NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | in_recoord | stage | position | program | type |
|
|
1714 |
1auz   |
cing | recoord | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H SER 1 H SER 1 -11.345 -14.815 1.862
2 HA SER 1 HA SER 1 -10.602 -15.754 -0.215
3 HB SER 1 2HB SER 1 -11.594 -14.283 -2.253
4 HB SER 1 QB SER 1 -11.594 -14.283 -2.253
5 HG SER 1 HG SER 1 -13.505 -16.120 -1.877
6 H LEU 2 H LEU 2 -8.568 -14.883 -0.335
7 HA LEU 2 HA LEU 2 -8.048 -12.326 -1.253
8 HB LEU 2 2HB LEU 2 -8.281 -12.558 1.722
9 HB LEU 2 QB LEU 2 -8.281 -12.558 1.722
10 HG LEU 2 HG LEU 2 -5.921 -11.619 0.796
11 1HD1 LEU 2 1HD1 LEU 2 -7.880 -9.620 0.034
12 2HD1 LEU 2 2HD1 LEU 2 -6.678 -8.956 1.167
13 3HD1 LEU 2 3HD1 LEU 2 -6.143 -9.726 -0.346
14 1HD2 LEU 2 1HD2 LEU 2 -7.607 -11.055 3.168
15 2HD2 LEU 2 2HD2 LEU 2 -5.959 -11.714 3.051
16 3HD2 LEU 2 3HD2 LEU 2 -6.229 -9.962 2.898
17 H GLY 3 H GLY 3 -5.881 -12.177 -1.818
18 1HA GLY 3 1HA GLY 3 -4.272 -14.542 -1.123
19 2HA GLY 3 2HA GLY 3 -4.076 -13.519 -2.532
20 H ILE 4 H ILE 4 -1.764 -13.387 -1.889
21 HA ILE 4 HA ILE 4 -1.156 -10.988 -0.673
22 HB ILE 4 HB ILE 4 -1.963 -12.580 1.305
23 HG1 ILE 4 2HG1 ILE 4 -0.180 -11.228 2.718
24 HG1 ILE 4 QG1 ILE 4 -0.180 -11.228 2.718
25 1HG2 ILE 4 3HG2 ILE 4 -0.192 -14.273 0.728
26 2HG2 ILE 4 1HG2 ILE 4 1.019 -13.087 1.273
27 3HG2 ILE 4 2HG2 ILE 4 -0.193 -13.713 2.418
28 1HD1 ILE 4 2HD1 ILE 4 1.151 -10.718 0.573
29 2HD1 ILE 4 3HD1 ILE 4 -0.211 -9.673 0.101
30 3HD1 ILE 4 1HD1 ILE 4 0.715 -9.315 1.578
31 H ASP 5 H ASP 5 0.883 -10.425 -1.331
32 HA ASP 5 HA ASP 5 2.710 -12.589 -1.904
33 HB ASP 5 2HB ASP 5 2.798 -10.487 -3.966
34 HB ASP 5 QB ASP 5 2.798 -10.487 -3.966
35 HD2 ASP 5 HD ASP 5 1.375 -12.456 -5.646
36 H MET 6 H MET 6 4.950 -11.878 -1.738
37 HA MET 6 HA MET 6 5.318 -9.051 -1.197
38 HB MET 6 2HB MET 6 6.848 -9.782 0.760
39 HB MET 6 QB MET 6 6.848 -9.782 0.760
40 HG MET 6 2HG MET 6 3.839 -10.241 0.803
41 HG MET 6 QG MET 6 3.839 -10.241 0.803
42 1HE MET 6 3HE MET 6 6.043 -8.645 3.104
43 2HE MET 6 1HE MET 6 5.327 -9.160 4.650
44 3HE MET 6 2HE MET 6 6.813 -9.939 4.053
45 H ASN 7 H ASN 7 7.253 -8.222 -2.000
46 HA ASN 7 HA ASN 7 9.258 -10.156 -2.782
47 HB ASN 7 2HB ASN 7 8.092 -8.017 -4.643
48 HB ASN 7 QB ASN 7 8.092 -8.017 -4.643
49 1HD2 ASN 7 2HD2 ASN 7 11.445 -10.323 -5.480
50 2HD2 ASN 7 1HD2 ASN 7 10.263 -10.822 -4.316
51 H VAL 8 H VAL 8 11.415 -9.192 -2.820
52 HA VAL 8 HA VAL 8 11.475 -6.438 -1.793
53 HB VAL 8 HB VAL 8 12.329 -8.749 -0.565
54 1HG1 VAL 8 1HG1 VAL 8 14.188 -9.019 -2.129
55 2HG1 VAL 8 2HG1 VAL 8 14.751 -7.369 -1.774
56 3HG1 VAL 8 3HG1 VAL 8 14.794 -8.617 -0.505
57 1HG2 VAL 8 3HG2 VAL 8 11.968 -6.207 0.160
58 2HG2 VAL 8 1HG2 VAL 8 12.895 -7.353 1.159
59 3HG2 VAL 8 2HG2 VAL 8 13.747 -6.203 0.100
60 H LYS 9 H LYS 9 12.707 -4.946 -2.887
61 HA LYS 9 HA LYS 9 14.532 -5.968 -4.923
62 HB LYS 9 2HB LYS 9 13.468 -5.073 -6.697
63 HB LYS 9 QB LYS 9 13.468 -5.073 -6.697
64 HG LYS 9 2HG LYS 9 11.012 -4.759 -4.951
65 HG LYS 9 QG LYS 9 11.012 -4.759 -4.951
66 HD LYS 9 2HD LYS 9 10.205 -6.261 -6.995
67 HD LYS 9 QD LYS 9 10.205 -6.261 -6.995
68 HE LYS 9 2HE LYS 9 10.841 -3.505 -7.949
69 HE LYS 9 QE LYS 9 10.841 -3.505 -7.949
70 1HZ LYS 9 1HZ LYS 9 8.722 -5.393 -8.069
71 2HZ LYS 9 2HZ LYS 9 8.140 -3.960 -7.560
72 H GLU 10 H GLU 10 16.449 -5.243 -4.139
73 HA GLU 10 HA GLU 10 18.005 -3.873 -3.497
74 HB GLU 10 2HB GLU 10 16.073 -1.879 -4.691
75 HB GLU 10 QB GLU 10 16.073 -1.879 -4.691
76 HG GLU 10 2HG GLU 10 18.349 -1.303 -2.850
77 HG GLU 10 QG GLU 10 18.349 -1.303 -2.850
78 HE2 GLU 10 HE GLU 10 20.484 -0.093 -4.653
79 H SER 11 H SER 11 14.728 -3.393 -2.293
80 HA SER 11 HA SER 11 15.234 -3.579 0.279
81 HB SER 11 2HB SER 11 16.501 -1.810 0.907
82 HB SER 11 QB SER 11 16.501 -1.810 0.907
83 HG SER 11 HG SER 11 16.233 0.222 -0.732
84 H VAL 12 H VAL 12 13.423 -2.633 -2.398
85 HA VAL 12 HA VAL 12 11.193 -1.537 -0.921
86 HB VAL 12 HB VAL 12 11.893 -0.715 -3.154
87 1HG1 VAL 12 2HG1 VAL 12 12.078 -3.392 -3.828
88 2HG1 VAL 12 3HG1 VAL 12 10.584 -2.873 -4.648
89 3HG1 VAL 12 1HG1 VAL 12 12.116 -2.022 -4.965
90 1HG2 VAL 12 2HG2 VAL 12 9.558 -0.485 -2.230
91 2HG2 VAL 12 3HG2 VAL 12 9.677 -0.411 -4.004
92 3HG2 VAL 12 1HG2 VAL 12 9.101 -1.897 -3.212
93 H LEU 13 H LEU 13 9.681 -2.769 0.061
94 HA LEU 13 HA LEU 13 9.622 -5.599 -0.623
95 HB LEU 13 2HB LEU 13 9.365 -5.893 1.538
96 HB LEU 13 QB LEU 13 9.365 -5.893 1.538
97 HG LEU 13 HG LEU 13 10.354 -3.359 1.564
98 1HD1 LEU 13 2HD1 LEU 13 7.712 -2.816 1.849
99 2HD1 LEU 13 3HD1 LEU 13 8.205 -2.965 3.552
100 3HD1 LEU 13 1HD1 LEU 13 9.025 -1.797 2.487
101 1HD2 LEU 13 3HD2 LEU 13 9.897 -5.495 3.503
102 2HD2 LEU 13 1HD2 LEU 13 11.332 -4.478 3.225
103 3HD2 LEU 13 2HD2 LEU 13 10.009 -3.886 4.257
104 H CYS 14 H CYS 14 8.436 -5.855 -2.491
105 HA CYS 14 HA CYS 14 6.121 -4.294 -2.972
106 HB CYS 14 2HB CYS 14 6.093 -5.251 -5.049
107 HB CYS 14 QB CYS 14 6.093 -5.251 -5.049
108 HG CYS 14 HG CYS 14 8.507 -6.220 -5.883
109 H ILE 15 H ILE 15 3.969 -4.793 -2.494
110 HA ILE 15 HA ILE 15 3.504 -7.430 -1.287
111 HB ILE 15 HB ILE 15 2.995 -4.719 -0.234
112 HG1 ILE 15 2HG1 ILE 15 3.366 -7.436 1.063
113 HG1 ILE 15 QG1 ILE 15 3.366 -7.436 1.063
114 1HG2 ILE 15 2HG2 ILE 15 0.907 -6.887 -0.197
115 2HG2 ILE 15 3HG2 ILE 15 1.045 -5.709 1.130
116 3HG2 ILE 15 1HG2 ILE 15 0.725 -5.148 -0.528
117 1HD1 ILE 15 2HD1 ILE 15 5.217 -5.358 0.015
118 2HD1 ILE 15 3HD1 ILE 15 5.542 -5.870 1.689
119 3HD1 ILE 15 1HD1 ILE 15 5.520 -7.074 0.378
120 H ARG 16 H ARG 16 2.574 -8.438 -3.050
121 HA ARG 16 HA ARG 16 0.553 -6.961 -4.471
122 HB ARG 16 2HB ARG 16 0.861 -9.750 -5.310
123 HB ARG 16 QB ARG 16 0.861 -9.750 -5.310
124 HG ARG 16 2HG ARG 16 0.764 -7.064 -6.440
125 HG ARG 16 QG ARG 16 0.764 -7.064 -6.440
126 HD ARG 16 2HD ARG 16 2.993 -8.920 -7.364
127 HD ARG 16 QD ARG 16 2.993 -8.920 -7.364
128 HE ARG 16 HE ARG 16 1.229 -7.372 -9.070
129 1HH1 ARG 16 2HH2 ARG 16 4.623 -8.293 -8.638
130 2HH1 ARG 16 1HH2 ARG 16 5.020 -8.089 -10.312
131 HH2 ARG 16 1HH ARG 16 3.317 -7.390 -11.846
132 H LEU 17 H LEU 17 -1.387 -6.932 -3.320
133 HA LEU 17 HA LEU 17 -2.231 -9.428 -2.059
134 HB LEU 17 2HB LEU 17 -4.065 -7.718 -1.228
135 HB LEU 17 QB LEU 17 -4.065 -7.718 -1.228
136 HG LEU 17 HG LEU 17 -1.265 -8.049 -0.197
137 1HD1 LEU 17 2HD1 LEU 17 -3.221 -5.937 0.628
138 2HD1 LEU 17 3HD1 LEU 17 -2.209 -6.724 1.864
139 3HD1 LEU 17 1HD1 LEU 17 -1.447 -5.870 0.500
140 1HD2 LEU 17 3HD2 LEU 17 -4.025 -8.910 0.620
141 2HD2 LEU 17 1HD2 LEU 17 -2.553 -9.882 0.381
142 3HD2 LEU 17 2HD2 LEU 17 -2.709 -8.841 1.817
143 H THR 18 H THR 18 -3.947 -10.619 -2.797
144 HA THR 18 HA THR 18 -5.579 -9.419 -4.921
145 HB THR 18 HB THR 18 -5.332 -11.918 -5.889
146 HG1 THR 18 1HG THR 18 -3.007 -12.481 -5.370
147 1HG2 THR 18 2HG2 THR 18 -4.449 -9.657 -6.903
148 2HG2 THR 18 3HG2 THR 18 -2.895 -10.112 -6.164
149 3HG2 THR 18 1HG2 THR 18 -3.637 -11.163 -7.395
150 H GLY 19 H GLY 19 -7.616 -9.374 -4.227
151 1HA GLY 19 1HA GLY 19 -9.245 -11.425 -3.731
152 2HA GLY 19 2HA GLY 19 -8.465 -11.247 -2.171
153 H GLU 20 H GLU 20 -9.527 -9.958 -0.739
154 HA GLU 20 HA GLU 20 -11.070 -7.766 -1.897
155 HB GLU 20 2HB GLU 20 -12.233 -8.332 0.594
156 HB GLU 20 QB GLU 20 -12.233 -8.332 0.594
157 HG GLU 20 2HG GLU 20 -13.243 -9.622 -1.951
158 HG GLU 20 QG GLU 20 -13.243 -9.622 -1.951
159 HE1 GLU 20 HE GLU 20 -13.907 -7.309 0.539
160 H LEU 21 H LEU 21 -11.364 -5.863 -0.390
161 HA LEU 21 HA LEU 21 -9.088 -5.670 1.458
162 HB LEU 21 2HB LEU 21 -9.513 -3.103 0.678
163 HB LEU 21 QB LEU 21 -9.513 -3.103 0.678
164 HG LEU 21 HG LEU 21 -7.484 -3.123 -0.399
165 1HD1 LEU 21 3HD1 LEU 21 -7.529 -4.390 1.901
166 2HD1 LEU 21 1HD1 LEU 21 -7.050 -5.784 0.904
167 3HD1 LEU 21 2HD1 LEU 21 -6.041 -4.318 0.928
168 1HD2 LEU 21 2HD2 LEU 21 -8.609 -5.187 -1.932
169 2HD2 LEU 21 3HD2 LEU 21 -7.064 -4.346 -2.202
170 3HD2 LEU 21 1HD2 LEU 21 -7.104 -5.854 -1.257
171 H ASP 22 H ASP 22 -10.495 -6.373 3.185
172 HA ASP 22 HA ASP 22 -12.215 -4.189 4.020
173 HB ASP 22 2HB ASP 22 -14.076 -5.480 3.958
174 HB ASP 22 QB ASP 22 -14.076 -5.480 3.958
175 HD1 ASP 22 HD ASP 22 -11.792 -6.835 1.716
176 H HIS 23 H HIS 23 -12.786 -4.575 6.510
177 HA HIS 23 HA HIS 23 -10.524 -4.578 7.981
178 HB HIS 23 2HB HIS 23 -13.026 -4.042 8.549
179 HB HIS 23 QB HIS 23 -13.026 -4.042 8.549
180 HD1 HIS 23 1HD HIS 23 -12.312 -6.554 11.194
181 HD2 HIS 23 2HD HIS 23 -14.893 -6.162 7.910
182 HE1 HIS 23 1HE HIS 23 -14.113 -8.339 11.483
183 H HIS 24 H HIS 24 -12.126 -7.321 6.524
184 HA HIS 24 HA HIS 24 -10.950 -9.229 8.305
185 HB HIS 24 2HB HIS 24 -11.810 -10.816 6.439
186 HB HIS 24 QB HIS 24 -11.810 -10.816 6.439
187 HD1 HIS 24 1HD HIS 24 -12.743 -11.770 8.688
188 HD2 HIS 24 2HD HIS 24 -14.783 -8.396 7.256
189 HE1 HIS 24 1HE HIS 24 -14.901 -11.613 10.040
190 H THR 25 H THR 25 -10.445 -8.126 4.889
191 HA THR 25 HA THR 25 -8.063 -9.740 4.669
192 HB THR 25 HB THR 25 -8.238 -9.195 2.386
193 HG1 THR 25 1HG THR 25 -7.950 -6.896 2.732
194 1HG2 THR 25 1HG2 THR 25 -10.615 -9.883 3.422
195 2HG2 THR 25 2HG2 THR 25 -11.019 -8.192 3.038
196 3HG2 THR 25 3HG2 THR 25 -10.501 -9.300 1.744
197 H ALA 26 H ALA 26 -8.931 -6.390 5.464
198 HA ALA 26 HA ALA 26 -6.373 -5.303 5.035
199 1HB ALA 26 2HB ALA 26 -8.944 -4.537 6.295
200 2HB ALA 26 3HB ALA 26 -7.509 -3.735 6.977
201 3HB ALA 26 1HB ALA 26 -7.863 -3.598 5.238
202 H GLU 27 H GLU 27 -7.605 -7.544 7.360
203 HA GLU 27 HA GLU 27 -6.065 -6.765 9.551
204 HB GLU 27 2HB GLU 27 -6.512 -9.641 9.465
205 HB GLU 27 QB GLU 27 -6.512 -9.641 9.465
206 HG GLU 27 2HG GLU 27 -6.722 -7.531 11.292
207 HG GLU 27 QG GLU 27 -6.722 -7.531 11.292
208 HE1 GLU 27 HE GLU 27 -10.607 -8.504 11.255
209 H THR 28 H THR 28 -5.529 -9.171 6.895
210 HA THR 28 HA THR 28 -3.189 -10.295 7.721
211 HB THR 28 HB THR 28 -4.719 -9.937 5.267
212 HG1 THR 28 1HG THR 28 -2.566 -11.703 6.202
213 1HG2 THR 28 2HG2 THR 28 -2.622 -8.693 4.514
214 2HG2 THR 28 3HG2 THR 28 -1.680 -10.141 4.943
215 3HG2 THR 28 1HG2 THR 28 -2.898 -10.223 3.646
216 H LEU 29 H LEU 29 -3.598 -7.114 6.068
