HG GLU 14 1HG GLU 14 6.130 3.776 8.153
98 2HG GLU 14 2HG GLU 14 7.077 2.296 8.053
99 H TYR 15 H TYR 15 2.634 3.561 6.674
100 HA TYR 15 HA TYR 15 1.895 5.972 7.983
101 1HB TYR 15 2HB TYR 15 1.098 4.713 5.724
102 2HB TYR 15 1HB TYR 15 -0.260 4.235 6.716
103 HD1 TYR 15 HD1 TYR 15 -1.677 6.131 7.838
104 HD2 TYR 15 HD2 TYR 15 1.436 6.907 4.880
105 HE1 TYR 15 HE1 TYR 15 -2.625 8.421 7.443
106 HE2 TYR 15 HE2 TYR 15 0.482 9.203 4.481
107 HH TYR 15 HH TYR 15 -2.175 10.497 6.469
108 H GLN 16 H GLN 16 -0.874 4.798 8.193
109 HA GLN 16 HA GLN 16 -0.483 3.667 10.914
110 1HB GLN 16 1HB GLN 16 -0.910 6.303 10.720
111 2HB GLN 16 2HB GLN 16 -2.593 5.790 10.658
112 1HG GLN 16 1HG GLN 16 -2.100 4.356 12.736
113 2HG GLN 16 2HG GLN 16 -0.519 5.109 12.810
114 1HE2 GLN 16 1HE2 GLN 16 -3.950 5.506 13.112
115 2HE2 GLN 16 2HE2 GLN 16 -3.969 7.046 13.951
116 H CYS 17 H CYS 17 -3.279 4.366 11.462
117 HA CYS 17 HA CYS 17 -3.788 1.523 10.865
118 1HB CYS 17 1HB CYS 17 -4.579 3.297 13.225
119 2HB CYS 17 2HB CYS 17 -5.192 1.664 13.073
120 H GLN 18 H GLN 18 -5.052 1.302 9.226
121 HA GLN 18 HA GLN 18 -6.992 2.839 8.234
122 1HB GLN 18 2HB GLN 18 -6.296 0.934 7.066
123 2HB GLN 18 1HB GLN 18 -6.745 -0.170 8.361
124 1HG GLN 18 1HG GLN 18 -8.566 -0.554 6.988
125 2HG GLN 18 2HG GLN 18 -9.215 0.894 7.740
126 1HE2 GLN 18 1HE2 GLN 18 -8.078 3.180 6.287
127 2HE2 GLN 18 2HE2 GLN 18 -6.829 2.441 5.305
128 HA PRO 19 HA PRO 19 -7.346 -0.767 10.158
129 1HB PRO 19 1HB PRO 19 -9.619 -1.485 11.863
130 2HB PRO 19 2HB PRO 19 -7.903 -1.735 12.150
131 1HG PRO 19 1HG PRO 19 -9.592 0.240 13.387
132 2HG PRO 19 2HG PRO 19 -7.865 0.010 13.629
133 1HD PRO 19 1HD PRO 19 -9.147 2.177 12.208
134 2HD PRO 19 2HD PRO 19 -7.408 1.896 12.379
135 H LEU 20 H LEU 20 -8.414 -2.678 9.333
136 HA LEU 20 HA LEU 20 -11.012 -2.060 8.176
137 1HB LEU 20 1HB LEU 20 -9.378 -2.235 6.244
138 2HB LEU 20 2HB LEU 20 -8.983 -3.858 6.749
139 HG LEU 20 HG LEU 20 -11.836 -3.542 6.825
140 1HD1 LEU 20 1HD1 LEU 20 -12.132 -3.379 4.255
141 2HD1 LEU 20 2HD1 LEU 20 -11.727 -1.873 5.084
142 3HD1 LEU 20 3HD1 LEU 20 -10.481 -2.756 4.201
143 1HD2 LEU 20 1HD2 LEU 20 -11.385 -5.405 4.857
144 2HD2 LEU 20 2HD2 LEU 20 -9.839 -5.436 5.696
145 3HD2 LEU 20 3HD2 LEU 20 -11.333 -5.754 6.580
146 H ASN 21 H ASN 21 -11.401 -2.847 9.944
147 HA ASN 21 HA ASN 21 -12.182 -5.115 11.223
148 1HB ASN 21 1HB ASN 21 -13.963 -3.407 9.502
149 2HB ASN 21 2HB ASN 21 -14.574 -4.987 10.063
150 1HD2 ASN 21 HD2 ASN 21 -16.176 -3.679 11.356
151 H GLN 22 H GLN 22 -11.517 -7.662 9.173
152 HA GLN 22 HA GLN 22 -12.915 -6.909 11.649
153 1HB GLN 22 1HB GLN 22 -13.975 -8.675 9.555
154 2HB GLN 22 2HB GLN 22 -13.766 -9.576 11.036
155 1HG GLN 22 1HG GLN 22 -15.074 -7.717 12.244
156 2HG GLN 22 2HG GLN 22 -15.435 -7.045 10.656
157 1HE2 GLN 22 2HE2 GLN 22 -17.663 -7.891 9.919
158 2HE2 GLN 22 1HE2 GLN 22 -18.236 -8.413 11.492
159 H THR 23 H THR 23 -10.718 -8.145 13.400
160 HA THR 23 HA THR 23 -10.575 -6.247 11.302
161 HB THR 23 HB THR 23 -8.572 -5.365 12.539
162 HG1 THR 23 HG1 THR 23 -8.164 -6.593 14.504
163 1HG2 THR 23 1HG2 THR 23 -11.216 -5.846 13.733
164 2HG2 THR 23 2HG2 THR 23 -9.960 -5.723 14.966
165 3HG2 THR 23 3HG2 THR 23 -10.201 -4.407 13.817
166 H SER 24 H SER 24 -9.809 -6.514 9.322
167 HA SER 24 HA SER 24 -7.477 -7.515 8.436
168 1HB SER 24 2HB SER 24 -8.606 -5.802 7.203
169 2HB SER 24 1HB SER 24 -8.222 -4.592 8.424
170 HG SER 24 HG SER 24 -6.693 -4.360 6.982
171 H TYR 25 H TYR 25 -7.796 -5.865 11.151
172 HA TYR 25 HA TYR 25 -7.410 -3.606 10.362
173 1HB TYR 25 2HB TYR 25 -6.087 -2.537 12.285
174 2HB TYR 25 1HB TYR 25 -7.438 -3.562 12.773
175 HD1 TYR 25 HD1 TYR 25 -7.052 -5.419 14.267
176 HD2 TYR 25 HD2 TYR 25 -3.708 -3.583 12.163
177 HE1 TYR 25 HE1 TYR 25 -5.440 -6.760 15.665
178 HE2 TYR 25 HE2 TYR 25 -2.090 -4.904 13.573
179 HH TYR 25 HH TYR 25 -1.907 -6.641 15.075
180 H LEU 26 H LEU 26 -6.393 -2.337 9.346
181 HA LEU 26 HA LEU 26 -3.947 -3.438 8.194
182 1HB LEU 26 2HB LEU 26 -5.307 -3.816 6.456
183 2HB LEU 26 1HB LEU 26 -6.644 -3.112 7.395
184 HG LEU 26 HG LEU 26 -5.887 -0.914 6.626
185 1HD1 LEU 26 1HD2 LEU 26 -4.869 -1.767 4.037
186 2HD1 LEU 26 2HD2 LEU 26 -4.108 -0.678 5.194
187 3HD1 LEU 26 3HD2 LEU 26 -3.832 -2.420 5.303
188 1HD2 LEU 26 1HD1 LEU 26 -7.708 -1.079 5.268
189 2HD2 LEU 26 2HD1 LEU 26 -6.833 -2.095 4.123
190 3HD2 LEU 26 3HD1 LEU 26 -7.630 -2.825 5.514
191 H CYS 27 H CYS 27 -2.979 -1.744 6.468
192 HA CYS 27 HA CYS 27 -2.446 0.483 8.375
193 1HB CYS 27 1HB CYS 27 -0.386 -0.937 6.683
194 2HB CYS 27 2HB CYS 27 -0.118 0.496 7.682
195 H VAL 28 H VAL 28 -2.049 2.639 7.427
196 HA VAL 28 HA VAL 28 -4.557 2.472 6.192
197 HB VAL 28 HB VAL 28 -2.705 4.785 6.767
198 1HG1 VAL 28 1HG2 VAL 28 -5.507 4.904 5.628
199 2HG1 VAL 28 2HG2 VAL 28 -4.912 6.233 6.623
200 3HG1 VAL 28 3HG2 VAL 28 -4.069 5.801 5.129
201 1HG2 VAL 28 1HG1 VAL 28 -5.240 4.731 8.295
202 2HG2 VAL 28 2HG1 VAL 28 -4.246 3.312 8.569
203 3HG2 VAL 28 3HG1 VAL 28 -3.599 4.947 8.864
204 H CYS 29 H CYS 29 -1.713 2.638 4.770
205 HA CYS 29 HA CYS 29 -1.308 5.109 3.909
206 1HB CYS 29 1HB CYS 29 -0.317 2.493 2.967
207 2HB CYS 29 2HB CYS 29 -0.263 3.636 1.672
208 H ALA 30 H ALA 30 -0.697 5.370 1.857
209 HA ALA 30 HA ALA 30 -2.670 7.266 1.868
210 1HB ALA 30 1HB ALA 30 -0.264 7.811 1.437
211 2HB ALA 30 2HB ALA 30 -0.454 7.304 -0.241
212 3HB ALA 30 3HB ALA 30 -1.330 8.713 0.359
213 H GLU 31 H GLU 31 -4.783 6.113 0.885
214 HA GLU 31 HA GLU 31 -4.001 3.949 -0.222
215 1HB GLU 31 1HB GLU 31 -6.211 3.524 -0.054
216 2HB GLU 31 2HB GLU 31 -6.362 5.136 0.530
217 1HG GLU 31 1HG GLU 31 -6.673 4.411 -2.411
218 2HG GLU 31 2HG GLU 31 -8.006 4.686 -1.281
219 H GLY 32 H GLY 32 -4.770 2.953 -2.444
220 1HA GLY 32 1HA GLY 32 -3.533 2.661 -4.379
221 2HA GLY 32 2HA GLY 32 -3.195 4.417 -4.410
222 H PHE 33 H PHE 33 -2.600 2.708 -1.489
223 HA PHE 33 HA PHE 33 0.143 1.969 -2.086
224 1HB PHE 33 2HB PHE 33 -0.643 4.294 -0.266
225 2HB PHE 33 1HB PHE 33 0.854 3.398 0.046
226 HD1 PHE 33 HD1 PHE 33 -0.934 5.499 -2.503
227 HD2 PHE 33 HD2 PHE 33 2.846 3.750 -1.218
228 HE1 PHE 33 HE1 PHE 33 0.304 7.008 -4.097
229 HE2 PHE 33 HE2 PHE 33 4.089 5.276 -2.788
230 HZ PHE 33 HZ PHE 33 2.816 6.889 -4.244
231 H ALA 34 H ALA 34 -0.242 -0.178 -1.361
232 HA ALA 34 HA ALA 34 -2.796 -0.062 0.019
233 1HB ALA 34 1HB ALA 34 -2.723 -2.659 -0.627
234 2HB ALA 34 2HB ALA 34 -2.864 -1.464 -1.915
235 3HB ALA 34 3HB ALA 34 -1.296 -2.175 -1.549
236 HA PRO 35 HA PRO 35 0.468 -3.063 1.785
237 1HB PRO 35 1HB PRO 35 -0.733 -5.588 1.120
238 2HB PRO 35 2HB PRO 35 -0.268 -5.033 2.722
239 1HG PRO 35 1HG PRO 35 -2.955 -5.327 1.650
240 2HG PRO 35 2HG PRO 35 -2.493 -4.842 3.276
241 1HD PRO 35 2HD PRO 35 -3.516 -3.148 1.136
242 2HD PRO 35 1HD PRO 35 -3.103 -2.668 2.788
243 H ILE 36 H ILE 36 1.527 -2.329 -0.327
244 HA ILE 36 HA ILE 36 2.039 -4.046 -2.233
245 HB ILE 36 HB ILE 36 3.724 -2.713 -1.145
246 1HG1 ILE 36 1HG1 ILE 36 4.316 -5.227 -2.145
247 2HG1 ILE 36 2HG1 ILE 36 5.347 -3.843 -1.994
248 1HG2 ILE 36 1HG2 ILE 36 4.762 -3.631 1.068
249 2HG2 ILE 36 2HG2 ILE 36 3.284 -2.678 1.103
250 3HG2 ILE 36 3HG2 ILE 36 3.195 -4.430 1.249
251 1HD1 ILE 36 1HD1 ILE 36 5.042 -5.512 0.484
252 2HD1 ILE 36 2HD1 ILE 36 5.931 -6.206 -0.865
253 3HD1 ILE 36 3HD1 ILE 36 6.450 -4.668 -0.156
254 HA PRO 37 HA PRO 37 2.362 -8.547 -0.891
255 1HB PRO 37 2HB PRO 37 5.130 -7.807 -1.737
256 2HB PRO 37 1HB PRO 37 4.191 -9.225 -2.161
257 1HG PRO 37 1HG PRO 37 4.544 -6.917 -3.796
258 2HG PRO 37 2HG PRO 37 3.381 -8.205 -4.086
259 1HD PRO 37 1HD PRO 37 2.770 -5.496 -3.353
260 2HD PRO 37 2HD PRO 37 1.625 -6.835 -3.457
261 H HIS 38 H HIS 38 5.583 -8.361 0.019
262 HA HIS 38 HA HIS 38 4.094 -10.098 1.423
263 1HB HIS 38 1HB HIS 38 5.986 -10.064 3.240
264 2HB HIS 38 2HB HIS 38 6.300 -10.700 1.613
265 HD1 HIS 38 HD1 HIS 38 8.977 -10.088 1.887
266 HD2 HIS 38 HD2 HIS 38 6.198 -6.904 2.037
267 HE1 HIS 38 HE1 HIS 38 10.345 -7.925 1.655
268 H GLU 39 H GLU 39 5.676 -8.159 3.429
269 HA GLU 39 HA GLU 39 4.272 -9.002 5.528
270 1HB GLU 39 2HB GLU 39 5.775 -6.392 5.315
271 2HB GLU 39 1HB GLU 39 4.953 -6.760 6.841
272 1HG GLU 39 1HG GLU 39 7.027 -8.516 5.475
273 2HG GLU 39 2HG GLU 39 7.307 -7.531 6.901
274 HA PRO 40 HA PRO 40 0.417 -6.623 5.960
275 1HB PRO 40 1HB PRO 40 0.234 -7.690 8.647
276 2HB PRO 40 2HB PRO 40 -0.759 -8.116 7.260
277 1HG PRO 40 1HG PRO 40 1.314 -9.713 8.498
278 2HG PRO 40 2HG PRO 40 0.316 -10.143 7.114
279 1HD PRO 40 1HD PRO 40 3.126 -9.375 7.114
280 2HD PRO 40 2HD PRO 40 2.139 -9.850 5.722
281 H HIS 41 H HIS 41 2.526 -4.912 6.111
282 HA HIS 41 HA HIS 41 0.516 -3.525 7.669
283 1HB HIS 41 2HB HIS 41 2.311 -2.095 8.786
284 2HB HIS 41 1HB HIS 41 2.023 -3.670 9.548
285 HD1 HIS 41 HD1 HIS 41 3.909 -5.566 7.808
286 HD2 HIS 41 HD2 HIS 41 4.834 -1.641 9.088
287 HE1 HIS 41 HE1 HIS 41 6.462 -5.317 7.602
288 H ARG 42 H ARG 42 1.921 -3.662 4.985
289 HA ARG 42 HA ARG 42 3.241 -1.018 5.025
290 1HB ARG 42 1HB ARG 42 3.505 -3.334 3.065
291 2HB ARG 42 2HB ARG 42 4.110 -1.756 2.662
292 1HG ARG 42 2HG ARG 42 5.937 -1.991 3.897
293 2HG ARG 42 1HG ARG 42 4.960 -2.304 5.337
294 1HD ARG 42 1HD ARG 42 4.832 -4.747 4.705
295 2HD ARG 42 2HD ARG 42 5.839 -4.427 3.281
296 HE ARG 42 HE ARG 42 6.724 -4.385 6.087
297 1HH1 ARG 42 2HH1 ARG 42 8.247 -2.773 3.145
298 2HH1 ARG 42 1HH1 ARG 42 8.067 -4.352 2.458
299 1HH2 ARG 42 1HH2 ARG 42 8.992 -5.716 5.479
300 2HH2 ARG 42 2HH2 ARG 42 9.890 -4.270 5.161
301 H CYS 43 H CYS 43 2.912 0.646 3.483
302 HA CYS 43 HA CYS 43 1.315 -0.092 1.163
303 1HB CYS 43 2HB CYS 43 2.448 2.332 0.573
304 2HB CYS 43 1HB CYS 43 0.976 2.055 1.497
305 H GLN 44 H GLN 44 2.188 -0.153 -0.968
306 HA GLN 44 HA GLN 44 4.648 1.123 -1.366
307 1HB GLN 44 2HB GLN 44 5.152 -1.460 -0.544
308 2HB GLN 44 1HB GLN 44 5.030 -1.713 -2.270
309 1HG GLN 44 1HG GLN 44 6.897 -0.311 -2.745
310 2HG GLN 44 2HG GLN 44 6.785 0.529 -1.202
311 1HE2 GLN 44 1HE2 GLN 44 6.891 -2.943 -2.199
312 2HE2 GLN 44 2HE2 GLN 44 7.612 -3.419 -0.672
313 H MET 45 H MET 45 4.319 2.100 -3.293
314 HA MET 45 HA MET 45 1.675 2.241 -3.368
315 1HB MET 45 1HB MET 45 1.910 3.851 -5.078
316 2HB MET 45 2HB MET 45 3.572 3.683 -4.560
317 1HG MET 45 1HG MET 45 3.702 3.547 -6.918
318 2HG MET 45 2HG MET 45 3.844 1.883 -6.377
319 1HE MET 45 1HE MET 45 3.621 1.023 -8.198
320 2HE MET 45 2HE MET 45 2.130 0.073 -8.274
321 3HE MET 45 3HE MET 45 2.450 1.324 -9.490
322 H PHE 46 H PHE 46 -0.152 1.233 -4.324
323 HA PHE 46 HA PHE 46 0.861 -1.416 -4.243
324 1HB PHE 46 1HB PHE 46 -1.127 -0.744 -2.924
325 2HB PHE 46 2HB PHE 46 -2.008 -0.398 -4.395
326 HD1 PHE 46 HD1 PHE 46 0.142 -3.340 -3.333
327 HD2 PHE 46 HD2 PHE 46 -3.765 -1.951 -4.682
328 HE1 PHE 46 HE1 PHE 46 -0.682 -5.717 -3.386
329 HE2 PHE 46 HE2 PHE 46 -4.594 -4.329 -4.733
330 HZ PHE 46 HZ PHE 46 -3.052 -6.212 -4.085
331 H CYS 47 H CYS 47 1.005 -0.035 -7.041
332 HA CYS 47 HA CYS 47 -1.642 0.351 -7.549
333 1HB CYS 47 2HB CYS 47 -1.225 0.840 -9.935
334 2HB CYS 47 1HB CYS 47 0.032 1.514 -8.933
335 H ASN 48 H ASN 48 -2.919 -0.777 -9.970
336 HA ASN 48 HA ASN 48 -3.568 -2.282 -7.502
337 1HB ASN 48 2HB ASN 48 -4.377 0.141 -7.578
338 2HB ASN 48 1HB ASN 48 -5.342 -0.260 -8.994
339 1HD2 ASN 48 HD2 ASN 48 -7.317 0.168 -8.059
340 H GLN 49 H GLN 49 -5.349 -1.371 -10.484
341 HA GLN 49 HA GLN 49 -4.742 -3.856 -11.696
342 1HB GLN 49 2HB GLN 49 -7.058 -3.840 -9.912
343 2HB GLN 49 1HB GLN 49 -7.603 -4.129 -11.546
344 1HG GLN 49 2HG GLN 49 -6.017 -6.040 -11.770
345 2HG GLN 49 1HG GLN 49 -5.396 -5.730 -10.152
346 1HE2 GLN 49 1HE2 GLN 49 -7.148 -5.848 -8.282
347 2HE2 GLN 49 2HE2 GLN 49 -8.809 -5.935 -8.839
348 H THR 50 H THR 50 -4.541 -1.896 -13.784
349 HA THR 50 HA THR 50 -5.816 -4.487 -14.133
350 HB THR 50 HB THR 50 -7.501 -3.416 -15.367
351 HG1 THR 50 HG1 THR 50 -5.849 -4.683 -16.676
352 1HG2 THR 50 1HG2 THR 50 -6.970 -1.099 -15.252
353 2HG2 THR 50 2HG2 THR 50 -6.836 -1.431 -16.979
354 3HG2 THR 50 3HG2 THR 50 -5.382 -1.325 -15.987
355 H ALA 51 H ALA 51 -3.250 -5.265 -14.102
356 HA ALA 51 HA ALA 51 -2.984 -2.814 -13.134
357 1HB ALA 51 1HB ALA 51 -1.008 -3.551 -12.177
358 2HB ALA 51 2HB ALA 51 -0.275 -3.924 -13.736
359 3HB ALA 51 3HB ALA 51 -1.389 -5.071 -12.989
360 H CYS 52 H CYS 52 -0.164 -2.103 -13.812
361 HA CYS 52 HA CYS 52 -1.989 0.018 -14.620
362 1HB CYS 52 2HB CYS 52 -0.485 1.031 -12.542
363 2HB CYS 52 1HB CYS 52 -1.995 0.196 -12.370
364 HA PRO 53 HA PRO 53 1.290 -1.071 -16.773
365 1HB PRO 53 2HB PRO 53 0.932 0.024 -19.352
366 2HB PRO 53 1HB PRO 53 0.026 -1.339 -18.702
367 1HG PRO 53 2HG PRO 53 -0.842 1.464 -19.099
368 2HG PRO 53 1HG PRO 53 -1.841 0.021 -18.863
369 1HD PRO 53 2HD PRO 53 -1.292 2.060 -16.927
370 2HD PRO 53 1HD PRO 53 -2.097 0.513 -16.620
371 H ALA 54 H ALA 54 2.330 1.259 -15.503
372 HA ALA 54 HA ALA 54 2.725 3.552 -15.866
373 1HB ALA 54 1HB ALA 54 5.021 3.552 -16.105
374 2HB ALA 54 2HB ALA 54 4.864 3.193 -17.821
375 3HB ALA 54 3HB ALA 54 4.939 1.871 -16.652
376 H ASP 55 H ASP 55 2.750 5.523 -17.703
377 HA ASP 55 HA ASP 55 4.330 3.946 -19.608
378 1HB ASP 55 1HB ASP 55 2.294 5.007 -20.664
379 2HB ASP 55 2HB ASP 55 2.923 6.583 -20.266
380 H CYS 56 H CYS 56 4.306 7.115 -19.770
381 HA CYS 56 HA CYS 56 4.772 8.928 -18.559
382 1HB CYS 56 2HB CYS 56 3.282 8.318 -17.065
383 2HB CYS 56 1HB CYS 56 3.817 6.642 -17.037
384 H ASP 57 H ASP 57 5.832 9.716 -16.317
385 HA ASP 57 HA ASP 57 7.663 11.163 -16.637
386 1HB ASP 57 1HB ASP 57 7.945 10.330 -14.455
387 2HB ASP 57 2HB ASP 57 8.295 8.698 -14.997
388 HA PRO 58 HA PRO 58 9.842 12.231 -18.294
389 1HB PRO 58 2HB PRO 58 8.588 13.067 -20.717
390 2HB PRO 58 1HB PRO 58 10.263 12.561 -20.535
391 1HG PRO 58 2HG PRO 58 8.087 11.121 -21.841
392 2HG PRO 58 1HG PRO 58 9.788 10.678 -21.769
393 1HD PRO 58 2HD PRO 58 7.572 9.535 -20.244
394 2HD PRO 58 1HD PRO 58 9.266 9.022 -20.243
395 H ASN 59 H ASN 59 6.518 11.113 -18.415
396 HA ASN 59 HA ASN 59 5.291 13.304 -19.581
397 1HB ASN 59 2HB ASN 59 4.748 10.793 -17.948
398 2HB ASN 59 1HB ASN 59 3.410 11.718 -18.618
399 1HD2 ASN 59 1HD2 ASN 59 3.505 9.006 -19.995
400 2HD2 ASN 59 2HD2 ASN 59 2.853 10.229 -21.070
401 H THR 60 H THR 60 5.878 12.306 -16.683
402 HA THR 60 HA THR 60 4.406 12.256 -14.489
403 HB THR 60 HB THR 60 5.568 14.236 -13.547
404 HG1 THR 60 HG1 THR 60 5.363 15.182 -16.159
405 1HG2 THR 60 1HG2 THR 60 6.946 12.430 -15.070
406 2HG2 THR 60 2HG2 THR 60 7.786 13.753 -14.242
407 3HG2 THR 60 3HG2 THR 60 7.337 13.876 -15.962
408 H GLN 61 H GLN 61 2.771 12.804 -16.904
409 HA GLN 61 HA GLN 61 0.625 12.642 -14.931
410 1HB GLN 61 1HB GLN 61 0.986 11.643 -17.512
411 2HB GLN 61 2HB GLN 61 1.376 10.231 -16.570
412 1HG GLN 61 2HG GLN 61 -0.808 9.968 -15.764
413 2HG GLN 61 1HG GLN 61 -1.160 11.693 -15.823
414 1HE2 GLN 61 2HE2 GLN 61 -1.336 8.688 -17.380
415 2HE2 GLN 61 1HE2 GLN 61 -2.326 9.232 -18.721
416 H ALA 62 H ALA 62 0.450 11.188 -13.258
417 HA ALA 62 HA ALA 62 1.333 10.123 -11.415
418 1HB ALA 62 1HB ALA 62 2.353 8.617 -13.865
419 2HB ALA 62 2HB ALA 62 0.907 8.254 -12.921
420 3HB ALA 62 3HB ALA 62 2.512 7.955 -12.240
421 H SER 63 H SER 63 3.885 9.086 -12.978
422 HA SER 63 HA SER 63 5.553 10.624 -13.991
423 1HB SER 63 2HB SER 63 5.907 11.740 -11.155
424 2HB SER 63 1HB SER 63 6.598 12.384 -12.645
425 HG SER 63 HG SER 63 4.166 12.383 -13.177
426 H CYS 64 H CYS 64 6.587 8.494 -14.226
427 HA CYS 64 HA CYS 64 5.592 7.167 -12.037
428 1HB CYS 64 2HB CYS 64 7.538 5.490 -13.479
429 2HB CYS 64 1HB CYS 64 5.806 5.317 -13.408
430 H GLU 65 H GLU 65 6.704 5.595 -10.435
431 HA GLU 65 HA GLU 65 8.239 7.866 -9.383
432 1HB GLU 65 2HB GLU 65 5.688 7.697 -8.880
433 2HB GLU 65 1HB GLU 65 6.086 6.315 -7.897
434 1HG GLU 65 2HG GLU 65 5.867 8.645 -6.715
435 2HG GLU 65 1HG GLU 65 7.208 7.604 -6.258
436 H CYS 66 H CYS 66 8.154 4.655 -9.486
437 HA CYS 66 HA CYS 66 7.447 4.705 -6.843
438 1HB CYS 66 1HB CYS 66 7.016 2.143 -8.245
439 2HB CYS 66 2HB CYS 66 5.857 3.365 -7.698
440 HA PRO 67 HA PRO 67 11.321 1.457 -6.862
441 1HB PRO 67 2HB PRO 67 12.397 3.158 -9.037
442 2HB PRO 67 1HB PRO 67 12.594 1.414 -8.761
443 1HG PRO 67 2HG PRO 67 10.811 2.702 -10.627
444 2HG PRO 67 1HG PRO 67 10.905 0.977 -10.280
445 1HD PRO 67 2HD PRO 67 8.725 2.710 -9.595
446 2HD PRO 67 1HD PRO 67 8.954 1.059 -9.027
447 H GLU 68 H GLU 68 13.570 2.806 -6.265
448 HA GLU 68 HA GLU 68 13.339 2.730 -3.943
449 1HB GLU 68 2HB GLU 68 12.102 5.478 -4.070
450 2HB GLU 68 1HB GLU 68 13.481 4.948 -3.143
451 1HG GLU 68 2HG GLU 68 13.553 5.355 -6.180
452 2HG GLU 68 1HG GLU 68 14.065 6.564 -5.013
453 H GLY 69 H GLY 69 11.885 1.291 -3.279
454 1HA GLY 69 1HA GLY 69 9.621 1.143 -2.218
455 2HA GLY 69 2HA GLY 69 9.050 2.144 -3.589
456 H TYR 70 H TYR 70 9.991 1.037 -5.859
457 HA TYR 70 HA TYR 70 10.925 -0.809 -6.910
458 1HB TYR 70 2HB TYR 70 12.518 0.246 -5.038
459 2HB TYR 70 1HB TYR 70 12.229 -1.256 -4.181
460 HD1 TYR 70 HD1 TYR 70 14.253 -2.466 -4.280
461 HD2 TYR 70 HD2 TYR 70 12.643 -0.651 -7.906
462 HE1 TYR 70 HE1 TYR 70 16.058 -3.575 -5.637
463 HE2 TYR 70 HE2 TYR 70 14.436 -1.773 -9.265
464 HH TYR 70 HH TYR 70 16.547 -4.220 -7.933
465 H ILE 71 H ILE 71 8.641 -2.732 -6.696
466 HA ILE 71 HA ILE 71 11.407 -3.150 -7.493
467 HB ILE 71 HB ILE 71 10.460 -4.948 -5.772
468 1HG1 ILE 71 1HG1 ILE 71 11.959 -6.150 -8.078
469 2HG1 ILE 71 2HG1 ILE 71 12.682 -4.798 -7.240
470 1HG2 ILE 71 1HG2 ILE 71 8.512 -5.484 -7.358
471 2HG2 ILE 71 2HG2 ILE 71 9.408 -6.866 -6.728
472 3HG2 ILE 71 3HG2 ILE 71 9.692 -6.310 -8.378
473 1HD1 ILE 71 1HD1 ILE 71 12.541 -7.570 -6.384
474 2HD1 ILE 71 2HD1 ILE 71 11.711 -6.565 -5.196
475 3HD1 ILE 71 3HD1 ILE 71 13.392 -6.231 -5.612
476 H LEU 72 H LEU 72 8.093 -2.919 -8.261
477 HA LEU 72 HA LEU 72 7.252 -2.457 -10.370
478 1HB LEU 72 2HB LEU 72 9.197 -0.821 -9.624
479 2HB LEU 72 1HB LEU 72 10.042 -1.448 -10.993
480 HG LEU 72 HG LEU 72 7.812 -0.929 -12.292
481 1HD1 LEU 72 1HD2 LEU 72 6.300 0.160 -11.104
482 2HD1 LEU 72 2HD2 LEU 72 7.472 1.474 -10.793
483 3HD1 LEU 72 3HD2 LEU 72 7.344 0.100 -9.681
484 1HD2 LEU 72 1HD1 LEU 72 9.312 1.574 -11.707
485 2HD2 LEU 72 2HD1 LEU 72 9.037 0.761 -13.250
486 3HD2 LEU 72 3HD1 LEU 72 10.317 0.202 -12.175
487 H ASP 73 H ASP 73 7.550 -3.190 -13.184
488 HA ASP 73 HA ASP 73 9.625 -1.552 -13.050
489 1HB ASP 73 2HB ASP 73 11.147 -2.840 -11.851
490 2HB ASP 73 1HB ASP 73 10.568 -4.334 -12.539
491 H ASP 74 H ASP 74 10.378 -0.879 -14.910
492 HA ASP 74 HA ASP 74 9.981 -0.447 -17.129
493 1HB ASP 74 2HB ASP 74 11.865 -2.452 -16.748
494 2HB ASP 74 1HB ASP 74 10.731 -3.309 -17.784
495 H GLY 75 H GLY 75 7.141 -1.154 -16.267
496 1HA GLY 75 2HA GLY 75 7.612 -0.216 -19.035
497 2HA GLY 75 1HA GLY 75 6.328 0.292 -17.940
498 H PHE 76 H PHE 76 6.549 1.749 -16.794
499 HA PHE 76 HA PHE 76 8.855 1.516 -15.155
500 1HB PHE 76 2HB PHE 76 8.883 3.938 -16.543
501 2HB PHE 76 1HB PHE 76 8.114 4.401 -15.035
502 HD1 PHE 76 HD1 PHE 76 9.485 5.117 -13.276
503 HD2 PHE 76 HD2 PHE 76 11.062 2.295 -16.202
504 HE1 PHE 76 HE1 PHE 76 11.731 5.195 -12.139
505 HE2 PHE 76 HE2 PHE 76 13.306 2.366 -15.061
506 HZ PHE 76 HZ PHE 76 13.637 3.813 -13.027
507 H ILE 77 H ILE 77 6.529 0.451 -14.962
508 HA ILE 77 HA ILE 77 4.348 1.890 -14.720
509 HB ILE 77 HB ILE 77 3.762 -0.252 -14.970
510 1HG1 ILE 77 1HG1 ILE 77 2.357 0.460 -13.005
511 2HG1 ILE 77 2HG1 ILE 77 2.550 -1.246 -13.226
512 1HG2 ILE 77 1HG2 ILE 77 5.991 -0.929 -13.085
513 2HG2 ILE 77 2HG2 ILE 77 5.773 -1.386 -14.773
514 3HG2 ILE 77 3HG2 ILE 77 4.786 -2.157 -13.515
515 1HD1 ILE 77 1HD1 ILE 77 4.645 -0.856 -11.536
516 2HD1 ILE 77 2HD1 ILE 77 3.017 -1.216 -10.979
517 3HD1 ILE 77 3HD1 ILE 77 3.588 0.447 -10.985
518 H CYS 78 H CYS 78 2.767 2.032 -12.893