217 HA LEU 29 HA LEU 29 -0.808 -6.635 5.986
218 HB LEU 29 2HB LEU 29 -3.293 -5.048 5.493
219 HB LEU 29 QB LEU 29 -3.293 -5.048 5.493
220 HG LEU 29 HG LEU 29 -1.886 -3.172 4.670
221 1HD1 LEU 29 1HD1 LEU 29 -3.009 -3.469 7.083
222 2HD1 LEU 29 2HD1 LEU 29 -1.317 -3.249 7.587
223 3HD1 LEU 29 3HD1 LEU 29 -2.120 -2.006 6.599
224 1HD2 LEU 29 1HD2 LEU 29 0.238 -4.818 4.957
225 2HD2 LEU 29 2HD2 LEU 29 0.354 -3.045 4.877
226 3HD2 LEU 29 3HD2 LEU 29 0.370 -3.867 6.455
227 H LYS 30 H LYS 30 -3.350 -6.271 8.405
228 HA LYS 30 HA LYS 30 -2.420 -4.278 9.984
229 HB LYS 30 2HB LYS 30 -3.357 -6.848 11.227
230 HB LYS 30 QB LYS 30 -3.357 -6.848 11.227
231 HG LYS 30 2HG LYS 30 -4.932 -4.860 12.175
232 HG LYS 30 QG LYS 30 -4.932 -4.860 12.175
233 HD LYS 30 2HD LYS 30 -2.817 -6.369 13.169
234 HD LYS 30 QD LYS 30 -2.817 -6.369 13.169
235 HE LYS 30 2HE LYS 30 -1.713 -3.818 12.652
236 HE LYS 30 QE LYS 30 -1.713 -3.818 12.652
237 1HZ LYS 30 1HZ LYS 30 -1.251 -3.325 15.152
238 2HZ LYS 30 2HZ LYS 30 -2.617 -2.741 14.487
239 H GLN 31 H GLN 31 -1.202 -7.666 9.771
240 HA GLN 31 HA GLN 31 0.648 -7.307 11.848
241 HB GLN 31 2HB GLN 31 -0.209 -9.527 11.096
242 HB GLN 31 QB GLN 31 -0.209 -9.527 11.096
243 HG GLN 31 2HG GLN 31 1.729 -9.785 8.889
244 HG GLN 31 QG GLN 31 1.729 -9.785 8.889
245 1HE2 GLN 31 2HE2 GLN 31 -2.204 -11.085 9.190
246 2HE2 GLN 31 1HE2 GLN 31 -1.692 -9.564 9.843
247 H LYS 32 H LYS 32 0.697 -6.803 8.309
248 HA LYS 32 HA LYS 32 3.468 -6.591 8.015
249 HB LYS 32 2HB LYS 32 1.054 -5.793 6.447
250 HB LYS 32 QB LYS 32 1.054 -5.793 6.447
251 HG LYS 32 2HG LYS 32 3.850 -4.667 6.121
252 HG LYS 32 QG LYS 32 3.850 -4.667 6.121
253 HD LYS 32 2HD LYS 32 1.839 -4.863 3.844
254 HD LYS 32 QD LYS 32 1.839 -4.863 3.844
255 HE LYS 32 2HE LYS 32 3.756 -3.096 3.951
256 HE LYS 32 QE LYS 32 3.756 -3.096 3.951
257 1HZ LYS 32 1HZ LYS 32 5.624 -4.302 4.602
258 2HZ LYS 32 2HZ LYS 32 5.257 -5.621 3.721
259 H VAL 33 H VAL 33 1.204 -4.624 9.708
260 HA VAL 33 HA VAL 33 2.367 -2.103 9.283
261 HB VAL 33 HB VAL 33 0.860 -3.151 11.686
262 1HG1 VAL 33 2HG1 VAL 33 2.108 -0.687 11.299
263 2HG1 VAL 33 3HG1 VAL 33 0.399 -0.378 10.912
264 3HG1 VAL 33 1HG1 VAL 33 0.843 -1.064 12.493
265 1HG2 VAL 33 1HG2 VAL 33 -0.093 -3.279 9.165
266 2HG2 VAL 33 2HG2 VAL 33 -1.117 -2.952 10.583
267 3HG2 VAL 33 3HG2 VAL 33 -0.544 -1.606 9.568
268 H THR 34 H THR 34 2.716 -4.460 12.033
269 HA THR 34 HA THR 34 4.721 -3.055 13.349
270 HB THR 34 HB THR 34 3.577 -4.802 14.518
271 HG1 THR 34 1HG THR 34 5.709 -5.108 15.144
272 1HG2 THR 34 2HG2 THR 34 4.332 -6.529 12.114
273 2HG2 THR 34 3HG2 THR 34 3.854 -7.237 13.675
274 3HG2 THR 34 1HG2 THR 34 2.705 -6.226 12.766
275 H GLN 35 H GLN 35 4.906 -5.386 10.630
276 HA GLN 35 HA GLN 35 7.664 -5.676 10.740
277 HB GLN 35 2HB GLN 35 7.332 -6.328 8.249
278 HB GLN 35 QB GLN 35 7.332 -6.328 8.249
279 HG GLN 35 2HG GLN 35 6.113 -7.585 10.682
280 HG GLN 35 QG GLN 35 6.113 -7.585 10.682
281 1HE2 GLN 35 2HE2 GLN 35 3.298 -8.747 8.922
282 2HE2 GLN 35 1HE2 GLN 35 3.916 -7.625 10.089
283 H SER 36 H SER 36 5.526 -3.382 8.942
284 HA SER 36 HA SER 36 7.741 -2.148 7.680
285 HB SER 36 2HB SER 36 5.151 -0.675 7.889
286 HB SER 36 QB SER 36 5.151 -0.675 7.889
287 HG SER 36 HG SER 36 5.548 -0.294 5.735
288 H LEU 37 H LEU 37 5.961 -1.803 10.708
289 HA LEU 37 HA LEU 37 6.390 0.845 11.305
290 HB LEU 37 2HB LEU 37 6.738 -0.728 13.657
291 HB LEU 37 QB LEU 37 6.738 -0.728 13.657
292 HG LEU 37 HG LEU 37 4.197 0.496 12.547
293 1HD1 LEU 37 2HD1 LEU 37 3.951 -1.243 14.358
294 2HD1 LEU 37 3HD1 LEU 37 4.855 -0.146 15.429
295 3HD1 LEU 37 1HD1 LEU 37 3.295 0.367 14.739
296 1HD2 LEU 37 3HD2 LEU 37 6.024 2.141 12.744
297 2HD2 LEU 37 1HD2 LEU 37 4.698 2.450 13.891
298 3HD2 LEU 37 2HD2 LEU 37 6.212 1.706 14.460
299 H GLU 38 H GLU 38 8.612 -1.971 11.552
300 HA GLU 38 HA GLU 38 10.825 -0.267 11.326
301 HB GLU 38 2HB GLU 38 11.746 -1.230 13.672
302 HB GLU 38 QB GLU 38 11.746 -1.230 13.672
303 HG GLU 38 2HG GLU 38 10.863 1.269 12.704
304 HG GLU 38 QG GLU 38 10.863 1.269 12.704
305 HE2 GLU 38 HE GLU 38 9.417 2.244 16.080
306 H LYS 39 H LYS 39 10.969 -1.841 9.541
307 HA LYS 39 HA LYS 39 11.207 -4.598 10.055
308 HB LYS 39 2HB LYS 39 12.041 -2.889 7.695
309 HB LYS 39 QB LYS 39 12.041 -2.889 7.695
310 HG LYS 39 2HG LYS 39 13.029 -5.393 8.176
311 HG LYS 39 QG LYS 39 13.029 -5.393 8.176
312 HD LYS 39 2HD LYS 39 11.523 -6.798 6.511
313 HD LYS 39 QD LYS 39 11.523 -6.798 6.511
314 HE LYS 39 2HE LYS 39 10.498 -6.316 9.346
315 HE LYS 39 QE LYS 39 10.498 -6.316 9.346
316 1HZ LYS 39 1HZ LYS 39 9.582 -8.023 7.497
317 2HZ LYS 39 2HZ LYS 39 10.723 -8.964 8.178
318 H ASP 40 H ASP 40 13.627 -1.950 9.564
319 HA ASP 40 HA ASP 40 15.375 -2.972 11.402
320 HB ASP 40 2HB ASP 40 17.188 -3.567 9.490
321 HB ASP 40 QB ASP 40 17.188 -3.567 9.490
322 HD1 ASP 40 HD ASP 40 16.697 -4.448 11.880
323 H ASP 41 H ASP 41 16.715 -2.218 8.188
324 HA ASP 41 HA ASP 41 17.768 0.212 9.173
325 HB ASP 41 2HB ASP 41 17.740 -1.070 6.403
326 HB ASP 41 QB ASP 41 17.740 -1.070 6.403
327 HD1 ASP 41 HD ASP 41 18.904 2.256 7.640
328 H ILE 42 H ILE 42 16.851 0.399 5.821
329 HA ILE 42 HA ILE 42 14.322 1.701 6.333
330 HB ILE 42 HB ILE 42 16.827 3.158 5.722
331 HG1 ILE 42 2HG1 ILE 42 15.568 4.963 6.920
332 HG1 ILE 42 QG1 ILE 42 15.568 4.963 6.920
333 1HG2 ILE 42 3HG2 ILE 42 14.288 3.534 4.185
334 2HG2 ILE 42 1HG2 ILE 42 15.237 4.965 4.657
335 3HG2 ILE 42 2HG2 ILE 42 15.981 3.693 3.661
336 1HD1 ILE 42 2HD1 ILE 42 13.334 3.347 6.351
337 2HD1 ILE 42 3HD1 ILE 42 13.633 3.097 8.088
338 3HD1 ILE 42 1HD1 ILE 42 13.375 4.742 7.457
339 H ARG 43 H ARG 43 13.560 -0.150 5.133
340 HA ARG 43 HA ARG 43 14.586 -0.508 2.506
341 HB ARG 43 2HB ARG 43 12.216 -1.976 2.638
342 HB ARG 43 QB ARG 43 12.216 -1.976 2.638
343 HG ARG 43 2HG ARG 43 14.165 -3.152 2.019
344 HG ARG 43 QG ARG 43 14.165 -3.152 2.019
345 HD ARG 43 2HD ARG 43 15.378 -1.605 4.243
346 HD ARG 43 QD ARG 43 15.378 -1.605 4.243
347 HE ARG 43 HE ARG 43 16.009 -3.644 5.286
348 1HH1 ARG 43 2HH2 ARG 43 16.736 -3.733 1.819
349 2HH1 ARG 43 1HH2 ARG 43 17.731 -5.146 1.937
350 HH2 ARG 43 1HH ARG 43 18.063 -6.173 4.077
351 H HIS 44 H HIS 44 12.112 -1.141 1.115
352 HA HIS 44 HA HIS 44 10.717 1.422 1.129
353 HB HIS 44 2HB HIS 44 10.733 1.318 -1.400
354 HB HIS 44 QB HIS 44 10.733 1.318 -1.400
355 HD1 HIS 44 1HD HIS 44 11.768 3.290 0.776
356 HD2 HIS 44 2HD HIS 44 14.201 1.418 -2.082
357 HE1 HIS 44 1HE HIS 44 13.847 4.752 0.539
358 H ILE 45 H ILE 45 8.553 1.299 0.075
359 HA ILE 45 HA ILE 45 7.497 -1.426 0.346
360 HB ILE 45 HB ILE 45 5.328 -0.280 0.750
361 HG1 ILE 45 2HG1 ILE 45 6.669 2.276 1.418
362 HG1 ILE 45 QG1 ILE 45 6.669 2.276 1.418
363 1HG2 ILE 45 3HG2 ILE 45 7.666 -0.356 2.513
364 2HG2 ILE 45 1HG2 ILE 45 6.429 0.818 3.021
365 3HG2 ILE 45 2HG2 ILE 45 5.993 -0.893 2.793
366 1HD1 ILE 45 1HD1 ILE 45 7.579 1.742 -0.870
367 2HD1 ILE 45 2HD1 ILE 45 5.907 1.558 -1.449
368 3HD1 ILE 45 3HD1 ILE 45 6.477 3.140 -0.864
369 H VAL 46 H VAL 46 5.662 -1.982 -1.142
370 HA VAL 46 HA VAL 46 5.434 -0.425 -3.536
371 HB VAL 46 HB VAL 46 7.248 -2.742 -3.358
372 1HG1 VAL 46 1HG1 VAL 46 5.300 -2.479 -5.673
373 2HG1 VAL 46 2HG1 VAL 46 6.743 -3.522 -5.655
374 3HG1 VAL 46 3HG1 VAL 46 5.406 -3.831 -4.520
375 1HG2 VAL 46 1HG2 VAL 46 7.754 -0.295 -4.009
376 2HG2 VAL 46 2HG2 VAL 46 8.467 -1.592 -4.998
377 3HG2 VAL 46 3HG2 VAL 46 7.034 -0.712 -5.583
378 H LEU 47 H LEU 47 3.243 -0.420 -2.649
379 HA LEU 47 HA LEU 47 1.910 -2.964 -2.447
380 HB LEU 47 2HB LEU 47 -0.066 -1.524 -1.948
381 HB LEU 47 QB LEU 47 -0.066 -1.524 -1.948
382 HG LEU 47 HG LEU 47 0.776 -0.478 0.160
383 1HD1 LEU 47 1HD1 LEU 47 1.522 -3.364 -0.380
384 2HD1 LEU 47 2HD1 LEU 47 1.426 -2.627 1.238
385 3HD1 LEU 47 3HD1 LEU 47 -0.031 -2.738 0.223
386 1HD2 LEU 47 3HD2 LEU 47 3.047 0.075 -0.768
387 2HD2 LEU 47 1HD2 LEU 47 3.046 -0.675 0.846
388 3HD2 LEU 47 2HD2 LEU 47 3.467 -1.646 -0.585
389 H ASN 48 H ASN 48 0.096 -3.619 -3.775
390 HA ASN 48 HA ASN 48 -0.736 -2.206 -5.979
391 HB ASN 48 2HB ASN 48 1.578 -2.607 -6.853
392 HB ASN 48 QB ASN 48 1.578 -2.607 -6.853
393 1HD2 ASN 48 2HD2 ASN 48 2.298 -5.825 -5.059
394 2HD2 ASN 48 1HD2 ASN 48 1.596 -4.302 -4.627
395 H LEU 49 H LEU 49 -2.805 -3.106 -5.843
396 HA LEU 49 HA LEU 49 -2.997 -5.981 -5.362
397 HB LEU 49 2HB LEU 49 -5.544 -4.833 -5.303
398 HB LEU 49 QB LEU 49 -5.544 -4.833 -5.303
399 HG LEU 49 HG LEU 49 -3.729 -6.074 -3.395
400 1HD1 LEU 49 2HD1 LEU 49 -5.229 -3.635 -2.534
401 2HD1 LEU 49 3HD1 LEU 49 -5.150 -5.031 -1.431
402 3HD1 LEU 49 1HD1 LEU 49 -3.650 -4.262 -2.002
403 1HD2 LEU 49 1HD2 LEU 49 -5.813 -7.047 -4.380
404 2HD2 LEU 49 2HD2 LEU 49 -5.727 -7.126 -2.604
405 3HD2 LEU 49 3HD2 LEU 49 -6.752 -5.902 -3.392
406 H GLU 50 H GLU 50 -3.449 -7.350 -7.001
407 HA GLU 50 HA GLU 50 -4.083 -6.160 -9.537
408 HB GLU 50 2HB GLU 50 -3.986 -9.082 -9.527
409 HB GLU 50 QB GLU 50 -3.986 -9.082 -9.527
410 HG GLU 50 2HG GLU 50 -1.690 -7.532 -10.591
411 HG GLU 50 QG GLU 50 -1.690 -7.532 -10.591
412 HE1 GLU 50 HE GLU 50 -1.100 -9.652 -11.112
413 H ASP 51 H ASP 51 -5.678 -7.749 -6.870
414 HA ASP 51 HA ASP 51 -8.021 -8.103 -8.571
415 HB ASP 51 2HB ASP 51 -7.201 -9.549 -6.010
416 HB ASP 51 QB ASP 51 -7.201 -9.549 -6.010
417 HD2 ASP 51 HD ASP 51 -9.459 -11.620 -5.799
418 H LEU 52 H LEU 52 -8.001 -5.595 -7.935
419 HA LEU 52 HA LEU 52 -8.925 -5.157 -5.216
420 HB LEU 52 2HB LEU 52 -8.700 -2.983 -7.241
421 HB LEU 52 QB LEU 52 -8.700 -2.983 -7.241
422 HG LEU 52 HG LEU 52 -8.034 -1.611 -5.511
423 1HD1 LEU 52 2HD1 LEU 52 -10.366 -2.926 -5.191
424 2HD1 LEU 52 3HD1 LEU 52 -9.576 -3.322 -3.646
425 3HD1 LEU 52 1HD1 LEU 52 -9.809 -1.621 -4.118
426 1HD2 LEU 52 3HD2 LEU 52 -7.031 -4.113 -4.183
427 2HD2 LEU 52 1HD2 LEU 52 -6.160 -2.617 -4.595
428 3HD2 LEU 52 2HD2 LEU 52 -7.309 -2.632 -3.236
429 H SER 53 H SER 53 -11.031 -5.585 -4.820
430 HA SER 53 HA SER 53 -12.900 -4.665 -6.860
431 HB SER 53 2HB SER 53 -12.913 -7.235 -5.244
432 HB SER 53 QB SER 53 -12.913 -7.235 -5.244
433 HG SER 53 HG SER 53 -15.077 -7.558 -6.173
434 H PHE 54 H PHE 54 -13.620 -6.194 -3.688