519 HA CYS 78 HA CYS 78 3.710 2.620 -10.298
520 1HB CYS 78 2HB CYS 78 4.444 4.630 -12.145
521 2HB CYS 78 1HB CYS 78 3.049 5.299 -11.328
522 H THR 79 H THR 79 1.583 3.819 -12.869
523 HA THR 79 HA THR 79 -0.714 2.762 -11.537
524 HB THR 79 HB THR 79 -0.273 4.948 -10.262
525 HG1 THR 79 HG1 THR 79 -2.374 5.480 -10.268
526 1HG2 THR 79 1HG2 THR 79 -0.362 7.033 -11.303
527 2HG2 THR 79 2HG2 THR 79 -1.447 6.474 -12.576
528 3HG2 THR 79 3HG2 THR 79 0.275 6.102 -12.660
529 H ASP 80 H ASP 80 -1.262 1.771 -13.747
530 HA ASP 80 HA ASP 80 -2.910 3.447 -15.204
531 1HB ASP 80 2HB ASP 80 -3.476 1.145 -15.315
532 2HB ASP 80 1HB ASP 80 -3.376 0.962 -13.555
533 H ILE 81 H ILE 81 -2.565 5.588 -13.297
534 HA ILE 81 HA ILE 81 -5.077 6.286 -12.843
535 HB ILE 81 HB ILE 81 -3.190 7.643 -13.978
536 1HG1 ILE 81 2HG1 ILE 81 -4.845 9.283 -14.977
537 2HG1 ILE 81 1HG1 ILE 81 -6.100 8.097 -14.718
538 1HG2 ILE 81 1HG2 ILE 81 -4.565 7.444 -16.594
539 2HG2 ILE 81 2HG2 ILE 81 -3.678 5.990 -16.139
540 3HG2 ILE 81 3HG2 ILE 81 -2.842 7.541 -16.232
541 1HD1 ILE 81 1HD1 ILE 81 -6.339 9.061 -12.648
542 2HD1 ILE 81 2HD1 ILE 81 -4.776 9.870 -12.750
543 3HD1 ILE 81 3HD1 ILE 81 -4.868 8.195 -12.204
544 H ASP 82 H ASP 82 -7.107 6.426 -13.901
545 HA ASP 82 HA ASP 82 -7.160 5.410 -16.628
546 1HB ASP 82 1HB ASP 82 -7.685 3.388 -15.155
547 2HB ASP 82 2HB ASP 82 -9.084 4.255 -14.527
548 H GLU 83 H GLU 83 -10.143 5.534 -14.751
549 HA GLU 83 HA GLU 83 -10.407 8.381 -15.412
550 1HB GLU 83 1HB GLU 83 -12.230 6.783 -13.555
551 2HB GLU 83 2HB GLU 83 -12.629 8.238 -14.435
552 1HG GLU 83 1HG GLU 83 -12.046 6.704 -16.575
553 2HG GLU 83 2HG GLU 83 -12.432 5.402 -15.454
554 H1 NAG 121 H1 ASN 21 -15.115 -1.952 13.375
555 H2 NAG 121 H2 ASN 21 -14.714 -1.133 10.681
556 H3 NAG 121 H3 ASN 21 -16.593 0.801 12.092
557 H4 NAG 121 H4 ASN 21 -17.305 -0.958 9.716
558 H5 NAG 121 H5 ASN 21 -18.929 -1.468 12.026
559 1H6 NAG 121 1H6 ASN 21 -17.796 -3.856 11.600
560 2H6 NAG 121 2H6 ASN 21 -17.265 -3.077 10.110
561 1H8 NAG 121 1H8 ASN 21 -11.327 -0.715 11.079
562 2H8 NAG 121 2H8 ASN 21 -12.830 -1.659 11.065
563 3H8 NAG 121 3H8 ASN 21 -12.488 -0.516 9.752
564 HN2 NAG 121 HN2 ASN 21 -14.231 0.147 13.283
565 HO4 NAG 121 HO4 ASN 21 -18.867 0.294 9.639
566 HO3 NAG 121 HO3 ASN 21 -16.527 1.120 9.553
567 HO6 NAG 121 H6 ASN 21 -19.139 -3.665 9.521
568 H1 NAG 148 H1 ASN 48 -7.976 -1.368 -5.654
569 H2 NAG 148 H2 ASN 48 -6.873 1.322 -5.559
570 H3 NAG 148 H3 ASN 48 -8.668 2.258 -3.992
571 H4 NAG 148 H4 ASN 48 -11.025 1.473 -4.607
572 H5 NAG 148 H5 ASN 48 -10.202 -1.275 -5.081
573 1H6 NAG 148 1H6 ASN 48 -12.500 -0.098 -5.470
574 2H6 NAG 148 2H6 ASN 48 -11.961 -1.233 -6.709
575 1H8 NAG 148 1H8 ASN 48 -5.055 1.383 -4.719
576 2H8 NAG 148 2H8 ASN 48 -4.804 1.144 -2.978
577 3H8 NAG 148 3H8 ASN 48 -3.908 0.155 -4.148
578 HN2 NAG 148 HN2 ASN 48 -7.768 0.166 -3.094
579 HO4 NAG 148 HO4 ASN 48 -10.430 -0.602 -3.329
580 HO3 NAG 148 HO3 ASN 48 -9.944 2.933 -5.773
581 HO6 NAG 148 H6 ASN 48 -12.622 0.607 -7.654
Start of MODEL 8
1 1H HIS 1 1H HIS 1 6.905 -3.065 27.346
2 2H HIS 1 2H HIS 1 7.402 -4.383 28.295
3 3H HIS 1 3H HIS 1 8.436 -3.758 27.101
4 HA HIS 1 HA HIS 1 7.099 -4.472 25.382
5 1HB HIS 1 1HB HIS 1 7.432 -6.587 27.551
6 2HB HIS 1 2HB HIS 1 6.843 -6.987 25.953
7 HD2 HIS 1 HD2 HIS 1 10.023 -5.653 27.690
8 HE1 HIS 1 HE1 HIS 1 11.220 -6.972 23.782
9 HE2 HIS 1 HE2 HIS 1 12.088 -6.079 26.036
10 H MET 2 H MET 2 4.742 -6.717 25.684
11 HA MET 2 HA MET 2 3.964 -4.050 24.723
12 1HB MET 2 1HB MET 2 4.890 -4.379 22.503
13 2HB MET 2 2HB MET 2 6.176 -4.736 23.633
14 1HG MET 2 1HG MET 2 5.160 -7.244 23.400
15 2HG MET 2 2HG MET 2 4.651 -6.612 21.844
16 1HE MET 2 1HE MET 2 6.555 -8.994 22.596
17 2HE MET 2 2HE MET 2 7.474 -8.175 23.869
18 3HE MET 2 3HE MET 2 8.295 -8.722 22.396
19 H GLU 3 H GLU 3 1.651 -5.747 25.617
20 HA GLU 3 HA GLU 3 1.492 -3.392 24.326
21 1HB GLU 3 2HB GLU 3 1.166 -5.567 22.377
22 2HB GLU 3 1HB GLU 3 -0.284 -4.568 22.424
23 1HG GLU 3 1HG GLU 3 0.872 -3.252 20.939
24 2HG GLU 3 2HG GLU 3 1.625 -2.598 22.389
25 HA PRO 4 HA PRO 4 -2.889 -3.540 25.624
26 1HB PRO 4 1HB PRO 4 -3.354 -1.183 24.039
27 2HB PRO 4 2HB PRO 4 -3.249 -1.271 25.794
28 1HG PRO 4 1HG PRO 4 -1.287 -0.192 23.921
29 2HG PRO 4 2HG PRO 4 -1.247 -0.146 25.685
30 1HD PRO 4 2HD PRO 4 0.353 -1.802 23.941
31 2HD PRO 4 1HD PRO 4 0.342 -1.818 25.711
32 H VAL 5 H VAL 5 -1.722 -5.038 23.578
33 HA VAL 5 HA VAL 5 -2.547 -5.399 21.221
34 HB VAL 5 HB VAL 5 -2.143 -7.327 22.007
35 1HG1 VAL 5 1HG1 VAL 5 -3.456 -6.455 24.517
36 2HG1 VAL 5 2HG1 VAL 5 -3.543 -8.194 24.250
37 3HG1 VAL 5 3HG1 VAL 5 -1.975 -7.386 24.297
38 1HG2 VAL 5 1HG2 VAL 5 -4.890 -7.407 21.220
39 2HG2 VAL 5 2HG2 VAL 5 -3.708 -8.702 21.200
40 3HG2 VAL 5 3HG2 VAL 5 -4.726 -8.465 22.611
41 H ASP 6 H ASP 6 -3.734 -3.706 20.753
42 HA ASP 6 HA ASP 6 -5.231 -3.560 18.948
43 1HB ASP 6 2HB ASP 6 -4.386 -5.244 17.621
44 2HB ASP 6 1HB ASP 6 -3.397 -5.510 19.012
45 HA PRO 7 HA PRO 7 -7.984 -6.309 17.675
46 1HB PRO 7 1HB PRO 7 -8.588 -4.325 15.681
47 2HB PRO 7 2HB PRO 7 -9.736 -5.227 16.660
48 1HG PRO 7 1HG PRO 7 -9.023 -2.418 16.896
49 2HG PRO 7 2HG PRO 7 -10.227 -3.305 17.821
50 1HD PRO 7 1HD PRO 7 -7.593 -2.432 18.710
51 2HD PRO 7 2HD PRO 7 -8.827 -3.278 19.655
52 H CYS 8 H CYS 8 -6.831 -3.361 16.034
53 HA CYS 8 HA CYS 8 -5.121 -4.900 14.299
54 1HB CYS 8 2HB CYS 8 -6.173 -2.883 13.449
55 2HB CYS 8 1HB CYS 8 -5.442 -1.932 14.754
56 H PHE 9 H PHE 9 -4.609 -2.664 16.984
57 HA PHE 9 HA PHE 9 -2.049 -2.036 16.774
58 1HB PHE 9 1HB PHE 9 -3.734 -1.781 18.801
59 2HB PHE 9 2HB PHE 9 -2.911 -3.239 19.397
60 HD1 PHE 9 HD1 PHE 9 -1.586 -0.224 17.518
61 HD2 PHE 9 HD2 PHE 9 -1.494 -2.563 21.198
62 HE1 PHE 9 HE1 PHE 9 0.273 1.229 18.394
63 HE2 PHE 9 HE2 PHE 9 0.352 -1.095 22.081
64 HZ PHE 9 HZ PHE 9 1.249 0.785 20.672
65 H ARG 10 H ARG 10 -0.002 -2.825 17.800
66 HA ARG 10 HA ARG 10 1.592 -4.391 17.542
67 1HB ARG 10 2HB ARG 10 -0.542 -5.693 18.851
68 2HB ARG 10 1HB ARG 10 -0.073 -6.832 17.586
69 1HG ARG 10 2HG ARG 10 2.366 -5.918 18.705
70 2HG ARG 10 1HG ARG 10 1.272 -6.008 20.069
71 1HD ARG 10 1HD ARG 10 1.242 -8.395 18.223
72 2HD ARG 10 2HD ARG 10 2.687 -8.191 19.233
73 HE ARG 10 HE ARG 10 1.125 -8.163 21.183
74 1HH1 ARG 10 2HH1 ARG 10 -0.745 -8.507 18.330
75 2HH1 ARG 10 1HH1 ARG 10 -1.796 -9.674 19.063
76 1HH2 ARG 10 2HH2 ARG 10 0.681 -10.725 21.347
77 2HH2 ARG 10 1HH2 ARG 10 -0.860 -11.111 20.658
78 H ALA 11 H ALA 11 -0.763 -4.005 15.528
79 HA ALA 11 HA ALA 11 -1.251 -6.238 14.101
80 1HB ALA 11 1HB ALA 11 -2.719 -4.762 13.155
81 2HB ALA 11 2HB ALA 11 -1.651 -3.415 13.565
82 3HB ALA 11 3HB ALA 11 -1.455 -4.283 12.038
83 H ASN 12 H ASN 12 2.297 -5.516 13.672
84 HA ASN 12 HA ASN 12 1.321 -3.051 13.189
85 1HB ASN 12 1HB ASN 12 3.866 -4.068 13.284
86 2HB ASN 12 2HB ASN 12 3.781 -3.718 11.561
87 1HD2 ASN 12 1HD2 ASN 12 4.509 -1.675 11.018
88 2HD2 ASN 12 2HD2 ASN 12 5.226 -0.824 12.373
89 H CYS 13 H CYS 13 -0.640 -3.081 11.389
90 HA CYS 13 HA CYS 13 -0.001 -1.859 9.240
91 1HB CYS 13 1HB CYS 13 -0.221 -0.132 11.779
92 2HB CYS 13 2HB CYS 13 -0.700 0.282 10.128
93 H GLU 14 H GLU 14 1.945 -2.070 8.457
94 HA GLU 14 HA GLU 14 4.224 -0.718 8.612
95 1HB GLU 14 2HB GLU 14 3.260 -1.225 6.409
96 2HB GLU 14 1HB GLU 14 2.016 -0.028 6.656
97 1HG GLU 14 1HG GLU 14 3.935 0.723 5.141
98 2HG GLU 14 2HG GLU 14 3.619 1.806 6.493
99 H TYR 15 H TYR 15 1.874 1.610 7.433
100 HA TYR 15 HA TYR 15 2.245 3.484 9.555
101 1HB TYR 15 2HB TYR 15 1.080 3.582 7.138
102 2HB TYR 15 1HB TYR 15 -0.390 3.346 8.054
103 HD1 TYR 15 HD1 TYR 15 2.564 5.558 7.466
104 HD2 TYR 15 HD2 TYR 15 -1.236 5.120 9.559
105 HE1 TYR 15 HE1 TYR 15 2.582 8.015 8.007
106 HE2 TYR 15 HE2 TYR 15 -1.220 7.579 10.102
107 HH TYR 15 HH TYR 15 1.266 9.468 10.148
108 H GLN 16 H GLN 16 -0.799 3.543 9.701
109 HA GLN 16 HA GLN 16 -0.867 1.829 12.111
110 1HB GLN 16 2HB GLN 16 -1.278 4.564 11.729
111 2HB GLN 16 1HB GLN 16 -2.912 3.993 11.891
112 1HG GLN 16 1HG GLN 16 -2.281 2.809 14.032
113 2HG GLN 16 2HG GLN 16 -0.624 3.353 13.843
114 1HE2 GLN 16 2HE2 GLN 16 -0.404 4.748 15.585
115 2HE2 GLN 16 1HE2 GLN 16 -0.850 6.390 15.161
116 H CYS 17 H CYS 17 -3.494 2.447 12.575
117 HA CYS 17 HA CYS 17 -4.369 -0.034 11.199
118 1HB CYS 17 1HB CYS 17 -5.052 0.895 14.030
119 2HB CYS 17 2HB CYS 17 -5.617 -0.597 13.296
120 H GLN 18 H GLN 18 -5.979 0.816 9.366
121 HA GLN 18 HA GLN 18 -8.465 0.848 10.675
122 1HB GLN 18 2HB GLN 18 -8.601 -0.343 8.136
123 2HB GLN 18 1HB GLN 18 -8.878 1.377 8.479
124 1HG GLN 18 1HG GLN 18 -6.113 0.301 7.874
125 2HG GLN 18 2HG GLN 18 -7.224 0.670 6.571
126 1HE2 GLN 18 1HE2 GLN 18 -6.512 2.888 9.650
127 2HE2 GLN 18 2HE2 GLN 18 -7.842 3.593 8.750
128 HA PRO 19 HA PRO 19 -9.426 -3.485 10.537
129 1HB PRO 19 1HB PRO 19 -11.787 -2.484 11.898
130 2HB PRO 19 2HB PRO 19 -10.676 -3.738 12.443
131 1HG PRO 19 1HG PRO 19 -10.914 -1.084 13.501
132 2HG PRO 19 2HG PRO 19 -9.729 -2.311 13.951
133 1HD PRO 19 1HD PRO 19 -9.302 0.102 12.344
134 2HD PRO 19 2HD PRO 19 -8.094 -1.046 12.945
135 H LEU 20 H LEU 20 -9.341 -2.582 8.332
136 HA LEU 20 HA LEU 20 -11.347 -2.464 6.615
137 1HB LEU 20 1HB LEU 20 -9.539 -3.932 6.122
138 2HB LEU 20 2HB LEU 20 -9.898 -4.953 7.499
139 HG LEU 20 HG LEU 20 -11.930 -5.600 6.603
140 1HD1 LEU 20 1HD2 LEU 20 -12.619 -3.471 5.463
141 2HD1 LEU 20 2HD2 LEU 20 -11.485 -3.819 4.161
142 3HD1 LEU 20 3HD2 LEU 20 -12.877 -4.867 4.422
143 1HD2 LEU 20 1HD1 LEU 20 -9.527 -5.932 4.884
144 2HD2 LEU 20 2HD1 LEU 20 -10.557 -7.166 5.654
145 3HD2 LEU 20 3HD1 LEU 20 -11.045 -6.420 4.135
146 H ASN 21 H ASN 21 -11.492 -4.399 9.441
147 HA ASN 21 HA ASN 21 -13.174 -5.783 10.326
148 1HB ASN 21 1HB ASN 21 -14.529 -3.255 9.309
149 2HB ASN 21 2HB ASN 21 -15.513 -4.551 10.007
150 1HD2 ASN 21 HD2 ASN 21 -16.020 -2.790 11.916
151 H GLN 22 H GLN 22 -15.219 -7.220 9.817
152 HA GLN 22 HA GLN 22 -14.646 -9.266 9.003
153 1HB GLN 22 1HB GLN 22 -15.298 -8.115 6.772
154 2HB GLN 22 2HB GLN 22 -13.593 -7.838 6.513
155 1HG GLN 22 1HG GLN 22 -13.533 -10.529 7.070
156 2HG GLN 22 2HG GLN 22 -15.134 -10.399 6.349
157 1HE2 GLN 22 2HE2 GLN 22 -13.922 -11.785 4.565
158 2HE2 GLN 22 1HE2 GLN 22 -12.323 -11.213 4.130
159 H THR 23 H THR 23 -12.576 -7.951 10.731
160 HA THR 23 HA THR 23 -11.024 -6.495 8.957
161 HB THR 23 HB THR 23 -9.483 -6.039 10.759
162 HG1 THR 23 HG1 THR 23 -10.166 -7.847 12.538
163 1HG2 THR 23 1HG2 THR 23 -11.623 -5.115 11.371
164 2HG2 THR 23 2HG2 THR 23 -12.263 -6.687 11.852
165 3HG2 THR 23 3HG2 THR 23 -11.019 -5.903 12.829
166 H SER 24 H SER 24 -10.139 -7.455 7.189
167 HA SER 24 HA SER 24 -7.733 -8.869 7.506
168 1HB SER 24 2HB SER 24 -8.654 -7.631 5.401
169 2HB SER 24 1HB SER 24 -7.991 -6.169 6.134
170 HG SER 24 HG SER 24 -6.229 -6.714 5.282
171 H TYR 25 H TYR 25 -8.818 -6.314 9.047
172 HA TYR 25 HA TYR 25 -8.057 -4.054 8.965
173 1HB TYR 25 2HB TYR 25 -6.533 -3.607 11.011
174 2HB TYR 25 1HB TYR 25 -7.965 -4.563 11.294
175 HD1 TYR 25 HD1 TYR 25 -7.808 -6.850 12.123
176 HD2 TYR 25 HD2 TYR 25 -4.255 -4.748 10.722
177 HE1 TYR 25 HE1 TYR 25 -6.361 -8.716 12.999
178 HE2 TYR 25 HE2 TYR 25 -2.805 -6.608 11.600
179 HH TYR 25 HH TYR 25 -2.794 -8.692 12.538
180 H LEU 26 H LEU 26 -6.934 -2.817 7.984
181 HA LEU 26 HA LEU 26 -5.148 -4.318 6.287
182 1HB LEU 26 2HB LEU 26 -6.516 -3.543 4.519
183 2HB LEU 26 1HB LEU 26 -7.581 -3.675 5.938
184 HG LEU 26 HG LEU 26 -6.445 -1.034 5.917
185 1HD1 LEU 26 1HD1 LEU 26 -8.203 -0.720 3.829
186 2HD1 LEU 26 2HD1 LEU 26 -6.433 -0.568 3.752
187 3HD1 LEU 26 3HD1 LEU 26 -7.214 -2.107 3.329
188 1HD2 LEU 26 1HD2 LEU 26 -9.255 -2.060 5.548
189 2HD2 LEU 26 2HD2 LEU 26 -8.424 -2.004 7.102
190 3HD2 LEU 26 3HD2 LEU 26 -8.777 -0.493 6.190
191 H CYS 27 H CYS 27 -5.297 -1.595 7.837
192 HA CYS 27 HA CYS 27 -3.956 -0.099 8.643
193 1HB CYS 27 1HB CYS 27 -2.256 -2.131 7.261
194 2HB CYS 27 2HB CYS 27 -1.392 -0.888 8.197
195 H VAL 28 H VAL 28 -2.479 1.724 8.363
196 HA VAL 28 HA VAL 28 -3.716 2.822 5.951
197 HB VAL 28 HB VAL 28 -2.399 4.714 7.808
198 1HG1 VAL 28 1HG2 VAL 28 -4.358 4.881 5.879
199 2HG1 VAL 28 2HG2 VAL 28 -5.313 4.941 7.361
200 3HG1 VAL 28 3HG2 VAL 28 -4.028 6.118 7.091
201 1HG2 VAL 28 1HG1 VAL 28 -3.027 3.681 9.723
202 2HG2 VAL 28 2HG1 VAL 28 -4.600 4.369 9.357
203 3HG2 VAL 28 3HG1 VAL 28 -4.277 2.688 8.958
204 H CYS 29 H CYS 29 -2.401 4.584 4.714
205 HA CYS 29 HA CYS 29 0.377 4.573 5.566
206 1HB CYS 29 1HB CYS 29 -1.089 4.790 2.959
207 2HB CYS 29 2HB CYS 29 0.646 5.042 3.057
208 H ALA 30 H ALA 30 1.150 6.534 3.944
209 HA ALA 30 HA ALA 30 0.648 8.997 4.959
210 1HB ALA 30 1HB ALA 30 1.599 10.024 2.924
211 2HB ALA 30 2HB ALA 30 2.460 8.533 3.333
212 3HB ALA 30 3HB ALA 30 1.278 8.543 2.015
213 H GLU 31 H GLU 31 -2.295 8.366 4.685
214 HA GLU 31 HA GLU 31 -2.039 6.649 2.733
215 1HB GLU 31 1HB GLU 31 -4.097 6.198 3.535
216 2HB GLU 31 2HB GLU 31 -4.229 7.793 4.194
217 1HG GLU 31 1HG GLU 31 -6.095 7.765 2.846
218 2HG GLU 31 2HG GLU 31 -4.963 8.511 1.737
219 H GLY 32 H GLY 32 -3.688 6.783 0.349
220 1HA GLY 32 2HA GLY 32 -1.974 7.828 -1.424
221 2HA GLY 32 1HA GLY 32 -0.846 7.275 -0.147
222 H PHE 33 H PHE 33 -2.591 4.936 0.584
223 HA PHE 33 HA PHE 33 -0.768 3.199 -0.912
224 1HB PHE 33 2HB PHE 33 0.046 5.426 0.843
225 2HB PHE 33 1HB PHE 33 0.612 3.880 1.452
226 HD1 PHE 33 HD1 PHE 33 0.260 5.232 -2.099
227 HD2 PHE 33 HD2 PHE 33 2.899 3.505 0.928
228 HE1 PHE 33 HE1 PHE 33 2.185 5.382 -3.686
229 HE2 PHE 33 HE2 PHE 33 4.763 3.480 -0.734
230 HZ PHE 33 HZ PHE 33 4.446 4.510 -3.003
231 H ALA 34 H ALA 34 -1.511 1.172 -0.378
232 HA ALA 34 HA ALA 34 -2.669 0.955 2.287
233 1HB ALA 34 1HB ALA 34 -4.388 2.081 0.769
234 2HB ALA 34 2HB ALA 34 -4.582 0.540 -0.041
235 3HB ALA 34 3HB ALA 34 -4.968 0.697 1.681
236 HA PRO 35 HA PRO 35 -2.326 -3.476 1.152
237 1HB PRO 35 1HB PRO 35 -4.775 -4.207 -0.310
238 2HB PRO 35 2HB PRO 35 -4.161 -4.837 1.215
239 1HG PRO 35 1HG PRO 35 -6.361 -3.080 0.938
240 2HG PRO 35 2HG PRO 35 -5.521 -3.435 2.443
241 1HD PRO 35 2HD PRO 35 -5.439 -1.021 0.795
242 2HD PRO 35 1HD PRO 35 -4.845 -1.207 2.460
243 H ILE 36 H ILE 36 -0.712 -2.311 -0.532
244 HA ILE 36 HA ILE 36 -0.488 -3.634 -2.816
245 HB ILE 36 HB ILE 36 1.322 -3.040 -1.441
246 1HG1 ILE 36 1HG1 ILE 36 1.204 -5.654 -2.731
247 2HG1 ILE 36 2HG1 ILE 36 2.420 -4.412 -2.801
248 1HG2 ILE 36 1HG2 ILE 36 2.003 -4.458 0.524
249 2HG2 ILE 36 2HG2 ILE 36 0.530 -3.516 0.764
250 3HG2 ILE 36 3HG2 ILE 36 0.426 -5.249 0.434
251 1HD1 ILE 36 1HD1 ILE 36 2.156 -6.258 -0.385
252 2HD1 ILE 36 2HD1 ILE 36 3.105 -6.675 -1.809
253 3HD1 ILE 36 3HD1 ILE 36 3.526 -5.246 -0.848
254 HA PRO 37 HA PRO 37 -2.165 -7.923 -2.710
255 1HB PRO 37 1HB PRO 37 0.475 -8.383 -4.005
256 2HB PRO 37 2HB PRO 37 -1.115 -8.872 -4.564
257 1HG PRO 37 1HG PRO 37 0.394 -6.713 -5.593
258 2HG PRO 37 2HG PRO 37 -1.338 -6.912 -5.836
259 1HD PRO 37 1HD PRO 37 0.050 -4.947 -4.184
260 2HD PRO 37 2HD PRO 37 -1.685 -5.018 -4.541
261 H HIS 38 H HIS 38 -1.195 -9.971 -1.860
262 HA HIS 38 HA HIS 38 -1.485 -10.104 0.516
263 1HB HIS 38 1HB HIS 38 0.434 -11.217 1.338
264 2HB HIS 38 2HB HIS 38 0.113 -11.743 -0.326
265 HD1 HIS 38 HD1 HIS 38 2.999 -11.709 1.475
266 HD2 HIS 38 HD2 HIS 38 1.784 -9.309 -1.780
267 HE1 HIS 38 HE1 HIS 38 5.149 -10.799 0.403
268 H GLU 39 H GLU 39 1.426 -9.458 1.576
269 HA GLU 39 HA GLU 39 0.148 -9.332 3.734
270 1HB GLU 39 1HB GLU 39 2.177 -7.559 4.552
271 2HB GLU 39 2HB GLU 39 2.249 -9.327 4.512
272 1HG GLU 39 1HG GLU 39 3.108 -9.045 2.057
273 2HG GLU 39 2HG GLU 39 3.298 -7.350 2.444
274 HA PRO 40 HA PRO 40 -2.084 -5.387 3.477
275 1HB PRO 40 1HB PRO 40 -4.100 -6.556 5.168
276 2HB PRO 40 2HB PRO 40 -4.226 -6.244 3.441
277 1HG PRO 40 1HG PRO 40 -3.939 -8.815 4.764
278 2HG PRO 40 2HG PRO 40 -4.136 -8.506 3.043
279 1HD PRO 40 1HD PRO 40 -1.708 -9.283 4.448
280 2HD PRO 40 2HD PRO 40 -1.907 -9.019 2.708
281 H HIS 41 H HIS 41 0.178 -5.953 5.330
282 HA HIS 41 HA HIS 41 -1.126 -3.937 7.061
283 1HB HIS 41 2HB HIS 41 1.080 -3.784 8.229
284 2HB HIS 41 1HB HIS 41 0.470 -5.446 8.263
285 HD1 HIS 41 HD1 HIS 41 1.921 -7.301 6.856
286 HD2 HIS 41 HD2 HIS 41 3.173 -3.270 6.567
287 HE1 HIS 41 HE1 HIS 41 4.122 -7.299 5.523
288 H ARG 42 H ARG 42 0.295 -4.127 4.269
289 HA ARG 42 HA ARG 42 2.220 -1.923 4.589
290 1HB ARG 42 1HB ARG 42 1.634 -3.890 2.391
291 2HB ARG 42 2HB ARG 42 2.454 -2.432 1.904
292 1HG ARG 42 1HG ARG 42 4.428 -3.133 2.741
293 2HG ARG 42 2HG ARG 42 3.698 -3.376 4.328
294 1HD ARG 42 1HD ARG 42 3.052 -5.682 3.732
295 2HD ARG 42 2HD ARG 42 3.510 -5.414 2.037
296 HE ARG 42 HE ARG 42 5.255 -6.196 4.124
297 1HH1 ARG 42 1HH2 ARG 42 5.266 -5.088 0.714
298 2HH1 ARG 42 2HH2 ARG 42 6.801 -5.880 0.839
299 1HH2 ARG 42 1HH1 ARG 42 6.930 -3.903 3.927
300 2HH2 ARG 42 2HH1 ARG 42 7.974 -4.465 2.664
301 H CYS 43 H CYS 43 2.306 0.034 2.710
302 HA CYS 43 HA CYS 43 -0.188 0.539 1.733
303 1HB CYS 43 2HB CYS 43 2.542 1.454 0.742
304 2HB CYS 43 1HB CYS 43 1.008 2.175 0.644
305 H GLN 44 H GLN 44 2.639 -0.444 0.698
306 HA GLN 44 HA GLN 44 3.495 0.063 -1.469
307 1HB GLN 44 2HB GLN 44 3.211 -2.759 -0.887
308 2HB GLN 44 1HB GLN 44 3.060 -2.531 -2.617
309 1HG GLN 44 1HG GLN 44 5.321 -2.252 -2.778
310 2HG GLN 44 2HG GLN 44 5.244 -0.866 -1.690
311 1HE2 GLN 44 2HE2 GLN 44 5.172 -1.384 0.738
312 2HE2 GLN 44 1HE2 GLN 44 5.114 -3.068 1.228
313 H MET 45 H MET 45 2.929 0.929 -3.469
314 HA MET 45 HA MET 45 0.986 2.271 -2.260
315 1HB MET 45 1HB MET 45 0.798 3.695 -4.210
316 2HB MET 45 2HB MET 45 2.426 3.024 -4.270
317 1HG MET 45 1HG MET 45 0.001 2.217 -5.902
318 2HG MET 45 2HG MET 45 1.518 2.880 -6.494
319 1HE MET 45 1HE MET 45 0.005 -0.243 -7.442
320 2HE MET 45 2HE MET 45 0.722 1.278 -8.022
321 3HE MET 45 3HE MET 45 1.608 -0.245 -8.213
322 H PHE 46 H PHE 46 -1.252 2.822 -2.563
323 HA PHE 46 HA PHE 46 -2.610 0.523 -2.704
324 1HB PHE 46 1HB PHE 46 -3.723 1.888 -1.204
325 2HB PHE 46 2HB PHE 46 -2.887 3.276 -1.811
326 HD1 PHE 46 HD1 PHE 46 -3.883 4.713 -3.640
327 HD2 PHE 46 HD2 PHE 46 -6.075 1.479 -1.702
328 HE1 PHE 46 HE1 PHE 46 -6.055 5.724 -4.412
329 HE2 PHE 46 HE2 PHE 46 -8.248 2.489 -2.471
330 HZ PHE 46 HZ PHE 46 -8.239 4.613 -3.826
331 H CYS 47 H CYS 47 -1.864 0.606 -5.646
332 HA CYS 47 HA CYS 47 -1.882 3.317 -5.796
333 1HB CYS 47 2HB CYS 47 -1.229 1.299 -7.653
334 2HB CYS 47 1HB CYS 47 -2.332 2.347 -8.519
335 H ASN 48 H ASN 48 -4.427 1.115 -6.845
336 HA ASN 48 HA ASN 48 -5.616 2.753 -8.728
337 1HB ASN 48 2HB ASN 48 -7.846 1.408 -7.731
338 2HB ASN 48 1HB ASN 48 -6.748 0.764 -8.931
339 1HD2 ASN 48 HD2 ASN 48 -7.713 0.727 -5.536
340 H GLN 49 H GLN 49 -6.008 5.418 -7.004
341 HA GLN 49 HA GLN 49 -7.663 4.168 -9.100
342 1HB GLN 49 2HB GLN 49 -7.555 6.711 -9.963
343 2HB GLN 49 1HB GLN 49 -8.650 6.254 -8.682
344 1HG GLN 49 2HG GLN 49 -5.869 7.074 -7.852
345 2HG GLN 49 1HG GLN 49 -6.943 8.343 -8.429
346 1HE2 GLN 49 1HE2 GLN 49 -6.939 9.222 -6.271
347 2HE2 GLN 49 2HE2 GLN 49 -7.257 8.230 -4.859
348 H THR 50 H THR 50 -4.711 6.401 -9.021
349 HA THR 50 HA THR 50 -4.415 5.723 -11.816
350 HB THR 50 HB THR 50 -6.721 6.714 -11.773
351 HG1 THR 50 HG1 THR 50 -6.224 8.421 -13.249
352 1HG2 THR 50 1HG2 THR 50 -7.226 8.613 -10.599
353 2HG2 THR 50 2HG2 THR 50 -5.897 9.498 -11.348
354 3HG2 THR 50 3HG2 THR 50 -5.607 8.533 -9.902
355 H ALA 51 H ALA 51 -4.009 8.836 -12.393
356 HA ALA 51 HA ALA 51 -2.308 7.125 -13.488
357 1HB ALA 51 1HB ALA 51 -1.191 8.963 -14.645
358 2HB ALA 51 2HB ALA 51 -1.534 10.082 -13.323
359 3HB ALA 51 3HB ALA 51 -2.850 9.480 -14.336
360 H CYS 52 H CYS 52 -0.758 5.934 -12.776
361 HA CYS 52 HA CYS 52 0.374 6.854 -10.242
362 1HB CYS 52 2HB CYS 52 -0.492 4.286 -11.439
363 2HB CYS 52 1HB CYS 52 0.865 4.188 -10.293
364 HA PRO 53 HA PRO 53 2.278 3.395 -12.191