435 HA PHE 54 HA PHE 54 -15.472 -4.396 -2.877
436 HB PHE 54 2HB PHE 54 -13.348 -6.023 -1.367
437 HB PHE 54 QB PHE 54 -13.348 -6.023 -1.367
438 HD1 PHE 54 2HD PHE 54 -16.899 -5.625 -0.506
439 HD2 PHE 54 1HD PHE 54 -12.908 -4.629 0.538
440 HE1 PHE 54 2HE PHE 54 -17.691 -4.790 1.725
441 HE2 PHE 54 1HE PHE 54 -13.700 -3.794 2.768
442 HZ PHE 54 HZ PHE 54 -16.081 -3.885 3.335
443 H MET 55 H MET 55 -12.220 -4.460 -1.275
444 HA MET 55 HA MET 55 -11.256 -2.830 -0.125
445 HB MET 55 2HB MET 55 -11.347 -2.140 -3.048
446 HB MET 55 QB MET 55 -11.347 -2.140 -3.048
447 HG MET 55 2HG MET 55 -9.602 -0.212 -1.885
448 HG MET 55 QG MET 55 -9.602 -0.212 -1.885
449 1HE MET 55 3HE MET 55 -12.976 -1.277 -2.877
450 2HE MET 55 1HE MET 55 -13.556 -0.146 -4.123
451 3HE MET 55 2HE MET 55 -12.340 -1.378 -4.536
452 H ASP 56 H ASP 56 -12.902 -2.154 1.375
453 HA ASP 56 HA ASP 56 -14.482 0.110 0.500
454 HB ASP 56 2HB ASP 56 -14.678 -1.162 3.240
455 HB ASP 56 QB ASP 56 -14.678 -1.162 3.240
456 HD2 ASP 56 HD ASP 56 -16.843 -0.741 4.103
457 H SER 57 H SER 57 -14.769 0.824 3.507
458 HA SER 57 HA SER 57 -12.345 2.398 3.607
459 HB SER 57 2HB SER 57 -15.080 2.613 4.884
460 HB SER 57 QB SER 57 -15.080 2.613 4.884
461 HG SER 57 HG SER 57 -14.327 4.298 6.209
462 H SER 58 H SER 58 -12.527 -0.562 4.282
463 HA SER 58 HA SER 58 -12.190 -0.538 7.138
464 HB SER 58 2HB SER 58 -12.613 -2.785 7.042
465 HB SER 58 QB SER 58 -12.613 -2.785 7.042
466 HG SER 58 HG SER 58 -14.189 -3.041 5.614
467 H GLY 59 H GLY 59 -10.298 -1.534 4.190
468 1HA GLY 59 1HA GLY 59 -7.843 -1.657 5.733
469 2HA GLY 59 2HA GLY 59 -8.066 -2.030 4.035
470 H LEU 60 H LEU 60 -9.688 0.730 3.993
471 HA LEU 60 HA LEU 60 -7.774 2.226 2.741
472 HB LEU 60 2HB LEU 60 -9.852 3.700 4.244
473 HB LEU 60 QB LEU 60 -9.852 3.700 4.244
474 HG LEU 60 HG LEU 60 -10.515 4.319 1.845
475 1HD1 LEU 60 2HD1 LEU 60 -9.048 5.609 3.597
476 2HD1 LEU 60 3HD1 LEU 60 -7.735 5.265 2.445
477 3HD1 LEU 60 1HD1 LEU 60 -9.168 6.179 1.915
478 1HD2 LEU 60 2HD2 LEU 60 -9.198 2.375 0.864
479 2HD2 LEU 60 3HD2 LEU 60 -9.008 3.958 0.070
480 3HD2 LEU 60 1HD2 LEU 60 -7.738 3.349 1.159
481 H GLY 61 H GLY 61 -8.673 2.158 6.232
482 1HA GLY 61 1HA GLY 61 -6.766 4.216 6.899
483 2HA GLY 61 2HA GLY 61 -7.758 3.272 7.993
484 H VAL 62 H VAL 62 -6.941 0.632 6.862
485 HA VAL 62 HA VAL 62 -4.703 0.201 8.503
486 HB VAL 62 HB VAL 62 -6.670 -1.305 7.330
487 1HG1 VAL 62 3HG1 VAL 62 -4.037 -2.025 5.998
488 2HG1 VAL 62 1HG1 VAL 62 -5.504 -3.034 5.986
489 3HG1 VAL 62 2HG1 VAL 62 -5.514 -1.440 5.195
490 1HG2 VAL 62 1HG2 VAL 62 -4.530 -1.636 9.207
491 2HG2 VAL 62 2HG2 VAL 62 -6.069 -2.524 9.095
492 3HG2 VAL 62 3HG2 VAL 62 -4.640 -3.103 8.205
493 H ILE 63 H ILE 63 -5.119 1.122 5.113
494 HA ILE 63 HA ILE 63 -2.380 0.457 4.476
495 HB ILE 63 HB ILE 63 -4.806 1.331 3.019
496 HG1 ILE 63 2HG1 ILE 63 -3.118 -0.960 3.185
497 HG1 ILE 63 QG1 ILE 63 -3.118 -0.960 3.185
498 1HG2 ILE 63 1HG2 ILE 63 -2.012 2.100 2.181
499 2HG2 ILE 63 2HG2 ILE 63 -3.323 1.849 1.002
500 3HG2 ILE 63 3HG2 ILE 63 -3.479 3.106 2.253
501 1HD1 ILE 63 3HD1 ILE 63 -5.769 -0.319 2.603
502 2HD1 ILE 63 1HD1 ILE 63 -5.151 -0.924 1.047
503 3HD1 ILE 63 2HD1 ILE 63 -5.053 -1.945 2.501
504 H LEU 64 H LEU 64 -4.385 3.267 5.380
505 HA LEU 64 HA LEU 64 -2.462 5.209 4.686
506 HB LEU 64 2HB LEU 64 -4.260 5.902 6.876
507 HB LEU 64 QB LEU 64 -4.260 5.902 6.876
508 HG LEU 64 HG LEU 64 -3.215 7.201 4.635
509 1HD1 LEU 64 3HD1 LEU 64 -4.989 6.187 3.254
510 2HD1 LEU 64 1HD1 LEU 64 -6.216 6.932 4.307
511 3HD1 LEU 64 2HD1 LEU 64 -5.124 7.959 3.347
512 1HD2 LEU 64 2HD2 LEU 64 -4.753 7.805 7.007
513 2HD2 LEU 64 3HD2 LEU 64 -3.555 8.796 6.141
514 3HD2 LEU 64 1HD2 LEU 64 -5.264 8.831 5.643
515 H GLY 65 H GLY 65 -3.010 3.120 7.520
516 1HA GLY 65 1HA GLY 65 -1.427 4.488 9.379
517 2HA GLY 65 2HA GLY 65 -1.799 2.776 9.381
518 H ARG 66 H ARG 66 -0.612 2.349 6.633
519 HA ARG 66 HA ARG 66 1.988 1.819 7.543
520 HB ARG 66 2HB ARG 66 1.598 1.720 4.609
521 HB ARG 66 QB ARG 66 1.598 1.720 4.609
522 HG ARG 66 2HG ARG 66 3.213 0.393 6.231
523 HG ARG 66 QG ARG 66 3.213 0.393 6.231
524 HD ARG 66 2HD ARG 66 2.352 -1.353 7.434
525 HD ARG 66 QD ARG 66 2.352 -1.353 7.434
526 HE ARG 66 HE ARG 66 -0.424 -0.424 6.997
527 1HH1 ARG 66 2HH2 ARG 66 2.588 -0.025 8.819
528 2HH1 ARG 66 1HH2 ARG 66 1.832 0.833 10.121
529 HH2 ARG 66 1HH ARG 66 -0.526 1.252 10.037
530 H TYR 67 H TYR 67 0.521 4.138 5.179
531 HA TYR 67 HA TYR 67 2.766 5.239 4.098
532 HB TYR 67 2HB TYR 67 0.537 7.036 5.094
533 HB TYR 67 QB TYR 67 0.537 7.036 5.094
534 HD1 TYR 67 1HD TYR 67 0.673 5.462 1.760
535 HD2 TYR 67 2HD TYR 67 1.724 8.898 4.082
536 HE1 TYR 67 1HE TYR 67 1.186 6.752 -0.369
537 HE2 TYR 67 2HE TYR 67 2.232 10.177 1.945
538 HH TYR 67 HH TYR 67 2.019 10.181 -0.241
539 H LYS 68 H LYS 68 1.187 6.067 7.248
540 HA LYS 68 HA LYS 68 3.241 8.025 7.780
541 HB LYS 68 2HB LYS 68 1.939 8.645 9.648
542 HB LYS 68 QB LYS 68 1.939 8.645 9.648
543 HG LYS 68 2HG LYS 68 -0.519 8.423 8.643
544 HG LYS 68 QG LYS 68 -0.519 8.423 8.643
545 HD LYS 68 2HD LYS 68 1.522 10.274 8.358
546 HD LYS 68 QD LYS 68 1.522 10.274 8.358
547 HE LYS 68 2HE LYS 68 0.478 9.887 5.545
548 HE LYS 68 QE LYS 68 0.478 9.887 5.545
549 1HZ LYS 68 1HZ LYS 68 2.237 11.308 5.050
550 2HZ LYS 68 2HZ LYS 68 1.803 11.886 6.510
551 H GLN 69 H GLN 69 3.480 4.846 7.557
552 HA GLN 69 HA GLN 69 4.854 4.555 10.111
553 HB GLN 69 2HB GLN 69 4.538 2.087 8.556
554 HB GLN 69 QB GLN 69 4.538 2.087 8.556
555 HG GLN 69 2HG GLN 69 4.988 2.445 11.089
556 HG GLN 69 QG GLN 69 4.988 2.445 11.089
557 1HE2 GLN 69 2HE2 GLN 69 1.457 2.549 12.772
558 2HE2 GLN 69 1HE2 GLN 69 2.350 1.193 12.169
559 H ILE 70 H ILE 70 5.086 3.912 6.555
560 HA ILE 70 HA ILE 70 7.833 3.160 6.746
561 HB ILE 70 HB ILE 70 6.177 2.324 5.066
562 HG1 ILE 70 2HG1 ILE 70 8.795 3.510 4.109
563 HG1 ILE 70 QG1 ILE 70 8.795 3.510 4.109
564 1HG2 ILE 70 1HG2 ILE 70 6.587 5.065 3.840
565 2HG2 ILE 70 2HG2 ILE 70 5.790 3.684 3.050
566 3HG2 ILE 70 3HG2 ILE 70 5.071 4.412 4.507
567 1HD1 ILE 70 3HD1 ILE 70 8.080 1.283 5.809
568 2HD1 ILE 70 1HD1 ILE 70 8.751 0.656 4.285
569 3HD1 ILE 70 2HD1 ILE 70 9.698 1.795 5.272
570 H LYS 71 H LYS 71 6.024 6.147 6.555
571 HA LYS 71 HA LYS 71 8.200 7.645 5.433
572 HB LYS 71 2HB LYS 71 6.478 9.499 6.451
573 HB LYS 71 QB LYS 71 6.478 9.499 6.451
574 HG LYS 71 2HG LYS 71 6.314 7.892 3.861
575 HG LYS 71 QG LYS 71 6.314 7.892 3.861
576 HD LYS 71 2HD LYS 71 4.693 10.201 4.892
577 HD LYS 71 QD LYS 71 4.693 10.201 4.892
578 HE LYS 71 2HE LYS 71 5.211 9.979 1.916
579 HE LYS 71 QE LYS 71 5.211 9.979 1.916
580 1HZ LYS 71 1HZ LYS 71 3.388 11.357 3.130
581 2HZ LYS 71 2HZ LYS 71 4.588 12.407 3.462
582 H GLN 72 H GLN 72 6.672 7.184 8.679
583 HA GLN 72 HA GLN 72 8.459 8.942 9.935
584 HB GLN 72 2HB GLN 72 6.158 8.191 10.765
585 HB GLN 72 QB GLN 72 6.158 8.191 10.765
586 HG GLN 72 2HG GLN 72 7.787 5.807 11.766
587 HG GLN 72 QG GLN 72 7.787 5.807 11.766
588 1HE2 GLN 72 2HE2 GLN 72 4.973 4.639 13.615
589 2HE2 GLN 72 1HE2 GLN 72 6.312 4.143 12.633
590 H ILE 73 H ILE 73 8.851 5.808 8.614
591 HA ILE 73 HA ILE 73 10.771 4.892 10.546
592 HB ILE 73 HB ILE 73 9.130 3.553 9.023
593 HG1 ILE 73 2HG1 ILE 73 10.408 2.359 10.565
594 HG1 ILE 73 QG1 ILE 73 10.408 2.359 10.565
595 1HG2 ILE 73 2HG2 ILE 73 10.402 4.677 6.977
596 2HG2 ILE 73 3HG2 ILE 73 11.470 3.270 7.196
597 3HG2 ILE 73 1HG2 ILE 73 9.734 3.030 6.891
598 1HD1 ILE 73 1HD1 ILE 73 9.910 1.087 8.393
599 2HD1 ILE 73 2HD1 ILE 73 11.598 1.408 7.927
600 3HD1 ILE 73 3HD1 ILE 73 11.245 0.438 9.378
601 H GLY 74 H GLY 74 10.737 6.456 7.312
602 1HA GLY 74 1HA GLY 74 12.637 8.063 7.109
603 2HA GLY 74 2HA GLY 74 13.678 6.712 7.512
604 H GLY 75 H GLY 75 10.732 6.214 5.580
605 1HA GLY 75 1HA GLY 75 12.388 6.011 3.141
606 2HA GLY 75 2HA GLY 75 11.314 4.715 3.630
607 H GLU 76 H GLU 76 9.654 4.737 2.149
608 HA GLU 76 HA GLU 76 7.960 7.036 2.203
609 HB GLU 76 2HB GLU 76 8.290 7.852 0.099
610 HB GLU 76 QB GLU 76 8.290 7.852 0.099
611 HG GLU 76 2HG GLU 76 10.637 7.022 -0.874
612 HG GLU 76 QG GLU 76 10.637 7.022 -0.874
613 HE2 GLU 76 HE GLU 76 11.959 9.196 1.944
614 H MET 77 H MET 77 5.801 6.564 1.310
615 HA MET 77 HA MET 77 5.411 3.681 1.061
616 HB MET 77 2HB MET 77 3.078 5.411 1.778
617 HB MET 77 QB MET 77 3.078 5.411 1.778
618 HG MET 77 2HG MET 77 3.521 3.483 3.774
619 HG MET 77 QG MET 77 3.521 3.483 3.774
620 1HE MET 77 2HE MET 77 3.113 2.268 0.391
621 2HE MET 77 3HE MET 77 2.025 1.051 1.098
622 3HE MET 77 1HE MET 77 1.380 2.282 -0.015
623 H VAL 78 H VAL 78 4.574 2.944 -0.851
624 HA VAL 78 HA VAL 78 3.152 4.908 -2.508
625 HB VAL 78 HB VAL 78 5.196 2.852 -3.370
626 1HG1 VAL 78 2HG1 VAL 78 3.196 4.482 -4.900
627 2HG1 VAL 78 3HG1 VAL 78 4.798 4.186 -5.619
628 3HG1 VAL 78 1HG1 VAL 78 3.758 2.814 -5.169
629 1HG2 VAL 78 2HG2 VAL 78 5.242 5.849 -3.083
630 2HG2 VAL 78 3HG2 VAL 78 6.450 4.643 -2.580
631 3HG2 VAL 78 1HG2 VAL 78 6.261 5.047 -4.303
632 H VAL 79 H VAL 79 1.565 3.931 -4.004
633 HA VAL 79 HA VAL 79 0.905 1.172 -3.620
634 HB VAL 79 HB VAL 79 -0.016 2.184 -1.582
635 1HG1 VAL 79 1HG1 VAL 79 -1.228 4.074 -3.557
636 2HG1 VAL 79 2HG1 VAL 79 -2.190 3.631 -2.126
637 3HG1 VAL 79 3HG1 VAL 79 -0.586 4.376 -1.925
638 1HG2 VAL 79 3HG2 VAL 79 -2.017 1.203 -3.638
639 2HG2 VAL 79 1HG2 VAL 79 -1.143 0.246 -2.418
640 3HG2 VAL 79 2HG2 VAL 79 -2.393 1.407 -1.910
641 H CYS 80 H CYS 80 -0.175 0.397 -5.413
642 HA CYS 80 HA CYS 80 -1.378 2.386 -7.168
643 HB CYS 80 2HB CYS 80 1.052 1.841 -7.842
644 HB CYS 80 QB CYS 80 1.052 1.841 -7.842
645 HG CYS 80 HG CYS 80 0.133 -0.911 -7.303
646 H ALA 81 H ALA 81 -2.064 0.584 -9.255
647 HA ALA 81 HA ALA 81 -3.358 -1.146 -9.808
648 1HB ALA 81 1HB ALA 81 -2.104 -2.079 -7.439
649 2HB ALA 81 2HB ALA 81 -3.836 -2.447 -7.267
650 3HB ALA 81 3HB ALA 81 -2.936 -3.044 -8.682
651 H ILE 82 H ILE 82 -4.261 1.487 -9.010
652 HA ILE 82 HA ILE 82 -6.568 1.157 -7.359
653 HB ILE 82 HB ILE 82 -5.017 3.232 -7.862
654 HG1 ILE 82 2HG1 ILE 82 -7.994 3.308 -7.307
655 HG1 ILE 82 QG1 ILE 82 -7.994 3.308 -7.307
656 1HG2 ILE 82 2HG2 ILE 82 -6.092 3.028 -10.337