365 1HB PRO 53 2HB PRO 53 2.829 3.161 -14.859
366 2HB PRO 53 1HB PRO 53 1.154 3.361 -14.315
367 1HG PRO 53 2HG PRO 53 2.957 5.311 -15.629
368 2HG PRO 53 1HG PRO 53 1.188 5.241 -15.636
369 1HD PRO 53 2HD PRO 53 2.866 6.954 -14.030
370 2HD PRO 53 1HD PRO 53 1.110 6.812 -13.942
371 H ALA 54 H ALA 54 3.927 3.224 -11.271
372 HA ALA 54 HA ALA 54 6.155 2.470 -10.949
373 1HB ALA 54 1HB ALA 54 5.351 1.207 -13.558
374 2HB ALA 54 2HB ALA 54 4.332 1.024 -12.145
375 3HB ALA 54 3HB ALA 54 5.991 0.408 -12.072
376 H ASP 55 H ASP 55 7.972 2.854 -11.185
377 HA ASP 55 HA ASP 55 9.987 3.819 -11.938
378 1HB ASP 55 1HB ASP 55 10.273 1.379 -11.802
379 2HB ASP 55 2HB ASP 55 9.455 1.234 -13.354
380 H CYS 56 H CYS 56 8.796 5.445 -12.845
381 HA CYS 56 HA CYS 56 7.938 6.027 -15.224
382 1HB CYS 56 1HB CYS 56 9.873 7.990 -14.485
383 2HB CYS 56 2HB CYS 56 8.121 8.068 -14.230
384 H ASP 57 H ASP 57 8.968 7.333 -17.020
385 HA ASP 57 HA ASP 57 11.456 6.313 -17.950
386 1HB ASP 57 1HB ASP 57 9.656 7.767 -19.229
387 2HB ASP 57 2HB ASP 57 10.496 9.150 -18.533
388 HA PRO 58 HA PRO 58 13.582 7.274 -14.514
389 1HB PRO 58 2HB PRO 58 16.185 7.698 -15.759
390 2HB PRO 58 1HB PRO 58 15.614 6.270 -14.907
391 1HG PRO 58 2HG PRO 58 15.932 6.615 -17.772
392 2HG PRO 58 1HG PRO 58 15.405 5.172 -16.917
393 1HD PRO 58 2HD PRO 58 13.762 6.913 -18.524
394 2HD PRO 58 1HD PRO 58 13.229 5.538 -17.538
395 H ASN 59 H ASN 59 13.894 9.609 -17.200
396 HA ASN 59 HA ASN 59 16.046 10.809 -15.632
397 1HB ASN 59 1HB ASN 59 16.626 10.172 -17.978
398 2HB ASN 59 2HB ASN 59 15.233 11.114 -18.566
399 1HD2 ASN 59 1HD2 ASN 59 15.135 13.346 -18.026
400 2HD2 ASN 59 2HD2 ASN 59 16.591 14.267 -18.373
401 H THR 60 H THR 60 13.597 11.545 -17.602
402 HA THR 60 HA THR 60 13.654 14.395 -16.847
403 HB THR 60 HB THR 60 13.866 14.069 -19.192
404 HG1 THR 60 HG1 THR 60 12.659 15.830 -18.517
405 1HG2 THR 60 1HG2 THR 60 12.687 11.873 -19.181
406 2HG2 THR 60 2HG2 THR 60 12.097 12.942 -20.477
407 3HG2 THR 60 3HG2 THR 60 11.149 12.723 -18.984
408 H GLN 61 H GLN 61 12.170 12.290 -15.285
409 HA GLN 61 HA GLN 61 10.126 13.887 -14.330
410 1HB GLN 61 1HB GLN 61 9.345 12.919 -16.846
411 2HB GLN 61 2HB GLN 61 8.601 11.767 -15.763
412 1HG GLN 61 2HG GLN 61 7.634 13.750 -14.449
413 2HG GLN 61 1HG GLN 61 8.216 14.797 -15.737
414 1HE2 GLN 61 2HE2 GLN 61 6.994 13.852 -18.301
415 2HE2 GLN 61 1HE2 GLN 61 6.059 15.063 -17.443
416 H ALA 62 H ALA 62 10.302 12.801 -12.054
417 HA ALA 62 HA ALA 62 8.691 10.765 -11.585
418 1HB ALA 62 1HB ALA 62 7.533 12.207 -10.162
419 2HB ALA 62 2HB ALA 62 7.110 13.310 -11.471
420 3HB ALA 62 3HB ALA 62 8.703 13.402 -10.719
421 H SER 63 H SER 63 8.494 9.846 -13.776
422 HA SER 63 HA SER 63 5.893 10.727 -14.862
423 1HB SER 63 2HB SER 63 8.292 9.524 -16.063
424 2HB SER 63 1HB SER 63 6.883 8.536 -16.437
425 HG SER 63 HG SER 63 6.025 10.114 -17.499
426 H CYS 64 H CYS 64 6.412 9.158 -12.324
427 HA CYS 64 HA CYS 64 4.575 6.957 -12.827
428 1HB CYS 64 2HB CYS 64 6.141 5.186 -12.324
429 2HB CYS 64 1HB CYS 64 6.949 6.149 -13.517
430 H GLU 65 H GLU 65 5.120 5.396 -10.538
431 HA GLU 65 HA GLU 65 6.144 7.231 -8.527
432 1HB GLU 65 1HB GLU 65 3.501 6.950 -8.524
433 2HB GLU 65 2HB GLU 65 3.843 5.390 -7.817
434 1HG GLU 65 2HG GLU 65 4.309 8.136 -6.628
435 2HG GLU 65 1HG GLU 65 3.583 6.716 -5.882
436 H CYS 66 H CYS 66 4.902 4.249 -9.102
437 HA CYS 66 HA CYS 66 5.591 3.136 -6.745
438 1HB CYS 66 1HB CYS 66 4.790 1.196 -8.875
439 2HB CYS 66 2HB CYS 66 3.982 1.719 -7.406
440 HA PRO 67 HA PRO 67 5.574 0.193 -6.709
441 1HB PRO 67 2HB PRO 67 7.175 -2.173 -7.337
442 2HB PRO 67 1HB PRO 67 5.442 -1.899 -7.627
443 1HG PRO 67 2HG PRO 67 7.534 -1.921 -9.602
444 2HG PRO 67 1HG PRO 67 5.839 -1.543 -9.840
445 1HD PRO 67 2HD PRO 67 8.043 0.347 -9.877
446 2HD PRO 67 1HD PRO 67 6.327 0.665 -10.126
447 H GLU 68 H GLU 68 6.260 -1.489 -5.026
448 HA GLU 68 HA GLU 68 8.197 -1.141 -3.255
449 1HB GLU 68 2HB GLU 68 8.684 -3.709 -3.447
450 2HB GLU 68 1HB GLU 68 7.096 -3.160 -2.974
451 1HG GLU 68 2HG GLU 68 7.561 -3.524 -5.930
452 2HG GLU 68 1HG GLU 68 7.456 -4.977 -4.947
453 H GLY 69 H GLY 69 9.056 -3.339 -5.431
454 1HA GLY 69 1HA GLY 69 11.083 -1.552 -6.739
455 2HA GLY 69 2HA GLY 69 11.086 -3.319 -7.029
456 H TYR 70 H TYR 70 8.476 -0.525 -8.244
457 HA TYR 70 HA TYR 70 10.010 0.145 -10.016
458 1HB TYR 70 2HB TYR 70 10.295 1.530 -8.011
459 2HB TYR 70 1HB TYR 70 11.352 0.347 -7.271
460 HD1 TYR 70 HD1 TYR 70 11.072 2.549 -10.341
461 HD2 TYR 70 HD2 TYR 70 13.699 0.506 -7.523
462 HE1 TYR 70 HE1 TYR 70 13.065 3.691 -11.371
463 HE2 TYR 70 HE2 TYR 70 15.692 1.649 -8.549
464 HH TYR 70 HH TYR 70 16.407 2.934 -10.328
465 H ILE 71 H ILE 71 12.395 -0.093 -11.010
466 HA ILE 71 HA ILE 71 12.202 -1.617 -12.765
467 HB ILE 71 HB ILE 71 13.768 -2.751 -10.452
468 1HG1 ILE 71 1HG1 ILE 71 14.790 -1.664 -13.084
469 2HG1 ILE 71 2HG1 ILE 71 14.456 -0.645 -11.703
470 1HG2 ILE 71 1HG2 ILE 71 14.920 -4.178 -12.408
471 2HG2 ILE 71 2HG2 ILE 71 13.311 -4.075 -13.123
472 3HG2 ILE 71 3HG2 ILE 71 13.525 -4.809 -11.533
473 1HD1 ILE 71 1HD1 ILE 71 16.105 -2.989 -10.961
474 2HD1 ILE 71 2HD1 ILE 71 16.393 -1.278 -10.643
475 3HD1 ILE 71 3HD1 ILE 71 16.876 -1.982 -12.187
476 H LEU 72 H LEU 72 9.735 -2.238 -10.556
477 HA LEU 72 HA LEU 72 8.024 -2.544 -12.105
478 1HB LEU 72 1HB LEU 72 8.880 -0.363 -12.339
479 2HB LEU 72 2HB LEU 72 10.288 -0.878 -13.205
480 HG LEU 72 HG LEU 72 8.214 -1.713 -14.888
481 1HD1 LEU 72 1HD1 LEU 72 6.874 0.534 -14.920
482 2HD1 LEU 72 2HD1 LEU 72 7.504 0.743 -13.295
483 3HD1 LEU 72 3HD1 LEU 72 6.473 -0.661 -13.666
484 1HD2 LEU 72 1HD2 LEU 72 10.343 0.080 -15.174
485 2HD2 LEU 72 2HD2 LEU 72 8.940 1.132 -15.275
486 3HD2 LEU 72 3HD2 LEU 72 9.082 -0.199 -16.404
487 H ASP 73 H ASP 73 7.196 -3.357 -14.009
488 HA ASP 73 HA ASP 73 8.407 -5.079 -15.739
489 1HB ASP 73 2HB ASP 73 9.500 -5.926 -13.493
490 2HB ASP 73 1HB ASP 73 7.919 -6.620 -13.150
491 H ASP 74 H ASP 74 6.552 -5.568 -13.181
492 HA ASP 74 HA ASP 74 4.694 -7.253 -14.228
493 1HB ASP 74 2HB ASP 74 5.067 -6.456 -11.685
494 2HB ASP 74 1HB ASP 74 3.547 -5.614 -11.972
495 H GLY 75 H GLY 75 4.656 -4.680 -15.858
496 1HA GLY 75 2HA GLY 75 2.022 -3.514 -15.478
497 2HA GLY 75 1HA GLY 75 3.269 -2.806 -14.438
498 H PHE 76 H PHE 76 4.750 -1.973 -15.179
499 HA PHE 76 HA PHE 76 5.292 0.258 -16.094
500 1HB PHE 76 2HB PHE 76 2.802 -0.231 -17.811
501 2HB PHE 76 1HB PHE 76 3.825 1.195 -17.844
502 HD1 PHE 76 HD1 PHE 76 6.584 -0.026 -17.754
503 HD2 PHE 76 HD2 PHE 76 3.012 -1.179 -19.973
504 HE1 PHE 76 HE1 PHE 76 8.027 -1.090 -19.521
505 HE2 PHE 76 HE2 PHE 76 4.452 -2.242 -21.743
506 HZ PHE 76 HZ PHE 76 6.961 -2.197 -21.517
507 H ILE 77 H ILE 77 4.391 -0.644 -13.863
508 HA ILE 77 HA ILE 77 1.905 -1.397 -14.093
509 HB ILE 77 HB ILE 77 2.739 -2.670 -12.529
510 1HG1 ILE 77 2HG1 ILE 77 1.716 -0.556 -10.676
511 2HG1 ILE 77 1HG1 ILE 77 0.813 -1.937 -11.307
512 1HG2 ILE 77 1HG2 ILE 77 4.453 -2.247 -11.063
513 2HG2 ILE 77 2HG2 ILE 77 4.116 -0.525 -10.946
514 3HG2 ILE 77 3HG2 ILE 77 4.884 -1.206 -12.406
515 1HD1 ILE 77 1HD1 ILE 77 3.074 -1.928 -9.260
516 2HD1 ILE 77 2HD1 ILE 77 2.689 -3.398 -10.155
517 3HD1 ILE 77 3HD1 ILE 77 1.473 -2.653 -9.115
518 H CYS 78 H CYS 78 0.013 -0.867 -12.571
519 HA CYS 78 HA CYS 78 -0.178 -0.016 -10.395
520 1HB CYS 78 2HB CYS 78 0.606 2.660 -11.524
521 2HB CYS 78 1HB CYS 78 0.415 2.310 -9.829
522 H THR 79 H THR 79 -2.777 -0.276 -11.663
523 HA THR 79 HA THR 79 -1.858 1.011 -13.958
524 HB THR 79 HB THR 79 -3.889 -0.809 -13.327
525 HG1 THR 79 HG1 THR 79 -3.976 -0.054 -15.864
526 1HG2 THR 79 1HG2 THR 79 -5.153 1.619 -14.693
527 2HG2 THR 79 2HG2 THR 79 -5.646 0.905 -13.158
528 3HG2 THR 79 3HG2 THR 79 -5.868 0.007 -14.660
529 H ASP 80 H ASP 80 -1.602 3.599 -12.943
530 HA ASP 80 HA ASP 80 -2.904 5.088 -14.586
531 1HB ASP 80 1HB ASP 80 -0.362 4.730 -14.444
532 2HB ASP 80 2HB ASP 80 -0.555 3.648 -15.840
533 H ILE 81 H ILE 81 -2.732 4.550 -17.550
534 HA ILE 81 HA ILE 81 -4.862 5.573 -16.366
535 HB ILE 81 HB ILE 81 -5.361 4.486 -19.138
536 1HG1 ILE 81 2HG1 ILE 81 -2.973 5.084 -19.126
537 2HG1 ILE 81 1HG1 ILE 81 -3.905 6.167 -20.133
538 1HG2 ILE 81 1HG2 ILE 81 -7.059 6.016 -18.162
539 2HG2 ILE 81 2HG2 ILE 81 -6.262 6.751 -19.547
540 3HG2 ILE 81 3HG2 ILE 81 -5.815 7.244 -17.914
541 1HD1 ILE 81 1HD1 ILE 81 -3.662 7.990 -18.653
542 2HD1 ILE 81 2HD1 ILE 81 -2.134 7.152 -18.388
543 3HD1 ILE 81 3HD1 ILE 81 -3.460 6.957 -17.242
544 H ASP 82 H ASP 82 -7.278 5.007 -16.080
545 HA ASP 82 HA ASP 82 -7.970 2.482 -17.316
546 1HB ASP 82 1HB ASP 82 -10.341 3.675 -17.409
547 2HB ASP 82 2HB ASP 82 -9.680 3.225 -15.844
548 H GLU 83 H GLU 83 -9.487 5.479 -18.390
549 HA GLU 83 HA GLU 83 -8.553 4.708 -21.097
550 1HB GLU 83 1HB GLU 83 -11.190 4.748 -20.116
551 2HB GLU 83 2HB GLU 83 -11.080 6.274 -20.960
552 1HG GLU 83 1HG GLU 83 -11.587 5.055 -22.838
553 2HG GLU 83 2HG GLU 83 -9.902 4.544 -22.801
554 H1 NAG 121 H1 ASN 21 -13.564 -1.195 11.452
555 H2 NAG 121 H2 ASN 21 -15.361 -1.240 9.534
556 H3 NAG 121 H3 ASN 21 -16.769 0.984 10.862
557 H4 NAG 121 H4 ASN 21 -17.443 -1.839 11.777
558 H5 NAG 121 H5 ASN 21 -16.608 0.223 13.761
559 1H6 NAG 121 1H6 ASN 21 -15.389 -2.102 14.493
560 2H6 NAG 121 2H6 ASN 21 -16.699 -2.759 13.511
561 1H8 NAG 121 1H8 ASN 21 -13.755 -1.450 8.376
562 2H8 NAG 121 2H8 ASN 21 -14.036 -0.003 7.385
563 3H8 NAG 121 3H8 ASN 21 -12.378 -0.542 7.734
564 HN2 NAG 121 HN2 ASN 21 -14.956 1.531 10.029
565 HO4 NAG 121 HO4 ASN 21 -19.106 -0.400 11.602
566 HO3 NAG 121 HO3 ASN 21 -18.250 -1.012 9.963
567 HO6 NAG 121 H6 ASN 21 -18.076 -2.118 14.895
568 H1 NAG 148 H1 ASN 48 -6.574 -2.006 -5.609
569 H2 NAG 148 H2 ASN 48 -6.824 -0.145 -3.467
570 H3 NAG 148 H3 ASN 48 -8.142 -1.528 -1.815
571 H4 NAG 148 H4 ASN 48 -9.978 -2.967 -2.985
572 H5 NAG 148 H5 ASN 48 -7.940 -3.771 -4.976
573 1H6 NAG 148 1H6 ASN 48 -10.318 -3.380 -6.324
574 2H6 NAG 148 2H6 ASN 48 -10.908 -3.676 -4.688
575 1H8 NAG 148 1H8 ASN 48 -5.086 -1.021 -1.165
576 2H8 NAG 148 2H8 ASN 48 -3.397 -0.963 -1.681
577 3H8 NAG 148 3H8 ASN 48 -4.514 0.326 -2.153
578 HN2 NAG 148 HN2 ASN 48 -6.202 -2.949 -2.929
579 HO4 NAG 148 HO4 ASN 48 -8.684 -4.020 -1.758
580 HO3 NAG 148 HO3 ASN 48 -10.159 -1.007 -3.330
581 HO6 NAG 148 H6 ASN 48 -9.841 -5.343 -6.466
Start of MODEL 9
1 1H HIS 1 1H HIS 1 -0.396 -4.897 26.641
2 2H HIS 1 2H HIS 1 -0.774 -3.419 27.386
3 3H HIS 1 3H HIS 1 -0.236 -3.445 25.775
4 HA HIS 1 HA HIS 1 1.297 -4.261 28.139
5 1HB HIS 1 1HB HIS 1 2.034 -4.066 25.185
6 2HB HIS 1 2HB HIS 1 3.236 -4.159 26.453
7 HD2 HIS 1 HD2 HIS 1 0.463 -6.272 27.582
8 HE1 HIS 1 HE1 HIS 1 2.887 -8.997 25.315
9 HE2 HIS 1 HE2 HIS 1 0.953 -8.844 27.007
10 H MET 2 H MET 2 2.019 -2.209 25.350
11 HA MET 2 HA MET 2 2.441 -0.029 27.313
12 1HB MET 2 1HB MET 2 4.279 -0.585 24.945
13 2HB MET 2 2HB MET 2 4.615 0.453 26.314
14 1HG MET 2 1HG MET 2 4.297 -1.808 27.715
15 2HG MET 2 2HG MET 2 4.649 -2.571 26.175
16 1HE MET 2 1HE MET 2 8.109 -1.803 25.247
17 2HE MET 2 2HE MET 2 6.444 -2.116 24.728
18 3HE MET 2 3HE MET 2 7.283 -3.282 25.765
19 H GLU 3 H GLU 3 0.103 -0.199 25.469
20 HA GLU 3 HA GLU 3 1.209 1.217 23.112
21 1HB GLU 3 2HB GLU 3 -0.688 -1.073 22.642
22 2HB GLU 3 1HB GLU 3 0.616 -0.496 21.617
23 1HG GLU 3 1HG GLU 3 0.948 -2.126 24.176
24 2HG GLU 3 2HG GLU 3 1.196 -2.705 22.537
25 HA PRO 4 HA PRO 4 -2.820 3.153 22.670
26 1HB PRO 4 1HB PRO 4 -2.762 3.076 19.814
27 2HB PRO 4 2HB PRO 4 -2.272 4.428 20.828
28 1HG PRO 4 1HG PRO 4 -0.586 2.549 19.331
29 2HG PRO 4 2HG PRO 4 -0.113 4.060 20.121
30 1HD PRO 4 1HD PRO 4 0.431 1.388 21.017
31 2HD PRO 4 2HD PRO 4 0.773 2.886 21.902
32 H VAL 5 H VAL 5 -2.787 0.429 23.132
33 HA VAL 5 HA VAL 5 -2.487 -0.960 20.819
34 HB VAL 5 HB VAL 5 -2.423 -1.604 23.451
35 1HG1 VAL 5 1HG1 VAL 5 -4.587 -3.532 22.717
36 2HG1 VAL 5 2HG1 VAL 5 -4.116 -2.900 24.295
37 3HG1 VAL 5 3HG1 VAL 5 -5.075 -1.907 23.199
38 1HG2 VAL 5 1HG2 VAL 5 -1.565 -2.832 21.181
39 2HG2 VAL 5 2HG2 VAL 5 -1.398 -3.545 22.787
40 3HG2 VAL 5 3HG2 VAL 5 -2.736 -4.027 21.745
41 H ASP 6 H ASP 6 -3.980 -3.060 20.572
42 HA ASP 6 HA ASP 6 -5.184 -2.004 18.492
43 1HB ASP 6 2HB ASP 6 -5.429 -4.208 17.741
44 2HB ASP 6 1HB ASP 6 -4.564 -4.564 19.197
45 HA PRO 7 HA PRO 7 -8.278 -3.602 17.573
46 1HB PRO 7 1HB PRO 7 -8.742 -1.763 15.431
47 2HB PRO 7 2HB PRO 7 -9.962 -2.456 16.491
48 1HG PRO 7 1HG PRO 7 -8.974 0.286 16.448
49 2HG PRO 7 2HG PRO 7 -10.277 -0.378 17.426
50 1HD PRO 7 1HD PRO 7 -7.573 0.306 18.286
51 2HD PRO 7 2HD PRO 7 -8.904 -0.306 19.283
52 H CYS 8 H CYS 8 -6.400 -0.780 16.568
53 HA CYS 8 HA CYS 8 -4.883 -2.410 14.669
54 1HB CYS 8 2HB CYS 8 -5.630 -0.479 13.667
55 2HB CYS 8 1HB CYS 8 -5.440 0.508 15.125
56 H PHE 9 H PHE 9 -4.488 -3.154 16.602
57 HA PHE 9 HA PHE 9 -3.211 -3.180 18.804
58 1HB PHE 9 2HB PHE 9 -2.934 -5.098 17.309
59 2HB PHE 9 1HB PHE 9 -1.609 -4.263 16.498
60 HD1 PHE 9 HD1 PHE 9 0.575 -4.985 17.195
61 HD2 PHE 9 HD2 PHE 9 -2.712 -5.078 20.054
62 HE1 PHE 9 HE1 PHE 9 2.098 -6.030 18.906
63 HE2 PHE 9 HE2 PHE 9 -1.191 -6.115 21.774
64 HZ PHE 9 HZ PHE 9 1.217 -6.587 21.200
65 H ARG 10 H ARG 10 -0.147 -3.162 18.313
66 HA ARG 10 HA ARG 10 0.003 -0.311 17.654
67 1HB ARG 10 2HB ARG 10 1.576 -1.981 19.220
68 2HB ARG 10 1HB ARG 10 2.638 -1.479 17.916
69 1HG ARG 10 1HG ARG 10 0.846 0.650 19.109
70 2HG ARG 10 2HG ARG 10 1.931 -0.063 20.191
71 1HD ARG 10 1HD ARG 10 3.733 0.434 18.163
72 2HD ARG 10 2HD ARG 10 2.561 1.731 17.859
73 HE ARG 10 HE ARG 10 3.237 1.650 20.628
74 1HH1 ARG 10 1HH1 ARG 10 3.709 4.625 19.445
75 2HH1 ARG 10 2HH1 ARG 10 4.083 4.045 17.857
76 1HH2 ARG 10 1HH2 ARG 10 6.190 1.805 19.011
77 2HH2 ARG 10 2HH2 ARG 10 6.217 2.996 20.269
78 H ALA 11 H ALA 11 -0.583 -2.694 15.876
79 HA ALA 11 HA ALA 11 0.143 -3.169 13.549
80 1HB ALA 11 1HB ALA 11 -2.087 -1.648 14.299
81 2HB ALA 11 2HB ALA 11 -1.346 -0.636 13.058
82 3HB ALA 11 3HB ALA 11 -1.824 -2.291 12.680
83 H ASN 12 H ASN 12 2.238 -2.897 12.896
84 HA ASN 12 HA ASN 12 2.344 -0.309 11.459
85 1HB ASN 12 1HB ASN 12 4.438 -1.623 12.771
86 2HB ASN 12 2HB ASN 12 4.654 -2.199 11.121
87 1HD2 ASN 12 1HD2 ASN 12 6.834 -0.390 10.924
88 2HD2 ASN 12 2HD2 ASN 12 6.502 0.323 12.491
89 H CYS 13 H CYS 13 0.308 -2.167 10.186
90 HA CYS 13 HA CYS 13 0.536 -1.217 7.875
91 1HB CYS 13 1HB CYS 13 0.040 0.775 10.161
92 2HB CYS 13 2HB CYS 13 -0.484 0.991 8.487
93 H GLU 14 H GLU 14 2.411 -1.143 6.912
94 HA GLU 14 HA GLU 14 4.511 0.582 7.131
95 1HB GLU 14 1HB GLU 14 4.357 -0.600 5.071
96 2HB GLU 14 2HB GLU 14 2.748 -0.003 4.751
97 1HG GLU 14 1HG GLU 14 3.520 1.993 3.833
98 2HG GLU 14 2HG GLU 14 4.878 2.101 4.947
99 H TYR 15 H TYR 15 1.886 1.869 5.055
100 HA TYR 15 HA TYR 15 1.723 4.321 6.474
101 1HB TYR 15 2HB TYR 15 0.610 3.482 4.190
102 2HB TYR 15 1HB TYR 15 -0.750 3.049 5.212
103 HD1 TYR 15 HD1 TYR 15 1.663 5.992 5.393
104 HD2 TYR 15 HD2 TYR 15 -2.438 4.658 4.735
105 HE1 TYR 15 HE1 TYR 15 0.908 8.383 5.242
106 HE2 TYR 15 HE2 TYR 15 -3.195 7.046 4.588
107 HH TYR 15 HH TYR 15 -2.465 9.287 5.237
108 H GLN 16 H GLN 16 -1.238 3.732 6.735
109 HA GLN 16 HA GLN 16 -0.932 2.730 9.539
110 1HB GLN 16 1HB GLN 16 -1.762 5.246 8.868
111 2HB GLN 16 2HB GLN 16 -3.322 4.446 9.021
112 1HG GLN 16 1HG GLN 16 -2.205 3.513 11.293
113 2HG GLN 16 2HG GLN 16 -1.211 4.955 11.130
114 1HE2 GLN 16 2HE2 GLN 16 -3.902 6.181 9.636
115 2HE2 GLN 16 1HE2 GLN 16 -3.646 7.315 10.949
116 H CYS 17 H CYS 17 -3.642 2.996 10.020
117 HA CYS 17 HA CYS 17 -4.137 0.156 9.340
118 1HB CYS 17 1HB CYS 17 -4.673 1.851 11.765
119 2HB CYS 17 2HB CYS 17 -5.703 0.454 11.524
120 H GLN 18 H GLN 18 -6.015 -0.394 7.991
121 HA GLN 18 HA GLN 18 -8.399 0.710 9.294
122 1HB GLN 18 2HB GLN 18 -8.164 -0.645 6.984
123 2HB GLN 18 1HB GLN 18 -8.332 -2.038 8.061
124 1HG GLN 18 1HG GLN 18 -10.551 -1.358 7.198
125 2HG GLN 18 2HG GLN 18 -10.474 -1.092 8.937
126 1HE2 GLN 18 1HE2 GLN 18 -9.007 0.846 6.291
127 2HE2 GLN 18 2HE2 GLN 18 -9.415 2.355 7.082
128 HA PRO 19 HA PRO 19 -8.796 -2.903 11.952
129 1HB PRO 19 1HB PRO 19 -11.322 -1.821 12.823
130 2HB PRO 19 2HB PRO 19 -9.893 -2.109 13.807
131 1HG PRO 19 1HG PRO 19 -10.949 0.441 12.978
132 2HG PRO 19 2HG PRO 19 -9.481 0.142 13.908
133 1HD PRO 19 1HD PRO 19 -9.713 0.898 11.071
134 2HD PRO 19 2HD PRO 19 -8.256 0.820 12.074
135 H LEU 20 H LEU 20 -9.571 -3.813 9.277
136 HA LEU 20 HA LEU 20 -9.678 -5.869 10.295
137 1HB LEU 20 1HB LEU 20 -9.425 -5.700 12.543
138 2HB LEU 20 2HB LEU 20 -10.202 -4.155 12.596
139 HG LEU 20 HG LEU 20 -11.767 -6.680 12.371
140 1HD1 LEU 20 1HD1 LEU 20 -11.890 -5.781 15.072
141 2HD1 LEU 20 2HD1 LEU 20 -11.177 -7.279 14.473
142 3HD1 LEU 20 3HD1 LEU 20 -10.180 -5.832 14.644
143 1HD2 LEU 20 1HD2 LEU 20 -12.451 -3.882 12.472
144 2HD2 LEU 20 2HD2 LEU 20 -13.535 -5.265 12.319
145 3HD2 LEU 20 3HD2 LEU 20 -13.094 -4.661 13.917
146 H ASN 21 H ASN 21 -12.198 -4.040 10.733
147 HA ASN 21 HA ASN 21 -14.422 -4.028 9.375
148 1HB ASN 21 1HB ASN 21 -12.312 -3.026 8.264
149 2HB ASN 21 2HB ASN 21 -12.214 -4.564 7.375
150 1HD2 ASN 21 HD2 ASN 21 -12.409 -2.846 5.633
151 H GLN 22 H GLN 22 -13.858 -5.669 6.623
152 HA GLN 22 HA GLN 22 -14.317 -8.343 7.438
153 1HB GLN 22 1HB GLN 22 -13.699 -7.032 5.033
154 2HB GLN 22 2HB GLN 22 -12.269 -7.999 5.309
155 1HG GLN 22 1HG GLN 22 -13.829 -9.336 3.982
156 2HG GLN 22 2HG GLN 22 -13.766 -10.042 5.594
157 1HE2 GLN 22 2HE2 GLN 22 -15.938 -10.899 4.647
158 2HE2 GLN 22 1HE2 GLN 22 -17.052 -10.214 5.816
159 H THR 23 H THR 23 -11.444 -6.237 7.762
160 HA THR 23 HA THR 23 -9.987 -8.365 6.540
161 HB THR 23 HB THR 23 -8.538 -6.123 7.955
162 HG1 THR 23 HG1 THR 23 -10.071 -5.792 5.641
163 1HG2 THR 23 1HG2 THR 23 -8.036 -7.874 5.626
164 2HG2 THR 23 2HG2 THR 23 -7.766 -6.173 5.247
165 3HG2 THR 23 3HG2 THR 23 -6.887 -6.932 6.576
166 H SER 24 H SER 24 -10.587 -7.602 9.580
167 HA SER 24 HA SER 24 -9.588 -7.407 11.553
168 1HB SER 24 1HB SER 24 -8.726 -9.330 12.639
169 2HB SER 24 2HB SER 24 -9.946 -9.874 11.494
170 HG SER 24 HG SER 24 -8.501 -11.007 10.605
171 H TYR 25 H TYR 25 -7.807 -6.675 12.478
172 HA TYR 25 HA TYR 25 -8.060 -4.788 10.615
173 1HB TYR 25 2HB TYR 25 -6.815 -3.183 12.136
174 2HB TYR 25 1HB TYR 25 -7.787 -4.316 13.069
175 HD1 TYR 25 HD1 TYR 25 -6.749 -6.243 14.290
176 HD2 TYR 25 HD2 TYR 25 -4.342 -3.308 12.141
177 HE1 TYR 25 HE1 TYR 25 -4.694 -7.043 15.502
178 HE2 TYR 25 HE2 TYR 25 -2.285 -4.112 13.350
179 HH TYR 25 HH TYR 25 -1.588 -6.405 14.547
180 H LEU 26 H LEU 26 -7.068 -3.509 9.485
181 HA LEU 26 HA LEU 26 -4.992 -4.953 8.028
182 1HB LEU 26 2HB LEU 26 -6.516 -4.985 6.359
183 2HB LEU 26 1HB LEU 26 -7.655 -4.394 7.570
184 HG LEU 26 HG LEU 26 -6.746 -2.034 6.853
185 1HD1 LEU 26 1HD2 LEU 26 -6.627 -2.895 4.066
186 2HD1 LEU 26 2HD2 LEU 26 -5.476 -1.910 4.969
187 3HD1 LEU 26 3HD2 LEU 26 -5.341 -3.667 4.994
188 1HD2 LEU 26 1HD1 LEU 26 -9.101 -3.106 6.568
189 2HD2 LEU 26 2HD1 LEU 26 -8.688 -1.800 5.452
190 3HD2 LEU 26 3HD1 LEU 26 -8.603 -3.475 4.921
191 H CYS 27 H CYS 27 -4.158 -3.357 6.043
192 HA CYS 27 HA CYS 27 -3.409 -0.863 7.447
193 1HB CYS 27 1HB CYS 27 -1.448 -2.834 6.254
194 2HB CYS 27 2HB CYS 27 -1.018 -1.156 6.628
195 H VAL 28 H VAL 28 -2.725 0.907 6.099
196 HA VAL 28 HA VAL 28 -5.235 0.730 4.731
197 HB VAL 28 HB VAL 28 -3.392 3.042 5.374
198 1HG1 VAL 28 1HG2 VAL 28 -4.760 4.174 3.927
199 2HG1 VAL 28 2HG2 VAL 28 -6.066 2.999 4.082
200 3HG1 VAL 28 3HG2 VAL 28 -5.856 4.251 5.314
201 1HG2 VAL 28 1HG1 VAL 28 -4.314 3.285 7.477
202 2HG2 VAL 28 2HG1 VAL 28 -5.889 2.665 7.004
203 3HG2 VAL 28 3HG1 VAL 28 -4.563 1.536 7.251
204 H CYS 29 H CYS 29 -2.262 0.793 3.611
205 HA CYS 29 HA CYS 29 -1.586 3.247 3.017
206 1HB CYS 29 1HB CYS 29 -0.957 0.712 1.537
207 2HB CYS 29 2HB CYS 29 -0.040 2.143 1.093
208 H ALA 30 H ALA 30 -0.760 3.743 1.084
209 HA ALA 30 HA ALA 30 -2.725 5.575 0.669
210 1HB ALA 30 1HB ALA 30 -0.022 5.364 -0.647
211 2HB ALA 30 2HB ALA 30 -1.119 6.600 -1.264
212 3HB ALA 30 3HB ALA 30 -0.645 6.609 0.435
213 H GLU 31 H GLU 31 -4.698 4.850 -0.408
214 HA GLU 31 HA GLU 31 -4.475 2.392 -1.280
215 1HB GLU 31 2HB GLU 31 -6.546 4.030 -0.900
216 2HB GLU 31 1HB GLU 31 -6.576 4.059 -2.646
217 1HG GLU 31 1HG GLU 31 -6.385 1.368 -2.289
218 2HG GLU 31 2HG GLU 31 -7.147 1.787 -0.755
219 H GLY 32 H GLY 32 -4.987 1.297 -3.396
220 1HA GLY 32 1HA GLY 32 -3.335 0.388 -4.678
221 2HA GLY 32 2HA GLY 32 -3.446 1.915 -5.613
222 H PHE 33 H PHE 33 -2.384 1.870 -2.174
223 HA PHE 33 HA PHE 33 -0.459 -0.025 -3.297
224 1HB PHE 33 2HB PHE 33 0.179 1.292 -0.689
225 2HB PHE 33 1HB PHE 33 1.167 0.250 -1.758
226 HD1 PHE 33 HD1 PHE 33 2.918 1.248 -2.847
227 HD2 PHE 33 HD2 PHE 33 -0.655 3.579 -1.990
228 HE1 PHE 33 HE1 PHE 33 4.079 3.321 -3.678
229 HE2 PHE 33 HE2 PHE 33 0.464 5.644 -2.920
230 HZ PHE 33 HZ PHE 33 2.839 5.507 -3.760
231 H ALA 34 H ALA 34 -1.559 -1.875 -2.912
232 HA ALA 34 HA ALA 34 -2.609 -2.250 -0.231
233 1HB ALA 34 1HB ALA 34 -4.587 -1.153 -0.529
234 2HB ALA 34 2HB ALA 34 -4.360 -1.058 -2.278
235 3HB ALA 34 3HB ALA 34 -5.061 -2.511 -1.547
236 HA PRO 35 HA PRO 35 -0.466 -3.923 -0.389
237 1HB PRO 35 1HB PRO 35 -0.411 -6.744 0.354
238 2HB PRO 35 2HB PRO 35 -0.217 -5.352 1.401
239 1HG PRO 35 1HG PRO 35 -2.529 -7.084 1.161
240 2HG PRO 35 2HG PRO 35 -2.326 -5.713 2.244
241 1HD PRO 35 1HD PRO 35 -4.003 -5.829 -0.118
242 2HD PRO 35 2HD PRO 35 -3.727 -4.433 0.931
243 H ILE 36 H ILE 36 1.259 -4.337 -1.730
244 HA ILE 36 HA ILE 36 1.820 -6.138 -3.589
245 HB ILE 36 HB ILE 36 3.467 -4.919 -2.380
246 1HG1 ILE 36 1HG1 ILE 36 3.971 -7.543 -3.174
247 2HG1 ILE 36 2HG1 ILE 36 5.074 -6.216 -2.999
248 1HG2 ILE 36 1HG2 ILE 36 4.211 -5.537 -0.074
249 2HG2 ILE 36 2HG2 ILE 36 2.575 -4.875 -0.182
250 3HG2 ILE 36 3HG2 ILE 36 2.811 -6.599 0.045
251 1HD1 ILE 36 1HD1 ILE 36 5.458 -8.474 -1.667
252 2HD1 ILE 36 2HD1 ILE 36 5.819 -6.918 -0.897
253 3HD1 ILE 36 3HD1 ILE 36 4.321 -7.766 -0.525
254 HA PRO 37 HA PRO 37 1.611 -10.619 -2.090
255 1HB PRO 37 2HB PRO 37 4.516 -10.042 -2.536
256 2HB PRO 37 1HB PRO 37 3.580 -11.448 -3.019
257 1HG PRO 37 1HG PRO 37 4.267 -9.262 -4.710
258 2HG PRO 37 2HG PRO 37 3.068 -10.496 -5.077
259 1HD PRO 37 1HD PRO 37 2.552 -7.709 -4.551
260 2HD PRO 37 2HD PRO 37 1.342 -8.983 -4.768
261 H HIS 38 H HIS 38 4.506 -10.765 -0.711
262 HA HIS 38 HA HIS 38 2.979 -11.904 1.135
263 1HB HIS 38 1HB HIS 38 4.824 -11.554 2.863
264 2HB HIS 38 2HB HIS 38 5.242 -12.382 1.350
265 HD1 HIS 38 HD1 HIS 38 7.871 -11.541 1.874
266 HD2 HIS 38 HD2 HIS 38 4.931 -8.591 1.172
267 HE1 HIS 38 HE1 HIS 38 9.145 -9.396 1.271
268 H GLU 39 H GLU 39 4.478 -9.756 2.953
269 HA GLU 39 HA GLU 39 2.818 -10.419 4.844
270 1HB GLU 39 2HB GLU 39 3.802 -7.540 4.876
271 2HB GLU 39 1HB GLU 39 3.365 -8.487 6.309
272 1HG GLU 39 1HG GLU 39 5.529 -9.442 4.412
273 2HG GLU 39 2HG GLU 39 5.901 -8.313 5.711
274 HA PRO 40 HA PRO 40 -1.139 -8.272 4.400
275 1HB PRO 40 1HB PRO 40 -1.933 -9.200 7.011
276 2HB PRO 40 2HB PRO 40 -2.452 -9.845 5.459
277 1HG PRO 40 1HG PRO 40 -0.620 -11.054 7.370
278 2HG PRO 40 2HG PRO 40 -1.207 -11.738 5.859
279 1HD PRO 40 1HD PRO 40 1.436 -10.643 6.403
280 2HD PRO 40 2HD PRO 40 0.855 -11.353 4.889
281 H HIS 41 H HIS 41 1.252 -6.731 5.413
282 HA HIS 41 HA HIS 41 -1.138 -5.071 5.913
283 1HB HIS 41 1HB HIS 41 0.525 -3.179 6.539
284 2HB HIS 41 2HB HIS 41 0.409 -4.539 7.658
285 HD1 HIS 41 HD1 HIS 41 2.396 -6.661 6.831
286 HD2 HIS 41 HD2 HIS 41 3.011 -2.526 6.180
287 HE1 HIS 41 HE1 HIS 41 4.939 -6.332 6.624
288 H ARG 42 H ARG 42 1.146 -5.862 3.861
289 HA ARG 42 HA ARG 42 2.378 -3.425 3.792
290 1HB ARG 42 1HB ARG 42 2.676 -5.679 1.815
291 2HB ARG 42 2HB ARG 42 3.464 -4.162 1.440
292 1HG ARG 42 2HG ARG 42 4.989 -4.299 3.125
293 2HG ARG 42 1HG ARG 42 3.846 -5.088 4.221
294 1HD ARG 42 2HD ARG 42 5.312 -6.913 3.735
295 2HD ARG 42 1HD ARG 42 4.178 -7.113 2.387
296 HE ARG 42 HE ARG 42 5.804 -6.262 0.933
297 1HH1 ARG 42 1HH2 ARG 42 7.405 -7.703 3.436
298 2HH1 ARG 42 2HH2 ARG 42 8.398 -6.392 3.980
299 1HH2 ARG 42 2HH1 ARG 42 7.451 -4.207 1.446
300 2HH2 ARG 42 1HH1 ARG 42 8.898 -4.927 2.069
301 H CYS 43 H CYS 43 2.639 -1.685 2.360
302 HA CYS 43 HA CYS 43 1.183 -1.902 -0.158
303 1HB CYS 43 2HB CYS 43 2.071 0.661 -0.099
304 2HB CYS 43 1HB CYS 43 0.658 0.006 0.716
305 H GLN 44 H GLN 44 2.185 -2.461 -1.970
306 HA GLN 44 HA GLN 44 4.613 -1.038 -2.618
307 1HB GLN 44 2HB GLN 44 4.841 -3.714 -1.586
308 2HB GLN 44 1HB GLN 44 5.142 -3.821 -3.308
309 1HG GLN 44 1HG GLN 44 6.677 -1.617 -2.690
310 2HG GLN 44 2HG GLN 44 6.787 -2.519 -1.180
311 1HE2 GLN 44 1HE2 GLN 44 7.555 -4.999 -1.449
312 2HE2 GLN 44 2HE2 GLN 44 7.314 -5.564 -3.091
313 H MET 45 H MET 45 3.878 -0.327 -4.883
314 HA MET 45 HA MET 45 1.545 0.239 -4.428
315 1HB MET 45 1HB MET 45 1.566 -1.614 -6.857
316 2HB MET 45 2HB MET 45 0.500 -0.254 -6.574
317 1HG MET 45 1HG MET 45 3.210 0.752 -6.525
318 2HG MET 45 2HG MET 45 3.028 -0.305 -7.918
319 1HE MET 45 1HE MET 45 2.488 1.938 -10.282
320 2HE MET 45 2HE MET 45 3.032 3.178 -9.136
321 3HE MET 45 3HE MET 45 3.771 1.593 -9.131
322 H PHE 46 H PHE 46 -1.043 -1.021 -4.710
323 HA PHE 46 HA PHE 46 0.047 -3.662 -5.545
324 1HB PHE 46 1HB PHE 46 -1.491 -3.790 -3.618
325 2HB PHE 46 2HB PHE 46 -2.725 -2.949 -4.535
326 HD1 PHE 46 HD1 PHE 46 -4.430 -4.230 -5.502
327 HD2 PHE 46 HD2 PHE 46 -0.478 -5.991 -4.948
328 HE1 PHE 46 HE1 PHE 46 -5.289 -6.428 -6.376
329 HE2 PHE 46 HE2 PHE 46 -1.338 -8.192 -5.816
330 HZ PHE 46 HZ PHE 46 -3.740 -8.407 -6.542
331 H CYS 47 H CYS 47 0.378 -2.221 -7.742
332 HA CYS 47 HA CYS 47 -0.593 -0.022 -8.208
333 1HB CYS 47 2HB CYS 47 -0.020 -1.950 -10.085
334 2HB CYS 47 1HB CYS 47 -1.654 -1.541 -10.548
335 H ASN 48 H ASN 48 -2.983 -2.296 -9.551
336 HA ASN 48 HA ASN 48 -5.249 -2.376 -9.344
337 1HB ASN 48 2HB ASN 48 -4.326 -2.248 -6.749
338 2HB ASN 48 1HB ASN 48 -5.321 -0.796 -6.780
339 1HD2 ASN 48 HD2 ASN 48 -7.466 -0.939 -6.611
340 H GLN 49 H GLN 49 -7.176 -0.672 -8.334
341 HA GLN 49 HA GLN 49 -8.530 0.564 -9.708
342 1HB GLN 49 2HB GLN 49 -6.798 2.244 -8.444
343 2HB GLN 49 1HB GLN 49 -6.326 2.594 -10.090
344 1HG GLN 49 2HG GLN 49 -8.033 4.164 -9.870
345 2HG GLN 49 1HG GLN 49 -9.003 2.807 -10.433
346 1HE2 GLN 49 1HE2 GLN 49 -7.947 3.804 -6.810
347 2HE2 GLN 49 2HE2 GLN 49 -9.078 5.001 -7.413
348 H THR 50 H THR 50 -9.074 0.808 -11.951
349 HA THR 50 HA THR 50 -6.792 1.074 -13.747
350 HB THR 50 HB THR 50 -9.009 2.188 -15.065
351 HG1 THR 50 HG1 THR 50 -10.006 1.363 -13.007
352 1HG2 THR 50 1HG2 THR 50 -8.312 0.534 -16.476
353 2HG2 THR 50 2HG2 THR 50 -9.180 -0.628 -15.475
354 3HG2 THR 50 3HG2 THR 50 -7.477 -0.293 -15.160
355 H ALA 51 H ALA 51 -7.360 4.265 -14.901
356 HA ALA 51 HA ALA 51 -5.763 2.186 -15.281
357 1HB ALA 51 1HB ALA 51 -4.082 4.638 -15.022
358 2HB ALA 51 2HB ALA 51 -5.551 4.873 -15.966
359 3HB ALA 51 3HB ALA 51 -4.388 3.635 -16.443
360 H CYS 52 H CYS 52 -3.103 1.878 -14.388
361 HA CYS 52 HA CYS 52 -2.959 3.767 -12.169
362 1HB CYS 52 2HB CYS 52 -0.748 2.159 -13.469
363 2HB CYS 52 1HB CYS 52 -0.576 3.107 -12.008
364 HA PRO 53 HA PRO 53 0.578 3.576 -14.524
365 1HB PRO 53 2HB PRO 53 0.959 4.957 -17.052
366 2HB PRO 53 1HB PRO 53 1.067 3.232 -16.743
367 1HG PRO 53 2HG PRO 53 -1.079 4.673 -18.077
368 2HG PRO 53 1HG PRO 53 -0.944 2.937 -17.844
369 1HD PRO 53 2HD PRO 53 -2.737 4.741 -16.489
370 2HD PRO 53 1HD PRO 53 -2.519 3.012 -16.150
371 H ALA 54 H ALA 54 2.542 4.874 -14.872
372 HA ALA 54 HA ALA 54 2.847 7.176 -13.621
373 1HB ALA 54 1HB ALA 54 4.954 7.220 -14.589
374 2HB ALA 54 2HB ALA 54 4.313 7.151 -16.231
375 3HB ALA 54 3HB ALA 54 4.436 5.676 -15.272
376 H ASP 55 H ASP 55 3.978 8.892 -15.860
377 HA ASP 55 HA ASP 55 3.627 11.068 -15.328
378 1HB ASP 55 2HB ASP 55 3.012 11.138 -17.609
379 2HB ASP 55 1HB ASP 55 1.597 10.145 -17.347
380 H CYS 56 H CYS 56 2.448 9.219 -13.245
381 HA CYS 56 HA CYS 56 0.771 10.492 -11.771
382 1HB CYS 56 2HB CYS 56 3.471 10.570 -10.665
383 2HB CYS 56 1HB CYS 56 2.055 9.612 -10.172
384 H ASP 57 H ASP 57 1.215 12.494 -10.060
385 HA ASP 57 HA ASP 57 2.959 14.438 -10.903
386 1HB ASP 57 2HB ASP 57 2.190 15.278 -8.817
387 2HB ASP 57 1HB ASP 57 0.899 14.205 -9.248
388 HA PRO 58 HA PRO 58 6.766 13.135 -8.764
389 1HB PRO 58 2HB PRO 58 7.227 15.935 -8.137
390 2HB PRO 58 1HB PRO 58 8.111 14.919 -9.268
391 1HG PRO 58 2HG PRO 58 6.242 17.029 -9.907
392 2HG PRO 58 1HG PRO 58 7.108 15.993 -11.034
393 1HD PRO 58 2HD PRO 58 4.280 15.883 -10.334
394 2HD PRO 58 1HD PRO 58 5.143 14.880 -11.511
395 H ASN 59 H ASN 59 4.509 15.733 -7.501
396 HA ASN 59 HA ASN 59 6.370 15.526 -5.269
397 1HB ASN 59 1HB ASN 59 6.305 17.755 -6.292
398 2HB ASN 59 2HB ASN 59 4.531 17.790 -6.216
399 1HD2 ASN 59 1HD2 ASN 59 3.516 17.705 -4.159
400 2HD2 ASN 59 2HD2 ASN 59 4.175 18.752 -2.915
401 H THR 60 H THR 60 3.289 15.098 -5.952
402 HA THR 60 HA THR 60 2.272 16.095 -3.377
403 HB THR 60 HB THR 60 0.340 16.750 -4.409
404 HG1 THR 60 HG1 THR 60 -0.841 15.282 -5.648
405 1HG2 THR 60 1HG2 THR 60 1.392 15.629 -7.034
406 2HG2 THR 60 2HG2 THR 60 2.103 17.071 -6.304
407 3HG2 THR 60 3HG2 THR 60 0.403 17.067 -6.782
408 H GLN 61 H GLN 61 1.679 13.594 -5.325
409 HA GLN 61 HA GLN 61 1.288 11.665 -3.061
410 1HB GLN 61 2HB GLN 61 -0.149 11.521 -5.303
411 2HB GLN 61 1HB GLN 61 1.257 10.726 -5.959
412 1HG GLN 61 2HG GLN 61 1.019 8.832 -4.595
413 2HG GLN 61 1HG GLN 61 0.209 9.720 -3.310
414 1HE2 GLN 61 1HE2 GLN 61 -0.616 7.295 -5.557
415 2HE2 GLN 61 2HE2 GLN 61 -1.264 8.350 -6.800
416 H ALA 62 H ALA 62 2.775 9.801 -2.786
417 HA ALA 62 HA ALA 62 5.158 9.266 -3.783
418 1HB ALA 62 1HB ALA 62 3.574 7.641 -2.687
419 2HB ALA 62 2HB ALA 62 4.455 6.929 -4.041
420 3HB ALA 62 3HB ALA 62 2.775 7.433 -4.245
421 H SER 63 H SER 63 3.755 7.415 -5.875
422 HA SER 63 HA SER 63 1.844 8.088 -7.184
423 1HB SER 63 2HB SER 63 2.902 10.661 -7.071
424 2HB SER 63 1HB SER 63 3.282 10.217 -8.722
425 HG SER 63 HG SER 63 1.096 9.680 -8.965
426 H CYS 64 H CYS 64 4.913 8.161 -8.151
427 HA CYS 64 HA CYS 64 4.303 6.259 -10.385
428 1HB CYS 64 2HB CYS 64 7.008 7.678 -10.115
429 2HB CYS 64 1HB CYS 64 6.508 6.670 -11.449
430 H GLU 65 H GLU 65 4.266 4.157 -8.741
431 HA GLU 65 HA GLU 65 4.822 5.602 -6.491
432 1HB GLU 65 2HB GLU 65 3.898 2.833 -7.313
433 2HB GLU 65 1HB GLU 65 4.014 3.251 -5.665
434 1HG GLU 65 2HG GLU 65 2.540 5.367 -6.298
435 2HG GLU 65 1HG GLU 65 2.173 4.463 -7.761
436 H CYS 66 H CYS 66 5.609 2.556 -7.523
437 HA CYS 66 HA CYS 66 7.569 1.825 -5.836
438 1HB CYS 66 1HB CYS 66 7.453 0.808 -8.703
439 2HB CYS 66 2HB CYS 66 7.527 -0.065 -7.180
440 HA PRO 67 HA PRO 67 9.559 0.388 -6.401
441 1HB PRO 67 1HB PRO 67 11.350 -0.858 -8.316
442 2HB PRO 67 2HB PRO 67 9.740 -1.412 -7.813
443 1HG PRO 67 2HG PRO 67 10.336 -0.395 -10.393
444 2HG PRO 67 1HG PRO 67 8.730 -0.555 -9.704
445 1HD PRO 67 2HD PRO 67 10.438 1.918 -9.923
446 2HD PRO 67 1HD PRO 67 8.672 1.792 -9.920
447 H GLU 68 H GLU 68 11.684 -0.515 -5.482
448 HA GLU 68 HA GLU 68 13.827 1.027 -5.202
449 1HB GLU 68 2HB GLU 68 14.300 -1.866 -5.985
450 2HB GLU 68 1HB GLU 68 15.147 -0.922 -4.783
451 1HG GLU 68 2HG GLU 68 13.126 -0.885 -3.333
452 2HG GLU 68 1HG GLU 68 12.207 -1.750 -4.561
453 H GLY 69 H GLY 69 14.155 2.421 -7.094
454 1HA GLY 69 2HA GLY 69 14.818 2.786 -9.328
455 2HA GLY 69 1HA GLY 69 14.943 1.016 -9.558
456 H TYR 70 H TYR 70 11.542 0.427 -9.379
457 HA TYR 70 HA TYR 70 13.946 -0.707 -9.586
458 1HB TYR 70 2HB TYR 70 11.636 -1.851 -10.013
459 2HB TYR 70 1HB TYR 70 11.945 -1.565 -11.710
460 HD1 TYR 70 HD1 TYR 70 15.193 -2.034 -10.350
461 HD2 TYR 70 HD2 TYR 70 11.534 -4.233 -11.281
462 HE1 TYR 70 HE1 TYR 70 16.494 -4.166 -10.413
463 HE2 TYR 70 HE2 TYR 70 12.854 -6.374 -11.363
464 HH TYR 70 HH TYR 70 15.446 -6.967 -11.807
465 H ILE 71 H ILE 71 14.341 -1.863 -12.339
466 HA ILE 71 HA ILE 71 14.405 0.608 -13.963
467 HB ILE 71 HB ILE 71 15.332 -2.127 -14.877
468 1HG1 ILE 71 1HG1 ILE 71 16.595 -1.840 -12.889
469 2HG1 ILE 71 2HG1 ILE 71 17.654 -1.393 -14.205
470 1HG2 ILE 71 1HG2 ILE 71 15.156 -0.558 -16.690
471 2HG2 ILE 71 2HG2 ILE 71 16.874 -0.666 -16.303
472 3HG2 ILE 71 3HG2 ILE 71 15.931 0.723 -15.759
473 1HD1 ILE 71 1HD1 ILE 71 16.817 0.230 -11.947
474 2HD1 ILE 71 2HD1 ILE 71 16.285 1.014 -13.436
475 3HD1 ILE 71 3HD1 ILE 71 17.991 0.630 -13.202
476 H LEU 72 H LEU 72 11.823 -1.720 -13.350
477 HA LEU 72 HA LEU 72 10.110 -0.186 -13.589
478 1HB LEU 72 2HB LEU 72 11.639 0.967 -12.061
479 2HB LEU 72 1HB LEU 72 12.711 1.432 -13.341
480 HG LEU 72 HG LEU 72 10.642 2.777 -14.269
481 1HD1 LEU 72 1HD1 LEU 72 9.830 3.420 -11.625
482 2HD1 LEU 72 2HD1 LEU 72 9.772 1.656 -11.781
483 3HD1 LEU 72 3HD1 LEU 72 8.875 2.646 -12.929
484 1HD2 LEU 72 1HD2 LEU 72 11.644 4.662 -13.498
485 2HD2 LEU 72 2HD2 LEU 72 12.939 3.522 -13.127
486 3HD2 LEU 72 3HD2 LEU 72 11.825 4.043 -11.855
487 H ASP 73 H ASP 73 8.962 1.342 -14.765
488 HA ASP 73 HA ASP 73 9.944 1.810 -17.391
489 1HB ASP 73 2HB ASP 73 9.586 -0.227 -18.335
490 2HB ASP 73 1HB ASP 73 9.099 -0.843 -16.767
491 H ASP 74 H ASP 74 9.171 3.501 -17.717
492 HA ASP 74 HA ASP 74 7.758 5.355 -17.988
493 1HB ASP 74 2HB ASP 74 6.321 2.820 -18.854
494 2HB ASP 74 1HB ASP 74 5.337 4.278 -18.760
495 H GLY 75 H GLY 75 6.056 6.633 -15.788
496 1HA GLY 75 2HA GLY 75 8.752 5.495 -16.275
497 2HA GLY 75 1HA GLY 75 8.237 7.196 -16.462
498 H PHE 76 H PHE 76 6.990 5.887 -13.836
499 HA PHE 76 HA PHE 76 9.459 5.040 -12.741
500 1HB PHE 76 2HB PHE 76 8.352 7.492 -11.568
501 2HB PHE 76 1HB PHE 76 8.456 6.249 -10.332
502 HD1 PHE 76 HD1 PHE 76 10.309 8.579 -12.475
503 HD2 PHE 76 HD2 PHE 76 10.693 5.132 -9.831
504 HE1 PHE 76 HE1 PHE 76 12.778 9.019 -12.262
505 HE2 PHE 76 HE2 PHE 76 13.165 5.563 -9.625
506 HZ PHE 76 HZ PHE 76 14.208 7.506 -10.842
507 H ILE 77 H ILE 77 7.003 4.035 -13.639
508 HA ILE 77 HA ILE 77 5.058 4.369 -11.906
509 HB ILE 77 HB ILE 77 4.753 4.107 -14.086
510 1HG1 ILE 77 1HG1 ILE 77 2.686 3.571 -13.892
511 2HG1 ILE 77 2HG1 ILE 77 2.917 1.977 -13.184
512 1HG2 ILE 77 1HG2 ILE 77 4.771 1.988 -15.334
513 2HG2 ILE 77 2HG2 ILE 77 5.344 1.128 -13.894
514 3HG2 ILE 77 3HG2 ILE 77 6.343 2.359 -14.641
515 1HD1 ILE 77 1HD1 ILE 77 1.830 3.350 -11.517
516 2HD1 ILE 77 2HD1 ILE 77 2.757 4.775 -11.966
517 3HD1 ILE 77 3HD1 ILE 77 3.512 3.509 -11.023
518 H CYS 78 H CYS 78 3.579 1.783 -11.445
519 HA CYS 78 HA CYS 78 5.802 -0.183 -11.457
520 1HB CYS 78 2HB CYS 78 3.242 -0.153 -9.884
521 2HB CYS 78 1HB CYS 78 3.608 -1.663 -10.653
522 H THR 79 H THR 79 2.273 -0.226 -11.901
523 HA THR 79 HA THR 79 2.326 -0.289 -14.707
524 HB THR 79 HB THR 79 3.382 -2.622 -13.870
525 HG1 THR 79 HG1 THR 79 1.652 -3.145 -15.830
526 1HG2 THR 79 1HG2 THR 79 1.223 -3.168 -12.547
527 2HG2 THR 79 2HG2 THR 79 1.773 -4.418 -13.662
528 3HG2 THR 79 3HG2 THR 79 0.428 -3.368 -14.108
529 H ASP 80 H ASP 80 0.154 1.091 -14.339
530 HA ASP 80 HA ASP 80 -2.028 -0.082 -14.964
531 1HB ASP 80 2HB ASP 80 -1.823 0.637 -17.260
532 2HB ASP 80 1HB ASP 80 -0.685 1.650 -16.356
533 H ILE 81 H ILE 81 -2.530 -2.660 -14.921
534 HA ILE 81 HA ILE 81 -3.405 -3.600 -16.855
535 HB ILE 81 HB ILE 81 -3.187 -0.718 -17.789
536 1HG1 ILE 81 2HG1 ILE 81 -3.836 -0.815 -15.360
537 2HG1 ILE 81 1HG1 ILE 81 -5.053 -0.120 -16.398
538 1HG2 ILE 81 1HG2 ILE 81 -5.800 -1.778 -18.163
539 2HG2 ILE 81 2HG2 ILE 81 -4.685 -3.044 -18.680
540 3HG2 ILE 81 3HG2 ILE 81 -4.595 -1.438 -19.406
541 1HD1 ILE 81 1HD1 ILE 81 -5.567 -2.126 -14.578
542 2HD1 ILE 81 2HD1 ILE 81 -5.300 -3.079 -16.037
543 3HD1 ILE 81 3HD1 ILE 81 -6.552 -1.839 -16.014
544 H ASP 82 H ASP 82 -3.114 -2.089 -19.466
545 HA ASP 82 HA ASP 82 -1.356 -4.195 -20.354
546 1HB ASP 82 2HB ASP 82 -3.078 -2.103 -21.751
547 2HB ASP 82 1HB ASP 82 -1.929 -3.039 -22.700
548 H GLU 83 H GLU 83 0.886 -1.978 -19.173
549 HA GLU 83 HA GLU 83 0.562 -4.670 -20.107
550 1HB GLU 83 1HB GLU 83 2.699 -2.898 -21.309
551 2HB GLU 83 2HB GLU 83 3.129 -4.560 -20.983
552 1HG GLU 83 1HG GLU 83 0.626 -4.804 -22.240
553 2HG GLU 83 2HG GLU 83 1.383 -3.470 -23.104
554 H1 NAG 121 H1 ASN 21 -15.247 -2.624 4.947
555 H2 NAG 121 H2 ASN 21 -13.388 -0.227 5.372
556 H3 NAG 121 H3 ASN 21 -16.235 -0.046 4.334
557 H4 NAG 121 H4 ASN 21 -13.783 0.235 2.566
558 H5 NAG 121 H5 ASN 21 -15.646 -2.171 2.743
559 1H6 NAG 121 1H6 ASN 21 -14.308 -1.273 0.502
560 2H6 NAG 121 2H6 ASN 21 -14.668 -2.972 0.812
561 1H8 NAG 121 1H8 ASN 21 -12.619 -1.240 7.395
562 2H8 NAG 121 2H8 ASN 21 -12.732 -0.348 8.924
563 3H8 NAG 121 3H8 ASN 21 -13.792 -1.739 8.633
564 HN2 NAG 121 HN2 ASN 21 -15.968 -0.861 6.676
565 HO4 NAG 121 HO4 ASN 21 -16.475 -0.179 1.965
566 HO3 NAG 121 HO3 ASN 21 -14.410 1.831 3.727
567 HO6 NAG 121 H6 ASN 21 -12.363 -1.671 1.714
568 H1 NAG 148 H1 ASN 48 -8.680 -3.573 -6.695
569 H2 NAG 148 H2 ASN 48 -7.878 -2.248 -4.055
570 H3 NAG 148 H3 ASN 48 -9.537 -4.780 -4.234
571 H4 NAG 148 H4 ASN 48 -10.754 -2.073 -3.605
572 H5 NAG 148 H5 ASN 48 -10.922 -3.557 -6.262
573 1H6 NAG 148 1H6 ASN 48 -12.050 -0.837 -5.429
574 2H6 NAG 148 2H6 ASN 48 -13.010 -2.306 -5.606
575 1H8 NAG 148 1H8 ASN 48 -5.575 -2.104 -4.868
576 2H8 NAG 148 2H8 ASN 48 -5.978 -1.800 -3.166
577 3H8 NAG 148 3H8 ASN 48 -4.431 -2.553 -3.599
578 HN2 NAG 148 HN2 ASN 48 -7.119 -4.823 -5.273
579 HO4 NAG 148 HO4 ASN 48 -12.006 -3.545 -2.896
580 HO3 NAG 148 HO3 ASN 48 -10.042 -3.892 -2.110
581 HO6 NAG 148 H6 ASN 48 -11.882 -0.676 -7.477
Start of MODEL 10
1 1H HIS 1 1H HIS 1 6.113 2.478 19.278
2 2H HIS 1 2H HIS 1 5.543 0.881 19.172
3 3H HIS 1 3H HIS 1 4.637 2.053 20.003
4 HA HIS 1 HA HIS 1 5.661 0.706 21.570
5 1HB HIS 1 1HB HIS 1 8.096 0.380 21.650
6 2HB HIS 1 2HB HIS 1 7.486 -0.161 20.101
7 HD2 HIS 1 HD2 HIS 1 10.370 0.466 19.781
8 HE1 HIS 1 HE1 HIS 1 9.480 4.510 18.643
9 HE2 HIS 1 HE2 HIS 1 11.307 2.695 18.625
10 H MET 2 H MET 2 5.066 3.714 20.983
11 HA MET 2 HA MET 2 5.507 3.582 23.897
12 1HB MET 2 1HB MET 2 5.434 6.175 22.275
13 2HB MET 2 2HB MET 2 5.582 6.094 24.015
14 1HG MET 2 1HG MET 2 7.731 4.654 23.580
15 2HG MET 2 2HG MET 2 7.628 5.241 21.929
16 1HE MET 2 1HE MET 2 6.223 8.289 22.828
17 2HE MET 2 2HE MET 2 7.107 7.705 21.409
18 3HE MET 2 3HE MET 2 7.726 9.085 22.332
19 H GLU 3 H GLU 3 3.153 2.595 22.357
20 HA GLU 3 HA GLU 3 1.571 5.102 22.195
21 1HB GLU 3 2HB GLU 3 1.574 2.802 20.204
22 2HB GLU 3 1HB GLU 3 0.701 4.323 20.019
23 1HG GLU 3 1HG GLU 3 3.743 4.214 20.282
24 2HG GLU 3 2HG GLU 3 2.931 4.134 18.724
25 HA PRO 4 HA PRO 4 -2.032 2.626 23.345
26 1HB PRO 4 1HB PRO 4 -3.756 4.272 21.689
27 2HB PRO 4 2HB PRO 4 -3.633 4.288 23.443
28 1HG PRO 4 1HG PRO 4 -2.647 6.287 21.591
29 2HG PRO 4 2HG PRO 4 -2.525 6.301 23.346
30 1HD PRO 4 2HD PRO 4 -0.406 5.745 21.410
31 2HD PRO 4 1HD PRO 4 -0.262 5.864 23.171
32 H VAL 5 H VAL 5 -0.357 2.615 20.774
33 HA VAL 5 HA VAL 5 -0.585 1.294 18.729
34 HB VAL 5 HB VAL 5 0.862 0.415 20.116
35 1HG1 VAL 5 1HG1 VAL 5 -0.441 -1.292 22.039
36 2HG1 VAL 5 2HG1 VAL 5 0.508 0.160 22.356
37 3HG1 VAL 5 3HG1 VAL 5 -1.234 0.280 22.093
38 1HG2 VAL 5 1HG2 VAL 5 -0.778 -1.383 18.690
39 2HG2 VAL 5 2HG2 VAL 5 0.884 -1.676 19.198
40 3HG2 VAL 5 3HG2 VAL 5 -0.453 -2.210 20.215
41 H ASP 6 H ASP 6 -2.728 2.030 18.648
42 HA ASP 6 HA ASP 6 -5.054 0.674 19.161
43 1HB ASP 6 1HB ASP 6 -4.475 2.527 17.015
44 2HB ASP 6 2HB ASP 6 -5.183 1.200 16.283
45 HA PRO 7 HA PRO 7 -5.075 -3.208 16.667
46 1HB PRO 7 1HB PRO 7 -7.746 -2.564 15.662
47 2HB PRO 7 2HB PRO 7 -7.260 -3.883 16.720
48 1HG PRO 7 1HG PRO 7 -8.668 -1.491 17.477
49 2HG PRO 7 2HG PRO 7 -8.095 -2.764 18.548