657 2HG2 ILE 82 3HG2 ILE 82 -7.232 4.167 -9.583
658 3HG2 ILE 82 1HG2 ILE 82 -5.494 4.546 -9.627
659 1HD1 ILE 82 3HD1 ILE 82 -5.999 2.194 -5.805
660 2HD1 ILE 82 1HD1 ILE 82 -5.913 3.882 -5.246
661 3HD1 ILE 82 2HD1 ILE 82 -7.437 2.973 -5.103
662 H SER 83 H SER 83 -8.387 2.805 -8.980
663 HA SER 83 HA SER 83 -8.819 1.655 -11.454
664 HB SER 83 2HB SER 83 -11.094 0.593 -10.001
665 HB SER 83 QB SER 83 -11.094 0.593 -10.001
666 HG SER 83 HG SER 83 -9.030 -0.422 -11.720
667 HA PRO 84 HA PRO 84 -11.843 4.793 -11.437
668 HB PRO 84 2HB PRO 84 -12.302 4.570 -13.682
669 HB PRO 84 QB PRO 84 -12.302 4.570 -13.682
670 HG PRO 84 2HG PRO 84 -11.902 2.469 -14.544
671 HG PRO 84 QG PRO 84 -11.902 2.469 -14.544
672 HD PRO 84 2HD PRO 84 -10.345 1.701 -13.037
673 HD PRO 84 QD PRO 84 -10.345 1.701 -13.037
674 H ALA 85 H ALA 85 -12.601 1.862 -10.061
675 HA ALA 85 HA ALA 85 -14.879 3.145 -8.725
676 1HB ALA 85 2HB ALA 85 -15.555 1.396 -10.428
677 2HB ALA 85 3HB ALA 85 -14.680 0.197 -9.446
678 3HB ALA 85 1HB ALA 85 -16.081 1.056 -8.762
679 H VAL 86 H VAL 86 -11.919 2.948 -8.132
680 HA VAL 86 HA VAL 86 -12.255 1.754 -5.492
681 HB VAL 86 HB VAL 86 -10.264 0.986 -7.588
682 1HG1 VAL 86 3HG1 VAL 86 -9.609 1.605 -4.804
683 2HG1 VAL 86 1HG1 VAL 86 -9.218 -0.074 -5.245
684 3HG1 VAL 86 2HG1 VAL 86 -8.538 1.275 -6.187
685 1HG2 VAL 86 2HG2 VAL 86 -12.392 -0.273 -6.151
686 2HG2 VAL 86 3HG2 VAL 86 -11.342 -0.956 -7.417
687 3HG2 VAL 86 1HG2 VAL 86 -10.865 -1.074 -5.707
688 H LYS 87 H LYS 87 -10.541 3.894 -7.793
689 HA LYS 87 HA LYS 87 -8.964 5.124 -5.769
690 HB LYS 87 2HB LYS 87 -8.555 4.923 -8.333
691 HB LYS 87 QB LYS 87 -8.555 4.923 -8.333
692 HG LYS 87 2HG LYS 87 -9.668 7.700 -8.457
693 HG LYS 87 QG LYS 87 -9.668 7.700 -8.457
694 HD LYS 87 2HD LYS 87 -10.200 5.761 -10.627
695 HD LYS 87 QD LYS 87 -10.200 5.761 -10.627
696 HE LYS 87 2HE LYS 87 -8.904 7.575 -11.905
697 HE LYS 87 QE LYS 87 -8.904 7.575 -11.905
698 1HZ LYS 87 1HZ LYS 87 -11.128 8.035 -12.034
699 2HZ LYS 87 2HZ LYS 87 -11.389 7.962 -10.428
700 H ARG 88 H ARG 88 -12.284 5.207 -6.558
701 HA ARG 88 HA ARG 88 -12.760 7.921 -6.138
702 HB ARG 88 2HB ARG 88 -14.308 6.099 -7.181
703 HB ARG 88 QB ARG 88 -14.308 6.099 -7.181
704 HG ARG 88 2HG ARG 88 -16.004 5.272 -5.427
705 HG ARG 88 QG ARG 88 -16.004 5.272 -5.427
706 HD ARG 88 2HD ARG 88 -13.381 3.989 -4.749
707 HD ARG 88 QD ARG 88 -13.381 3.989 -4.749
708 HE ARG 88 HE ARG 88 -14.946 2.281 -4.544
709 1HH1 ARG 88 1HH2 ARG 88 -17.422 3.483 -7.519
710 2HH1 ARG 88 2HH2 ARG 88 -16.006 4.415 -7.166
711 HH2 ARG 88 1HH ARG 88 -17.878 1.509 -6.239
712 H LEU 89 H LEU 89 -12.105 5.194 -4.019
713 HA LEU 89 HA LEU 89 -13.410 6.112 -1.713
714 HB LEU 89 2HB LEU 89 -11.201 4.649 -0.883
715 HB LEU 89 QB LEU 89 -11.201 4.649 -0.883
716 HG LEU 89 HG LEU 89 -13.756 3.366 -1.866
717 1HD1 LEU 89 2HD1 LEU 89 -11.762 1.968 -1.122
718 2HD1 LEU 89 3HD1 LEU 89 -12.062 2.603 0.514
719 3HD1 LEU 89 1HD1 LEU 89 -13.316 1.651 -0.314
720 1HD2 LEU 89 1HD2 LEU 89 -13.464 5.402 0.160
721 2HD2 LEU 89 2HD2 LEU 89 -14.933 4.605 -0.452
722 3HD2 LEU 89 3HD2 LEU 89 -14.013 3.871 0.883
723 H PHE 90 H PHE 90 -10.078 6.606 -3.018
724 HA PHE 90 HA PHE 90 -9.443 8.328 -0.794
725 HB PHE 90 2HB PHE 90 -7.241 8.356 -1.920
726 HB PHE 90 QB PHE 90 -7.241 8.356 -1.920
727 HD1 PHE 90 1HD PHE 90 -8.671 5.482 -3.710
728 HD2 PHE 90 2HD PHE 90 -6.690 6.784 -0.190
729 HE1 PHE 90 1HE PHE 90 -8.172 3.097 -3.108
730 HE2 PHE 90 2HE PHE 90 -6.192 4.398 0.411
731 HZ PHE 90 HZ PHE 90 -6.939 2.583 -1.055
732 H ASP 91 H ASP 91 -10.752 8.572 -4.044
733 HA ASP 91 HA ASP 91 -9.879 11.182 -4.550
734 HB ASP 91 2HB ASP 91 -12.457 10.531 -5.778
735 HB ASP 91 QB ASP 91 -12.457 10.531 -5.778
736 HD2 ASP 91 HD ASP 91 -12.001 11.513 -8.205
737 H MET 92 H MET 92 -12.664 9.663 -2.889
738 HA MET 92 HA MET 92 -14.079 12.141 -2.701
739 HB MET 92 2HB MET 92 -14.506 9.373 -1.443
740 HB MET 92 QB MET 92 -14.506 9.373 -1.443
741 HG MET 92 2HG MET 92 -16.369 11.796 -1.564
742 HG MET 92 QG MET 92 -16.369 11.796 -1.564
743 1HE MET 92 1HE MET 92 -18.556 11.584 -1.807
744 2HE MET 92 2HE MET 92 -19.648 10.270 -1.305
745 3HE MET 92 3HE MET 92 -18.891 11.315 -0.079
746 H SER 93 H SER 93 -11.980 10.075 -0.663
747 HA SER 93 HA SER 93 -12.563 11.369 1.737
748 HB SER 93 2HB SER 93 -9.829 10.215 1.329
749 HB SER 93 QB SER 93 -9.829 10.215 1.329
750 HG SER 93 HG SER 93 -10.128 9.925 3.420
751 H GLY 94 H GLY 94 -10.475 12.119 -1.020
752 1HA GLY 94 1HA GLY 94 -9.338 13.998 -1.530
753 2HA GLY 94 2HA GLY 94 -10.018 14.772 -0.113
754 H LEU 95 H LEU 95 -8.537 11.764 0.691
755 HA LEU 95 HA LEU 95 -6.180 13.225 1.647
756 HB LEU 95 2HB LEU 95 -7.053 10.572 2.716
757 HB LEU 95 QB LEU 95 -7.053 10.572 2.716
758 HG LEU 95 HG LEU 95 -5.091 11.244 3.791
759 1HD1 LEU 95 2HD1 LEU 95 -6.198 14.044 3.645
760 2HD1 LEU 95 3HD1 LEU 95 -4.867 13.615 4.746
761 3HD1 LEU 95 1HD1 LEU 95 -4.673 13.401 2.989
762 1HD2 LEU 95 3HD2 LEU 95 -7.300 10.899 5.239
763 2HD2 LEU 95 1HD2 LEU 95 -5.723 11.271 5.975
764 3HD2 LEU 95 2HD2 LEU 95 -6.921 12.566 5.735
765 H PHE 96 H PHE 96 -7.019 11.656 -1.024
766 HA PHE 96 HA PHE 96 -5.504 9.420 -1.308
767 HB PHE 96 2HB PHE 96 -5.311 11.384 -3.547
768 HB PHE 96 QB PHE 96 -5.311 11.384 -3.547
769 HD1 PHE 96 2HD PHE 96 -4.899 8.296 -2.712
770 HD2 PHE 96 1HD PHE 96 -7.690 10.447 -5.076
771 HE1 PHE 96 2HE PHE 96 -5.346 6.230 -4.065
772 HE2 PHE 96 1HE PHE 96 -8.136 8.382 -6.430
773 HZ PHE 96 HZ PHE 96 -6.959 6.297 -5.908
774 H LYS 97 H LYS 97 -4.439 12.845 -1.300
775 HA LYS 97 HA LYS 97 -1.874 12.395 -2.318
776 HB LYS 97 2HB LYS 97 -1.387 14.608 -1.565
777 HB LYS 97 QB LYS 97 -1.387 14.608 -1.565
778 HG LYS 97 2HG LYS 97 -3.912 13.952 -2.863
779 HG LYS 97 QG LYS 97 -3.912 13.952 -2.863
780 HD LYS 97 2HD LYS 97 -3.820 16.545 -1.247
781 HD LYS 97 QD LYS 97 -3.820 16.545 -1.247
782 HE LYS 97 2HE LYS 97 -6.313 15.906 -2.654
783 HE LYS 97 QE LYS 97 -6.313 15.906 -2.654
784 1HZ LYS 97 1HZ LYS 97 -4.627 18.165 -2.080
785 2HZ LYS 97 2HZ LYS 97 -5.309 18.265 -3.556
786 H ILE 98 H ILE 98 -3.366 11.598 0.733
787 HA ILE 98 HA ILE 98 -0.862 11.492 2.152
788 HB ILE 98 HB ILE 98 -3.518 11.778 2.852
789 HG1 ILE 98 2HG1 ILE 98 -2.467 12.652 4.601
790 HG1 ILE 98 QG1 ILE 98 -2.467 12.652 4.601
791 1HG2 ILE 98 3HG2 ILE 98 -2.574 9.000 3.595
792 2HG2 ILE 98 1HG2 ILE 98 -3.891 9.858 4.432
793 3HG2 ILE 98 2HG2 ILE 98 -4.045 9.461 2.703
794 1HD1 ILE 98 3HD1 ILE 98 -1.635 9.776 5.165
795 2HD1 ILE 98 1HD1 ILE 98 -1.230 11.132 6.245
796 3HD1 ILE 98 2HD1 ILE 98 -2.934 10.705 5.950
797 H ILE 99 H ILE 99 -2.513 9.571 -0.148
798 HA ILE 99 HA ILE 99 -1.037 7.206 0.781
799 HB ILE 99 HB ILE 99 -3.709 7.452 -0.583
800 HG1 ILE 99 2HG1 ILE 99 -4.471 6.086 1.315
801 HG1 ILE 99 QG1 ILE 99 -4.471 6.086 1.315
802 1HG2 ILE 99 2HG2 ILE 99 -2.347 5.754 -1.756
803 2HG2 ILE 99 3HG2 ILE 99 -2.100 4.911 -0.208
804 3HG2 ILE 99 1HG2 ILE 99 -3.737 5.054 -0.892
805 1HD1 ILE 99 2HD1 ILE 99 -1.752 5.487 1.646
806 2HD1 ILE 99 3HD1 ILE 99 -2.110 6.603 2.986
807 3HD1 ILE 99 1HD1 ILE 99 -3.055 5.107 2.797
808 H ARG 100 H ARG 100 -1.285 9.715 -1.519
809 HA ARG 100 HA ARG 100 -0.670 9.913 -3.628
810 HB ARG 100 2HB ARG 100 1.791 8.511 -2.465
811 HB ARG 100 QB ARG 100 1.791 8.511 -2.465
812 HG ARG 100 2HG ARG 100 1.271 9.684 -5.074
813 HG ARG 100 QG ARG 100 1.271 9.684 -5.074
814 HD ARG 100 2HD ARG 100 2.082 11.762 -3.706
815 HD ARG 100 QD ARG 100 2.082 11.762 -3.706
816 HE ARG 100 HE ARG 100 4.192 10.025 -3.028
817 1HH1 ARG 100 2HH2 ARG 100 3.876 13.232 -4.502
818 2HH1 ARG 100 1HH2 ARG 100 5.415 13.784 -3.926
819 HH2 ARG 100 1HH ARG 100 6.775 12.309 -2.615
820 H PHE 101 H PHE 101 -2.144 8.427 -4.719
821 HA PHE 101 HA PHE 101 -1.004 5.795 -5.293
822 HB PHE 101 2HB PHE 101 -3.735 6.556 -6.249
823 HB PHE 101 QB PHE 101 -3.735 6.556 -6.249
824 HD1 PHE 101 2HD PHE 101 -3.373 4.314 -7.295
825 HD2 PHE 101 1HD PHE 101 -3.471 4.839 -3.086
826 HE1 PHE 101 2HE PHE 101 -3.763 1.852 -6.997
827 HE2 PHE 101 1HE PHE 101 -3.860 2.377 -2.787
828 HZ PHE 101 HZ PHE 101 -4.002 0.913 -4.747
829 H GLU 102 H GLU 102 -1.707 4.978 -7.617
830 HA GLU 102 HA GLU 102 -1.622 7.143 -9.521
831 HB GLU 102 2HB GLU 102 0.293 4.942 -10.134
832 HB GLU 102 QB GLU 102 0.293 4.942 -10.134
833 HG GLU 102 2HG GLU 102 1.511 6.686 -11.188
834 HG GLU 102 QG GLU 102 1.511 6.686 -11.188
835 HE2 GLU 102 HE GLU 102 -2.216 7.953 -11.439
836 H GLN 103 H GLN 103 -0.761 4.909 -11.547
837 HA GLN 103 HA GLN 103 -2.992 3.133 -11.401
838 HB GLN 103 2HB GLN 103 -3.933 3.801 -13.609
839 HB GLN 103 QB GLN 103 -3.933 3.801 -13.609
840 HG GLN 103 2HG GLN 103 -3.769 6.121 -11.626
841 HG GLN 103 QG GLN 103 -3.769 6.121 -11.626
842 1HE2 GLN 103 2HE2 GLN 103 -7.276 6.619 -13.185
843 2HE2 GLN 103 1HE2 GLN 103 -6.775 5.762 -11.766
844 H SER 104 H SER 104 -1.502 1.415 -11.449
845 HA SER 104 HA SER 104 -0.018 0.032 -12.234
846 HB SER 104 2HB SER 104 -1.387 0.926 -14.788
847 HB SER 104 QB SER 104 -1.387 0.926 -14.788
848 HG SER 104 HG SER 104 0.151 -0.043 -15.909
849 H GLU 105 H GLU 105 0.020 2.758 -14.658
850 HA GLU 105 HA GLU 105 2.490 2.672 -15.525
851 HB GLU 105 2HB GLU 105 1.068 5.192 -14.559
852 HB GLU 105 QB GLU 105 1.068 5.192 -14.559
853 HG GLU 105 2HG GLU 105 3.617 4.736 -16.028
854 HG GLU 105 QG GLU 105 3.617 4.736 -16.028
855 HE2 GLU 105 HE GLU 105 1.222 7.509 -16.741
856 H GLN 106 H GLN 106 1.536 3.455 -12.200
857 HA GLN 106 HA GLN 106 3.984 4.594 -11.455
858 HB GLN 106 2HB GLN 106 1.572 3.503 -10.020
859 HB GLN 106 QB GLN 106 1.572 3.503 -10.020
860 HG GLN 106 2HG GLN 106 4.321 3.948 -8.836
861 HG GLN 106 QG GLN 106 4.321 3.948 -8.836
862 1HE2 GLN 106 2HE2 GLN 106 0.993 4.901 -6.533
863 2HE2 GLN 106 1HE2 GLN 106 0.902 3.762 -7.836
864 H GLN 107 H GLN 107 3.080 1.388 -12.274
865 HA GLN 107 HA GLN 107 4.161 -0.317 -10.632
866 HB GLN 107 2HB GLN 107 3.366 -0.614 -13.099
867 HB GLN 107 QB GLN 107 3.366 -0.614 -13.099
868 HG GLN 107 2HG GLN 107 6.384 -0.637 -13.543
869 HG GLN 107 QG GLN 107 6.384 -0.637 -13.543
870 1HE2 GLN 107 2HE2 GLN 107 5.448 -0.954 -17.125