50 1HD PRO 7 1HD PRO 7 -7.023 -0.085 18.256
51 2HD PRO 7 2HD PRO 7 -6.448 -1.356 19.343
52 H CYS 8 H CYS 8 -6.222 -0.033 15.397
53 HA CYS 8 HA CYS 8 -4.725 -0.652 12.998
54 1HB CYS 8 2HB CYS 8 -6.338 1.041 12.596
55 2HB CYS 8 1HB CYS 8 -6.005 1.821 14.143
56 H PHE 9 H PHE 9 -4.195 2.150 14.917
57 HA PHE 9 HA PHE 9 -1.662 2.571 14.245
58 1HB PHE 9 1HB PHE 9 -3.172 3.917 15.832
59 2HB PHE 9 2HB PHE 9 -2.582 2.832 17.107
60 HD1 PHE 9 HD1 PHE 9 -1.527 4.508 18.498
61 HD2 PHE 9 HD2 PHE 9 -0.443 4.137 14.285
62 HE1 PHE 9 HE1 PHE 9 0.460 6.003 18.876
63 HE2 PHE 9 HE2 PHE 9 1.529 5.641 14.660
64 HZ PHE 9 HZ PHE 9 1.980 6.583 16.949
65 H ARG 10 H ARG 10 0.435 2.374 15.631
66 HA ARG 10 HA ARG 10 2.038 0.888 15.675
67 1HB ARG 10 2HB ARG 10 0.183 -0.093 17.526
68 2HB ARG 10 1HB ARG 10 0.648 -1.524 16.603
69 1HG ARG 10 1HG ARG 10 3.001 0.109 17.204
70 2HG ARG 10 2HG ARG 10 2.095 -0.071 18.635
71 1HD ARG 10 1HD ARG 10 2.092 -2.705 18.002
72 2HD ARG 10 2HD ARG 10 3.461 -2.232 16.984
73 HE ARG 10 HE ARG 10 4.486 -1.323 19.089
74 1HH1 ARG 10 2HH1 ARG 10 1.653 -3.674 20.050
75 2HH1 ARG 10 1HH1 ARG 10 2.083 -2.574 21.317
76 1HH2 ARG 10 1HH2 ARG 10 5.132 -4.121 19.669
77 2HH2 ARG 10 2HH2 ARG 10 4.689 -3.839 21.320
78 H ALA 11 H ALA 11 -0.623 0.362 14.038
79 HA ALA 11 HA ALA 11 -0.772 -2.168 13.051
80 1HB ALA 11 1HB ALA 11 -1.260 -0.783 10.644
81 2HB ALA 11 2HB ALA 11 -2.441 -1.066 11.922
82 3HB ALA 11 3HB ALA 11 -1.535 0.441 11.886
83 H ASN 12 H ASN 12 0.084 -3.369 11.167
84 HA ASN 12 HA ASN 12 2.591 -2.135 10.181
85 1HB ASN 12 1HB ASN 12 1.772 -4.969 10.729
86 2HB ASN 12 2HB ASN 12 2.716 -4.760 9.260
87 1HD2 ASN 12 2HD2 ASN 12 4.847 -5.819 10.473
88 2HD2 ASN 12 1HD2 ASN 12 4.302 -5.839 12.140
89 H CYS 13 H CYS 13 -0.334 -1.974 9.262
90 HA CYS 13 HA CYS 13 -0.644 -2.449 6.686
91 1HB CYS 13 1HB CYS 13 -0.934 0.372 7.849
92 2HB CYS 13 2HB CYS 13 -1.739 -0.262 6.406
93 H GLU 14 H GLU 14 1.043 -2.843 5.551
94 HA GLU 14 HA GLU 14 2.861 -1.312 4.269
95 1HB GLU 14 1HB GLU 14 1.935 -3.353 3.236
96 2HB GLU 14 2HB GLU 14 0.477 -2.499 2.810
97 1HG GLU 14 1HG GLU 14 2.470 -2.777 1.042
98 2HG GLU 14 2HG GLU 14 1.506 -1.303 1.075
99 H TYR 15 H TYR 15 -0.533 -0.809 3.157
100 HA TYR 15 HA TYR 15 -0.107 2.059 3.194
101 1HB TYR 15 2HB TYR 15 -1.884 0.577 1.859
102 2HB TYR 15 1HB TYR 15 -2.903 0.863 3.255
103 HD1 TYR 15 HD1 TYR 15 -3.917 3.046 3.647
104 HD2 TYR 15 HD2 TYR 15 -0.912 2.515 0.529
105 HE1 TYR 15 HE1 TYR 15 -4.572 5.251 2.647
106 HE2 TYR 15 HE2 TYR 15 -1.549 4.740 -0.459
107 HH TYR 15 HH TYR 15 -2.653 6.935 0.447
108 H GLN 16 H GLN 16 -2.887 2.129 4.448
109 HA GLN 16 HA GLN 16 -1.946 2.040 7.266
110 1HB GLN 16 2HB GLN 16 -3.173 4.084 5.837
111 2HB GLN 16 1HB GLN 16 -4.528 3.434 6.713
112 1HG GLN 16 1HG GLN 16 -3.135 3.617 8.862
113 2HG GLN 16 2HG GLN 16 -1.898 4.446 7.926
114 1HE2 GLN 16 1HE2 GLN 16 -3.196 6.268 6.320
115 2HE2 GLN 16 2HE2 GLN 16 -4.857 6.570 6.795
116 H CYS 17 H CYS 17 -4.510 2.424 8.193
117 HA CYS 17 HA CYS 17 -4.939 -0.497 8.544
118 1HB CYS 17 1HB CYS 17 -6.309 0.467 10.674
119 2HB CYS 17 2HB CYS 17 -4.576 0.235 10.694
120 H GLN 18 H GLN 18 -6.904 -1.429 7.441
121 HA GLN 18 HA GLN 18 -9.135 -0.130 8.819
122 1HB GLN 18 1HB GLN 18 -9.035 -1.750 6.633
123 2HB GLN 18 2HB GLN 18 -9.274 -2.975 7.882
124 1HG GLN 18 1HG GLN 18 -11.503 -2.516 7.727
125 2HG GLN 18 2HG GLN 18 -11.157 -0.995 8.547
126 1HE2 GLN 18 2HE2 GLN 18 -9.921 0.612 6.789
127 2HE2 GLN 18 1HE2 GLN 18 -10.230 0.294 5.092
128 HA PRO 19 HA PRO 19 -9.578 -3.472 11.811
129 1HB PRO 19 1HB PRO 19 -12.023 -2.094 12.460
130 2HB PRO 19 2HB PRO 19 -10.668 -2.425 13.542
131 1HG PRO 19 1HG PRO 19 -11.451 0.130 12.409
132 2HG PRO 19 2HG PRO 19 -10.125 -0.192 13.520
133 1HD PRO 19 1HD PRO 19 -9.953 0.382 10.669
134 2HD PRO 19 2HD PRO 19 -8.617 0.098 11.796
135 H LEU 20 H LEU 20 -10.328 -4.968 9.904
136 HA LEU 20 HA LEU 20 -12.837 -5.408 9.566
137 1HB LEU 20 1HB LEU 20 -11.490 -6.874 11.876
138 2HB LEU 20 2HB LEU 20 -12.737 -7.525 10.827
139 HG LEU 20 HG LEU 20 -10.017 -6.623 10.260
140 1HD1 LEU 20 1HD1 LEU 20 -9.477 -8.911 9.703
141 2HD1 LEU 20 2HD1 LEU 20 -10.761 -9.152 10.900
142 3HD1 LEU 20 3HD1 LEU 20 -11.119 -9.255 9.183
143 1HD2 LEU 20 1HD2 LEU 20 -10.872 -5.766 8.281
144 2HD2 LEU 20 2HD2 LEU 20 -10.698 -7.430 7.729
145 3HD2 LEU 20 3HD2 LEU 20 -12.262 -6.847 8.297
146 H ASN 21 H ASN 21 -11.415 -4.897 12.571
147 HA ASN 21 HA ASN 21 -12.292 -5.240 14.768
148 1HB ASN 21 2HB ASN 21 -13.475 -3.343 15.614
149 2HB ASN 21 1HB ASN 21 -12.488 -2.700 14.292
150 1HD2 ASN 21 HD2 ASN 21 -14.931 -1.049 14.882
151 H GLN 22 H GLN 22 -14.550 -5.910 16.183
152 HA GLN 22 HA GLN 22 -14.882 -8.253 15.948
153 1HB GLN 22 1HB GLN 22 -13.496 -7.797 13.279
154 2HB GLN 22 2HB GLN 22 -13.558 -9.396 13.976
155 1HG GLN 22 1HG GLN 22 -16.008 -9.390 13.989
156 2HG GLN 22 2HG GLN 22 -16.059 -7.694 13.527
157 1HE2 GLN 22 2HE2 GLN 22 -17.247 -9.935 12.238
158 2HE2 GLN 22 1HE2 GLN 22 -16.737 -9.781 10.567
159 H THR 23 H THR 23 -11.598 -6.561 16.663
160 HA THR 23 HA THR 23 -11.718 -6.936 13.911
161 HB THR 23 HB THR 23 -9.791 -5.652 13.830
162 HG1 THR 23 HG1 THR 23 -8.031 -6.505 14.360
163 1HG2 THR 23 1HG2 THR 23 -10.746 -4.408 15.690
164 2HG2 THR 23 2HG2 THR 23 -10.279 -5.649 16.856
165 3HG2 THR 23 3HG2 THR 23 -9.053 -4.658 16.083
166 H SER 24 H SER 24 -10.650 -8.628 12.386
167 HA SER 24 HA SER 24 -8.260 -9.345 13.889
168 1HB SER 24 2HB SER 24 -9.306 -10.376 11.481
169 2HB SER 24 1HB SER 24 -7.988 -9.329 10.944
170 HG SER 24 HG SER 24 -6.634 -10.672 11.684
171 H TYR 25 H TYR 25 -9.504 -6.982 12.206
172 HA TYR 25 HA TYR 25 -8.902 -5.134 10.944
173 1HB TYR 25 2HB TYR 25 -7.391 -3.532 12.007
174 2HB TYR 25 1HB TYR 25 -8.368 -4.351 13.230
175 HD1 TYR 25 HD1 TYR 25 -7.265 -5.244 15.144
176 HD2 TYR 25 HD2 TYR 25 -4.997 -4.586 11.474
177 HE1 TYR 25 HE1 TYR 25 -5.160 -5.973 16.312
178 HE2 TYR 25 HE2 TYR 25 -2.893 -5.292 12.649
179 HH TYR 25 HH TYR 25 -2.150 -6.514 14.601
180 H LEU 26 H LEU 26 -7.896 -4.449 9.488
181 HA LEU 26 HA LEU 26 -6.151 -6.488 8.326
182 1HB LEU 26 2HB LEU 26 -7.747 -6.666 6.726
183 2HB LEU 26 1HB LEU 26 -8.729 -5.773 7.887
184 HG LEU 26 HG LEU 26 -7.603 -3.694 6.573
185 1HD1 LEU 26 1HD2 LEU 26 -6.723 -5.801 4.977
186 2HD1 LEU 26 2HD2 LEU 26 -8.221 -5.345 4.174
187 3HD1 LEU 26 3HD2 LEU 26 -6.956 -4.144 4.404
188 1HD2 LEU 26 1HD1 LEU 26 -9.748 -3.340 5.673
189 2HD2 LEU 26 2HD1 LEU 26 -9.974 -5.038 5.268
190 3HD2 LEU 26 3HD1 LEU 26 -10.111 -4.510 6.942
191 H CYS 27 H CYS 27 -5.563 -5.037 5.753
192 HA CYS 27 HA CYS 27 -5.004 -2.353 6.820
193 1HB CYS 27 1HB CYS 27 -2.850 -4.128 5.705
194 2HB CYS 27 2HB CYS 27 -2.689 -2.366 5.667
195 H VAL 28 H VAL 28 -5.221 -0.820 5.626
196 HA VAL 28 HA VAL 28 -6.601 -1.042 3.160
197 HB VAL 28 HB VAL 28 -5.129 1.493 3.387
198 1HG1 VAL 28 1HG2 VAL 28 -6.935 1.893 2.092
199 2HG1 VAL 28 2HG2 VAL 28 -7.845 0.539 2.763
200 3HG1 VAL 28 3HG2 VAL 28 -7.816 2.087 3.608
201 1HG2 VAL 28 1HG1 VAL 28 -7.076 1.837 5.443
202 2HG2 VAL 28 2HG1 VAL 28 -5.984 0.583 5.993
203 3HG2 VAL 28 3HG1 VAL 28 -5.350 2.131 5.477
204 H CYS 29 H CYS 29 -5.921 -0.395 1.129
205 HA CYS 29 HA CYS 29 -3.014 -0.631 0.728
206 1HB CYS 29 1HB CYS 29 -5.443 -1.619 -0.736
207 2HB CYS 29 2HB CYS 29 -3.857 -1.602 -1.518
208 H ALA 30 H ALA 30 -5.675 0.585 -0.452
209 HA ALA 30 HA ALA 30 -6.440 2.511 -1.673
210 1HB ALA 30 1HB ALA 30 -5.297 4.327 -0.704
211 2HB ALA 30 2HB ALA 30 -4.284 3.103 0.065
212 3HB ALA 30 3HB ALA 30 -3.769 3.850 -1.447
213 H GLU 31 H GLU 31 -6.732 3.212 -3.658
214 HA GLU 31 HA GLU 31 -6.532 0.831 -4.632
215 1HB GLU 31 2HB GLU 31 -8.308 1.637 -5.681
216 2HB GLU 31 1HB GLU 31 -7.805 3.259 -5.343
217 1HG GLU 31 1HG GLU 31 -6.413 3.245 -7.422
218 2HG GLU 31 2HG GLU 31 -7.080 1.657 -7.835
219 H GLY 32 H GLY 32 -4.558 3.186 -5.411
220 1HA GLY 32 2HA GLY 32 -2.737 2.561 -7.484
221 2HA GLY 32 1HA GLY 32 -2.200 3.023 -5.841
222 H PHE 33 H PHE 33 -3.715 0.582 -4.880
223 HA PHE 33 HA PHE 33 -1.341 -1.195 -4.859
224 1HB PHE 33 2HB PHE 33 -2.397 0.742 -2.780
225 2HB PHE 33 1HB PHE 33 -1.668 -0.766 -2.225
226 HD1 PHE 33 HD1 PHE 33 0.761 -0.955 -2.061
227 HD2 PHE 33 HD2 PHE 33 -1.048 2.247 -4.409
228 HE1 PHE 33 HE1 PHE 33 2.985 0.187 -2.209
229 HE2 PHE 33 HE2 PHE 33 1.199 3.380 -4.583
230 HZ PHE 33 HZ PHE 33 3.214 2.346 -3.483
231 H ALA 34 H ALA 34 -1.981 -3.304 -4.448
232 HA ALA 34 HA ALA 34 -4.015 -4.094 -2.812
233 1HB ALA 34 1HB ALA 34 -5.095 -2.735 -5.225
234 2HB ALA 34 2HB ALA 34 -5.791 -4.341 -5.013
235 3HB ALA 34 3HB ALA 34 -5.938 -3.136 -3.729
236 HA PRO 35 HA PRO 35 -1.732 -5.992 -2.635
237 1HB PRO 35 1HB PRO 35 -2.385 -8.542 -1.550
238 2HB PRO 35 2HB PRO 35 -2.534 -6.998 -0.715
239 1HG PRO 35 1HG PRO 35 -4.679 -8.701 -1.721
240 2HG PRO 35 2HG PRO 35 -4.817 -7.234 -0.761
241 1HD PRO 35 2HD PRO 35 -5.325 -7.543 -3.618
242 2HD PRO 35 1HD PRO 35 -5.500 -6.074 -2.645
243 H ILE 36 H ILE 36 -0.137 -6.514 -4.139
244 HA ILE 36 HA ILE 36 1.040 -8.588 -4.965
245 HB ILE 36 HB ILE 36 2.533 -7.285 -3.892
246 1HG1 ILE 36 1HG1 ILE 36 2.827 -9.852 -3.117
247 2HG1 ILE 36 2HG1 ILE 36 3.956 -8.560 -2.844
248 1HG2 ILE 36 1HG2 ILE 36 1.003 -7.387 -1.281
249 2HG2 ILE 36 2HG2 ILE 36 2.396 -6.373 -1.643
250 3HG2 ILE 36 3HG2 ILE 36 0.868 -6.091 -2.472
251 1HD1 ILE 36 1HD1 ILE 36 3.435 -9.817 -0.758
252 2HD1 ILE 36 2HD1 ILE 36 2.991 -8.098 -0.650
253 3HD1 ILE 36 3HD1 ILE 36 1.734 -9.311 -0.918
254 HA PRO 37 HA PRO 37 -0.095 -12.719 -3.716
255 1HB PRO 37 1HB PRO 37 2.840 -12.913 -3.148
256 2HB PRO 37 2HB PRO 37 1.842 -13.978 -4.120
257 1HG PRO 37 1HG PRO 37 3.574 -11.982 -5.127
258 2HG PRO 37 2HG PRO 37 2.263 -12.707 -6.053
259 1HD PRO 37 1HD PRO 37 2.437 -9.984 -5.054
260 2HD PRO 37 2HD PRO 37 1.130 -10.692 -6.013
261 H HIS 38 H HIS 38 1.437 -14.199 -1.926
262 HA HIS 38 HA HIS 38 -0.112 -14.695 -0.116
263 1HB HIS 38 1HB HIS 38 1.395 -14.729 1.799
264 2HB HIS 38 2HB HIS 38 2.128 -15.339 0.313
265 HD1 HIS 38 HD1 HIS 38 3.882 -14.313 2.834
266 HD2 HIS 38 HD2 HIS 38 2.879 -12.158 -0.652
267 HE1 HIS 38 HE1 HIS 38 5.510 -12.323 2.706
268 H GLU 39 H GLU 39 1.292 -12.546 1.780
269 HA GLU 39 HA GLU 39 -0.311 -13.136 3.632
270 1HB GLU 39 2HB GLU 39 0.675 -10.304 3.220
271 2HB GLU 39 1HB GLU 39 0.077 -10.862 4.791
272 1HG GLU 39 1HG GLU 39 2.202 -12.437 3.314
273 2HG GLU 39 2HG GLU 39 2.686 -11.042 4.255
274 HA PRO 40 HA PRO 40 -3.077 -9.335 3.280
275 1HB PRO 40 1HB PRO 40 -3.475 -8.772 6.006
276 2HB PRO 40 2HB PRO 40 -4.649 -9.602 4.993
277 1HG PRO 40 1HG PRO 40 -3.013 -10.714 7.165
278 2HG PRO 40 2HG PRO 40 -4.342 -11.479 6.302
279 1HD PRO 40 1HD PRO 40 -1.450 -11.896 5.900
280 2HD PRO 40 2HD PRO 40 -2.786 -12.779 5.145
281 H HIS 41 H HIS 41 -1.430 -7.605 2.928
282 HA HIS 41 HA HIS 41 -1.946 -5.999 5.168
283 1HB HIS 41 2HB HIS 41 0.389 -5.568 5.874
284 2HB HIS 41 1HB HIS 41 -0.141 -7.162 6.441
285 HD1 HIS 41 HD1 HIS 41 1.033 -9.344 4.971
286 HD2 HIS 41 HD2 HIS 41 2.311 -5.416 4.136
287 HE1 HIS 41 HE1 HIS 41 2.771 -9.469 3.061
288 H ARG 42 H ARG 42 -1.831 -5.153 2.295
289 HA ARG 42 HA ARG 42 0.899 -6.311 2.127
290 1HB ARG 42 2HB ARG 42 -1.669 -7.273 1.270
291 2HB ARG 42 1HB ARG 42 -0.637 -7.253 -0.167
292 1HG ARG 42 2HG ARG 42 1.147 -8.284 0.882
293 2HG ARG 42 1HG ARG 42 0.162 -8.403 2.360
294 1HD ARG 42 2HD ARG 42 -0.791 -9.235 -0.467
295 2HD ARG 42 1HD ARG 42 -0.074 -10.389 0.635
296 HE ARG 42 HE ARG 42 -1.998 -9.702 2.184
297 1HH1 ARG 42 2HH1 ARG 42 -2.265 -11.325 -0.674
298 2HH1 ARG 42 1HH1 ARG 42 -3.689 -10.582 -1.324
299 1HH2 ARG 42 2HH2 ARG 42 -4.536 -9.116 1.550
300 2HH2 ARG 42 1HH2 ARG 42 -4.482 -8.476 -0.059
301 H CYS 43 H CYS 43 -1.236 -5.082 0.213
302 HA CYS 43 HA CYS 43 -0.842 -4.249 -2.287
303 1HB CYS 43 2HB CYS 43 -0.630 -1.764 -0.912
304 2HB CYS 43 1HB CYS 43 -2.102 -2.578 -1.537
305 H GLN 44 H GLN 44 0.783 -4.282 -3.502
306 HA GLN 44 HA GLN 44 2.997 -2.596 -2.677
307 1HB GLN 44 1HB GLN 44 3.757 -4.736 -1.807
308 2HB GLN 44 2HB GLN 44 3.282 -5.557 -3.266
309 1HG GLN 44 1HG GLN 44 5.078 -4.445 -4.552
310 2HG GLN 44 2HG GLN 44 5.502 -3.454 -3.160
311 1HE2 GLN 44 1HE2 GLN 44 5.874 -4.844 -1.056
312 2HE2 GLN 44 2HE2 GLN 44 6.225 -6.555 -1.223
313 H MET 45 H MET 45 3.856 -1.563 -4.422
314 HA MET 45 HA MET 45 1.275 -0.976 -4.860
315 1HB MET 45 1HB MET 45 1.940 1.008 -5.919
316 2HB MET 45 2HB MET 45 3.500 0.474 -5.338
317 1HG MET 45 1HG MET 45 4.048 0.853 -7.569
318 2HG MET 45 2HG MET 45 3.541 -0.823 -7.701
319 1HE MET 45 1HE MET 45 1.943 -0.603 -10.649
320 2HE MET 45 2HE MET 45 2.927 0.862 -10.754
321 3HE MET 45 3HE MET 45 3.533 -0.557 -9.877
322 H PHE 46 H PHE 46 -0.353 -0.975 -6.468
323 HA PHE 46 HA PHE 46 -0.191 -3.678 -7.113
324 1HB PHE 46 1HB PHE 46 -2.387 -3.166 -6.460
325 2HB PHE 46 2HB PHE 46 -2.315 -1.569 -7.140
326 HD1 PHE 46 HD1 PHE 46 -2.262 -5.125 -8.534
327 HD2 PHE 46 HD2 PHE 46 -3.966 -1.112 -8.701
328 HE1 PHE 46 HE1 PHE 46 -3.752 -5.841 -10.421
329 HE2 PHE 46 HE2 PHE 46 -5.458 -1.828 -10.598
330 HZ PHE 46 HZ PHE 46 -5.347 -4.191 -11.464
331 H CYS 47 H CYS 47 0.534 -1.116 -8.910
332 HA CYS 47 HA CYS 47 -1.434 -1.664 -10.911
333 1HB CYS 47 2HB CYS 47 0.381 0.614 -10.457
334 2HB CYS 47 1HB CYS 47 0.135 0.342 -12.160
335 H ASN 48 H ASN 48 -1.448 -2.712 -12.865
336 HA ASN 48 HA ASN 48 1.074 -3.790 -13.766
337 1HB ASN 48 2HB ASN 48 0.748 -6.085 -12.770
338 2HB ASN 48 1HB ASN 48 0.883 -4.870 -11.503
339 1HD2 ASN 48 HD2 ASN 48 -1.365 -5.586 -9.769
340 H GLN 49 H GLN 49 -1.037 -2.719 -15.299
341 HA GLN 49 HA GLN 49 -0.395 -4.840 -17.093
342 1HB GLN 49 2HB GLN 49 -2.380 -5.977 -16.369
343 2HB GLN 49 1HB GLN 49 -3.286 -4.491 -16.212
344 1HG GLN 49 2HG GLN 49 -3.374 -4.234 -18.682
345 2HG GLN 49 1HG GLN 49 -2.366 -5.663 -18.888
346 1HE2 GLN 49 2HE2 GLN 49 -5.494 -4.409 -18.411
347 2HE2 GLN 49 1HE2 GLN 49 -6.302 -5.926 -18.760
348 H THR 50 H THR 50 0.037 -3.313 -19.330
349 HA THR 50 HA THR 50 0.997 -2.158 -16.959
350 HB THR 50 HB THR 50 2.779 -1.255 -18.305
351 HG1 THR 50 HG1 THR 50 2.125 -1.319 -20.708
352 1HG2 THR 50 1HG2 THR 50 1.894 -3.906 -18.808
353 2HG2 THR 50 2HG2 THR 50 3.494 -3.250 -19.157
354 3HG2 THR 50 3HG2 THR 50 2.245 -3.234 -20.400
355 H ALA 51 H ALA 51 -1.712 -1.110 -17.095
356 HA ALA 51 HA ALA 51 -1.681 0.112 -15.148
357 1HB ALA 51 1HB ALA 51 0.637 -0.187 -14.012
358 2HB ALA 51 2HB ALA 51 1.249 -0.771 -15.552
359 3HB ALA 51 3HB ALA 51 0.001 -1.680 -14.700
360 H CYS 52 H CYS 52 0.305 1.413 -13.861
361 HA CYS 52 HA CYS 52 -1.012 3.782 -14.947
362 1HB CYS 52 2HB CYS 52 -0.412 3.178 -12.048
363 2HB CYS 52 1HB CYS 52 -1.732 4.134 -12.707
364 HA PRO 53 HA PRO 53 0.736 6.474 -15.319
365 1HB PRO 53 2HB PRO 53 0.759 8.712 -13.568
366 2HB PRO 53 1HB PRO 53 -0.729 7.915 -14.067
367 1HG PRO 53 2HG PRO 53 0.607 7.818 -11.431
368 2HG PRO 53 1HG PRO 53 -1.015 7.290 -11.853
369 1HD PRO 53 2HD PRO 53 1.383 5.640 -11.505
370 2HD PRO 53 1HD PRO 53 -0.280 5.124 -11.767
371 H ALA 54 H ALA 54 3.329 5.606 -13.579
372 HA ALA 54 HA ALA 54 4.642 6.937 -12.042
373 1HB ALA 54 1HB ALA 54 6.428 7.710 -13.370
374 2HB ALA 54 2HB ALA 54 5.383 8.770 -14.314
375 3HB ALA 54 3HB ALA 54 5.492 7.053 -14.713
376 H ASP 55 H ASP 55 5.520 9.649 -12.589
377 HA ASP 55 HA ASP 55 5.015 11.588 -11.480
378 1HB ASP 55 1HB ASP 55 4.519 12.263 -13.685
379 2HB ASP 55 2HB ASP 55 3.166 11.156 -13.816
380 H CYS 56 H CYS 56 3.935 9.224 -10.042
381 HA CYS 56 HA CYS 56 2.125 9.761 -8.336
382 1HB CYS 56 2HB CYS 56 4.832 10.075 -7.212
383 2HB CYS 56 1HB CYS 56 3.641 8.775 -6.990
384 H ASP 57 H ASP 57 3.474 11.005 -6.142
385 HA ASP 57 HA ASP 57 2.205 13.357 -5.950
386 1HB ASP 57 2HB ASP 57 3.843 12.127 -4.268
387 2HB ASP 57 1HB ASP 57 5.079 13.194 -4.920
388 HA PRO 58 HA PRO 58 4.328 16.621 -8.277
389 1HB PRO 58 2HB PRO 58 3.721 18.412 -6.058
390 2HB PRO 58 1HB PRO 58 3.039 18.425 -7.677
391 1HG PRO 58 2HG PRO 58 1.762 17.528 -5.241
392 2HG PRO 58 1HG PRO 58 1.080 17.539 -6.862
393 1HD PRO 58 2HD PRO 58 1.952 15.235 -5.343
394 2HD PRO 58 1HD PRO 58 1.303 15.242 -6.990
395 H ASN 59 H ASN 59 4.564 16.587 -4.609
396 HA ASN 59 HA ASN 59 6.362 18.688 -5.071
397 1HB ASN 59 1HB ASN 59 4.803 17.864 -2.965
398 2HB ASN 59 2HB ASN 59 6.407 17.407 -2.360
399 1HD2 ASN 59 1HD2 ASN 59 4.299 19.498 -1.861
400 2HD2 ASN 59 2HD2 ASN 59 5.169 21.016 -1.713
401 H THR 60 H THR 60 6.736 15.897 -3.492
402 HA THR 60 HA THR 60 9.655 16.201 -3.533
403 HB THR 60 HB THR 60 9.298 16.083 -1.303
404 HG1 THR 60 HG1 THR 60 10.221 14.369 -0.754
405 1HG2 THR 60 1HG2 THR 60 7.469 14.317 -0.464
406 2HG2 THR 60 2HG2 THR 60 6.899 14.484 -2.139
407 3HG2 THR 60 3HG2 THR 60 6.985 15.910 -1.101
408 H GLN 61 H GLN 61 8.257 14.503 -5.681
409 HA GLN 61 HA GLN 61 6.952 12.539 -4.560
410 1HB GLN 61 1HB GLN 61 7.027 11.171 -6.566
411 2HB GLN 61 2HB GLN 61 7.231 12.827 -7.082
412 1HG GLN 61 2HG GLN 61 9.874 12.068 -6.659
413 2HG GLN 61 1HG GLN 61 9.155 10.566 -7.231
414 1HE2 GLN 61 2HE2 GLN 61 8.144 10.659 -9.634
415 2HE2 GLN 61 1HE2 GLN 61 7.365 12.223 -9.779
416 H ALA 62 H ALA 62 9.048 12.530 -2.665
417 HA ALA 62 HA ALA 62 9.993 10.093 -2.266
418 1HB ALA 62 1HB ALA 62 8.841 12.045 -0.608
419 2HB ALA 62 2HB ALA 62 9.672 10.593 -0.048
420 3HB ALA 62 3HB ALA 62 7.916 10.594 -0.218
421 H SER 63 H SER 63 8.821 8.803 -4.116
422 HA SER 63 HA SER 63 6.294 7.689 -3.584
423 1HB SER 63 2HB SER 63 5.830 10.136 -5.321
424 2HB SER 63 1HB SER 63 4.700 9.321 -4.247
425 HG SER 63 HG SER 63 5.601 10.295 -2.556
426 H CYS 64 H CYS 64 8.451 6.531 -5.216
427 HA CYS 64 HA CYS 64 5.849 5.496 -5.563
428 1HB CYS 64 2HB CYS 64 7.221 6.500 -8.026
429 2HB CYS 64 1HB CYS 64 6.611 4.866 -8.174
430 H GLU 65 H GLU 65 5.976 3.021 -6.420
431 HA GLU 65 HA GLU 65 8.004 2.426 -4.374
432 1HB GLU 65 1HB GLU 65 5.530 3.511 -3.835
433 2HB GLU 65 2HB GLU 65 5.124 1.823 -3.768
434 1HG GLU 65 2HG GLU 65 6.588 1.381 -1.929
435 2HG GLU 65 1HG GLU 65 7.532 2.841 -2.209
436 H CYS 66 H CYS 66 6.905 1.321 -7.023
437 HA CYS 66 HA CYS 66 5.208 -0.692 -6.617
438 1HB CYS 66 1HB CYS 66 6.968 -1.067 -8.959
439 2HB CYS 66 2HB CYS 66 5.266 -0.601 -8.897
440 HA PRO 67 HA PRO 67 7.237 -4.438 -5.783
441 1HB PRO 67 1HB PRO 67 6.771 -6.011 -8.147
442 2HB PRO 67 2HB PRO 67 5.744 -5.941 -6.699
443 1HG PRO 67 2HG PRO 67 5.200 -4.830 -9.329
444 2HG PRO 67 1HG PRO 67 4.154 -4.823 -7.915
445 1HD PRO 67 2HD PRO 67 5.687 -2.600 -9.021
446 2HD PRO 67 1HD PRO 67 4.576 -2.555 -7.643
447 H GLU 68 H GLU 68 8.957 -6.306 -6.880
448 HA GLU 68 HA GLU 68 10.736 -5.532 -5.472
449 1HB GLU 68 2HB GLU 68 11.537 -5.414 -8.422
450 2HB GLU 68 1HB GLU 68 12.675 -5.581 -7.105
451 1HG GLU 68 2HG GLU 68 10.401 -7.562 -7.211
452 2HG GLU 68 1HG GLU 68 11.685 -7.734 -8.401
453 H GLY 69 H GLY 69 12.967 -3.680 -5.981
454 1HA GLY 69 1HA GLY 69 11.908 -1.570 -7.645
455 2HA GLY 69 2HA GLY 69 13.622 -2.077 -7.524
456 H TYR 70 H TYR 70 10.455 -3.054 -8.764
457 HA TYR 70 HA TYR 70 10.628 -4.919 -10.502
458 1HB TYR 70 2HB TYR 70 8.816 -3.122 -10.512
459 2HB TYR 70 1HB TYR 70 9.841 -2.150 -11.552
460 HD1 TYR 70 HD1 TYR 70 8.948 -5.844 -11.465
461 HD2 TYR 70 HD2 TYR 70 9.075 -2.144 -13.771
462 HE1 TYR 70 HE1 TYR 70 8.075 -7.072 -13.482
463 HE2 TYR 70 HE2 TYR 70 8.203 -3.371 -15.789
464 HH TYR 70 HH TYR 70 7.138 -6.763 -15.605
465 H ILE 71 H ILE 71 11.268 -2.637 -13.212
466 HA ILE 71 HA ILE 71 13.292 -1.679 -11.334
467 HB ILE 71 HB ILE 71 14.227 -3.213 -13.284
468 1HG1 ILE 71 1HG1 ILE 71 15.477 -0.533 -12.581
469 2HG1 ILE 71 2HG1 ILE 71 15.645 -2.016 -11.673
470 1HG2 ILE 71 1HG2 ILE 71 14.746 -2.089 -15.369
471 2HG2 ILE 71 2HG2 ILE 71 14.125 -0.553 -14.762
472 3HG2 ILE 71 3HG2 ILE 71 13.020 -1.892 -15.076
473 1HD1 ILE 71 1HD1 ILE 71 16.889 -3.086 -13.496
474 2HD1 ILE 71 2HD1 ILE 71 17.618 -1.505 -13.211
475 3HD1 ILE 71 3HD1 ILE 71 16.546 -1.745 -14.589
476 H LEU 72 H LEU 72 13.134 0.394 -11.051
477 HA LEU 72 HA LEU 72 10.784 1.503 -11.489
478 1HB LEU 72 2HB LEU 72 13.006 2.447 -10.261
479 2HB LEU 72 1HB LEU 72 13.163 3.369 -11.734
480 HG LEU 72 HG LEU 72 11.722 4.091 -9.491
481 1HD1 LEU 72 1HD2 LEU 72 12.842 5.621 -10.999
482 2HD1 LEU 72 2HD2 LEU 72 11.125 6.050 -10.987
483 3HD1 LEU 72 3HD2 LEU 72 11.805 5.145 -12.344
484 1HD2 LEU 72 1HD1 LEU 72 9.839 3.450 -11.787
485 2HD2 LEU 72 2HD1 LEU 72 9.426 4.393 -10.352
486 3HD2 LEU 72 3HD1 LEU 72 9.838 2.676 -10.194
487 H ASP 73 H ASP 73 9.556 2.402 -13.115
488 HA ASP 73 HA ASP 73 10.950 2.213 -15.696
489 1HB ASP 73 2HB ASP 73 9.900 -0.068 -14.395
490 2HB ASP 73 1HB ASP 73 8.612 0.369 -15.509
491 H ASP 74 H ASP 74 8.382 1.565 -17.138
492 HA ASP 74 HA ASP 74 9.332 3.742 -18.298
493 1HB ASP 74 2HB ASP 74 6.422 2.796 -18.553
494 2HB ASP 74 1HB ASP 74 7.177 3.910 -19.687
495 H GLY 75 H GLY 75 9.493 5.060 -16.153
496 1HA GLY 75 1HA GLY 75 9.102 7.482 -17.144
497 2HA GLY 75 2HA GLY 75 7.479 7.182 -16.492
498 H PHE 76 H PHE 76 8.154 5.823 -14.531
499 HA PHE 76 HA PHE 76 10.061 6.137 -12.669
500 1HB PHE 76 2HB PHE 76 8.701 8.732 -12.984
501 2HB PHE 76 1HB PHE 76 8.607 8.207 -11.314
502 HD1 PHE 76 HD1 PHE 76 11.369 7.490 -13.791
503 HD2 PHE 76 HD2 PHE 76 10.149 9.661 -10.211
504 HE1 PHE 76 HE1 PHE 76 13.752 8.204 -13.414
505 HE2 PHE 76 HE2 PHE 76 12.533 10.375 -9.831
506 HZ PHE 76 HZ PHE 76 14.336 9.644 -11.433
507 H ILE 77 H ILE 77 8.128 4.354 -13.148
508 HA ILE 77 HA ILE 77 5.829 5.667 -12.976
509 HB ILE 77 HB ILE 77 6.336 3.823 -14.431
510 1HG1 ILE 77 1HG1 ILE 77 3.697 3.502 -13.024
511 2HG1 ILE 77 2HG1 ILE 77 4.050 4.503 -14.426
512 1HG2 ILE 77 1HG2 ILE 77 5.310 1.736 -12.727
513 2HG2 ILE 77 2HG2 ILE 77 6.762 2.500 -12.034
514 3HG2 ILE 77 3HG2 ILE 77 6.824 1.798 -13.676
515 1HD1 ILE 77 1HD1 ILE 77 3.120 1.881 -14.521
516 2HD1 ILE 77 2HD1 ILE 77 4.849 1.675 -14.802
517 3HD1 ILE 77 3HD1 ILE 77 3.902 2.723 -15.859
518 H CYS 78 H CYS 78 3.773 5.349 -11.733
519 HA CYS 78 HA CYS 78 2.717 3.333 -10.879
520 1HB CYS 78 2HB CYS 78 4.853 3.536 -8.684
521 2HB CYS 78 1HB CYS 78 3.518 2.424 -8.666
522 H THR 79 H THR 79 2.515 3.834 -7.559
523 HA THR 79 HA THR 79 0.383 2.806 -8.358
524 HB THR 79 HB THR 79 0.011 3.525 -6.175
525 HG1 THR 79 HG1 THR 79 -1.876 3.828 -7.186
526 1HG2 THR 79 1HG2 THR 79 0.724 6.354 -7.104
527 2HG2 THR 79 2HG2 THR 79 1.694 5.315 -6.061
528 3HG2 THR 79 3HG2 THR 79 0.166 5.974 -5.475
529 H ASP 80 H ASP 80 -0.985 2.985 -10.433
530 HA ASP 80 HA ASP 80 -2.754 4.390 -8.704
531 1HB ASP 80 1HB ASP 80 -2.179 5.570 -11.408
532 2HB ASP 80 2HB ASP 80 -3.872 5.601 -10.875
533 H ILE 81 H ILE 81 -3.585 3.037 -12.273
534 HA ILE 81 HA ILE 81 -5.205 4.880 -12.173
535 HB ILE 81 HB ILE 81 -5.779 2.724 -13.321
536 1HG1 ILE 81 2HG1 ILE 81 -8.225 3.890 -11.962
537 2HG1 ILE 81 1HG1 ILE 81 -7.336 4.752 -13.196
538 1HG2 ILE 81 1HG2 ILE 81 -5.810 1.498 -10.954
539 2HG2 ILE 81 2HG2 ILE 81 -6.823 0.922 -12.278
540 3HG2 ILE 81 3HG2 ILE 81 -7.520 1.919 -10.999
541 1HD1 ILE 81 1HD1 ILE 81 -7.692 2.311 -14.455
542 2HD1 ILE 81 2HD1 ILE 81 -8.786 3.683 -14.641
543 3HD1 ILE 81 3HD1 ILE 81 -9.160 2.408 -13.481
544 H ASP 82 H ASP 82 -5.251 6.150 -9.948
545 HA ASP 82 HA ASP 82 -8.114 5.585 -10.303
546 1HB ASP 82 1HB ASP 82 -7.292 5.455 -7.786
547 2HB ASP 82 2HB ASP 82 -7.176 7.209 -7.892
548 H GLU 83 H GLU 83 -7.778 6.697 -12.243
549 HA GLU 83 HA GLU 83 -6.711 9.353 -12.213
550 1HB GLU 83 1HB GLU 83 -8.520 8.035 -14.309
551 2HB GLU 83 2HB GLU 83 -7.535 9.453 -14.578
552 1HG GLU 83 1HG GLU 83 -5.942 7.193 -13.526
553 2HG GLU 83 2HG GLU 83 -6.744 6.800 -15.043
554 H1 NAG 121 H1 ASN 21 -13.749 -1.129 12.219
555 H2 NAG 121 H2 ASN 21 -16.440 -1.379 12.286
556 H3 NAG 121 H3 ASN 21 -16.250 1.580 11.792
557 H4 NAG 121 H4 ASN 21 -16.715 0.397 14.563
558 H5 NAG 121 H5 ASN 21 -14.542 2.359 14.173
559 1H6 NAG 121 1H6 ASN 21 -15.218 0.100 15.956
560 2H6 NAG 121 2H6 ASN 21 -14.271 1.550 16.290
561 1H8 NAG 121 1H8 ASN 21 -14.863 -3.574 9.659
562 2H8 NAG 121 2H8 ASN 21 -13.960 -2.206 8.986
563 3H8 NAG 121 3H8 ASN 21 -13.968 -2.486 10.740
564 HN2 NAG 121 HN2 ASN 21 -15.220 0.298 10.186
565 HO4 NAG 121 HO4 ASN 21 -17.303 2.681 13.375
566 HO3 NAG 121 HO3 ASN 21 -18.231 1.270 11.676
567 HO6 NAG 121 H6 ASN 21 -13.153 -0.285 14.597
568 H1 NAG 148 H1 ASN 48 0.586 -7.334 -10.392
569 H2 NAG 148 H2 ASN 48 -2.034 -7.921 -8.914
570 H3 NAG 148 H3 ASN 48 0.565 -9.455 -8.563
571 H4 NAG 148 H4 ASN 48 -1.831 -10.503 -10.107
572 H5 NAG 148 H5 ASN 48 0.761 -9.434 -11.302
573 1H6 NAG 148 1H6 ASN 48 -1.137 -11.322 -12.309
574 2H6 NAG 148 2H6 ASN 48 0.166 -10.537 -13.204
575 1H8 NAG 148 1H8 ASN 48 -1.606 -4.980 -6.667
576 2H8 NAG 148 2H8 ASN 48 -1.360 -5.716 -5.103
577 3H8 NAG 148 3H8 ASN 48 0.047 -5.372 -6.113
578 HN2 NAG 148 HN2 ASN 48 0.439 -6.652 -8.062
579 HO4 NAG 148 HO4 ASN 48 0.810 -11.345 -10.177
580 HO3 NAG 148 HO3 ASN 48 -1.996 -10.335 -8.028
581 HO6 NAG 148 H6 ASN 48 -2.384 -9.466 -12.756
Start of MODEL 11
1 1H HIS 1 1H HIS 1 7.222 -13.247 23.643
2 2H HIS 1 2H HIS 1 5.695 -13.986 23.718
3 3H HIS 1 3H HIS 1 6.950 -14.721 22.844
4 HA HIS 1 HA HIS 1 5.627 -12.171 22.251
5 1HB HIS 1 1HB HIS 1 6.958 -12.342 20.080
6 2HB HIS 1 2HB HIS 1 7.903 -11.958 21.501
7 HD2 HIS 1 HD2 HIS 1 9.356 -14.082 22.575
8 HE1 HIS 1 HE1 HIS 1 9.328 -16.467 19.004
9 HE2 HIS 1 HE2 HIS 1 10.443 -16.178 21.306
10 H MET 2 H MET 2 3.497 -14.175 22.348
11 HA MET 2 HA MET 2 3.603 -12.072 20.319
12 1HB MET 2 1HB MET 2 1.489 -13.049 19.205
13 2HB MET 2 2HB MET 2 3.004 -13.832 18.820
14 1HG MET 2 1HG MET 2 1.652 -14.969 21.216
15 2HG MET 2 2HG MET 2 0.736 -15.146 19.729
16 1HE MET 2 1HE MET 2 1.684 -15.787 17.582
17 2HE MET 2 2HE MET 2 2.869 -17.084 17.349
18 3HE MET 2 3HE MET 2 3.413 -15.407 17.516
19 H GLU 3 H GLU 3 0.567 -11.910 20.163
20 HA GLU 3 HA GLU 3 2.003 -9.756 21.456
21 1HB GLU 3 1HB GLU 3 0.306 -8.347 19.992
22 2HB GLU 3 2HB GLU 3 1.548 -9.296 19.179
23 1HG GLU 3 1HG GLU 3 -0.083 -11.136 18.788
24 2HG GLU 3 2HG GLU 3 -1.331 -10.231 19.636
25 HA PRO 4 HA PRO 4 -1.630 -8.049 23.647
26 1HB PRO 4 1HB PRO 4 -0.196 -5.559 23.743
27 2HB PRO 4 2HB PRO 4 -0.597 -6.598 25.106
28 1HG PRO 4 1HG PRO 4 2.002 -6.176 23.891
29 2HG PRO 4 2HG PRO 4 1.615 -7.172 25.293
30 1HD PRO 4 1HD PRO 4 2.261 -8.070 22.591
31 2HD PRO 4 2HD PRO 4 1.924 -9.077 24.010
32 H VAL 5 H VAL 5 -2.848 -5.963 22.816
33 HA VAL 5 HA VAL 5 -2.772 -6.608 19.966
34 HB VAL 5 HB VAL 5 -4.689 -8.012 21.808
35 1HG1 VAL 5 1HG2 VAL 5 -4.061 -8.396 18.861
36 2HG1 VAL 5 2HG2 VAL 5 -4.927 -9.626 19.781
37 3HG1 VAL 5 3HG2 VAL 5 -5.611 -8.010 19.611
38 1HG2 VAL 5 1HG1 VAL 5 -1.938 -8.911 20.998
39 2HG2 VAL 5 2HG1 VAL 5 -2.805 -9.191 22.513
40 3HG2 VAL 5 3HG1 VAL 5 -3.183 -10.149 21.083
41 H ASP 6 H ASP 6 -3.625 -4.086 21.214
42 HA ASP 6 HA ASP 6 -4.657 -2.822 19.546
43 1HB ASP 6 2HB ASP 6 -3.502 -3.278 17.655
44 2HB ASP 6 1HB ASP 6 -2.721 -4.511 18.577
45 HA PRO 7 HA PRO 7 -6.985 -3.953 16.404
46 1HB PRO 7 1HB PRO 7 -7.438 -1.150 16.072
47 2HB PRO 7 2HB PRO 7 -8.644 -2.435 16.100
48 1HG PRO 7 1HG PRO 7 -8.113 -0.431 18.157
49 2HG PRO 7 2HG PRO 7 -9.414 -1.613 18.102
50 1HD PRO 7 1HD PRO 7 -7.016 -1.696 19.748
51 2HD PRO 7 2HD PRO 7 -8.332 -2.881 19.704
52 H CYS 8 H CYS 8 -5.797 -0.735 17.356
53 HA CYS 8 HA CYS 8 -3.902 -0.980 15.173
54 1HB CYS 8 2HB CYS 8 -5.365 1.081 15.614
55 2HB CYS 8 1HB CYS 8 -4.361 1.392 17.027
56 H PHE 9 H PHE 9 -3.734 -0.917 18.733
57 HA PHE 9 HA PHE 9 -1.149 -0.581 19.205
58 1HB PHE 9 2HB PHE 9 -3.155 -1.873 20.434
59 2HB PHE 9 1HB PHE 9 -2.208 -3.280 19.981
60 HD1 PHE 9 HD1 PHE 9 0.023 -3.779 20.794
61 HD2 PHE 9 HD2 PHE 9 -2.162 -0.248 22.127
62 HE1 PHE 9 HE1 PHE 9 1.646 -3.498 22.689
63 HE2 PHE 9 HE2 PHE 9 -0.539 0.036 24.031
64 HZ PHE 9 HZ PHE 9 1.364 -1.590 24.317
65 H ARG 10 H ARG 10 0.701 -2.121 19.318
66 HA ARG 10 HA ARG 10 2.027 -3.749 18.460
67 1HB ARG 10 2HB ARG 10 -0.476 -4.828 18.700
68 2HB ARG 10 1HB ARG 10 0.093 -5.423 17.142
69 1HG ARG 10 1HG ARG 10 1.194 -5.783 19.926
70 2HG ARG 10 2HG ARG 10 0.971 -6.914 18.645
71 1HD ARG 10 1HD ARG 10 3.210 -6.919 18.308
72 2HD ARG 10 2HD ARG 10 2.987 -5.316 17.577
73 HE ARG 10 HE ARG 10 3.148 -4.739 20.227
74 1HH1 ARG 10 2HH2 ARG 10 4.761 -7.509 19.011
75 2HH1 ARG 10 1HH2 ARG 10 6.265 -7.072 19.749
76 1HH2 ARG 10 2HH1 ARG 10 5.647 -3.996 20.625
77 2HH2 ARG 10 1HH1 ARG 10 6.532 -4.440 19.204
78 H ALA 11 H ALA 11 0.699 -1.635 16.602
79 HA ALA 11 HA ALA 11 -0.689 -3.128 14.854
80 1HB ALA 11 1HB ALA 11 -0.279 -0.805 13.246
81 2HB ALA 11 2HB ALA 11 -1.588 -1.099 14.377
82 3HB ALA 11 3HB ALA 11 -0.128 -0.270 14.920
83 H ASN 12 H ASN 12 2.997 -2.949 13.951
84 HA ASN 12 HA ASN 12 1.689 -0.492 13.245
85 1HB ASN 12 1HB ASN 12 4.652 -1.207 12.878
86 2HB ASN 12 2HB ASN 12 3.982 0.414 13.049
87 1HD2 ASN 12 1HD2 ASN 12 3.713 1.279 14.983
88 2HD2 ASN 12 2HD2 ASN 12 4.433 0.535 16.398
89 H CYS 13 H CYS 13 0.412 -1.374 11.191
90 HA CYS 13 HA CYS 13 0.711 -0.461 8.942
91 1HB CYS 13 1HB CYS 13 0.437 1.659 11.146
92 2HB CYS 13 2HB CYS 13 -0.126 1.814 9.478
93 H GLU 14 H GLU 14 2.619 -0.572 7.926
94 HA GLU 14 HA GLU 14 4.764 0.934 7.764
95 1HB GLU 14 1HB GLU 14 3.538 -0.172 5.808
96 2HB GLU 14 2HB GLU 14 2.660 1.316 5.615
97 1HG GLU 14 1HG GLU 14 5.697 1.378 5.698
98 2HG GLU 14 2HG GLU 14 4.870 0.924 4.211
99 H TYR 15 H TYR 15 2.701 3.080 5.928
100 HA TYR 15 HA TYR 15 2.506 5.131 7.799
101 1HB TYR 15 2HB TYR 15 1.549 4.924 5.364
102 2HB TYR 15 1HB TYR 15 0.089 4.311 6.128
103 HD1 TYR 15 HD1 TYR 15 0.224 6.847 4.458
104 HD2 TYR 15 HD2 TYR 15 0.836 6.233 8.733
105 HE1 TYR 15 HE1 TYR 15 -0.503 9.212 4.901
106 HE2 TYR 15 HE2 TYR 15 0.098 8.591 9.179
107 HH TYR 15 HH TYR 15 -1.328 10.392 7.944
108 H GLN 16 H GLN 16 -0.509 4.669 7.716
109 HA GLN 16 HA GLN 16 -0.408 3.643 10.509
110 1HB GLN 16 1HB GLN 16 -0.955 6.160 9.820
111 2HB GLN 16 2HB GLN 16 -2.589 5.524 9.619
112 1HG GLN 16 1HG GLN 16 -2.164 4.492 12.039
113 2HG GLN 16 2HG GLN 16 -0.861 5.662 12.132
114 1HE2 GLN 16 1HE2 GLN 16 -4.523 5.776 11.185
115 2HE2 GLN 16 2HE2 GLN 16 -4.590 6.083 12.911
116 H CYS 17 H CYS 17 -3.175 4.161 10.785
117 HA CYS 17 HA CYS 17 -3.711 1.262 10.468
118 1HB CYS 17 1HB CYS 17 -3.999 3.248 12.644
119 2HB CYS 17 2HB CYS 17 -5.376 2.174 12.546
120 H GLN 18 H GLN 18 -5.856 0.673 9.064
121 HA GLN 18 HA GLN 18 -7.810 2.056 10.751
122 1HB GLN 18 2HB GLN 18 -8.080 0.976 8.303
123 2HB GLN 18 1HB GLN 18 -8.512 -0.452 9.254
124 1HG GLN 18 1HG GLN 18 -10.518 0.927 8.670
125 2HG GLN 18 2HG GLN 18 -10.280 0.854 10.409
126 1HE2 GLN 18 2HE2 GLN 18 -8.198 2.729 8.286
127 2HE2 GLN 18 1HE2 GLN 18 -8.489 4.267 9.075
128 HA PRO 19 HA PRO 19 -8.728 -1.764 12.934
129 1HB PRO 19 1HB PRO 19 -10.920 -0.291 14.168
130 2HB PRO 19 2HB PRO 19 -9.595 -1.110 14.977
131 1HG PRO 19 1HG PRO 19 -9.956 1.711 14.758
132 2HG PRO 19 2HG PRO 19 -8.527 0.880 15.377
133 1HD PRO 19 1HD PRO 19 -8.885 2.222 12.762
134 2HD PRO 19 2HD PRO 19 -7.384 1.687 13.537
135 H LEU 20 H LEU 20 -9.888 -1.948 10.186
136 HA LEU 20 HA LEU 20 -10.342 -4.111 10.781
137 1HB LEU 20 1HB LEU 20 -9.848 -4.505 12.964
138 2HB LEU 20 2HB LEU 20 -10.272 -2.884 13.432
139 HG LEU 20 HG LEU 20 -12.341 -4.962 12.939
140 1HD1 LEU 20 1HD2 LEU 20 -12.196 -5.814 15.137
141 2HD1 LEU 20 2HD2 LEU 20 -10.499 -5.614 14.698
142 3HD1 LEU 20 3HD2 LEU 20 -11.292 -4.419 15.726
143 1HD2 LEU 20 1HD1 LEU 20 -12.383 -2.189 13.768
144 2HD2 LEU 20 2HD1 LEU 20 -13.748 -3.254 13.436
145 3HD2 LEU 20 3HD1 LEU 20 -13.057 -3.186 15.058
146 H ASN 21 H ASN 21 -12.320 -1.975 11.948
147 HA ASN 21 HA ASN 21 -14.984 -2.160 11.680
148 1HB ASN 21 1HB ASN 21 -13.296 -0.300 10.036
149 2HB ASN 21 2HB ASN 21 -14.986 -0.469 9.509
150 1HD2 ASN 21 HD2 ASN 21 -15.700 1.504 10.107
151 H GLN 22 H GLN 22 -14.286 -1.604 8.306
152 HA GLN 22 HA GLN 22 -15.543 -3.903 7.334
153 1HB GLN 22 1HB GLN 22 -13.697 -1.883 6.325
154 2HB GLN 22 2HB GLN 22 -13.184 -3.445 5.735
155 1HG GLN 22 1HG GLN 22 -15.847 -3.682 5.213
156 2HG GLN 22 2HG GLN 22 -15.709 -1.930 5.124
157 1HE2 GLN 22 1HE2 GLN 22 -16.036 -3.909 2.659
158 2HE2 GLN 22 2HE2 GLN 22 -15.548 -2.349 2.021
159 H THR 23 H THR 23 -12.365 -3.514 8.861
160 HA THR 23 HA THR 23 -11.536 -5.271 6.691
161 HB THR 23 HB THR 23 -9.744 -3.501 8.404
162 HG1 THR 23 HG1 THR 23 -10.867 -2.006 7.651
163 1HG2 THR 23 1HG2 THR 23 -9.443 -4.847 5.701
164 2HG2 THR 23 2HG2 THR 23 -8.606 -3.321 5.998
165 3HG2 THR 23 3HG2 THR 23 -8.267 -4.729 7.012
166 H SER 24 H SER 24 -11.742 -5.432 9.849
167 HA SER 24 HA SER 24 -10.518 -5.878 11.649
168 1HB SER 24 1HB SER 24 -9.969 -8.139 12.139
169 2HB SER 24 2HB SER 24 -11.436 -8.128 11.173
170 HG SER 24 HG SER 24 -10.441 -9.058 9.613
171 H TYR 25 H TYR 25 -8.566 -5.775 12.461
172 HA TYR 25 HA TYR 25 -8.490 -3.494 11.057
173 1HB TYR 25 2HB TYR 25 -6.904 -2.547 12.786
174 2HB TYR 25 1HB TYR 25 -8.024 -3.678 13.541
175 HD1 TYR 25 HD1 TYR 25 -4.517 -2.945 12.790
176 HD2 TYR 25 HD2 TYR 25 -7.277 -6.098 13.998
177 HE1 TYR 25 HE1 TYR 25 -2.572 -4.381 13.479
178 HE2 TYR 25 HE2 TYR 25 -5.330 -7.554 14.652
179 HH TYR 25 HH TYR 25 -1.947 -6.350 14.465
180 H LEU 26 H LEU 26 -7.287 -2.288 10.140
181 HA LEU 26 HA LEU 26 -5.340 -3.664 8.430
182 1HB LEU 26 2HB LEU 26 -6.771 -3.218 6.766
183 2HB LEU 26 1HB LEU 26 -7.907 -2.833 8.060
184 HG LEU 26 HG LEU 26 -6.755 -0.424 7.827
185 1HD1 LEU 26 1HD2 LEU 26 -5.486 -1.717 5.715
186 2HD1 LEU 26 2HD2 LEU 26 -6.828 -0.907 4.912
187 3HD1 LEU 26 3HD2 LEU 26 -5.685 0.032 5.866
188 1HD2 LEU 26 1HD1 LEU 26 -8.852 -1.330 5.809
189 2HD2 LEU 26 2HD1 LEU 26 -9.215 -1.135 7.520
190 3HD2 LEU 26 3HD1 LEU 26 -8.705 0.255 6.558
191 H CYS 27 H CYS 27 -4.288 -1.816 6.791
192 HA CYS 27 HA CYS 27 -3.612 0.471 8.542
193 1HB CYS 27 1HB CYS 27 -1.560 -1.208 7.090
194 2HB CYS 27 2HB CYS 27 -1.200 0.368 7.805
195 H VAL 28 H VAL 28 -3.582 2.263 7.712
196 HA VAL 28 HA VAL 28 -4.508 2.569 4.964
197 HB VAL 28 HB VAL 28 -3.803 5.118 5.745
198 1HG1 VAL 28 1HG2 VAL 28 -6.007 4.426 4.825
199 2HG1 VAL 28 2HG2 VAL 28 -6.461 3.773 6.402
200 3HG1 VAL 28 3HG2 VAL 28 -6.191 5.505 6.208
201 1HG2 VAL 28 1HG1 VAL 28 -4.636 5.376 8.134
202 2HG2 VAL 28 2HG1 VAL 28 -4.515 3.622 8.290
203 3HG2 VAL 28 3HG1 VAL 28 -3.071 4.573 7.948
204 H CYS 29 H CYS 29 -2.934 3.620 3.151
205 HA CYS 29 HA CYS 29 -1.059 5.164 4.740
206 1HB CYS 29 1HB CYS 29 -1.283 4.117 1.998
207 2HB CYS 29 2HB CYS 29 -0.335 5.571 2.097
208 H ALA 30 H ALA 30 -0.913 7.107 2.610
209 HA ALA 30 HA ALA 30 -2.672 9.061 3.120
210 1HB ALA 30 1HB ALA 30 -1.930 10.200 1.109
211 2HB ALA 30 2HB ALA 30 -0.590 9.202 1.681
212 3HB ALA 30 3HB ALA 30 -1.565 8.670 0.309
213 H GLU 31 H GLU 31 -4.730 6.971 2.876
214 HA GLU 31 HA GLU 31 -4.062 5.409 0.920
215 1HB GLU 31 1HB GLU 31 -5.725 4.259 1.907
216 2HB GLU 31 2HB GLU 31 -6.274 5.706 2.683
217 1HG GLU 31 1HG GLU 31 -7.702 6.250 0.681
218 2HG GLU 31 2HG GLU 31 -7.241 4.703 -0.025
219 H GLY 32 H GLY 32 -5.732 4.693 -1.156
220 1HA GLY 32 1HA GLY 32 -5.244 5.539 -3.349
221 2HA GLY 32 2HA GLY 32 -4.359 6.903 -2.613
222 H PHE 33 H PHE 33 -3.099 5.643 -0.926
223 HA PHE 33 HA PHE 33 -1.218 3.577 -1.981
224 1HB PHE 33 2HB PHE 33 -1.003 5.933 -0.121
225 2HB PHE 33 1HB PHE 33 -0.118 4.523 0.447
226 HD1 PHE 33 HD1 PHE 33 -0.355 7.103 -2.166
227 HD2 PHE 33 HD2 PHE 33 1.787 3.553 -0.811
228 HE1 PHE 33 HE1 PHE 33 1.611 7.741 -3.605
229 HE2 PHE 33 HE2 PHE 33 3.748 4.186 -2.250
230 HZ PHE 33 HZ PHE 33 3.669 6.288 -3.637
231 H ALA 34 H ALA 34 -1.497 1.597 -1.382
232 HA ALA 34 HA ALA 34 -2.801 0.762 0.986
233 1HB ALA 34 1HB ALA 34 -5.006 0.072 -0.474
234 2HB ALA 34 2HB ALA 34 -4.914 1.630 0.351
235 3HB ALA 34 3HB ALA 34 -4.548 1.517 -1.371
236 HA PRO 35 HA PRO 35 -1.047 -2.338 0.967
237 1HB PRO 35 1HB PRO 35 -2.731 -4.706 0.765
238 2HB PRO 35 2HB PRO 35 -2.137 -3.916 2.220
239 1HG PRO 35 1HG PRO 35 -4.827 -3.855 1.181
240 2HG PRO 35 2HG PRO 35 -4.219 -3.013 2.599
241 1HD PRO 35 2HD PRO 35 -4.929 -1.858 0.026
242 2HD PRO 35 1HD PRO 35 -4.335 -1.007 1.462
243 H ILE 36 H ILE 36 0.090 -1.987 -1.019
244 HA ILE 36 HA ILE 36 0.292 -3.586 -3.107
245 HB ILE 36 HB ILE 36 2.061 -2.397 -2.976
246 1HG1 ILE 36 1HG1 ILE 36 2.706 -5.045 -2.941
247 2HG1 ILE 36 2HG1 ILE 36 3.733 -3.718 -3.416
248 1HG2 ILE 36 1HG2 ILE 36 3.500 -1.986 -0.928
249 2HG2 ILE 36 2HG2 ILE 36 1.817 -1.487 -0.761
250 3HG2 ILE 36 3HG2 ILE 36 2.349 -2.926 0.005
251 1HD1 ILE 36 1HD1 ILE 36 4.570 -5.373 -1.567
252 2HD1 ILE 36 2HD1 ILE 36 4.860 -3.625 -1.385
253 3HD1 ILE 36 3HD1 ILE 36 3.539 -4.365 -0.523
254 HA PRO 37 HA PRO 37 2.983 -6.551 -1.699
255 1HB PRO 37 1HB PRO 37 3.493 -7.348 0.960
256 2HB PRO 37 2HB PRO 37 4.217 -6.006 0.265
257 1HG PRO 37 1HG PRO 37 2.162 -5.858 2.329
258 2HG PRO 37 2HG PRO 37 2.961 -4.519 1.504
259 1HD PRO 37 1HD PRO 37 0.265 -5.654 1.038
260 2HD PRO 37 2HD PRO 37 0.866 -4.067 0.591
261 H HIS 38 H HIS 38 3.352 -9.213 -1.207
262 HA HIS 38 HA HIS 38 2.549 -10.778 0.440
263 1HB HIS 38 1HB HIS 38 3.890 -8.809 2.265
264 2HB HIS 38 2HB HIS 38 4.196 -10.535 2.062
265 HD1 HIS 38 HD1 HIS 38 4.657 -10.083 -1.308
266 HD2 HIS 38 HD2 HIS 38 6.567 -8.338 2.041
267 HE1 HIS 38 HE1 HIS 38 6.928 -9.206 -2.141
268 H GLU 39 H GLU 39 2.082 -7.671 1.394
269 HA GLU 39 HA GLU 39 1.402 -8.940 3.981
270 1HB GLU 39 2HB GLU 39 3.479 -7.034 3.185
271 2HB GLU 39 1HB GLU 39 2.615 -6.426 4.608
272 1HG GLU 39 2HG GLU 39 3.100 -9.235 4.974
273 2HG GLU 39 1HG GLU 39 4.599 -8.519 4.414
274 HA PRO 40 HA PRO 40 -1.675 -5.858 5.212
275 1HB PRO 40 1HB PRO 40 -1.207 -6.739 7.932
276 2HB PRO 40 2HB PRO 40 -2.649 -7.001 6.960
277 1HG PRO 40 1HG PRO 40 -0.649 -8.959 7.699
278 2HG PRO 40 2HG PRO 40 -2.084 -9.219 6.717
279 1HD PRO 40 1HD PRO 40 0.689 -9.064 5.831
280 2HD PRO 40 2HD PRO 40 -0.741 -9.405 4.840
281 H HIS 41 H HIS 41 0.768 -4.441 4.645
282 HA HIS 41 HA HIS 41 -0.817 -2.978 6.562
283 1HB HIS 41 2HB HIS 41 1.356 -1.618 7.232
284 2HB HIS 41 1HB HIS 41 0.965 -3.107 8.080
285 HD1 HIS 41 HD1 HIS 41 2.184 -5.277 5.986
286 HD2 HIS 41 HD2 HIS 41 3.949 -1.613 7.118
287 HE1 HIS 41 HE1 HIS 41 4.695 -5.574 5.637
288 H ARG 42 H ARG 42 1.629 -2.902 4.481
289 HA ARG 42 HA ARG 42 2.009 -0.252 3.847
290 1HB ARG 42 2HB ARG 42 2.286 -2.596 1.949
291 2HB ARG 42 1HB ARG 42 3.078 -1.114 1.610
292 1HG ARG 42 2HG ARG 42 4.626 -1.357 3.345
293 2HG ARG 42 1HG ARG 42 3.493 -2.263 4.334
294 1HD ARG 42 2HD ARG 42 3.985 -4.320 3.178
295 2HD ARG 42 1HD ARG 42 4.665 -3.481 1.775
296 HE ARG 42 HE ARG 42 6.081 -3.172 4.331
297 1HH1 ARG 42 1HH2 ARG 42 5.632 -4.927 1.270
298 2HH1 ARG 42 2HH2 ARG 42 7.106 -5.800 1.527
299 1HH2 ARG 42 2HH1 ARG 42 8.544 -3.108 2.681
300 2HH2 ARG 42 1HH1 ARG 42 8.651 -4.632 3.496
301 H CYS 43 H CYS 43 1.917 0.519 1.748
302 HA CYS 43 HA CYS 43 -0.714 0.353 0.491
303 1HB CYS 43 2HB CYS 43 0.065 2.737 -0.233
304 2HB CYS 43 1HB CYS 43 -0.646 2.341 1.364
305 H GLN 44 H GLN 44 2.403 0.784 -0.176
306 HA GLN 44 HA GLN 44 3.309 2.090 -2.114
307 1HB GLN 44 1HB GLN 44 4.537 0.050 -1.854
308 2HB GLN 44 2HB GLN 44 3.280 -0.894 -2.582
309 1HG GLN 44 1HG GLN 44 3.821 0.774 -4.692
310 2HG GLN 44 2HG GLN 44 5.388 0.799 -3.892
311 1HE2 GLN 44 1HE2 GLN 44 2.812 -1.364 -5.034
312 2HE2 GLN 44 2HE2 GLN 44 3.737 -2.854 -4.945
313 H MET 45 H MET 45 2.749 3.125 -3.866
314 HA MET 45 HA MET 45 0.195 3.792 -3.471
315 1HB MET 45 1HB MET 45 0.034 4.701 -5.909
316 2HB MET 45 2HB MET 45 1.377 5.278 -4.959