871 2HE2 GLN 107 1HE2 GLN 107 6.253 0.207 -16.125
872 H ALA 108 H ALA 108 5.977 2.168 -12.406
873 HA ALA 108 HA ALA 108 8.521 1.032 -11.625
874 1HB ALA 108 1HB ALA 108 7.504 3.153 -13.443
875 2HB ALA 108 2HB ALA 108 9.080 3.483 -12.685
876 3HB ALA 108 3HB ALA 108 8.851 2.010 -13.658
877 H LEU 109 H LEU 109 6.604 4.061 -11.026
878 HA LEU 109 HA LEU 109 8.365 5.024 -9.064
879 HB LEU 109 2HB LEU 109 5.726 5.992 -8.629
880 HB LEU 109 QB LEU 109 5.726 5.992 -8.629
881 HG LEU 109 HG LEU 109 8.091 7.158 -10.114
882 1HD1 LEU 109 2HD1 LEU 109 5.801 7.995 -10.888
883 2HD1 LEU 109 3HD1 LEU 109 5.654 8.724 -9.272
884 3HD1 LEU 109 1HD1 LEU 109 6.983 9.211 -10.350
885 1HD2 LEU 109 1HD2 LEU 109 7.807 6.738 -7.444
886 2HD2 LEU 109 2HD2 LEU 109 8.778 8.043 -8.166
887 3HD2 LEU 109 3HD2 LEU 109 7.122 8.373 -7.605
888 H LEU 110 H LEU 110 6.027 2.455 -9.077
889 HA LEU 110 HA LEU 110 5.163 2.524 -6.442
890 HB LEU 110 2HB LEU 110 5.695 0.028 -8.041
891 HB LEU 110 QB LEU 110 5.695 0.028 -8.041
892 HG LEU 110 HG LEU 110 4.706 -0.110 -5.673
893 1HD1 LEU 110 3HD1 LEU 110 2.980 1.851 -6.704
894 2HD1 LEU 110 1HD1 LEU 110 2.000 0.373 -6.552
895 3HD1 LEU 110 2HD1 LEU 110 2.870 1.014 -5.137
896 1HD2 LEU 110 3HD2 LEU 110 4.598 -1.844 -7.533
897 2HD2 LEU 110 1HD2 LEU 110 3.366 -1.957 -6.254
898 3HD2 LEU 110 2HD2 LEU 110 2.944 -1.262 -7.838
899 H THR 111 H THR 111 8.216 1.402 -7.922
900 HA THR 111 HA THR 111 9.198 -0.053 -5.760
901 HB THR 111 HB THR 111 10.145 1.160 -8.283
902 HG1 THR 111 1HG THR 111 9.791 -1.139 -7.757
903 1HG2 THR 111 1HG2 THR 111 12.112 0.738 -5.970
904 2HG2 THR 111 2HG2 THR 111 12.557 1.009 -7.672
905 3HG2 THR 111 3HG2 THR 111 11.764 2.303 -6.743
906 H LEU 112 H LEU 112 8.234 3.165 -5.764
907 HA LEU 112 HA LEU 112 8.296 4.472 -3.898
908 HB LEU 112 2HB LEU 112 10.877 3.077 -3.173
909 HB LEU 112 QB LEU 112 10.877 3.077 -3.173
910 HG LEU 112 HG LEU 112 9.469 5.336 -1.956
911 1HD1 LEU 112 1HD1 LEU 112 8.477 3.498 -0.618
912 2HD1 LEU 112 2HD1 LEU 112 10.117 2.988 -0.153
913 3HD1 LEU 112 3HD1 LEU 112 9.511 4.589 0.336
914 1HD2 LEU 112 3HD2 LEU 112 12.169 4.091 -1.957
915 2HD2 LEU 112 1HD2 LEU 112 11.679 5.790 -2.168
916 3HD2 LEU 112 2HD2 LEU 112 11.725 5.072 -0.539
917 H GLY 113 H GLY 113 9.372 4.656 -6.701
918 1HA GLY 113 1HA GLY 113 10.696 5.985 -7.967
919 2HA GLY 113 2HA GLY 113 10.200 7.214 -6.819
920 H VAL 114 H VAL 114 12.094 4.435 -5.693
921 HA VAL 114 HA VAL 114 14.559 5.973 -5.855
922 HB VAL 114 HB VAL 114 13.166 5.137 -3.321
923 1HG1 VAL 114 2HG1 VAL 114 16.103 5.334 -3.866
924 2HG1 VAL 114 3HG1 VAL 114 15.488 5.955 -2.316
925 3HG1 VAL 114 1HG1 VAL 114 15.212 4.255 -2.766
926 1HG2 VAL 114 1HG2 VAL 114 14.442 7.722 -4.272
927 2HG2 VAL 114 2HG2 VAL 114 12.707 7.396 -4.040
928 3HG2 VAL 114 3HG2 VAL 114 13.799 7.455 -2.634
929 H ALA 115 H ALA 115 14.713 4.194 -7.544
930 HA ALA 115 HA ALA 115 16.499 2.321 -6.929
931 1HB ALA 115 3HB ALA 115 13.897 1.567 -5.808
932 2HB ALA 115 1HB ALA 115 14.545 0.331 -6.912
933 3HB ALA 115 2HB ALA 115 15.508 0.869 -5.515
934 H SER 116 H SER 116 17.140 2.684 -9.047
935 HA SER 116 HA SER 116 17.204 2.455 -11.203
936 HB SER 116 2HB SER 116 15.080 0.614 -11.824
937 HB SER 116 QB SER 116 15.080 0.614 -11.824
938 HG SER 116 HG SER 116 17.571 0.823 -12.402
No H/Q in entry = 795
Start of MODEL 2
1 H SER 1 H SER 1 -10.029 -16.962 -0.155
2 HA SER 1 HA SER 1 -11.910 -14.789 0.060
3 HB SER 1 2HB SER 1 -9.685 -15.879 1.799
4 HB SER 1 QB SER 1 -9.685 -15.879 1.799
5 HG SER 1 HG SER 1 -11.095 -13.377 2.195
6 H LEU 2 H LEU 2 -8.645 -14.160 1.141
7 HA LEU 2 HA LEU 2 -8.199 -12.488 -1.234
8 HB LEU 2 2HB LEU 2 -7.992 -11.848 1.682
9 HB LEU 2 QB LEU 2 -7.992 -11.848 1.682
10 HG LEU 2 HG LEU 2 -5.961 -11.100 -0.174
11 1HD1 LEU 2 3HD1 LEU 2 -7.992 -9.337 -0.550
12 2HD1 LEU 2 1HD1 LEU 2 -7.100 -8.545 0.771
13 3HD1 LEU 2 2HD1 LEU 2 -6.266 -8.948 -0.749
14 1HD2 LEU 2 1HD2 LEU 2 -6.649 -10.672 2.681
15 2HD2 LEU 2 2HD2 LEU 2 -5.155 -11.284 1.931
16 3HD2 LEU 2 3HD2 LEU 2 -5.485 -9.535 1.959
17 H GLY 3 H GLY 3 -6.074 -12.402 -2.046
18 1HA GLY 3 1HA GLY 3 -4.446 -14.688 -1.309
19 2HA GLY 3 2HA GLY 3 -4.218 -13.597 -2.662
20 H ILE 4 H ILE 4 -1.923 -13.463 -2.113
21 HA ILE 4 HA ILE 4 -1.250 -11.201 -0.700
22 HB ILE 4 HB ILE 4 -2.005 -12.959 1.154
23 HG1 ILE 4 2HG1 ILE 4 -0.172 -11.743 2.623
24 HG1 ILE 4 QG1 ILE 4 -0.172 -11.743 2.623
25 1HG2 ILE 4 3HG2 ILE 4 -0.163 -14.535 0.288
26 2HG2 ILE 4 1HG2 ILE 4 0.967 -13.444 1.126
27 3HG2 ILE 4 2HG2 ILE 4 -0.306 -14.284 2.044
28 1HD1 ILE 4 1HD1 ILE 4 1.115 -11.048 0.521
29 2HD1 ILE 4 2HD1 ILE 4 -0.262 -9.988 0.135
30 3HD1 ILE 4 3HD1 ILE 4 0.676 -9.721 1.623
31 H ASP 5 H ASP 5 0.792 -10.599 -1.335
32 HA ASP 5 HA ASP 5 2.594 -12.701 -2.133
33 HB ASP 5 2HB ASP 5 2.599 -10.505 -4.090
34 HB ASP 5 QB ASP 5 2.599 -10.505 -4.090
35 HD2 ASP 5 HD ASP 5 2.160 -14.026 -5.799
36 H MET 6 H MET 6 4.823 -11.984 -1.972
37 HA MET 6 HA MET 6 5.194 -9.178 -1.343
38 HB MET 6 2HB MET 6 6.789 -10.013 0.550
39 HB MET 6 QB MET 6 6.789 -10.013 0.550
40 HG MET 6 2HG MET 6 3.761 -10.295 0.663
41 HG MET 6 QG MET 6 3.761 -10.295 0.663
42 1HE MET 6 2HE MET 6 2.712 -9.813 3.015
43 2HE MET 6 3HE MET 6 2.532 -11.549 2.673
44 3HE MET 6 1HE MET 6 3.034 -11.008 4.294
45 H ASN 7 H ASN 7 7.182 -8.330 -2.049
46 HA ASN 7 HA ASN 7 9.154 -10.232 -2.949
47 HB ASN 7 2HB ASN 7 9.006 -8.164 -4.957
48 HB ASN 7 QB ASN 7 9.006 -8.164 -4.957
49 1HD2 ASN 7 2HD2 ASN 7 10.385 -11.050 -6.391
50 2HD2 ASN 7 1HD2 ASN 7 10.671 -9.526 -5.619
51 H VAL 8 H VAL 8 11.311 -9.228 -3.064
52 HA VAL 8 HA VAL 8 11.373 -6.526 -1.908
53 HB VAL 8 HB VAL 8 12.292 -8.878 -0.809
54 1HG1 VAL 8 1HG1 VAL 8 14.101 -9.032 -2.463
55 2HG1 VAL 8 2HG1 VAL 8 14.670 -7.410 -1.999
56 3HG1 VAL 8 3HG1 VAL 8 14.745 -8.748 -0.827
57 1HG2 VAL 8 2HG2 VAL 8 13.229 -6.031 -0.312
58 2HG2 VAL 8 3HG2 VAL 8 11.823 -6.838 0.425
59 3HG2 VAL 8 1HG2 VAL 8 13.469 -7.399 0.803
60 H LYS 9 H LYS 9 12.635 -4.982 -2.921
61 HA LYS 9 HA LYS 9 14.372 -5.893 -5.076
62 HB LYS 9 2HB LYS 9 13.236 -4.952 -6.771
63 HB LYS 9 QB LYS 9 13.236 -4.952 -6.771
64 HG LYS 9 2HG LYS 9 10.856 -4.625 -4.925
65 HG LYS 9 QG LYS 9 10.856 -4.625 -4.925
66 HD LYS 9 2HD LYS 9 9.870 -5.994 -6.931
67 HD LYS 9 QD LYS 9 9.870 -5.994 -6.931
68 HE LYS 9 2HE LYS 9 10.555 -3.124 -6.691
69 HE LYS 9 QE LYS 9 10.555 -3.124 -6.691
70 1HZ LYS 9 1HZ LYS 9 11.320 -3.610 -8.987
71 2HZ LYS 9 2HZ LYS 9 9.854 -4.207 -9.367
72 H GLU 10 H GLU 10 16.311 -5.190 -4.335
73 HA GLU 10 HA GLU 10 17.880 -3.848 -3.664
74 HB GLU 10 2HB GLU 10 15.910 -1.808 -4.709
75 HB GLU 10 QB GLU 10 15.910 -1.808 -4.709
76 HG GLU 10 2HG GLU 10 18.252 -1.312 -2.924
77 HG GLU 10 QG GLU 10 18.252 -1.312 -2.924
78 HE2 GLU 10 HE GLU 10 19.995 0.899 -4.280
79 H SER 11 H SER 11 14.630 -3.396 -2.359
80 HA SER 11 HA SER 11 15.214 -3.706 0.193
81 HB SER 11 2HB SER 11 16.460 -1.949 0.888
82 HB SER 11 QB SER 11 16.460 -1.949 0.888
83 HG SER 11 HG SER 11 16.440 0.096 -0.580
84 H VAL 12 H VAL 12 13.318 -2.687 -2.388
85 HA VAL 12 HA VAL 12 11.124 -1.661 -0.806
86 HB VAL 12 HB VAL 12 11.662 -0.683 -2.968
87 1HG1 VAL 12 2HG1 VAL 12 11.934 -3.408 -3.785
88 2HG1 VAL 12 3HG1 VAL 12 10.660 -2.656 -4.776
89 3HG1 VAL 12 1HG1 VAL 12 12.282 -1.928 -4.710
90 1HG2 VAL 12 3HG2 VAL 12 9.180 -1.243 -2.024
91 2HG2 VAL 12 1HG2 VAL 12 9.495 -0.275 -3.484
92 3HG2 VAL 12 2HG2 VAL 12 9.090 -2.002 -3.631
93 H LEU 13 H LEU 13 9.549 -2.897 0.081
94 HA LEU 13 HA LEU 13 9.536 -5.719 -0.659
95 HB LEU 13 2HB LEU 13 9.292 -6.082 1.494
96 HB LEU 13 QB LEU 13 9.292 -6.082 1.494
97 HG LEU 13 HG LEU 13 10.282 -3.553 1.589
98 1HD1 LEU 13 3HD1 LEU 13 7.738 -2.882 1.809
99 2HD1 LEU 13 1HD1 LEU 13 8.009 -3.308 3.515
100 3HD1 LEU 13 2HD1 LEU 13 9.002 -2.048 2.745
101 1HD2 LEU 13 1HD2 LEU 13 9.569 -5.535 3.731
102 2HD2 LEU 13 2HD2 LEU 13 11.162 -5.103 3.063
103 3HD2 LEU 13 3HD2 LEU 13 10.320 -3.977 4.155
104 H CYS 14 H CYS 14 8.353 -5.888 -2.547
105 HA CYS 14 HA CYS 14 6.022 -4.344 -2.960
106 HB CYS 14 2HB CYS 14 5.931 -5.306 -5.054
107 HB CYS 14 QB CYS 14 5.931 -5.306 -5.054
108 HG CYS 14 HG CYS 14 8.940 -6.370 -4.256
109 H ILE 15 H ILE 15 3.854 -4.897 -2.561
110 HA ILE 15 HA ILE 15 3.403 -7.560 -1.420
111 HB ILE 15 HB ILE 15 2.964 -4.907 -0.217
112 HG1 ILE 15 2HG1 ILE 15 3.273 -7.714 0.891
113 HG1 ILE 15 QG1 ILE 15 3.273 -7.714 0.891
114 1HG2 ILE 15 2HG2 ILE 15 0.795 -6.995 -0.296
115 2HG2 ILE 15 3HG2 ILE 15 0.981 -5.903 1.097
116 3HG2 ILE 15 1HG2 ILE 15 0.679 -5.233 -0.525
117 1HD1 ILE 15 3HD1 ILE 15 5.143 -5.597 0.005
118 2HD1 ILE 15 1HD1 ILE 15 5.430 -6.154 1.670
119 3HD1 ILE 15 2HD1 ILE 15 5.448 -7.322 0.327
120 H ARG 16 H ARG 16 2.321 -8.550 -3.070
121 HA ARG 16 HA ARG 16 0.326 -6.967 -4.436
122 HB ARG 16 2HB ARG 16 0.561 -9.702 -5.424
123 HB ARG 16 QB ARG 16 0.561 -9.702 -5.424
124 HG ARG 16 2HG ARG 16 0.509 -6.974 -6.406
125 HG ARG 16 QG ARG 16 0.509 -6.974 -6.406
126 HD ARG 16 2HD ARG 16 2.717 -8.777 -7.501
127 HD ARG 16 QD ARG 16 2.717 -8.777 -7.501
128 HE ARG 16 HE ARG 16 1.153 -6.683 -8.875
129 1HH1 ARG 16 2HH2 ARG 16 4.148 -8.576 -8.823
130 2HH1 ARG 16 1HH2 ARG 16 4.506 -8.287 -10.494
131 HH2 ARG 16 1HH ARG 16 3.008 -6.948 -11.801
132 H LEU 17 H LEU 17 -1.601 -6.979 -3.271
133 HA LEU 17 HA LEU 17 -2.414 -9.489 -2.034
134 HB LEU 17 2HB LEU 17 -4.264 -7.421 -1.510
135 HB LEU 17 QB LEU 17 -4.264 -7.421 -1.510
136 HG LEU 17 HG LEU 17 -3.671 -7.610 0.745
137 1HD1 LEU 17 1HD1 LEU 17 -4.526 -9.720 -0.355
138 2HD1 LEU 17 2HD1 LEU 17 -2.848 -10.311 -0.338
139 3HD1 LEU 17 3HD1 LEU 17 -3.675 -9.937 1.192
140 1HD2 LEU 17 2HD2 LEU 17 -0.931 -8.209 -0.290
141 2HD2 LEU 17 3HD2 LEU 17 -1.456 -7.096 0.996
142 3HD2 LEU 17 1HD2 LEU 17 -1.407 -8.850 1.300
143 H THR 18 H THR 18 -4.069 -10.736 -2.802
144 HA THR 18 HA THR 18 -5.689 -9.578 -4.966
145 HB THR 18 HB THR 18 -5.473 -12.156 -5.769
146 HG1 THR 18 1HG THR 18 -3.578 -13.026 -4.919
147 1HG2 THR 18 1HG2 THR 18 -4.527 -9.862 -6.828
148 2HG2 THR 18 2HG2 THR 18 -2.980 -10.509 -6.230
149 3HG2 THR 18 3HG2 THR 18 -3.944 -11.443 -7.401