317 1HG MET 45 1HG MET 45 2.818 4.492 -6.524
318 2HG MET 45 2HG MET 45 2.258 2.856 -6.262
319 1HE MET 45 1HE MET 45 2.366 1.961 -8.934
320 2HE MET 45 2HE MET 45 2.374 3.283 -10.109
321 3HE MET 45 3HE MET 45 3.440 3.352 -8.696
322 H PHE 46 H PHE 46 -1.742 2.706 -3.452
323 HA PHE 46 HA PHE 46 -2.002 0.241 -3.676
324 1HB PHE 46 1HB PHE 46 -4.143 0.854 -3.225
325 2HB PHE 46 2HB PHE 46 -3.732 2.458 -3.679
326 HD1 PHE 46 HD1 PHE 46 -4.804 3.596 -5.407
327 HD2 PHE 46 HD2 PHE 46 -4.995 -0.761 -5.242
328 HE1 PHE 46 HE1 PHE 46 -6.491 3.596 -7.272
329 HE2 PHE 46 HE2 PHE 46 -6.681 -0.761 -7.093
330 HZ PHE 46 HZ PHE 46 -7.437 1.415 -8.111
331 H CYS 47 H CYS 47 -0.819 -1.016 -4.991
332 HA CYS 47 HA CYS 47 -0.599 0.224 -7.671
333 1HB CYS 47 2HB CYS 47 1.517 0.504 -6.697
334 2HB CYS 47 1HB CYS 47 1.421 -0.975 -5.770
335 H ASN 48 H ASN 48 -2.038 -1.434 -9.144
336 HA ASN 48 HA ASN 48 -3.149 -2.021 -6.679
337 1HB ASN 48 2HB ASN 48 -4.679 -1.630 -8.506
338 2HB ASN 48 1HB ASN 48 -3.920 -2.853 -9.517
339 1HD2 ASN 48 HD2 ASN 48 -5.846 -2.613 -6.344
340 H GLN 49 H GLN 49 -3.611 -5.359 -8.333
341 HA GLN 49 HA GLN 49 -1.180 -4.163 -9.340
342 1HB GLN 49 2HB GLN 49 0.335 -5.983 -8.989
343 2HB GLN 49 1HB GLN 49 -0.495 -5.840 -7.458
344 1HG GLN 49 2HG GLN 49 -1.320 -7.809 -9.656
345 2HG GLN 49 1HG GLN 49 -0.313 -8.229 -8.275
346 1HE2 GLN 49 1HE2 GLN 49 -1.672 -6.816 -6.104
347 2HE2 GLN 49 2HE2 GLN 49 -2.395 -8.391 -5.835
348 H THR 50 H THR 50 -1.366 -4.154 -11.501
349 HA THR 50 HA THR 50 -1.942 -6.864 -12.549
350 HB THR 50 HB THR 50 -2.500 -4.122 -13.760
351 HG1 THR 50 HG1 THR 50 -4.495 -4.893 -13.874
352 1HG2 THR 50 1HG2 THR 50 -1.736 -5.025 -15.760
353 2HG2 THR 50 2HG2 THR 50 -3.325 -5.789 -15.751
354 3HG2 THR 50 3HG2 THR 50 -1.910 -6.690 -15.204
355 H ALA 51 H ALA 51 0.576 -6.997 -11.862
356 HA ALA 51 HA ALA 51 2.211 -5.489 -11.219
357 1HB ALA 51 1HB ALA 51 2.799 -5.537 -14.230
358 2HB ALA 51 2HB ALA 51 3.078 -6.940 -13.193
359 3HB ALA 51 3HB ALA 51 3.969 -5.444 -12.915
360 H CYS 52 H CYS 52 2.645 -3.433 -10.810
361 HA CYS 52 HA CYS 52 1.406 -1.311 -12.228
362 1HB CYS 52 2HB CYS 52 3.715 -1.586 -10.317
363 2HB CYS 52 1HB CYS 52 3.625 -0.090 -11.219
364 HA PRO 53 HA PRO 53 5.091 0.349 -12.484
365 1HB PRO 53 2HB PRO 53 7.567 -0.784 -13.498
366 2HB PRO 53 1HB PRO 53 7.191 -0.328 -11.840
367 1HG PRO 53 2HG PRO 53 7.405 -2.999 -12.902
368 2HG PRO 53 1HG PRO 53 6.961 -2.536 -11.263
369 1HD PRO 53 2HD PRO 53 5.207 -3.578 -13.352
370 2HD PRO 53 1HD PRO 53 4.790 -3.190 -11.675
371 H ALA 54 H ALA 54 6.136 1.843 -13.741
372 HA ALA 54 HA ALA 54 4.277 2.239 -15.590
373 1HB ALA 54 1HB ALA 54 5.941 4.101 -16.571
374 2HB ALA 54 2HB ALA 54 6.914 3.649 -15.173
375 3HB ALA 54 3HB ALA 54 5.272 4.253 -14.947
376 H ASP 55 H ASP 55 4.362 2.557 -18.236
377 HA ASP 55 HA ASP 55 7.104 3.377 -18.262
378 1HB ASP 55 1HB ASP 55 6.648 1.130 -19.660
379 2HB ASP 55 2HB ASP 55 5.937 2.244 -20.816
380 H CYS 56 H CYS 56 5.112 5.526 -17.809
381 HA CYS 56 HA CYS 56 3.355 3.744 -17.887
382 1HB CYS 56 1HB CYS 56 2.256 6.489 -18.295
383 2HB CYS 56 2HB CYS 56 2.106 5.366 -16.930
384 H ASP 57 H ASP 57 0.815 4.040 -19.350
385 HA ASP 57 HA ASP 57 2.557 1.955 -19.176
386 1HB ASP 57 1HB ASP 57 0.132 1.585 -18.992
387 2HB ASP 57 2HB ASP 57 -0.093 1.878 -20.720
388 HA PRO 58 HA PRO 58 2.783 3.839 -23.313
389 1HB PRO 58 2HB PRO 58 0.549 3.498 -25.043
390 2HB PRO 58 1HB PRO 58 2.173 2.896 -25.313
391 1HG PRO 58 2HG PRO 58 -0.217 1.355 -24.594
392 2HG PRO 58 1HG PRO 58 1.354 0.762 -25.121
393 1HD PRO 58 2HD PRO 58 0.283 0.823 -22.417
394 2HD PRO 58 1HD PRO 58 1.847 0.171 -22.938
395 H ASN 59 H ASN 59 -0.942 3.350 -23.043
396 HA ASN 59 HA ASN 59 -0.475 6.090 -23.835
397 1HB ASN 59 2HB ASN 59 -1.927 3.799 -24.863
398 2HB ASN 59 1HB ASN 59 -3.120 5.033 -24.466
399 1HD2 ASN 59 1HD2 ASN 59 -0.866 3.934 -26.773
400 2HD2 ASN 59 2HD2 ASN 59 -0.181 5.449 -27.333
401 H THR 60 H THR 60 -2.274 4.189 -21.906
402 HA THR 60 HA THR 60 -4.500 5.969 -22.586
403 HB THR 60 HB THR 60 -4.672 3.946 -23.731
404 HG1 THR 60 HG1 THR 60 -6.499 3.776 -21.628
405 1HG2 THR 60 1HG2 THR 60 -4.772 1.783 -22.541
406 2HG2 THR 60 2HG2 THR 60 -4.604 2.638 -20.988
407 3HG2 THR 60 3HG2 THR 60 -3.269 2.651 -22.157
408 H GLN 61 H GLN 61 -3.233 6.210 -19.845
409 HA GLN 61 HA GLN 61 -4.849 4.187 -18.435
410 1HB GLN 61 2HB GLN 61 -1.823 4.673 -18.530
411 2HB GLN 61 1HB GLN 61 -2.509 3.642 -17.302
412 1HG GLN 61 2HG GLN 61 -2.828 3.212 -20.303
413 2HG GLN 61 1HG GLN 61 -1.672 2.361 -19.289
414 1HE2 GLN 61 2HE2 GLN 61 -2.832 0.343 -19.993
415 2HE2 GLN 61 1HE2 GLN 61 -4.586 0.321 -19.976
416 H ALA 62 H ALA 62 -4.269 7.294 -17.957
417 HA ALA 62 HA ALA 62 -1.771 7.265 -17.558
418 1HB ALA 62 1HB ALA 62 -3.431 8.877 -15.538
419 2HB ALA 62 2HB ALA 62 -2.735 9.461 -17.049
420 3HB ALA 62 3HB ALA 62 -1.686 9.085 -15.683
421 H SER 63 H SER 63 -1.116 5.245 -17.033
422 HA SER 63 HA SER 63 -1.175 4.594 -14.141
423 1HB SER 63 2HB SER 63 -2.050 2.736 -15.597
424 2HB SER 63 1HB SER 63 -0.551 2.778 -16.547
425 HG SER 63 HG SER 63 -0.272 2.520 -13.847
426 H CYS 64 H CYS 64 0.725 6.628 -15.065
427 HA CYS 64 HA CYS 64 2.348 4.904 -13.285
428 1HB CYS 64 2HB CYS 64 3.250 7.584 -12.941
429 2HB CYS 64 1HB CYS 64 4.064 6.336 -13.847
430 H GLU 65 H GLU 65 0.765 4.408 -11.829
431 HA GLU 65 HA GLU 65 -1.116 6.426 -11.067
432 1HB GLU 65 1HB GLU 65 -0.953 3.630 -11.043
433 2HB GLU 65 2HB GLU 65 -0.904 4.011 -9.344
434 1HG GLU 65 2HG GLU 65 -3.044 4.958 -9.301
435 2HG GLU 65 1HG GLU 65 -2.999 5.397 -11.007
436 H CYS 66 H CYS 66 1.828 6.522 -10.224
437 HA CYS 66 HA CYS 66 2.057 6.046 -7.492
438 1HB CYS 66 1HB CYS 66 3.523 7.278 -9.799
439 2HB CYS 66 2HB CYS 66 3.943 8.034 -8.361
440 HA PRO 67 HA PRO 67 1.022 10.304 -5.877
441 1HB PRO 67 1HB PRO 67 3.819 11.245 -5.825
442 2HB PRO 67 2HB PRO 67 2.680 11.047 -4.475
443 1HG PRO 67 2HG PRO 67 4.888 9.335 -5.115
444 2HG PRO 67 1HG PRO 67 3.654 9.048 -3.895
445 1HD PRO 67 2HD PRO 67 3.996 7.678 -6.427
446 2HD PRO 67 1HD PRO 67 2.765 7.358 -5.205
447 H GLU 68 H GLU 68 1.387 12.578 -6.460
448 HA GLU 68 HA GLU 68 0.018 12.578 -8.729
449 1HB GLU 68 2HB GLU 68 0.502 15.106 -8.908
450 2HB GLU 68 1HB GLU 68 -0.099 14.543 -7.367
451 1HG GLU 68 2HG GLU 68 2.192 14.549 -6.419
452 2HG GLU 68 1HG GLU 68 2.872 14.959 -7.989
453 H GLY 69 H GLY 69 0.945 11.395 -10.450
454 1HA GLY 69 1HA GLY 69 2.158 11.300 -12.445
455 2HA GLY 69 2HA GLY 69 2.849 12.904 -12.049
456 H TYR 70 H TYR 70 4.029 11.237 -9.166
457 HA TYR 70 HA TYR 70 4.824 13.666 -9.850
458 1HB TYR 70 2HB TYR 70 5.725 11.749 -8.018
459 2HB TYR 70 1HB TYR 70 7.185 12.136 -8.894
460 HD1 TYR 70 HD1 TYR 70 8.346 14.229 -8.573
461 HD2 TYR 70 HD2 TYR 70 4.371 13.613 -6.898
462 HE1 TYR 70 HE1 TYR 70 8.588 16.344 -7.229
463 HE2 TYR 70 HE2 TYR 70 4.608 15.728 -5.551
464 HH TYR 70 HH TYR 70 6.817 17.136 -4.642
465 H ILE 71 H ILE 71 6.666 14.742 -10.953
466 HA ILE 71 HA ILE 71 8.257 13.542 -12.854
467 HB ILE 71 HB ILE 71 8.386 15.805 -11.218
468 1HG1 ILE 71 1HG1 ILE 71 9.050 15.129 -13.769
469 2HG1 ILE 71 2HG1 ILE 71 9.340 16.690 -13.039
470 1HG2 ILE 71 1HG2 ILE 71 9.964 14.559 -9.683
471 2HG2 ILE 71 2HG2 ILE 71 10.653 16.017 -10.398
472 3HG2 ILE 71 3HG2 ILE 71 11.094 14.431 -11.031
473 1HD1 ILE 71 1HD1 ILE 71 11.373 14.397 -13.038
474 2HD1 ILE 71 2HD1 ILE 71 11.655 16.030 -12.430
475 3HD1 ILE 71 3HD1 ILE 71 11.398 15.763 -14.153
476 H LEU 72 H LEU 72 10.819 11.902 -11.886
477 HA LEU 72 HA LEU 72 10.075 9.935 -12.772
478 1HB LEU 72 2HB LEU 72 9.318 10.309 -10.076
479 2HB LEU 72 1HB LEU 72 7.777 9.919 -10.806
480 HG LEU 72 HG LEU 72 9.845 8.202 -9.903
481 1HD1 LEU 72 1HD1 LEU 72 7.009 8.087 -10.643
482 2HD1 LEU 72 2HD1 LEU 72 7.886 7.210 -9.387
483 3HD1 LEU 72 3HD1 LEU 72 7.863 6.595 -11.040
484 1HD2 LEU 72 1HD2 LEU 72 10.847 8.228 -12.096
485 2HD2 LEU 72 2HD2 LEU 72 9.284 7.936 -12.866
486 3HD2 LEU 72 3HD2 LEU 72 10.017 6.675 -11.872
487 H ASP 73 H ASP 73 7.299 8.775 -12.699
488 HA ASP 73 HA ASP 73 6.226 8.645 -14.853
489 1HB ASP 73 2HB ASP 73 8.366 10.715 -15.572
490 2HB ASP 73 1HB ASP 73 7.583 9.772 -16.826
491 H ASP 74 H ASP 74 6.532 6.863 -15.924
492 HA ASP 74 HA ASP 74 7.675 5.037 -16.809
493 1HB ASP 74 2HB ASP 74 7.959 6.661 -18.625
494 2HB ASP 74 1HB ASP 74 9.190 7.546 -17.731
495 H GLY 75 H GLY 75 8.672 4.844 -14.031
496 1HA GLY 75 2HA GLY 75 8.592 2.609 -15.391
497 2HA GLY 75 1HA GLY 75 10.214 3.138 -15.863
498 H PHE 76 H PHE 76 8.660 3.376 -13.008
499 HA PHE 76 HA PHE 76 10.486 1.599 -11.482
500 1HB PHE 76 2HB PHE 76 11.880 3.574 -12.141
501 2HB PHE 76 1HB PHE 76 10.754 4.653 -11.343
502 HD1 PHE 76 HD1 PHE 76 11.267 5.394 -9.179
503 HD2 PHE 76 HD2 PHE 76 12.795 1.544 -10.542
504 HE1 PHE 76 HE1 PHE 76 12.535 5.138 -7.023
505 HE2 PHE 76 HE2 PHE 76 14.075 1.289 -8.392
506 HZ PHE 76 HZ PHE 76 13.953 3.089 -6.632
507 H ILE 77 H ILE 77 7.497 1.954 -11.341
508 HA ILE 77 HA ILE 77 7.536 4.550 -11.069
509 HB ILE 77 HB ILE 77 4.982 3.274 -10.235
510 1HG1 ILE 77 2HG1 ILE 77 5.928 3.495 -13.100
511 2HG1 ILE 77 1HG1 ILE 77 6.089 2.034 -12.161
512 1HG2 ILE 77 1HG2 ILE 77 5.670 5.891 -10.724
513 2HG2 ILE 77 2HG2 ILE 77 4.042 5.249 -11.020
514 3HG2 ILE 77 3HG2 ILE 77 5.206 5.376 -12.343
515 1HD1 ILE 77 1HD1 ILE 77 3.701 1.747 -11.980
516 2HD1 ILE 77 2HD1 ILE 77 3.910 2.322 -13.633
517 3HD1 ILE 77 3HD1 ILE 77 3.389 3.435 -12.371
518 H CYS 78 H CYS 78 6.047 2.584 -8.976
519 HA CYS 78 HA CYS 78 7.327 3.739 -6.559
520 1HB CYS 78 2HB CYS 78 4.322 3.216 -6.793
521 2HB CYS 78 1HB CYS 78 5.100 3.440 -5.244
522 H THR 79 H THR 79 4.884 0.895 -7.056
523 HA THR 79 HA THR 79 6.563 0.182 -8.953
524 HB THR 79 HB THR 79 8.199 -1.519 -7.897
525 HG1 THR 79 HG1 THR 79 8.470 -1.513 -5.836
526 1HG2 THR 79 1HG2 THR 79 9.316 0.825 -6.675
527 2HG2 THR 79 2HG2 THR 79 8.404 1.357 -8.091
528 3HG2 THR 79 3HG2 THR 79 9.688 0.161 -8.269
529 H ASP 80 H ASP 80 6.140 -2.104 -9.834
530 HA ASP 80 HA ASP 80 5.645 -3.801 -7.456
531 1HB ASP 80 1HB ASP 80 4.191 -3.907 -9.748
532 2HB ASP 80 2HB ASP 80 5.517 -4.965 -10.254
533 H ILE 81 H ILE 81 7.952 -3.317 -10.293
534 HA ILE 81 HA ILE 81 8.107 -5.236 -11.624
535 HB ILE 81 HB ILE 81 10.111 -5.958 -9.468
536 1HG1 ILE 81 2HG1 ILE 81 10.059 -3.502 -11.223
537 2HG1 ILE 81 1HG1 ILE 81 10.362 -3.616 -9.507
538 1HG2 ILE 81 1HG2 ILE 81 11.004 -7.257 -11.079
539 2HG2 ILE 81 2HG2 ILE 81 11.165 -5.869 -12.161
540 3HG2 ILE 81 3HG2 ILE 81 9.677 -6.814 -12.150
541 1HD1 ILE 81 1HD1 ILE 81 12.597 -3.639 -9.955
542 2HD1 ILE 81 2HD1 ILE 81 12.285 -3.709 -11.688
543 3HD1 ILE 81 3HD1 ILE 81 12.403 -5.201 -10.749
544 H ASP 82 H ASP 82 9.198 -7.778 -10.965
545 HA ASP 82 HA ASP 82 6.949 -9.198 -10.053
546 1HB ASP 82 1HB ASP 82 9.170 -10.026 -11.262
547 2HB ASP 82 2HB ASP 82 9.806 -10.205 -9.632
548 H GLU 83 H GLU 83 9.423 -7.419 -7.949
549 HA GLU 83 HA GLU 83 10.439 -10.003 -7.756
550 1HB GLU 83 1HB GLU 83 12.220 -8.956 -6.776
551 2HB GLU 83 2HB GLU 83 11.341 -7.480 -7.076
552 1HG GLU 83 1HG GLU 83 10.384 -7.531 -4.786
553 2HG GLU 83 2HG GLU 83 11.149 -9.086 -4.479
554 H1 NAG 121 H1 ASN 21 -15.153 2.206 12.934
555 H2 NAG 121 H2 ASN 21 -14.012 3.409 10.570
556 H3 NAG 121 H3 ASN 21 -14.558 5.828 11.168
557 H4 NAG 121 H4 ASN 21 -16.956 6.064 12.119
558 H5 NAG 121 H5 ASN 21 -16.510 3.757 13.882
559 1H6 NAG 121 1H6 ASN 21 -18.926 4.576 12.192
560 2H6 NAG 121 2H6 ASN 21 -18.606 5.152 13.828
561 1H8 NAG 121 1H8 ASN 21 -11.015 1.798 12.003
562 2H8 NAG 121 2H8 ASN 21 -12.726 1.499 12.358
563 3H8 NAG 121 3H8 ASN 21 -12.229 1.966 10.720
564 HN2 NAG 121 HN2 ASN 21 -13.704 4.250 13.390
565 HO4 NAG 121 HO4 ASN 21 -16.126 6.152 14.153
566 HO3 NAG 121 HO3 ASN 21 -15.447 4.529 9.440
567 HO6 NAG 121 H6 ASN 21 -19.232 2.601 12.933
568 H1 NAG 148 H1 ASN 48 -4.299 -4.796 -5.683
569 H2 NAG 148 H2 ASN 48 -6.902 -3.678 -4.622
570 H3 NAG 148 H3 ASN 48 -6.400 -5.501 -2.701
571 H4 NAG 148 H4 ASN 48 -6.029 -7.724 -3.790
572 H5 NAG 148 H5 ASN 48 -4.564 -7.202 -6.059
573 1H6 NAG 148 1H6 ASN 48 -7.422 -7.677 -6.667
574 2H6 NAG 148 2H6 ASN 48 -6.800 -8.732 -5.398
575 1H8 NAG 148 1H8 ASN 48 -3.369 -2.217 -2.564
576 2H8 NAG 148 2H8 ASN 48 -3.649 -0.984 -3.799
577 3H8 NAG 148 3H8 ASN 48 -4.391 -0.816 -2.195
578 HN2 NAG 148 HN2 ASN 48 -4.340 -4.058 -3.196
579 HO4 NAG 148 HO4 ASN 48 -3.773 -7.251 -4.227
580 HO3 NAG 148 HO3 ASN 48 -7.975 -6.801 -3.912
581 HO6 NAG 148 H6 ASN 48 -5.721 -8.322 -7.947
Start of MODEL 12
1 1H HIS 1 1H HIS 1 0.960 -10.857 28.340
2 2H HIS 1 2H HIS 1 1.034 -10.140 26.803
3 3H HIS 1 3H HIS 1 2.382 -10.972 27.417
4 HA HIS 1 HA HIS 1 1.262 -8.733 28.885
5 1HB HIS 1 1HB HIS 1 3.666 -8.424 29.524
6 2HB HIS 1 2HB HIS 1 3.051 -9.999 29.972
7 HD2 HIS 1 HD2 HIS 1 5.947 -10.325 29.823
8 HE1 HIS 1 HE1 HIS 1 5.822 -11.264 25.634
9 HE2 HIS 1 HE2 HIS 1 7.289 -11.362 27.748
10 H MET 2 H MET 2 0.589 -8.499 26.309
11 HA MET 2 HA MET 2 2.216 -6.077 25.857
12 1HB MET 2 2HB MET 2 1.061 -7.885 23.665
13 2HB MET 2 1HB MET 2 1.825 -6.341 23.362
14 1HG MET 2 1HG MET 2 3.911 -7.244 23.486
15 2HG MET 2 2HG MET 2 3.560 -8.030 25.016
16 1HE MET 2 1HE MET 2 5.355 -9.131 22.392
17 2HE MET 2 2HE MET 2 4.189 -8.216 21.421
18 3HE MET 2 3HE MET 2 4.367 -9.962 21.178
19 H GLU 3 H GLU 3 0.903 -4.171 25.015
20 HA GLU 3 HA GLU 3 -0.577 -3.506 23.428
21 1HB GLU 3 2HB GLU 3 -1.324 -5.087 21.837
22 2HB GLU 3 1HB GLU 3 0.060 -5.914 22.545
23 1HG GLU 3 1HG GLU 3 -1.432 -7.242 24.008
24 2HG GLU 3 2HG GLU 3 -2.838 -6.353 23.427
25 HA PRO 4 HA PRO 4 -4.838 -3.589 24.411
26 1HB PRO 4 1HB PRO 4 -4.798 -1.119 22.930
27 2HB PRO 4 2HB PRO 4 -5.299 -1.335 24.602
28 1HG PRO 4 1HG PRO 4 -2.877 -0.072 23.619
29 2HG PRO 4 2HG PRO 4 -3.408 -0.231 25.291
30 1HD PRO 4 2HD PRO 4 -1.294 -1.719 23.942
31 2HD PRO 4 1HD PRO 4 -1.781 -1.850 25.637
32 H VAL 5 H VAL 5 -6.270 -3.498 22.405
33 HA VAL 5 HA VAL 5 -4.490 -5.267 20.826
34 HB VAL 5 HB VAL 5 -7.354 -5.946 21.483
35 1HG1 VAL 5 1HG2 VAL 5 -6.895 -8.003 20.627
36 2HG1 VAL 5 2HG2 VAL 5 -5.478 -7.237 19.909
37 3HG1 VAL 5 3HG2 VAL 5 -5.333 -8.101 21.440
38 1HG2 VAL 5 1HG1 VAL 5 -6.645 -5.653 23.692
39 2HG2 VAL 5 2HG1 VAL 5 -6.222 -7.345 23.429
40 3HG2 VAL 5 3HG1 VAL 5 -4.976 -6.099 23.334
41 H ASP 6 H ASP 6 -5.990 -2.657 20.204
42 HA ASP 6 HA ASP 6 -8.181 -2.219 19.073
43 1HB ASP 6 2HB ASP 6 -5.687 -2.157 17.396
44 2HB ASP 6 1HB ASP 6 -7.224 -1.409 16.885
45 HA PRO 7 HA PRO 7 -6.979 -5.257 15.688
46 1HB PRO 7 1HB PRO 7 -7.147 -3.599 13.365
47 2HB PRO 7 2HB PRO 7 -8.130 -5.023 13.693
48 1HG PRO 7 1HG PRO 7 -8.955 -2.231 13.723
49 2HG PRO 7 2HG PRO 7 -9.962 -3.654 13.953
50 1HD PRO 7 1HD PRO 7 -9.010 -1.787 15.992
51 2HD PRO 7 2HD PRO 7 -10.098 -3.168 16.209
52 H CYS 8 H CYS 8 -6.818 -1.734 15.224
53 HA CYS 8 HA CYS 8 -4.609 -1.933 13.529
54 1HB CYS 8 2HB CYS 8 -5.629 0.161 13.331
55 2HB CYS 8 1HB CYS 8 -5.915 0.289 15.067
56 H PHE 9 H PHE 9 -4.676 -0.789 16.899
57 HA PHE 9 HA PHE 9 -2.443 0.277 17.417
58 1HB PHE 9 1HB PHE 9 -4.024 -0.622 19.170
59 2HB PHE 9 2HB PHE 9 -3.169 -2.171 19.040
60 HD1 PHE 9 HD1 PHE 9 -0.672 -2.289 19.611
61 HD2 PHE 9 HD2 PHE 9 -3.152 1.188 20.489
62 HE1 PHE 9 HE1 PHE 9 1.053 -1.475 21.252
63 HE2 PHE 9 HE2 PHE 9 -1.429 2.006 22.130
64 HZ PHE 9 HZ PHE 9 0.677 0.676 22.510
65 H ARG 10 H ARG 10 -2.594 -2.947 17.406
66 HA ARG 10 HA ARG 10 0.112 -3.617 17.961
67 1HB ARG 10 2HB ARG 10 -2.209 -5.079 17.638
68 2HB ARG 10 1HB ARG 10 -1.213 -5.695 16.306
69 1HG ARG 10 2HG ARG 10 0.538 -5.532 18.524
70 2HG ARG 10 1HG ARG 10 -0.948 -6.164 19.184
71 1HD ARG 10 1HD ARG 10 0.412 -7.305 16.674
72 2HD ARG 10 2HD ARG 10 0.621 -7.984 18.302
73 HE ARG 10 HE ARG 10 -1.704 -8.247 16.589
74 1HH1 ARG 10 2HH2 ARG 10 -0.209 -9.168 19.811
75 2HH1 ARG 10 1HH2 ARG 10 -1.120 -10.576 19.373
76 1HH2 ARG 10 1HH1 ARG 10 -3.452 -7.831 19.003
77 2HH2 ARG 10 2HH1 ARG 10 -3.619 -9.552 18.900
78 H ALA 11 H ALA 11 -0.639 -2.099 15.418
79 HA ALA 11 HA ALA 11 -1.210 -4.013 13.674
80 1HB ALA 11 1HB ALA 11 -1.082 -1.122 13.530
81 2HB ALA 11 2HB ALA 11 -0.699 -1.799 11.944
82 3HB ALA 11 3HB ALA 11 -2.213 -2.215 12.748
83 H ASN 12 H ASN 12 2.267 -3.475 14.156
84 HA ASN 12 HA ASN 12 2.262 -1.327 12.524
85 1HB ASN 12 1HB ASN 12 4.298 -3.020 13.713
86 2HB ASN 12 2HB ASN 12 4.834 -2.611 12.087
87 1HD2 ASN 12 2HD2 ASN 12 4.808 0.024 11.591
88 2HD2 ASN 12 1HD2 ASN 12 6.200 0.044 12.659
89 H CYS 13 H CYS 13 0.691 -2.702 10.371
90 HA CYS 13 HA CYS 13 1.474 -1.409 8.438
91 1HB CYS 13 1HB CYS 13 0.727 0.267 10.898
92 2HB CYS 13 2HB CYS 13 0.599 0.805 9.221
93 H GLU 14 H GLU 14 3.476 -1.407 7.784
94 HA GLU 14 HA GLU 14 5.680 -0.050 8.631
95 1HB GLU 14 1HB GLU 14 5.741 -0.850 6.390
96 2HB GLU 14 2HB GLU 14 4.261 -0.025 5.967
97 1HG GLU 14 1HG GLU 14 5.340 2.044 5.637
98 2HG GLU 14 2HG GLU 14 6.626 1.675 6.782
99 H TYR 15 H TYR 15 3.540 1.863 6.475
100 HA TYR 15 HA TYR 15 3.464 4.108 8.201
101 1HB TYR 15 2HB TYR 15 2.550 3.639 5.709
102 2HB TYR 15 1HB TYR 15 1.022 3.394 6.526
103 HD1 TYR 15 HD1 TYR 15 3.725 5.769 5.621
104 HD2 TYR 15 HD2 TYR 15 -0.063 5.347 7.749
105 HE1 TYR 15 HE1 TYR 15 3.485 8.271 5.696
106 HE2 TYR 15 HE2 TYR 15 -0.302 7.842 7.821
107 HH TYR 15 HH TYR 15 0.598 9.833 7.176
108 H GLN 16 H GLN 16 0.452 3.880 8.064
109 HA GLN 16 HA GLN 16 0.264 2.443 10.666
110 1HB GLN 16 2HB GLN 16 -0.012 5.127 10.332
111 2HB GLN 16 1HB GLN 16 -1.685 4.646 10.090
112 1HG GLN 16 1HG GLN 16 -1.656 3.457 12.297
113 2HG GLN 16 2HG GLN 16 0.028 3.900 12.526
114 1HE2 GLN 16 1HE2 GLN 16 -2.696 5.724 11.161
115 2HE2 GLN 16 2HE2 GLN 16 -2.450 7.170 12.121
116 H CYS 17 H CYS 17 -2.450 3.192 10.812
117 HA CYS 17 HA CYS 17 -3.355 0.625 9.643
118 1HB CYS 17 1HB CYS 17 -4.775 2.180 11.851
119 2HB CYS 17 2HB CYS 17 -4.911 0.467 11.499
120 H GLN 18 H GLN 18 -4.787 0.886 7.662
121 HA GLN 18 HA GLN 18 -7.212 2.167 8.691
122 1HB GLN 18 2HB GLN 18 -6.504 1.484 6.188
123 2HB GLN 18 1HB GLN 18 -7.298 -0.024 6.634
124 1HG GLN 18 1HG GLN 18 -9.270 0.950 6.063
125 2HG GLN 18 2HG GLN 18 -9.115 1.938 7.510
126 1HE2 GLN 18 1HE2 GLN 18 -7.181 3.822 6.987
127 2HE2 GLN 18 2HE2 GLN 18 -6.848 4.052 5.281
128 HA PRO 19 HA PRO 19 -7.684 -1.340 11.640
129 1HB PRO 19 1HB PRO 19 -9.884 0.463 12.430
130 2HB PRO 19 2HB PRO 19 -8.635 -0.288 13.424
131 1HG PRO 19 1HG PRO 19 -8.591 2.386 12.704
132 2HG PRO 19 2HG PRO 19 -7.123 1.447 13.043
133 1HD PRO 19 1HD PRO 19 -8.152 2.404 10.425
134 2HD PRO 19 2HD PRO 19 -6.504 1.934 10.886
135 H LEU 20 H LEU 20 -9.240 -0.913 8.891
136 HA LEU 20 HA LEU 20 -9.698 -3.515 9.066
137 1HB LEU 20 1HB LEU 20 -11.291 -3.586 10.735
138 2HB LEU 20 2HB LEU 20 -12.100 -2.131 10.190
139 HG LEU 20 HG LEU 20 -12.317 -4.076 8.110
140 1HD1 LEU 20 1HD1 LEU 20 -13.002 -6.054 9.072
141 2HD1 LEU 20 2HD1 LEU 20 -11.853 -5.548 10.311
142 3HD1 LEU 20 3HD1 LEU 20 -13.579 -5.273 10.545
143 1HD2 LEU 20 1HD2 LEU 20 -13.889 -2.134 8.943
144 2HD2 LEU 20 2HD2 LEU 20 -14.609 -3.584 8.243
145 3HD2 LEU 20 3HD2 LEU 20 -14.572 -3.376 9.993
146 H ASN 21 H ASN 21 -11.587 -1.098 8.570
147 HA ASN 21 HA ASN 21 -13.532 -1.904 6.939
148 1HB ASN 21 1HB ASN 21 -12.577 0.830 7.417
149 2HB ASN 21 2HB ASN 21 -13.292 0.703 5.794
150 1HD2 ASN 21 HD2 ASN 21 -14.440 2.206 7.984
151 H GLN 22 H GLN 22 -13.706 -1.561 3.789
152 HA GLN 22 HA GLN 22 -13.482 -3.577 5.858
153 1HB GLN 22 1HB GLN 22 -15.098 -4.878 4.437
154 2HB GLN 22 2HB GLN 22 -15.654 -3.252 4.750
155 1HG GLN 22 1HG GLN 22 -14.454 -2.683 2.437
156 2HG GLN 22 2HG GLN 22 -14.599 -4.416 2.160
157 1HE2 GLN 22 2HE2 GLN 22 -15.961 -3.144 0.394
158 2HE2 GLN 22 1HE2 GLN 22 -17.457 -2.371 0.883
159 H THR 23 H THR 23 -11.024 -2.955 4.720