150 H GLY 19 H GLY 19 -7.754 -9.488 -4.371
151 1HA GLY 19 1HA GLY 19 -9.459 -11.420 -3.817
152 2HA GLY 19 2HA GLY 19 -8.681 -11.275 -2.254
153 H GLU 20 H GLU 20 -9.724 -9.957 -0.834
154 HA GLU 20 HA GLU 20 -11.114 -7.671 -1.999
155 HB GLU 20 2HB GLU 20 -12.373 -8.242 0.458
156 HB GLU 20 QB GLU 20 -12.373 -8.242 0.458
157 HG GLU 20 2HG GLU 20 -13.073 -7.846 -2.230
158 HG GLU 20 QG GLU 20 -13.073 -7.846 -2.230
159 HE2 GLU 20 HE GLU 20 -14.845 -10.940 -0.866
160 H LEU 21 H LEU 21 -11.306 -5.758 -0.523
161 HA LEU 21 HA LEU 21 -9.086 -5.728 1.404
162 HB LEU 21 2HB LEU 21 -10.000 -3.648 -0.574
163 HB LEU 21 QB LEU 21 -10.000 -3.648 -0.574
164 HG LEU 21 HG LEU 21 -7.783 -2.542 0.498
165 1HD1 LEU 21 2HD1 LEU 21 -9.993 -1.492 -0.072
166 2HD1 LEU 21 3HD1 LEU 21 -10.555 -1.947 1.555
167 3HD1 LEU 21 1HD1 LEU 21 -9.185 -0.825 1.368
168 1HD2 LEU 21 2HD2 LEU 21 -8.168 -4.416 2.371
169 2HD2 LEU 21 3HD2 LEU 21 -7.494 -2.808 2.731
170 3HD2 LEU 21 1HD2 LEU 21 -9.217 -3.139 3.034
171 H ASP 22 H ASP 22 -10.380 -6.294 3.196
172 HA ASP 22 HA ASP 22 -12.115 -4.119 3.998
173 HB ASP 22 2HB ASP 22 -13.979 -5.400 3.886
174 HB ASP 22 QB ASP 22 -13.979 -5.400 3.886
175 HD1 ASP 22 HD ASP 22 -13.920 -6.944 1.326
176 H HIS 23 H HIS 23 -12.720 -4.562 6.502
177 HA HIS 23 HA HIS 23 -10.451 -4.520 7.972
178 HB HIS 23 2HB HIS 23 -12.961 -4.033 8.543
179 HB HIS 23 QB HIS 23 -12.961 -4.033 8.543
180 HD1 HIS 23 1HD HIS 23 -12.198 -6.557 11.166
181 HD2 HIS 23 2HD HIS 23 -14.798 -6.172 7.897
182 HE1 HIS 23 1HE HIS 23 -13.969 -8.372 11.444
183 H HIS 24 H HIS 24 -12.019 -7.287 6.513
184 HA HIS 24 HA HIS 24 -10.809 -9.183 8.278
185 HB HIS 24 2HB HIS 24 -11.636 -10.778 6.411
186 HB HIS 24 QB HIS 24 -11.636 -10.778 6.411
187 HD1 HIS 24 1HD HIS 24 -12.623 -11.783 8.595
188 HD2 HIS 24 2HD HIS 24 -14.609 -8.345 7.241
189 HE1 HIS 24 1HE HIS 24 -14.790 -11.634 9.934
190 H THR 25 H THR 25 -10.316 -8.069 4.862
191 HA THR 25 HA THR 25 -7.893 -9.627 4.660
192 HB THR 25 HB THR 25 -8.088 -9.126 2.375
193 HG1 THR 25 1HG THR 25 -7.818 -6.824 2.660
194 1HG2 THR 25 3HG2 THR 25 -10.463 -9.810 3.427
195 2HG2 THR 25 1HG2 THR 25 -10.877 -8.132 2.999
196 3HG2 THR 25 2HG2 THR 25 -10.348 -9.267 1.735
197 H ALA 26 H ALA 26 -8.852 -6.318 5.479
198 HA ALA 26 HA ALA 26 -6.393 -5.088 4.991
199 1HB ALA 26 2HB ALA 26 -8.914 -4.535 6.431
200 2HB ALA 26 3HB ALA 26 -7.490 -3.714 7.113
201 3HB ALA 26 1HB ALA 26 -7.925 -3.468 5.405
202 H GLU 27 H GLU 27 -7.307 -7.530 7.248
203 HA GLU 27 HA GLU 27 -5.729 -6.794 9.406
204 HB GLU 27 2HB GLU 27 -5.912 -9.701 8.952
205 HB GLU 27 QB GLU 27 -5.912 -9.701 8.952
206 HG GLU 27 2HG GLU 27 -5.813 -8.082 11.134
207 HG GLU 27 QG GLU 27 -5.813 -8.082 11.134
208 HE2 GLU 27 HE GLU 27 -8.509 -6.980 12.525
209 H THR 28 H THR 28 -5.055 -8.982 6.587
210 HA THR 28 HA THR 28 -2.554 -9.830 7.212
211 HB THR 28 HB THR 28 -4.265 -9.864 5.010
212 HG1 THR 28 1HG THR 28 -2.929 -11.630 5.102
213 1HG2 THR 28 3HG2 THR 28 -1.595 -8.587 4.214
214 2HG2 THR 28 1HG2 THR 28 -2.814 -9.235 3.091
215 3HG2 THR 28 2HG2 THR 28 -3.182 -7.795 4.070
216 H LEU 29 H LEU 29 -3.405 -6.656 5.706
217 HA LEU 29 HA LEU 29 -0.685 -5.843 5.626
218 HB LEU 29 2HB LEU 29 -2.837 -3.817 5.590
219 HB LEU 29 QB LEU 29 -2.837 -3.817 5.590
220 HG LEU 29 HG LEU 29 -0.800 -3.011 4.743
221 1HD1 LEU 29 3HD1 LEU 29 -0.500 -5.752 3.645
222 2HD1 LEU 29 1HD1 LEU 29 0.199 -4.424 2.687
223 3HD1 LEU 29 2HD1 LEU 29 0.701 -4.662 4.379
224 1HD2 LEU 29 2HD2 LEU 29 -3.030 -3.041 3.181
225 2HD2 LEU 29 3HD2 LEU 29 -1.549 -2.122 2.824
226 3HD2 LEU 29 1HD2 LEU 29 -1.815 -3.711 2.066
227 H LYS 30 H LYS 30 -3.249 -5.862 8.039
228 HA LYS 30 HA LYS 30 -2.411 -3.758 9.634
229 HB LYS 30 2HB LYS 30 -3.565 -6.322 10.726
230 HB LYS 30 QB LYS 30 -3.565 -6.322 10.726
231 HG LYS 30 2HG LYS 30 -4.775 -3.734 11.412
232 HG LYS 30 QG LYS 30 -4.775 -3.734 11.412
233 HD LYS 30 2HD LYS 30 -4.418 -6.258 12.577
234 HD LYS 30 QD LYS 30 -4.418 -6.258 12.577
235 HE LYS 30 2HE LYS 30 -2.764 -4.151 14.045
236 HE LYS 30 QE LYS 30 -2.764 -4.151 14.045
237 1HZ LYS 30 1HZ LYS 30 -3.846 -6.763 14.923
238 2HZ LYS 30 2HZ LYS 30 -2.540 -6.102 15.639
239 H GLN 31 H GLN 31 -1.328 -7.196 9.487
240 HA GLN 31 HA GLN 31 0.464 -6.819 11.647
241 HB GLN 31 2HB GLN 31 -0.422 -9.031 11.289
242 HB GLN 31 QB GLN 31 -0.422 -9.031 11.289
243 HG GLN 31 2HG GLN 31 0.652 -8.672 8.464
244 HG GLN 31 QG GLN 31 0.652 -8.672 8.464
245 1HE2 GLN 31 2HE2 GLN 31 -0.592 -12.424 8.537
246 2HE2 GLN 31 1HE2 GLN 31 -1.546 -10.983 8.405
247 H LYS 32 H LYS 32 0.492 -6.126 8.241
248 HA LYS 32 HA LYS 32 3.304 -6.376 7.871
249 HB LYS 32 2HB LYS 32 1.116 -5.041 6.258
250 HB LYS 32 QB LYS 32 1.116 -5.041 6.258
251 HG LYS 32 2HG LYS 32 3.219 -3.932 5.703
252 HG LYS 32 QG LYS 32 3.219 -3.932 5.703
253 HD LYS 32 2HD LYS 32 4.328 -6.772 5.628
254 HD LYS 32 QD LYS 32 4.328 -6.772 5.628
255 HE LYS 32 2HE LYS 32 5.627 -4.179 4.662
256 HE LYS 32 QE LYS 32 5.627 -4.179 4.662
257 1HZ LYS 32 1HZ LYS 32 6.927 -6.189 5.786
258 2HZ LYS 32 2HZ LYS 32 6.822 -6.818 4.288
259 H VAL 33 H VAL 33 1.057 -3.881 9.035
260 HA VAL 33 HA VAL 33 2.756 -1.684 8.717
261 HB VAL 33 HB VAL 33 0.756 -2.023 10.940
262 1HG1 VAL 33 2HG1 VAL 33 1.953 0.255 9.404
263 2HG1 VAL 33 3HG1 VAL 33 0.291 0.418 10.020
264 3HG1 VAL 33 1HG1 VAL 33 1.630 0.095 11.147
265 1HG2 VAL 33 1HG2 VAL 33 0.281 -2.054 8.001
266 2HG2 VAL 33 2HG2 VAL 33 -0.664 -2.774 9.326
267 3HG2 VAL 33 3HG2 VAL 33 -0.798 -1.033 8.982
268 H THR 34 H THR 34 2.089 -3.733 11.650
269 HA THR 34 HA THR 34 3.870 -2.610 13.368
270 HB THR 34 HB THR 34 2.688 -4.292 14.417
271 HG1 THR 34 1HG THR 34 4.342 -5.702 14.878
272 1HG2 THR 34 1HG2 THR 34 2.573 -5.395 11.649
273 2HG2 THR 34 2HG2 THR 34 2.644 -6.632 12.927
274 3HG2 THR 34 3HG2 THR 34 1.336 -5.425 12.928
275 H GLN 35 H GLN 35 4.584 -4.616 10.530
276 HA GLN 35 HA GLN 35 7.203 -5.214 11.284
277 HB GLN 35 2HB GLN 35 7.465 -6.049 9.063
278 HB GLN 35 QB GLN 35 7.465 -6.049 9.063
279 HG GLN 35 2HG GLN 35 5.460 -7.334 8.676
280 HG GLN 35 QG GLN 35 5.460 -7.334 8.676
281 1HE2 GLN 35 2HE2 GLN 35 4.928 -7.125 12.739
282 2HE2 GLN 35 1HE2 GLN 35 4.333 -5.926 11.639
283 H SER 36 H SER 36 5.683 -2.482 9.518
284 HA SER 36 HA SER 36 8.187 -1.364 8.809
285 HB SER 36 2HB SER 36 5.712 0.330 8.900
286 HB SER 36 QB SER 36 5.712 0.330 8.900
287 HG SER 36 HG SER 36 7.912 -0.150 7.122
288 H LEU 37 H LEU 37 6.015 -1.276 11.582
289 HA LEU 37 HA LEU 37 6.526 1.167 12.682
290 HB LEU 37 2HB LEU 37 6.543 -0.788 14.754
291 HB LEU 37 QB LEU 37 6.543 -0.788 14.754
292 HG LEU 37 HG LEU 37 4.355 -0.034 15.292
293 1HD1 LEU 37 2HD1 LEU 37 6.428 1.896 14.572
294 2HD1 LEU 37 3HD1 LEU 37 4.796 2.605 14.604
295 3HD1 LEU 37 1HD1 LEU 37 5.431 1.770 16.041
296 1HD2 LEU 37 3HD2 LEU 37 3.830 -0.086 12.613
297 2HD2 LEU 37 1HD2 LEU 37 2.764 0.618 13.853
298 3HD2 LEU 37 2HD2 LEU 37 3.873 1.664 12.935
299 H GLU 38 H GLU 38 8.633 -1.708 12.483
300 HA GLU 38 HA GLU 38 10.887 -0.106 12.921
301 HB GLU 38 2HB GLU 38 11.586 -1.604 15.013
302 HB GLU 38 QB GLU 38 11.586 -1.604 15.013
303 HG GLU 38 2HG GLU 38 9.584 0.496 15.767
304 HG GLU 38 QG GLU 38 9.584 0.496 15.767
305 HE2 GLU 38 HE GLU 38 12.868 1.491 15.951
306 H LYS 39 H LYS 39 11.062 -1.221 10.779
307 HA LYS 39 HA LYS 39 11.337 -4.045 10.724
308 HB LYS 39 2HB LYS 39 12.093 -1.917 8.700
309 HB LYS 39 QB LYS 39 12.093 -1.917 8.700
310 HG LYS 39 2HG LYS 39 13.140 -4.324 8.539
311 HG LYS 39 QG LYS 39 13.140 -4.324 8.539
312 HD LYS 39 2HD LYS 39 11.270 -5.660 7.108
313 HD LYS 39 QD LYS 39 11.270 -5.660 7.108
314 HE LYS 39 2HE LYS 39 10.704 -6.233 9.896
315 HE LYS 39 QE LYS 39 10.704 -6.233 9.896
316 1HZ LYS 39 1HZ LYS 39 12.736 -7.708 8.419
317 2HZ LYS 39 2HZ LYS 39 11.432 -8.273 9.213
318 H ASP 40 H ASP 40 13.668 -1.270 10.565
319 HA ASP 40 HA ASP 40 15.504 -2.013 12.217
320 HB ASP 40 2HB ASP 40 17.111 -3.292 10.365
321 HB ASP 40 QB ASP 40 17.111 -3.292 10.365
322 HD1 ASP 40 HD ASP 40 17.542 -4.617 13.229
323 H ASP 41 H ASP 41 16.375 -2.270 8.716
324 HA ASP 41 HA ASP 41 17.937 0.079 8.919
325 HB ASP 41 2HB ASP 41 17.140 -1.459 6.406
326 HB ASP 41 QB ASP 41 17.140 -1.459 6.406
327 HD1 ASP 41 HD ASP 41 19.250 1.457 7.068
328 H ILE 42 H ILE 42 16.838 0.206 5.785
329 HA ILE 42 HA ILE 42 14.376 1.642 6.300
330 HB ILE 42 HB ILE 42 16.943 2.931 5.512
331 HG1 ILE 42 2HG1 ILE 42 16.099 4.736 6.911
332 HG1 ILE 42 QG1 ILE 42 16.099 4.736 6.911
333 1HG2 ILE 42 2HG2 ILE 42 14.318 3.407 4.195
334 2HG2 ILE 42 3HG2 ILE 42 15.272 4.835 4.664
335 3HG2 ILE 42 1HG2 ILE 42 15.974 3.613 3.576
336 1HD1 ILE 42 3HD1 ILE 42 13.555 3.317 6.509
337 2HD1 ILE 42 1HD1 ILE 42 13.889 3.625 8.231
338 3HD1 ILE 42 2HD1 ILE 42 13.847 4.979 7.075
339 H ARG 43 H ARG 43 13.579 -0.285 5.178
340 HA ARG 43 HA ARG 43 14.503 -0.704 2.528
341 HB ARG 43 2HB ARG 43 12.142 -2.138 2.719
342 HB ARG 43 QB ARG 43 12.142 -2.138 2.719
343 HG ARG 43 2HG ARG 43 13.985 -3.462 2.224
344 HG ARG 43 QG ARG 43 13.985 -3.462 2.224
345 HD ARG 43 2HD ARG 43 15.362 -1.755 4.292
346 HD ARG 43 QD ARG 43 15.362 -1.755 4.292
347 HE ARG 43 HE ARG 43 15.780 -4.470 4.467
348 1HH1 ARG 43 2HH2 ARG 43 17.789 -1.815 3.254
349 2HH1 ARG 43 1HH2 ARG 43 19.282 -2.600 3.650
350 HH2 ARG 43 1HH ARG 43 19.235 -4.768 4.670
351 H HIS 44 H HIS 44 12.002 -1.297 1.196
352 HA HIS 44 HA HIS 44 10.625 1.273 1.228
353 HB HIS 44 2HB HIS 44 10.615 1.154 -1.316
354 HB HIS 44 QB HIS 44 10.615 1.154 -1.316
355 HD1 HIS 44 1HD HIS 44 11.612 3.137 0.897
356 HD2 HIS 44 2HD HIS 44 14.051 1.391 -2.035
357 HE1 HIS 44 1HE HIS 44 13.636 4.672 0.645
358 H ILE 45 H ILE 45 8.471 1.148 0.083
359 HA ILE 45 HA ILE 45 7.412 -1.578 0.355
360 HB ILE 45 HB ILE 45 5.511 -0.769 1.297
361 HG1 ILE 45 2HG1 ILE 45 4.990 1.815 1.112
362 HG1 ILE 45 QG1 ILE 45 4.990 1.815 1.112
363 1HG2 ILE 45 3HG2 ILE 45 7.790 1.020 2.099
364 2HG2 ILE 45 1HG2 ILE 45 6.181 1.209 2.835
365 3HG2 ILE 45 2HG2 ILE 45 7.048 -0.338 2.978
366 1HD1 ILE 45 2HD1 ILE 45 7.278 1.632 -0.534
367 2HD1 ILE 45 3HD1 ILE 45 5.902 1.673 -1.662
368 3HD1 ILE 45 1HD1 ILE 45 6.117 2.980 -0.473
369 H VAL 46 H VAL 46 5.559 -2.096 -1.124
370 HA VAL 46 HA VAL 46 5.285 -0.473 -3.466
371 HB VAL 46 HB VAL 46 7.159 -2.735 -3.383
372 1HG1 VAL 46 2HG1 VAL 46 5.249 -3.832 -4.496
373 2HG1 VAL 46 3HG1 VAL 46 5.201 -2.517 -5.696
374 3HG1 VAL 46 1HG1 VAL 46 6.619 -3.590 -5.607
375 1HG2 VAL 46 3HG2 VAL 46 7.666 -0.334 -4.000
376 2HG2 VAL 46 1HG2 VAL 46 8.219 -1.558 -5.169
377 3HG2 VAL 46 2HG2 VAL 46 6.752 -0.606 -5.503
378 H LEU 47 H LEU 47 3.092 -0.501 -2.676
379 HA LEU 47 HA LEU 47 1.795 -3.065 -2.454
380 HB LEU 47 2HB LEU 47 -0.133 -1.806 -1.790
381 HB LEU 47 QB LEU 47 -0.133 -1.806 -1.790
382 HG LEU 47 HG LEU 47 2.342 -0.532 -0.593
383 1HD1 LEU 47 2HD1 LEU 47 -0.544 -0.464 0.318
384 2HD1 LEU 47 3HD1 LEU 47 0.844 0.010 1.326
385 3HD1 LEU 47 1HD1 LEU 47 0.478 0.911 -0.165
386 1HD2 LEU 47 3HD2 LEU 47 0.880 -3.079 -0.085
387 2HD2 LEU 47 1HD2 LEU 47 2.616 -2.701 0.035
388 3HD2 LEU 47 2HD2 LEU 47 1.500 -2.180 1.322
389 H ASN 48 H ASN 48 -0.041 -3.717 -3.781
390 HA ASN 48 HA ASN 48 -0.788 -2.316 -6.039
391 HB ASN 48 2HB ASN 48 1.249 -2.737 -7.173
392 HB ASN 48 QB ASN 48 1.249 -2.737 -7.173
393 1HD2 ASN 48 2HD2 ASN 48 3.610 -5.323 -6.658
394 2HD2 ASN 48 1HD2 ASN 48 3.008 -4.144 -7.774
395 H LEU 49 H LEU 49 -2.907 -3.096 -5.907
396 HA LEU 49 HA LEU 49 -3.262 -5.942 -5.338
397 HB LEU 49 2HB LEU 49 -5.743 -4.670 -5.330
398 HB LEU 49 QB LEU 49 -5.743 -4.670 -5.330
399 HG LEU 49 HG LEU 49 -4.043 -5.983 -3.405
400 1HD1 LEU 49 1HD1 LEU 49 -5.375 -3.437 -2.479
401 2HD1 LEU 49 2HD1 LEU 49 -5.018 -4.790 -1.379
402 3HD1 LEU 49 3HD1 LEU 49 -3.693 -3.969 -2.239
403 1HD2 LEU 49 2HD2 LEU 49 -6.600 -6.215 -4.364
404 2HD2 LEU 49 3HD2 LEU 49 -5.939 -7.084 -2.958
405 3HD2 LEU 49 1HD2 LEU 49 -6.872 -5.586 -2.722
406 H GLU 50 H GLU 50 -3.491 -7.264 -7.053
407 HA GLU 50 HA GLU 50 -4.184 -6.111 -9.572
408 HB GLU 50 2HB GLU 50 -4.087 -9.030 -9.548
409 HB GLU 50 QB GLU 50 -4.087 -9.030 -9.548
410 HG GLU 50 2HG GLU 50 -1.831 -8.267 -10.820
411 HG GLU 50 QG GLU 50 -1.831 -8.267 -10.820
412 HE2 GLU 50 HE GLU 50 -2.448 -9.624 -12.282
413 H ASP 51 H ASP 51 -5.783 -7.735 -6.914
414 HA ASP 51 HA ASP 51 -8.123 -8.066 -8.624
415 HB ASP 51 2HB ASP 51 -7.257 -9.558 -6.108
416 HB ASP 51 QB ASP 51 -7.257 -9.558 -6.108
417 HD1 ASP 51 HD ASP 51 -10.534 -9.297 -7.955
418 H LEU 52 H LEU 52 -8.062 -5.556 -7.931
419 HA LEU 52 HA LEU 52 -9.027 -5.167 -5.221
420 HB LEU 52 2HB LEU 52 -8.699 -2.982 -7.236
421 HB LEU 52 QB LEU 52 -8.699 -2.982 -7.236
422 HG LEU 52 HG LEU 52 -8.117 -1.601 -5.470
423 1HD1 LEU 52 2HD1 LEU 52 -10.519 -2.732 -5.385
424 2HD1 LEU 52 3HD1 LEU 52 -9.916 -3.306 -3.812
425 3HD1 LEU 52 1HD1 LEU 52 -9.979 -1.562 -4.159
426 1HD2 LEU 52 2HD2 LEU 52 -7.260 -4.117 -4.098
427 2HD2 LEU 52 3HD2 LEU 52 -6.395 -2.577 -4.320
428 3HD2 LEU 52 1HD2 LEU 52 -7.697 -2.701 -3.112
429 H SER 53 H SER 53 -11.143 -5.587 -4.870
430 HA SER 53 HA SER 53 -12.970 -4.598 -6.916
431 HB SER 53 2HB SER 53 -12.964 -7.225 -5.419
432 HB SER 53 QB SER 53 -12.964 -7.225 -5.419
433 HG SER 53 HG SER 53 -15.271 -6.070 -6.735
434 H PHE 54 H PHE 54 -13.752 -6.187 -3.789
435 HA PHE 54 HA PHE 54 -15.606 -4.411 -2.961
436 HB PHE 54 2HB PHE 54 -13.482 -6.054 -1.471
437 HB PHE 54 QB PHE 54 -13.482 -6.054 -1.471
438 HD1 PHE 54 1HD PHE 54 -17.016 -5.683 -0.556
439 HD2 PHE 54 2HD PHE 54 -13.022 -4.638 0.426
440 HE1 PHE 54 1HE PHE 54 -17.783 -4.865 1.689
441 HE2 PHE 54 2HE PHE 54 -13.788 -3.821 2.672
442 HZ PHE 54 HZ PHE 54 -16.159 -3.944 3.277
443 H MET 55 H MET 55 -12.339 -4.466 -1.380
444 HA MET 55 HA MET 55 -11.399 -2.843 -0.194
445 HB MET 55 2HB MET 55 -11.487 -2.125 -3.109
446 HB MET 55 QB MET 55 -11.487 -2.125 -3.109
447 HG MET 55 2HG MET 55 -9.776 -0.184 -1.900
448 HG MET 55 QG MET 55 -9.776 -0.184 -1.900
449 1HE MET 55 3HE MET 55 -12.914 -1.462 -3.103
450 2HE MET 55 1HE MET 55 -13.870 0.021 -3.338
451 3HE MET 55 2HE MET 55 -13.080 -0.758 -4.730
452 H ASP 56 H ASP 56 -13.001 -2.165 1.330
453 HA ASP 56 HA ASP 56 -14.612 0.089 0.474
454 HB ASP 56 2HB ASP 56 -14.819 -1.207 3.199
455 HB ASP 56 QB ASP 56 -14.819 -1.207 3.199
456 HD2 ASP 56 HD ASP 56 -17.171 -1.460 3.650
457 H SER 57 H SER 57 -14.949 0.863 3.416
458 HA SER 57 HA SER 57 -12.478 2.355 3.591
459 HB SER 57 2HB SER 57 -14.662 3.568 3.661
460 HB SER 57 QB SER 57 -14.662 3.568 3.661
461 HG SER 57 HG SER 57 -16.179 3.103 5.121
462 H SER 58 H SER 58 -12.570 -0.527 4.264
463 HA SER 58 HA SER 58 -12.451 -0.489 7.150
464 HB SER 58 2HB SER 58 -12.777 -2.776 7.075
465 HB SER 58 QB SER 58 -12.777 -2.776 7.075
466 HG SER 58 HG SER 58 -14.531 -2.700 5.859
467 H GLY 59 H GLY 59 -10.423 -1.330 4.259
468 1HA GLY 59 1HA GLY 59 -8.043 -1.494 5.948
469 2HA GLY 59 2HA GLY 59 -8.185 -1.937 4.258
470 H LEU 60 H LEU 60 -9.836 0.870 4.204
471 HA LEU 60 HA LEU 60 -7.943 2.318 2.868
472 HB LEU 60 2HB LEU 60 -9.940 3.834 4.445
473 HB LEU 60 QB LEU 60 -9.940 3.834 4.445
474 HG LEU 60 HG LEU 60 -10.666 4.414 2.021
475 1HD1 LEU 60 3HD1 LEU 60 -9.612 5.987 3.566
476 2HD1 LEU 60 1HD1 LEU 60 -8.006 5.374 3.108
477 3HD1 LEU 60 2HD1 LEU 60 -9.013 6.212 1.905
478 1HD2 LEU 60 3HD2 LEU 60 -9.224 2.519 1.086
479 2HD2 LEU 60 1HD2 LEU 60 -9.146 4.097 0.266
480 3HD2 LEU 60 2HD2 LEU 60 -7.837 3.599 1.365
481 H GLY 61 H GLY 61 -8.700 2.287 6.392
482 1HA GLY 61 1HA GLY 61 -6.725 4.313 6.965
483 2HA GLY 61 2HA GLY 61 -7.697 3.405 8.106
484 H VAL 62 H VAL 62 -6.988 0.734 6.974
485 HA VAL 62 HA VAL 62 -4.714 0.254 8.540
486 HB VAL 62 HB VAL 62 -6.743 -1.206 7.401
487 1HG1 VAL 62 2HG1 VAL 62 -4.141 -1.966 6.034
488 2HG1 VAL 62 3HG1 VAL 62 -5.604 -2.981 6.073
489 3HG1 VAL 62 1HG1 VAL 62 -5.639 -1.400 5.257
490 1HG2 VAL 62 3HG2 VAL 62 -4.424 -1.678 9.132
491 2HG2 VAL 62 1HG2 VAL 62 -6.108 -2.231 9.294
492 3HG2 VAL 62 2HG2 VAL 62 -4.967 -3.139 8.274
493 H ILE 63 H ILE 63 -5.179 1.304 5.219
494 HA ILE 63 HA ILE 63 -2.487 0.531 4.476
495 HB ILE 63 HB ILE 63 -4.937 1.445 3.111
496 HG1 ILE 63 2HG1 ILE 63 -3.221 -0.819 3.145
497 HG1 ILE 63 QG1 ILE 63 -3.221 -0.819 3.145
498 1HG2 ILE 63 3HG2 ILE 63 -2.202 2.382 2.292
499 2HG2 ILE 63 1HG2 ILE 63 -3.442 2.023 1.067
500 3HG2 ILE 63 2HG2 ILE 63 -3.749 3.262 2.307
501 1HD1 ILE 63 1HD1 ILE 63 -5.871 -0.260 2.691
502 2HD1 ILE 63 2HD1 ILE 63 -5.313 -0.614 1.037
503 3HD1 ILE 63 3HD1 ILE 63 -5.108 -1.826 2.326
504 H LEU 64 H LEU 64 -4.385 3.392 5.461
505 HA LEU 64 HA LEU 64 -2.421 5.283 4.754
506 HB LEU 64 2HB LEU 64 -4.085 6.065 6.988
507 HB LEU 64 QB LEU 64 -4.085 6.065 6.988
508 HG LEU 64 HG LEU 64 -3.158 7.319 4.748
509 1HD1 LEU 64 3HD1 LEU 64 -4.759 6.117 3.310
510 2HD1 LEU 64 1HD1 LEU 64 -6.104 6.818 4.243
511 3HD1 LEU 64 2HD1 LEU 64 -5.023 7.878 3.304
512 1HD2 LEU 64 3HD2 LEU 64 -5.065 7.920 6.903
513 2HD2 LEU 64 1HD2 LEU 64 -3.669 8.848 6.302
514 3HD2 LEU 64 2HD2 LEU 64 -5.235 8.949 5.461
515 H GLY 65 H GLY 65 -3.127 3.397 7.743
516 1HA GLY 65 1HA GLY 65 -1.345 4.640 9.467
517 2HA GLY 65 2HA GLY 65 -1.862 2.967 9.549
518 H ARG 66 H ARG 66 -0.762 2.526 6.686
519 HA ARG 66 HA ARG 66 1.814 1.761 7.593
520 HB ARG 66 2HB ARG 66 1.557 1.427 4.739
521 HB ARG 66 QB ARG 66 1.557 1.427 4.739
522 HG ARG 66 2HG ARG 66 1.219 -1.013 5.459
523 HG ARG 66 QG ARG 66 1.219 -1.013 5.459
524 HD ARG 66 2HD ARG 66 3.507 -0.183 7.127
525 HD ARG 66 QD ARG 66 3.507 -0.183 7.127
526 HE ARG 66 HE ARG 66 4.052 -2.179 6.051
527 1HH1 ARG 66 2HH2 ARG 66 2.576 -0.003 3.675
528 2HH1 ARG 66 1HH2 ARG 66 2.855 -1.071 2.340
529 HH2 ARG 66 1HH ARG 66 3.941 -3.173 2.724
530 H TYR 67 H TYR 67 0.381 4.171 5.333
531 HA TYR 67 HA TYR 67 2.686 5.021 4.068
532 HB TYR 67 2HB TYR 67 0.596 7.005 4.997
533 HB TYR 67 QB TYR 67 0.596 7.005 4.997
534 HD1 TYR 67 1HD TYR 67 0.504 5.224 1.773
535 HD2 TYR 67 2HD TYR 67 1.895 8.705 3.835
536 HE1 TYR 67 1HE TYR 67 1.034 6.340 -0.450
537 HE2 TYR 67 2HE TYR 67 2.421 9.807 1.606
538 HH TYR 67 HH TYR 67 2.867 9.247 -0.616
539 H LYS 68 H LYS 68 1.244 6.042 7.221
540 HA LYS 68 HA LYS 68 3.390 7.938 7.611
541 HB LYS 68 2HB LYS 68 2.169 8.696 9.476
542 HB LYS 68 QB LYS 68 2.169 8.696 9.476
543 HG LYS 68 2HG LYS 68 -0.267 8.703 8.628
544 HG LYS 68 QG LYS 68 -0.267 8.703 8.628
545 HD LYS 68 2HD LYS 68 0.648 9.684 6.254
546 HD LYS 68 QD LYS 68 0.648 9.684 6.254
547 HE LYS 68 2HE LYS 68 1.198 11.011 8.951
548 HE LYS 68 QE LYS 68 1.198 11.011 8.951
549 1HZ LYS 68 1HZ LYS 68 0.250 12.779 7.062
550 2HZ LYS 68 2HZ LYS 68 1.785 12.694 7.600
551 H GLN 69 H GLN 69 3.453 4.728 7.531
552 HA GLN 69 HA GLN 69 4.860 4.459 10.063
553 HB GLN 69 2HB GLN 69 4.549 1.968 8.577
554 HB GLN 69 QB GLN 69 4.549 1.968 8.577
555 HG GLN 69 2HG GLN 69 4.792 2.531 11.153
556 HG GLN 69 QG GLN 69 4.792 2.531 11.153
557 1HE2 GLN 69 2HE2 GLN 69 2.194 4.490 12.417
558 2HE2 GLN 69 1HE2 GLN 69 3.859 4.373 11.952
559 H ILE 70 H ILE 70 5.105 3.792 6.512
560 HA ILE 70 HA ILE 70 7.791 2.913 6.674
561 HB ILE 70 HB ILE 70 6.163 2.287 4.918
562 HG1 ILE 70 2HG1 ILE 70 8.872 3.406 4.250
563 HG1 ILE 70 QG1 ILE 70 8.872 3.406 4.250
564 1HG2 ILE 70 3HG2 ILE 70 6.482 5.186 4.145
565 2HG2 ILE 70 1HG2 ILE 70 5.984 3.940 2.975
566 3HG2 ILE 70 2HG2 ILE 70 4.990 4.255 4.417
567 1HD1 ILE 70 1HD1 ILE 70 7.577 0.690 4.614
568 2HD1 ILE 70 2HD1 ILE 70 9.081 0.856 3.678
569 3HD1 ILE 70 3HD1 ILE 70 9.040 1.341 5.391
570 H LYS 71 H LYS 71 6.160 6.059 6.268
571 HA LYS 71 HA LYS 71 8.570 7.402 5.526
572 HB LYS 71 2HB LYS 71 6.728 9.302 6.419
573 HB LYS 71 QB LYS 71 6.728 9.302 6.419
574 HG LYS 71 2HG LYS 71 6.685 8.170 3.609
575 HG LYS 71 QG LYS 71 6.685 8.170 3.609
576 HD LYS 71 2HD LYS 71 7.186 11.051 4.194
577 HD LYS 71 QD LYS 71 7.186 11.051 4.194
578 HE LYS 71 2HE LYS 71 5.508 9.376 2.307
579 HE LYS 71 QE LYS 71 5.508 9.376 2.307
580 1HZ LYS 71 1HZ LYS 71 3.970 10.994 2.250
581 2HZ LYS 71 2HZ LYS 71 4.762 11.910 3.339
582 H GLN 72 H GLN 72 7.086 6.297 8.485
583 HA GLN 72 HA GLN 72 8.297 8.253 10.129
584 HB GLN 72 2HB GLN 72 6.360 6.199 10.422
585 HB GLN 72 QB GLN 72 6.360 6.199 10.422
586 HG GLN 72 2HG GLN 72 8.744 5.864 12.303
587 HG GLN 72 QG GLN 72 8.744 5.864 12.303