160 HA THR 23 HA THR 23 -10.315 -5.383 3.422
161 HB THR 23 HB THR 23 -8.414 -3.825 5.227
162 HG1 THR 23 HG1 THR 23 -8.109 -2.625 3.170
163 1HG2 THR 23 1HG2 THR 23 -7.966 -5.116 2.482
164 2HG2 THR 23 2HG2 THR 23 -6.728 -4.368 3.491
165 3HG2 THR 23 3HG2 THR 23 -7.518 -5.855 4.019
166 H SER 24 H SER 24 -11.007 -4.554 6.497
167 HA SER 24 HA SER 24 -10.416 -5.251 8.588
168 1HB SER 24 1HB SER 24 -10.510 -7.539 9.134
169 2HB SER 24 2HB SER 24 -11.674 -7.200 7.862
170 HG SER 24 HG SER 24 -9.758 -8.968 7.873
171 H TYR 25 H TYR 25 -8.605 -5.397 9.739
172 HA TYR 25 HA TYR 25 -8.013 -3.226 8.163
173 1HB TYR 25 2HB TYR 25 -6.743 -2.328 10.233
174 2HB TYR 25 1HB TYR 25 -8.187 -3.221 10.714
175 HD1 TYR 25 HD1 TYR 25 -4.592 -2.921 10.973
176 HD2 TYR 25 HD2 TYR 25 -7.888 -5.753 11.340
177 HE1 TYR 25 HE1 TYR 25 -3.125 -4.450 12.332
178 HE2 TYR 25 HE2 TYR 25 -6.425 -7.281 12.704
179 HH TYR 25 HH TYR 25 -3.241 -7.242 12.784
180 H LEU 26 H LEU 26 -6.467 -2.163 7.591
181 HA LEU 26 HA LEU 26 -4.501 -3.859 6.274
182 1HB LEU 26 2HB LEU 26 -5.413 -3.012 4.370
183 2HB LEU 26 1HB LEU 26 -6.700 -2.448 5.437
184 HG LEU 26 HG LEU 26 -5.031 -0.346 5.674
185 1HD1 LEU 26 1HD2 LEU 26 -3.507 -0.070 3.999
186 2HD1 LEU 26 2HD2 LEU 26 -3.694 -1.799 3.694
187 3HD1 LEU 26 3HD2 LEU 26 -4.630 -0.631 2.762
188 1HD2 LEU 26 1HD1 LEU 26 -6.724 -0.507 3.171
189 2HD2 LEU 26 2HD1 LEU 26 -7.498 -0.622 4.747
190 3HD2 LEU 26 3HD1 LEU 26 -6.574 0.821 4.315
191 H CYS 27 H CYS 27 -2.817 -1.942 5.017
192 HA CYS 27 HA CYS 27 -2.188 -0.125 7.262
193 1HB CYS 27 1HB CYS 27 -0.233 -2.076 6.042
194 2HB CYS 27 2HB CYS 27 0.295 -0.662 6.971
195 H VAL 28 H VAL 28 -0.968 1.750 6.782
196 HA VAL 28 HA VAL 28 -2.997 2.454 4.928
197 HB VAL 28 HB VAL 28 -1.055 4.063 6.595
198 1HG1 VAL 28 1HG2 VAL 28 -1.763 5.796 5.248
199 2HG1 VAL 28 2HG2 VAL 28 -3.263 4.974 4.803
200 3HG1 VAL 28 3HG2 VAL 28 -3.145 5.810 6.355
201 1HG2 VAL 28 1HG1 VAL 28 -2.992 2.491 7.643
202 2HG2 VAL 28 2HG1 VAL 28 -2.535 4.042 8.391
203 3HG2 VAL 28 3HG1 VAL 28 -3.961 3.933 7.378
204 H CYS 29 H CYS 29 0.089 2.118 4.460
205 HA CYS 29 HA CYS 29 1.462 4.324 4.076
206 1HB CYS 29 1HB CYS 29 1.651 1.631 2.868
207 2HB CYS 29 2HB CYS 29 2.465 2.801 1.876
208 H ALA 30 H ALA 30 2.559 4.557 2.206
209 HA ALA 30 HA ALA 30 1.427 7.043 1.896
210 1HB ALA 30 1HB ALA 30 3.272 7.457 -0.070
211 2HB ALA 30 2HB ALA 30 3.737 7.279 1.622
212 3HB ALA 30 3HB ALA 30 3.856 5.903 0.526
213 H GLU 31 H GLU 31 -0.665 7.102 0.924
214 HA GLU 31 HA GLU 31 -1.456 4.933 -0.307
215 1HB GLU 31 1HB GLU 31 -2.695 7.172 0.412
216 2HB GLU 31 2HB GLU 31 -2.675 7.504 -1.300
217 1HG GLU 31 1HG GLU 31 -3.586 4.903 -1.307
218 2HG GLU 31 2HG GLU 31 -4.218 5.459 0.242
219 H GLY 32 H GLY 32 -2.246 4.423 -2.524
220 1HA GLY 32 1HA GLY 32 -0.954 3.190 -4.019
221 2HA GLY 32 2HA GLY 32 -0.365 4.783 -4.585
222 H PHE 33 H PHE 33 0.076 3.668 -1.234
223 HA PHE 33 HA PHE 33 2.056 1.773 -2.261
224 1HB PHE 33 2HB PHE 33 2.664 3.969 -0.300
225 2HB PHE 33 1HB PHE 33 3.227 2.334 0.104
226 HD1 PHE 33 HD1 PHE 33 4.031 5.307 -1.689
227 HD2 PHE 33 HD2 PHE 33 4.501 0.975 -1.759
228 HE1 PHE 33 HE1 PHE 33 6.130 5.560 -3.062
229 HE2 PHE 33 HE2 PHE 33 6.588 1.221 -3.141
230 HZ PHE 33 HZ PHE 33 7.410 3.513 -3.788
231 H ALA 34 H ALA 34 0.515 0.271 -2.011
232 HA ALA 34 HA ALA 34 -0.658 -0.025 0.691
233 1HB ALA 34 1HB ALA 34 -1.994 -1.647 -1.349
234 2HB ALA 34 2HB ALA 34 -2.656 -0.272 -0.465
235 3HB ALA 34 3HB ALA 34 -1.782 -0.009 -1.974
236 HA PRO 35 HA PRO 35 0.803 -4.291 1.117
237 1HB PRO 35 1HB PRO 35 -1.720 -5.585 0.306
238 2HB PRO 35 2HB PRO 35 -0.888 -5.650 1.855
239 1HG PRO 35 1HG PRO 35 -3.235 -4.132 1.257
240 2HG PRO 35 2HG PRO 35 -2.284 -4.041 2.735
241 1HD PRO 35 1HD PRO 35 -2.481 -2.059 0.632
242 2HD PRO 35 2HD PRO 35 -1.530 -1.943 2.120
243 H ILE 36 H ILE 36 2.040 -3.579 -0.963
244 HA ILE 36 HA ILE 36 2.228 -5.207 -3.010
245 HB ILE 36 HB ILE 36 4.008 -4.087 -1.948
246 1HG1 ILE 36 1HG1 ILE 36 4.393 -6.695 -2.936
247 2HG1 ILE 36 2HG1 ILE 36 5.515 -5.379 -2.884
248 1HG2 ILE 36 1HG2 ILE 36 5.013 -5.076 0.250
249 2HG2 ILE 36 2HG2 ILE 36 3.540 -4.113 0.317
250 3HG2 ILE 36 3HG2 ILE 36 3.431 -5.864 0.386
251 1HD1 ILE 36 1HD1 ILE 36 5.069 -7.079 -0.421
252 2HD1 ILE 36 2HD1 ILE 36 6.175 -7.603 -1.702
253 3HD1 ILE 36 3HD1 ILE 36 6.464 -6.081 -0.835
254 HA PRO 37 HA PRO 37 2.136 -9.809 -1.845
255 1HB PRO 37 2HB PRO 37 4.973 -9.120 -2.546
256 2HB PRO 37 1HB PRO 37 4.035 -10.529 -3.012
257 1HG PRO 37 1HG PRO 37 4.466 -8.236 -4.626
258 2HG PRO 37 2HG PRO 37 3.233 -9.455 -4.925
259 1HD PRO 37 1HD PRO 37 2.806 -6.717 -4.140
260 2HD PRO 37 2HD PRO 37 1.561 -7.966 -4.312
261 H HIS 38 H HIS 38 5.088 -10.208 -0.644
262 HA HIS 38 HA HIS 38 3.434 -11.701 0.624
263 1HB HIS 38 1HB HIS 38 4.859 -11.503 2.845
264 2HB HIS 38 2HB HIS 38 5.512 -12.242 1.377
265 HD1 HIS 38 HD1 HIS 38 8.025 -11.610 2.332
266 HD2 HIS 38 HD2 HIS 38 5.405 -8.429 1.382
267 HE1 HIS 38 HE1 HIS 38 9.478 -9.493 2.200
268 H GLU 39 H GLU 39 4.450 -9.326 2.571
269 HA GLU 39 HA GLU 39 2.745 -10.236 4.570
270 1HB GLU 39 2HB GLU 39 3.842 -7.404 4.710
271 2HB GLU 39 1HB GLU 39 3.406 -8.427 6.087
272 1HG GLU 39 2HG GLU 39 5.370 -9.727 4.297
273 2HG GLU 39 1HG GLU 39 5.969 -8.215 4.972
274 HA PRO 40 HA PRO 40 -1.009 -7.688 4.460
275 1HB PRO 40 1HB PRO 40 -1.568 -8.617 7.136
276 2HB PRO 40 2HB PRO 40 -2.390 -9.093 5.656
277 1HG PRO 40 1HG PRO 40 -0.531 -10.665 7.240
278 2HG PRO 40 2HG PRO 40 -1.397 -11.162 5.791
279 1HD PRO 40 1HD PRO 40 1.423 -10.494 6.035
280 2HD PRO 40 2HD PRO 40 0.565 -11.022 4.578
281 H HIS 41 H HIS 41 1.659 -6.483 5.138
282 HA HIS 41 HA HIS 41 -0.476 -4.614 5.796
283 1HB HIS 41 2HB HIS 41 1.328 -3.016 6.842
284 2HB HIS 41 1HB HIS 41 0.828 -4.392 7.826
285 HD1 HIS 41 HD1 HIS 41 2.603 -6.759 6.992
286 HD2 HIS 41 HD2 HIS 41 3.892 -2.730 6.995
287 HE1 HIS 41 HE1 HIS 41 5.173 -6.822 7.043
288 H ARG 42 H ARG 42 1.791 -5.450 3.685
289 HA ARG 42 HA ARG 42 3.410 -3.222 4.338
290 1HB ARG 42 1HB ARG 42 3.727 -5.348 2.268
291 2HB ARG 42 2HB ARG 42 4.641 -3.897 1.961
292 1HG ARG 42 1HG ARG 42 5.963 -4.095 3.856
293 2HG ARG 42 2HG ARG 42 4.760 -5.053 4.728
294 1HD ARG 42 1HD ARG 42 5.346 -7.065 3.451
295 2HD ARG 42 2HD ARG 42 6.272 -6.120 2.273
296 HE ARG 42 HE ARG 42 7.298 -7.195 4.645
297 1HH1 ARG 42 2HH1 ARG 42 9.324 -5.542 2.493
298 2HH1 ARG 42 1HH1 ARG 42 8.307 -4.140 2.515
299 1HH2 ARG 42 1HH2 ARG 42 7.806 -4.525 5.898
300 2HH2 ARG 42 2HH2 ARG 42 9.460 -4.729 5.428
301 H CYS 43 H CYS 43 4.244 -1.423 3.049
302 HA CYS 43 HA CYS 43 2.830 -0.993 0.557
303 1HB CYS 43 2HB CYS 43 4.590 1.083 0.792
304 2HB CYS 43 1HB CYS 43 2.968 0.938 1.485
305 H GLN 44 H GLN 44 3.514 -1.812 -1.247
306 HA GLN 44 HA GLN 44 5.908 -0.560 -2.043
307 1HB GLN 44 1HB GLN 44 7.061 -2.519 -1.374
308 2HB GLN 44 2HB GLN 44 5.909 -3.582 -2.136
309 1HG GLN 44 1HG GLN 44 6.767 -2.120 -4.332
310 2HG GLN 44 2HG GLN 44 8.200 -2.036 -3.324
311 1HE2 GLN 44 2HE2 GLN 44 8.454 -4.470 -2.104
312 2HE2 GLN 44 1HE2 GLN 44 7.583 -5.772 -2.893
313 H MET 45 H MET 45 5.355 0.301 -3.893
314 HA MET 45 HA MET 45 3.214 1.398 -3.862
315 1HB MET 45 1HB MET 45 2.963 -0.836 -5.979
316 2HB MET 45 2HB MET 45 1.813 0.471 -5.880
317 1HG MET 45 1HG MET 45 4.579 1.476 -6.086
318 2HG MET 45 2HG MET 45 4.084 0.454 -7.433
319 1HE MET 45 1HE MET 45 4.328 3.267 -8.906
320 2HE MET 45 2HE MET 45 3.933 1.573 -9.233
321 3HE MET 45 3HE MET 45 2.791 2.850 -9.676
322 H PHE 46 H PHE 46 0.331 0.578 -3.797
323 HA PHE 46 HA PHE 46 1.137 -2.144 -4.631
324 1HB PHE 46 2HB PHE 46 -0.174 -2.244 -2.469
325 2HB PHE 46 1HB PHE 46 -1.535 -1.490 -3.283
326 HD1 PHE 46 HD1 PHE 46 -3.229 -3.136 -3.443
327 HD2 PHE 46 HD2 PHE 46 0.878 -4.147 -4.507
328 HE1 PHE 46 HE1 PHE 46 -3.992 -5.400 -4.237
329 HE2 PHE 46 HE2 PHE 46 0.115 -6.407 -5.309
330 HZ PHE 46 HZ PHE 46 -2.320 -7.036 -5.170
331 H CYS 47 H CYS 47 1.093 -1.789 -6.914
332 HA CYS 47 HA CYS 47 0.008 0.813 -7.335
333 1HB CYS 47 2HB CYS 47 1.368 0.891 -9.221
334 2HB CYS 47 1HB CYS 47 2.146 -0.411 -8.354
335 H ASN 48 H ASN 48 -1.506 -2.334 -7.970
336 HA ASN 48 HA ASN 48 -3.731 -2.165 -7.391
337 1HB ASN 48 2HB ASN 48 -3.087 0.328 -6.761
338 2HB ASN 48 1HB ASN 48 -3.797 0.750 -8.317
339 1HD2 ASN 48 HD2 ASN 48 -4.653 1.446 -5.612
340 H GLN 49 H GLN 49 -6.083 -1.527 -9.112
341 HA GLN 49 HA GLN 49 -4.955 -4.069 -8.902
342 1HB GLN 49 2HB GLN 49 -7.124 -4.892 -9.359
343 2HB GLN 49 1HB GLN 49 -7.480 -3.256 -8.863
344 1HG GLN 49 2HG GLN 49 -7.597 -2.527 -11.246
345 2HG GLN 49 1HG GLN 49 -7.175 -4.151 -11.777
346 1HE2 GLN 49 1HE2 GLN 49 -9.597 -2.043 -11.295
347 2HE2 GLN 49 2HE2 GLN 49 -10.960 -3.145 -11.240
348 H THR 50 H THR 50 -4.406 -5.812 -11.157
349 HA THR 50 HA THR 50 -2.528 -4.383 -9.770
350 HB THR 50 HB THR 50 -0.837 -5.567 -11.486
351 HG1 THR 50 HG1 THR 50 -2.510 -5.773 -13.000
352 1HG2 THR 50 1HG2 THR 50 -2.762 -6.989 -9.594
353 2HG2 THR 50 2HG2 THR 50 -1.066 -6.589 -9.322
354 3HG2 THR 50 3HG2 THR 50 -1.499 -7.868 -10.457
355 H ALA 51 H ALA 51 -3.093 -4.355 -13.267
356 HA ALA 51 HA ALA 51 -0.993 -2.999 -14.130
357 1HB ALA 51 1HB ALA 51 -2.953 -3.717 -15.570
358 2HB ALA 51 2HB ALA 51 -2.319 -2.137 -16.028
359 3HB ALA 51 3HB ALA 51 -3.807 -2.248 -15.087
360 H CYS 52 H CYS 52 -0.571 -0.741 -14.782
361 HA CYS 52 HA CYS 52 -0.396 -0.128 -11.935
362 1HB CYS 52 1HB CYS 52 1.352 -1.258 -13.647
363 2HB CYS 52 2HB CYS 52 1.898 0.400 -13.798
364 HA PRO 53 HA PRO 53 1.749 3.484 -13.898
365 1HB PRO 53 2HB PRO 53 0.820 4.459 -16.421
366 2HB PRO 53 1HB PRO 53 2.259 3.481 -16.149
367 1HG PRO 53 2HG PRO 53 -0.318 2.678 -17.276
368 2HG PRO 53 1HG PRO 53 1.213 1.763 -17.225
369 1HD PRO 53 2HD PRO 53 -1.148 1.280 -15.663
370 2HD PRO 53 1HD PRO 53 0.436 0.482 -15.522
371 H ALA 54 H ALA 54 0.241 3.960 -12.376
372 HA ALA 54 HA ALA 54 0.687 6.017 -11.274
373 1HB ALA 54 1HB ALA 54 2.597 7.014 -12.431
374 2HB ALA 54 2HB ALA 54 1.911 6.668 -14.027
375 3HB ALA 54 3HB ALA 54 2.532 5.375 -13.029
376 H ASP 55 H ASP 55 0.965 8.511 -11.925
377 HA ASP 55 HA ASP 55 -1.771 9.189 -12.567
378 1HB ASP 55 1HB ASP 55 -1.271 9.310 -10.056
379 2HB ASP 55 2HB ASP 55 -0.017 10.493 -10.420
380 H CYS 56 H CYS 56 1.256 10.329 -13.334
381 HA CYS 56 HA CYS 56 1.016 10.790 -15.769
382 1HB CYS 56 1HB CYS 56 0.588 8.039 -14.599
383 2HB CYS 56 2HB CYS 56 1.561 8.577 -15.930
384 H ASP 57 H ASP 57 -0.980 8.841 -14.115
385 HA ASP 57 HA ASP 57 -3.087 7.849 -14.312
386 1HB ASP 57 2HB ASP 57 -4.122 9.418 -13.281
387 2HB ASP 57 1HB ASP 57 -2.855 10.481 -13.547
388 HA PRO 58 HA PRO 58 -5.982 8.514 -17.609
389 1HB PRO 58 2HB PRO 58 -7.645 6.926 -15.849
390 2HB PRO 58 1HB PRO 58 -7.233 6.596 -17.526
391 1HG PRO 58 2HG PRO 58 -6.238 5.235 -15.173
392 2HG PRO 58 1HG PRO 58 -5.826 4.910 -16.853
393 1HD PRO 58 2HD PRO 58 -4.176 6.223 -14.838
394 2HD PRO 58 1HD PRO 58 -3.741 5.839 -16.511
395 H ASN 59 H ASN 59 -6.959 7.773 -14.103
396 HA ASN 59 HA ASN 59 -7.662 10.477 -13.860
397 1HB ASN 59 2HB ASN 59 -8.475 9.033 -11.653
398 2HB ASN 59 1HB ASN 59 -9.449 9.310 -13.112
399 1HD2 ASN 59 1HD2 ASN 59 -6.990 7.110 -11.758
400 2HD2 ASN 59 2HD2 ASN 59 -7.933 5.659 -12.042
401 H THR 60 H THR 60 -6.867 8.297 -11.623
402 HA THR 60 HA THR 60 -4.849 10.112 -10.429
403 HB THR 60 HB THR 60 -5.648 8.605 -8.302
404 HG1 THR 60 HG1 THR 60 -8.021 8.698 -8.890
405 1HG2 THR 60 1HG2 THR 60 -5.691 11.097 -8.481
406 2HG2 THR 60 2HG2 THR 60 -7.217 10.479 -7.838
407 3HG2 THR 60 3HG2 THR 60 -7.109 10.997 -9.524
408 H GLN 61 H GLN 61 -5.390 7.252 -9.183
409 HA GLN 61 HA GLN 61 -4.917 5.079 -9.899
410 1HB GLN 61 1HB GLN 61 -3.726 5.575 -11.977
411 2HB GLN 61 2HB GLN 61 -2.392 6.290 -11.191
412 1HG GLN 61 2HG GLN 61 -1.353 4.249 -11.059
413 2HG GLN 61 1HG GLN 61 -2.657 3.590 -10.130
414 1HE2 GLN 61 1HE2 GLN 61 -2.958 4.823 -13.595
415 2HE2 GLN 61 2HE2 GLN 61 -2.106 3.380 -14.112
416 H ALA 62 H ALA 62 -3.493 6.881 -7.709
417 HA ALA 62 HA ALA 62 -1.852 6.798 -6.209
418 1HB ALA 62 1HB ALA 62 -2.642 5.162 -4.712
419 2HB ALA 62 2HB ALA 62 -1.844 3.903 -5.656
420 3HB ALA 62 3HB ALA 62 -3.483 4.411 -6.064
421 H SER 63 H SER 63 0.378 7.295 -6.566
422 HA SER 63 HA SER 63 1.206 6.295 -9.058
423 1HB SER 63 2HB SER 63 -1.579 7.662 -8.956
424 2HB SER 63 1HB SER 63 -0.672 7.487 -10.383
425 HG SER 63 HG SER 63 -0.518 5.219 -9.086
426 H CYS 64 H CYS 64 3.012 8.328 -7.831
427 HA CYS 64 HA CYS 64 2.508 7.207 -10.455
428 1HB CYS 64 2HB CYS 64 4.077 9.808 -10.201
429 2HB CYS 64 1HB CYS 64 4.567 8.664 -11.412
430 H GLU 65 H GLU 65 3.625 5.215 -9.122
431 HA GLU 65 HA GLU 65 4.629 6.894 -7.041
432 1HB GLU 65 1HB GLU 65 3.056 4.775 -6.942
433 2HB GLU 65 2HB GLU 65 4.549 3.910 -6.669
434 1HG GLU 65 2HG GLU 65 3.912 4.450 -4.475
435 2HG GLU 65 1HG GLU 65 4.978 5.804 -4.840
436 H CYS 66 H CYS 66 5.801 3.901 -7.893
437 HA CYS 66 HA CYS 66 8.036 3.998 -6.402
438 1HB CYS 66 1HB CYS 66 8.197 2.273 -8.812
439 2HB CYS 66 2HB CYS 66 8.160 1.852 -7.093
440 HA PRO 67 HA PRO 67 10.129 2.740 -6.623
441 1HB PRO 67 1HB PRO 67 12.703 2.093 -7.808
442 2HB PRO 67 2HB PRO 67 11.295 1.044 -7.588
443 1HG PRO 67 2HG PRO 67 12.292 2.200 -10.063
444 2HG PRO 67 1HG PRO 67 10.975 1.059 -9.839
445 1HD PRO 67 2HD PRO 67 10.779 3.919 -10.410
446 2HD PRO 67 1HD PRO 67 9.462 2.750 -10.273
447 H GLU 68 H GLU 68 12.811 3.259 -5.436
448 HA GLU 68 HA GLU 68 14.310 5.252 -6.326
449 1HB GLU 68 2HB GLU 68 14.727 2.291 -6.358
450 2HB GLU 68 1HB GLU 68 15.853 3.191 -7.346
451 1HG GLU 68 2HG GLU 68 15.345 4.234 -4.565
452 2HG GLU 68 1HG GLU 68 16.296 2.759 -4.716
453 H GLY 69 H GLY 69 14.998 6.260 -8.170
454 1HA GLY 69 1HA GLY 69 14.006 7.284 -10.004
455 2HA GLY 69 2HA GLY 69 14.522 5.759 -10.788
456 H TYR 70 H TYR 70 11.251 5.120 -8.698
457 HA TYR 70 HA TYR 70 10.539 7.210 -7.999
458 1HB TYR 70 2HB TYR 70 12.990 6.565 -7.036
459 2HB TYR 70 1HB TYR 70 13.479 7.965 -7.963
460 HD1 TYR 70 HD1 TYR 70 13.958 9.654 -6.397
461 HD2 TYR 70 HD2 TYR 70 10.281 7.343 -6.008
462 HE1 TYR 70 HE1 TYR 70 13.206 11.166 -4.530
463 HE2 TYR 70 HE2 TYR 70 9.529 8.850 -4.139
464 HH TYR 70 HH TYR 70 11.195 10.599 -2.351
465 H ILE 71 H ILE 71 12.142 10.112 -8.671
466 HA ILE 71 HA ILE 71 9.548 9.610 -7.980
467 HB ILE 71 HB ILE 71 10.477 12.100 -9.483
468 1HG1 ILE 71 1HG1 ILE 71 10.447 12.049 -6.497
469 2HG1 ILE 71 2HG1 ILE 71 11.748 11.193 -7.284
470 1HG2 ILE 71 1HG2 ILE 71 8.426 12.945 -9.109
471 2HG2 ILE 71 2HG2 ILE 71 8.629 12.715 -7.373
472 3HG2 ILE 71 3HG2 ILE 71 7.927 11.430 -8.358
473 1HD1 ILE 71 1HD1 ILE 71 12.816 13.202 -7.489
474 2HD1 ILE 71 2HD1 ILE 71 11.371 14.088 -7.002
475 3HD1 ILE 71 3HD1 ILE 71 11.606 13.647 -8.693
476 H LEU 72 H LEU 72 9.294 7.893 -9.698
477 HA LEU 72 HA LEU 72 9.192 8.445 -12.275
478 1HB LEU 72 2HB LEU 72 8.532 6.166 -10.879
479 2HB LEU 72 1HB LEU 72 6.954 6.654 -11.399
480 HG LEU 72 HG LEU 72 8.704 5.082 -12.783
481 1HD1 LEU 72 1HD1 LEU 72 6.026 5.866 -12.948
482 2HD1 LEU 72 2HD1 LEU 72 6.831 4.698 -13.992
483 3HD1 LEU 72 3HD1 LEU 72 6.701 6.388 -14.486
484 1HD2 LEU 72 1HD2 LEU 72 10.022 7.050 -13.468
485 2HD2 LEU 72 2HD2 LEU 72 8.567 7.780 -14.154
486 3HD2 LEU 72 3HD2 LEU 72 9.217 6.290 -14.859
487 H ASP 73 H ASP 73 6.393 7.553 -13.115
488 HA ASP 73 HA ASP 73 5.464 10.027 -13.971
489 1HB ASP 73 2HB ASP 73 8.436 9.754 -13.952
490 2HB ASP 73 1HB ASP 73 7.752 10.374 -15.464
491 H ASP 74 H ASP 74 4.670 7.774 -14.371
492 HA ASP 74 HA ASP 74 3.459 6.861 -16.214
493 1HB ASP 74 2HB ASP 74 3.281 9.512 -16.289
494 2HB ASP 74 1HB ASP 74 4.477 9.437 -17.574
495 H GLY 75 H GLY 75 6.305 5.861 -16.172
496 1HA GLY 75 1HA GLY 75 4.489 4.203 -16.534
497 2HA GLY 75 2HA GLY 75 4.671 4.529 -18.266
498 H PHE 76 H PHE 76 5.590 2.982 -15.690
499 HA PHE 76 HA PHE 76 8.188 1.908 -16.554
500 1HB PHE 76 2HB PHE 76 7.985 4.563 -15.613
501 2HB PHE 76 1HB PHE 76 8.546 3.700 -14.197
502 HD1 PHE 76 HD1 PHE 76 10.864 3.160 -13.948
503 HD2 PHE 76 HD2 PHE 76 9.269 4.140 -17.886
504 HE1 PHE 76 HE1 PHE 76 13.195 3.130 -14.897
505 HE2 PHE 76 HE2 PHE 76 11.598 4.109 -18.839
506 HZ PHE 76 HZ PHE 76 13.562 3.605 -17.344
507 H ILE 77 H ILE 77 5.745 1.305 -14.748
508 HA ILE 77 HA ILE 77 6.667 3.036 -12.921
509 HB ILE 77 HB ILE 77 4.147 1.585 -12.375
510 1HG1 ILE 77 1HG1 ILE 77 3.674 3.875 -13.644
511 2HG1 ILE 77 2HG1 ILE 77 5.202 3.588 -14.337
512 1HG2 ILE 77 1HG2 ILE 77 3.608 3.691 -11.279
513 2HG2 ILE 77 2HG2 ILE 77 5.025 4.467 -11.954
514 3HG2 ILE 77 3HG2 ILE 77 5.238 3.280 -10.671
515 1HD1 ILE 77 1HD1 ILE 77 4.177 1.088 -14.776
516 2HD1 ILE 77 2HD1 ILE 77 3.917 2.390 -15.934
517 3HD1 ILE 77 3HD1 ILE 77 2.663 1.964 -14.772
518 H CYS 78 H CYS 78 5.285 0.245 -12.131
519 HA CYS 78 HA CYS 78 7.439 -0.720 -10.319
520 1HB CYS 78 2HB CYS 78 4.610 -0.286 -9.555
521 2HB CYS 78 1HB CYS 78 5.161 -1.900 -9.151
522 H THR 79 H THR 79 4.257 -2.463 -11.602
523 HA THR 79 HA THR 79 5.166 -1.140 -13.762
524 HB THR 79 HB THR 79 7.311 -2.465 -13.550
525 HG1 THR 79 HG1 THR 79 6.849 -3.415 -15.835
526 1HG2 THR 79 1HG2 THR 79 5.619 -4.851 -14.452
527 2HG2 THR 79 2HG2 THR 79 6.198 -4.639 -12.799
528 3HG2 THR 79 3HG2 THR 79 7.350 -4.850 -14.119
529 H ASP 80 H ASP 80 2.720 -1.270 -14.464
530 HA ASP 80 HA ASP 80 1.950 -2.504 -16.449
531 1HB ASP 80 2HB ASP 80 2.985 -1.033 -18.124
532 2HB ASP 80 1HB ASP 80 2.772 -0.114 -16.625
533 H ILE 81 H ILE 81 2.316 -4.634 -16.437
534 HA ILE 81 HA ILE 81 4.531 -5.987 -15.977
535 HB ILE 81 HB ILE 81 3.389 -7.356 -18.262
536 1HG1 ILE 81 2HG1 ILE 81 1.302 -6.405 -16.273
537 2HG1 ILE 81 1HG1 ILE 81 1.458 -5.805 -17.907
538 1HG2 ILE 81 1HG2 ILE 81 2.485 -8.466 -15.775
539 2HG2 ILE 81 2HG2 ILE 81 4.138 -7.894 -15.553
540 3HG2 ILE 81 3HG2 ILE 81 3.768 -9.046 -16.835
541 1HD1 ILE 81 1HD1 ILE 81 0.495 -8.507 -16.968
542 2HD1 ILE 81 2HD1 ILE 81 1.332 -8.437 -18.519
543 3HD1 ILE 81 3HD1 ILE 81 -0.131 -7.488 -18.264
544 H ASP 82 H ASP 82 6.675 -5.284 -16.819
545 HA ASP 82 HA ASP 82 7.234 -6.418 -19.334
546 1HB ASP 82 2HB ASP 82 8.941 -5.763 -17.506
547 2HB ASP 82 1HB ASP 82 8.531 -7.262 -16.679
548 H GLU 83 H GLU 83 5.328 -8.202 -16.604
549 HA GLU 83 HA GLU 83 7.951 -9.555 -16.894
550 1HB GLU 83 1HB GLU 83 7.338 -7.548 -15.076
551 2HB GLU 83 2HB GLU 83 6.968 -8.966 -14.125
552 1HG GLU 83 1HG GLU 83 9.572 -9.072 -15.611
553 2HG GLU 83 2HG GLU 83 9.484 -7.902 -14.298
554 H1 NAG 121 H1 ASN 21 -15.444 0.225 9.816
555 H2 NAG 121 H2 ASN 21 -15.390 3.256 9.708
556 H3 NAG 121 H3 ASN 21 -16.539 2.858 12.135
557 H4 NAG 121 H4 ASN 21 -18.557 1.411 11.787
558 H5 NAG 121 H5 ASN 21 -17.805 -0.495 9.969
559 1H6 NAG 121 1H6 ASN 21 -20.062 0.106 9.862
560 2H6 NAG 121 2H6 ASN 21 -19.479 0.878 8.388
561 1H8 NAG 121 1H8 ASN 21 -13.153 0.369 10.056
562 2H8 NAG 121 2H8 ASN 21 -12.552 -0.274 11.597
563 3H8 NAG 121 3H8 ASN 21 -14.021 -0.950 10.867
564 HN2 NAG 121 HN2 ASN 21 -13.735 2.871 11.219
565 HO4 NAG 121 HO4 ASN 21 -17.355 -0.533 11.969
566 HO3 NAG 121 HO3 ASN 21 -18.061 3.968 11.312
567 HO6 NAG 121 H6 ASN 21 -19.125 2.737 9.752
568 H1 NAG 148 H1 ASN 48 -6.736 -0.287 -4.810
569 H2 NAG 148 H2 ASN 48 -6.307 2.708 -4.345
570 H3 NAG 148 H3 ASN 48 -8.175 0.991 -2.686
571 H4 NAG 148 H4 ASN 48 -9.198 2.867 -4.837
572 H5 NAG 148 H5 ASN 48 -8.974 -0.165 -5.044
573 1H6 NAG 148 1H6 ASN 48 -10.470 -0.045 -6.761
574 2H6 NAG 148 2H6 ASN 48 -9.591 1.288 -7.509
575 1H8 NAG 148 1H8 ASN 48 -2.830 2.168 -3.621
576 2H8 NAG 148 2H8 ASN 48 -2.743 1.773 -1.892
577 3H8 NAG 148 3H8 ASN 48 -3.355 0.572 -3.049
578 HN2 NAG 148 HN2 ASN 48 -5.724 0.373 -2.629
579 HO4 NAG 148 HO4 ASN 48 -10.875 2.453 -3.817
580 HO3 NAG 148 HO3 ASN 48 -8.697 2.832 -1.871
581 HO6 NAG 148 H6 ASN 48 -11.718 1.291 -5.788