588 1HE2 GLN 72 2HE2 GLN 72 5.682 5.731 14.354
589 2HE2 GLN 72 1HE2 GLN 72 6.598 6.909 13.474
590 H ILE 73 H ILE 73 9.241 5.153 8.714
591 HA ILE 73 HA ILE 73 11.441 4.789 10.530
592 HB ILE 73 HB ILE 73 10.951 3.345 7.935
593 HG1 ILE 73 2HG1 ILE 73 8.996 3.566 9.819
594 HG1 ILE 73 QG1 ILE 73 8.996 3.566 9.819
595 1HG2 ILE 73 2HG2 ILE 73 12.939 3.161 9.924
596 2HG2 ILE 73 3HG2 ILE 73 11.881 1.745 10.142
597 3HG2 ILE 73 1HG2 ILE 73 12.642 2.055 8.562
598 1HD1 ILE 73 2HD1 ILE 73 9.386 2.183 7.479
599 2HD1 ILE 73 3HD1 ILE 73 9.270 0.844 8.644
600 3HD1 ILE 73 1HD1 ILE 73 7.939 2.016 8.501
601 H GLY 74 H GLY 74 10.790 6.247 7.353
602 1HA GLY 74 1HA GLY 74 12.360 8.081 6.850
603 2HA GLY 74 2HA GLY 74 13.660 6.953 7.179
604 H GLY 75 H GLY 75 10.688 5.810 5.611
605 1HA GLY 75 1HA GLY 75 12.196 5.572 3.075
606 2HA GLY 75 2HA GLY 75 11.070 4.374 3.682
607 H GLU 76 H GLU 76 9.566 4.437 1.981
608 HA GLU 76 HA GLU 76 7.865 6.745 2.045
609 HB GLU 76 2HB GLU 76 8.200 7.526 -0.084
610 HB GLU 76 QB GLU 76 8.200 7.526 -0.084
611 HG GLU 76 2HG GLU 76 10.611 6.936 -0.921
612 HG GLU 76 QG GLU 76 10.611 6.936 -0.921
613 HE2 GLU 76 HE GLU 76 12.055 7.301 1.660
614 H MET 77 H MET 77 5.701 6.268 1.343
615 HA MET 77 HA MET 77 5.300 3.408 0.921
616 HB MET 77 2HB MET 77 2.921 4.934 1.757
617 HB MET 77 QB MET 77 2.921 4.934 1.757
618 HG MET 77 2HG MET 77 3.235 3.290 3.782
619 HG MET 77 QG MET 77 3.235 3.290 3.782
620 1HE MET 77 1HE MET 77 1.129 3.561 3.292
621 2HE MET 77 2HE MET 77 0.258 3.218 1.778
622 3HE MET 77 3HE MET 77 0.403 1.957 3.026
623 H VAL 78 H VAL 78 4.410 2.774 -1.003
624 HA VAL 78 HA VAL 78 2.894 4.800 -2.490
625 HB VAL 78 HB VAL 78 4.911 2.852 -3.624
626 1HG1 VAL 78 2HG1 VAL 78 3.021 4.844 -4.867
627 2HG1 VAL 78 3HG1 VAL 78 4.545 4.405 -5.676
628 3HG1 VAL 78 1HG1 VAL 78 3.333 3.151 -5.316
629 1HG2 VAL 78 1HG2 VAL 78 5.093 5.752 -2.862
630 2HG2 VAL 78 2HG2 VAL 78 6.282 4.443 -2.657
631 3HG2 VAL 78 3HG2 VAL 78 6.010 5.156 -4.266
632 H VAL 79 H VAL 79 1.294 3.874 -3.997
633 HA VAL 79 HA VAL 79 0.740 1.062 -3.720
634 HB VAL 79 HB VAL 79 -0.252 1.971 -1.688
635 1HG1 VAL 79 2HG1 VAL 79 -1.551 3.895 -3.608
636 2HG1 VAL 79 3HG1 VAL 79 -2.337 3.483 -2.065
637 3HG1 VAL 79 1HG1 VAL 79 -0.718 4.221 -2.069
638 1HG2 VAL 79 1HG2 VAL 79 -1.991 0.890 -3.879
639 2HG2 VAL 79 2HG2 VAL 79 -1.478 0.137 -2.350
640 3HG2 VAL 79 3HG2 VAL 79 -2.747 1.387 -2.344
641 H CYS 80 H CYS 80 -0.130 0.305 -5.605
642 HA CYS 80 HA CYS 80 -1.481 2.246 -7.307
643 HB CYS 80 2HB CYS 80 0.990 2.028 -7.944
644 HB CYS 80 QB CYS 80 0.990 2.028 -7.944
645 HG CYS 80 HG CYS 80 0.699 -0.261 -9.934
646 H ALA 81 H ALA 81 -1.916 0.489 -9.498
647 HA ALA 81 HA ALA 81 -2.991 -1.347 -10.171
648 1HB ALA 81 1HB ALA 81 -1.730 -2.252 -7.809
649 2HB ALA 81 2HB ALA 81 -3.429 -2.767 -7.676
650 3HB ALA 81 3HB ALA 81 -2.463 -3.247 -9.092
651 H ILE 82 H ILE 82 -4.064 1.199 -8.816
652 HA ILE 82 HA ILE 82 -6.454 0.480 -7.509
653 HB ILE 82 HB ILE 82 -5.064 2.700 -7.597
654 HG1 ILE 82 2HG1 ILE 82 -7.993 2.254 -7.173
655 HG1 ILE 82 QG1 ILE 82 -7.993 2.254 -7.173
656 1HG2 ILE 82 1HG2 ILE 82 -5.951 2.740 -10.185
657 2HG2 ILE 82 2HG2 ILE 82 -7.146 3.779 -9.371
658 3HG2 ILE 82 3HG2 ILE 82 -5.411 4.161 -9.258
659 1HD1 ILE 82 3HD1 ILE 82 -6.211 1.612 -5.493
660 2HD1 ILE 82 1HD1 ILE 82 -5.770 3.333 -5.383
661 3HD1 ILE 82 2HD1 ILE 82 -7.389 2.795 -4.875
662 H SER 83 H SER 83 -8.254 2.266 -9.075
663 HA SER 83 HA SER 83 -8.466 1.328 -11.674
664 HB SER 83 2HB SER 83 -9.202 -0.673 -9.916
665 HB SER 83 QB SER 83 -9.202 -0.673 -9.916
666 HG SER 83 HG SER 83 -11.301 -0.585 -9.477
667 HA PRO 84 HA PRO 84 -11.614 4.347 -11.650
668 HB PRO 84 2HB PRO 84 -12.068 4.152 -13.899
669 HB PRO 84 QB PRO 84 -12.068 4.152 -13.899
670 HG PRO 84 2HG PRO 84 -11.627 2.071 -14.793
671 HG PRO 84 QG PRO 84 -11.627 2.071 -14.793
672 HD PRO 84 2HD PRO 84 -10.059 1.307 -13.296
673 HD PRO 84 QD PRO 84 -10.059 1.307 -13.296
674 H ALA 85 H ALA 85 -12.284 1.410 -10.275
675 HA ALA 85 HA ALA 85 -14.613 2.615 -8.953
676 1HB ALA 85 2HB ALA 85 -15.362 0.917 -10.580
677 2HB ALA 85 3HB ALA 85 -14.276 -0.281 -9.835
678 3HB ALA 85 1HB ALA 85 -15.649 0.375 -8.910
679 H VAL 86 H VAL 86 -11.783 2.729 -8.215
680 HA VAL 86 HA VAL 86 -12.049 1.452 -5.626
681 HB VAL 86 HB VAL 86 -10.002 0.745 -7.690
682 1HG1 VAL 86 1HG1 VAL 86 -8.958 1.784 -5.512
683 2HG1 VAL 86 2HG1 VAL 86 -9.399 0.216 -4.795
684 3HG1 VAL 86 3HG1 VAL 86 -8.300 0.279 -6.195
685 1HG2 VAL 86 1HG2 VAL 86 -11.971 -0.721 -7.141
686 2HG2 VAL 86 2HG2 VAL 86 -10.384 -1.497 -6.928
687 3HG2 VAL 86 3HG2 VAL 86 -11.291 -0.922 -5.509
688 H LYS 87 H LYS 87 -10.386 3.637 -7.925
689 HA LYS 87 HA LYS 87 -8.926 4.959 -5.854
690 HB LYS 87 2HB LYS 87 -8.698 4.736 -8.598
691 HB LYS 87 QB LYS 87 -8.698 4.736 -8.598
692 HG LYS 87 2HG LYS 87 -9.473 7.600 -7.866
693 HG LYS 87 QG LYS 87 -9.473 7.600 -7.866
694 HD LYS 87 2HD LYS 87 -8.560 6.411 -10.527
695 HD LYS 87 QD LYS 87 -8.560 6.411 -10.527
696 HE LYS 87 2HE LYS 87 -9.584 9.106 -9.634
697 HE LYS 87 QE LYS 87 -9.584 9.106 -9.634
698 1HZ LYS 87 1HZ LYS 87 -7.138 9.003 -10.738
699 2HZ LYS 87 2HZ LYS 87 -8.045 9.068 -12.089
700 H ARG 88 H ARG 88 -12.191 4.848 -6.677
701 HA ARG 88 HA ARG 88 -12.757 7.596 -6.406
702 HB ARG 88 2HB ARG 88 -14.513 6.577 -7.524
703 HB ARG 88 QB ARG 88 -14.513 6.577 -7.524
704 HG ARG 88 2HG ARG 88 -13.641 4.299 -7.453
705 HG ARG 88 QG ARG 88 -13.641 4.299 -7.453
706 HD ARG 88 2HD ARG 88 -14.196 4.604 -4.518
707 HD ARG 88 QD ARG 88 -14.196 4.604 -4.518
708 HE ARG 88 HE ARG 88 -14.150 1.811 -5.305
709 1HH1 ARG 88 2HH2 ARG 88 -16.330 4.567 -4.852
710 2HH1 ARG 88 1HH2 ARG 88 -17.721 3.577 -4.559
711 HH2 ARG 88 1HH ARG 88 -17.495 1.192 -4.602
712 H LEU 89 H LEU 89 -11.959 5.036 -4.222
713 HA LEU 89 HA LEU 89 -13.534 5.874 -2.016
714 HB LEU 89 2HB LEU 89 -11.252 4.490 -1.115
715 HB LEU 89 QB LEU 89 -11.252 4.490 -1.115
716 HG LEU 89 HG LEU 89 -13.791 3.099 -1.951
717 1HD1 LEU 89 1HD1 LEU 89 -11.729 1.890 -1.021
718 2HD1 LEU 89 2HD1 LEU 89 -12.149 2.644 0.536
719 3HD1 LEU 89 3HD1 LEU 89 -13.305 1.553 -0.264
720 1HD2 LEU 89 1HD2 LEU 89 -13.472 5.228 0.081
721 2HD2 LEU 89 2HD2 LEU 89 -14.916 4.681 -0.804
722 3HD2 LEU 89 3HD2 LEU 89 -14.337 3.766 0.609
723 H PHE 90 H PHE 90 -10.155 6.484 -3.136
724 HA PHE 90 HA PHE 90 -9.702 8.233 -0.890
725 HB PHE 90 2HB PHE 90 -7.448 8.343 -1.901
726 HB PHE 90 QB PHE 90 -7.448 8.343 -1.901
727 HD1 PHE 90 2HD PHE 90 -8.753 5.408 -3.711
728 HD2 PHE 90 1HD PHE 90 -6.848 6.801 -0.184
729 HE1 PHE 90 2HE PHE 90 -8.196 3.044 -3.078
730 HE2 PHE 90 1HE PHE 90 -6.291 4.437 0.449
731 HZ PHE 90 HZ PHE 90 -6.971 2.586 -1.007
732 H ASP 91 H ASP 91 -10.900 8.424 -4.174
733 HA ASP 91 HA ASP 91 -10.077 11.045 -4.693
734 HB ASP 91 2HB ASP 91 -12.622 10.345 -5.956
735 HB ASP 91 QB ASP 91 -12.622 10.345 -5.956
736 HD2 ASP 91 HD ASP 91 -11.377 11.527 -8.734
737 H MET 92 H MET 92 -12.864 9.496 -3.059
738 HA MET 92 HA MET 92 -14.359 11.917 -2.947
739 HB MET 92 2HB MET 92 -14.639 9.173 -1.607
740 HB MET 92 QB MET 92 -14.639 9.173 -1.607
741 HG MET 92 2HG MET 92 -16.813 11.296 -1.765
742 HG MET 92 QG MET 92 -16.813 11.296 -1.765
743 1HE MET 92 3HE MET 92 -17.600 11.020 1.068
744 2HE MET 92 1HE MET 92 -19.038 10.631 0.096
745 3HE MET 92 2HE MET 92 -18.537 9.548 1.417
746 H SER 93 H SER 93 -12.128 10.079 -0.843
747 HA SER 93 HA SER 93 -12.765 11.458 1.501
748 HB SER 93 2HB SER 93 -9.978 10.494 1.282
749 HB SER 93 QB SER 93 -9.978 10.494 1.282
750 HG SER 93 HG SER 93 -10.900 9.043 3.014
751 H GLY 94 H GLY 94 -9.990 11.763 -0.838
752 1HA GLY 94 1HA GLY 94 -9.265 13.872 -1.617
753 2HA GLY 94 2HA GLY 94 -9.824 14.617 -0.132
754 H LEU 95 H LEU 95 -8.578 11.896 1.125
755 HA LEU 95 HA LEU 95 -6.058 13.193 1.703
756 HB LEU 95 2HB LEU 95 -6.913 10.550 2.817
757 HB LEU 95 QB LEU 95 -6.913 10.550 2.817
758 HG LEU 95 HG LEU 95 -4.903 11.187 3.810
759 1HD1 LEU 95 3HD1 LEU 95 -5.948 14.014 3.689
760 2HD1 LEU 95 1HD1 LEU 95 -4.568 13.558 4.715
761 3HD1 LEU 95 2HD1 LEU 95 -4.482 13.327 2.952
762 1HD2 LEU 95 3HD2 LEU 95 -6.905 10.776 5.387
763 2HD2 LEU 95 1HD2 LEU 95 -5.408 11.460 6.066
764 3HD2 LEU 95 2HD2 LEU 95 -6.799 12.519 5.733
765 H PHE 96 H PHE 96 -7.036 11.624 -0.922
766 HA PHE 96 HA PHE 96 -5.558 9.373 -1.268
767 HB PHE 96 2HB PHE 96 -5.469 11.368 -3.501
768 HB PHE 96 QB PHE 96 -5.469 11.368 -3.501
769 HD1 PHE 96 2HD PHE 96 -5.041 8.241 -2.636
770 HD2 PHE 96 1HD PHE 96 -7.760 10.423 -5.056
771 HE1 PHE 96 2HE PHE 96 -5.471 6.183 -4.007
772 HE2 PHE 96 1HE PHE 96 -8.189 8.365 -6.428
773 HZ PHE 96 HZ PHE 96 -7.040 6.270 -5.887
774 H LYS 97 H LYS 97 -4.453 12.775 -1.255
775 HA LYS 97 HA LYS 97 -1.946 12.312 -2.413
776 HB LYS 97 2HB LYS 97 -1.377 14.509 -1.549
777 HB LYS 97 QB LYS 97 -1.377 14.509 -1.549
778 HG LYS 97 2HG LYS 97 -4.308 14.307 -2.388
779 HG LYS 97 QG LYS 97 -4.308 14.307 -2.388
780 HD LYS 97 2HD LYS 97 -3.115 16.669 -3.388
781 HD LYS 97 QD LYS 97 -3.115 16.669 -3.388
782 HE LYS 97 2HE LYS 97 -5.449 15.901 -2.031
783 HE LYS 97 QE LYS 97 -5.449 15.901 -2.031
784 1HZ LYS 97 1HZ LYS 97 -5.180 18.101 -0.468
785 2HZ LYS 97 2HZ LYS 97 -5.088 16.573 0.085
786 H ILE 98 H ILE 98 -3.301 11.496 0.696
787 HA ILE 98 HA ILE 98 -0.730 11.340 1.987
788 HB ILE 98 HB ILE 98 -3.321 11.692 2.836
789 HG1 ILE 98 2HG1 ILE 98 -2.143 12.479 4.544
790 HG1 ILE 98 QG1 ILE 98 -2.143 12.479 4.544
791 1HG2 ILE 98 3HG2 ILE 98 -2.465 8.861 3.478
792 2HG2 ILE 98 1HG2 ILE 98 -3.718 9.754 4.373
793 3HG2 ILE 98 2HG2 ILE 98 -3.944 9.396 2.644
794 1HD1 ILE 98 3HD1 ILE 98 -1.417 9.555 5.019
795 2HD1 ILE 98 1HD1 ILE 98 -0.939 10.874 6.115
796 3HD1 ILE 98 2HD1 ILE 98 -2.662 10.511 5.859
797 H ILE 99 H ILE 99 -2.537 9.467 -0.235
798 HA ILE 99 HA ILE 99 -1.061 7.067 0.600
799 HB ILE 99 HB ILE 99 -3.783 7.365 -0.655
800 HG1 ILE 99 2HG1 ILE 99 -4.487 6.011 1.288
801 HG1 ILE 99 QG1 ILE 99 -4.487 6.011 1.288
802 1HG2 ILE 99 2HG2 ILE 99 -2.510 5.628 -1.858
803 2HG2 ILE 99 3HG2 ILE 99 -2.200 4.805 -0.311
804 3HG2 ILE 99 1HG2 ILE 99 -3.866 4.958 -0.918
805 1HD1 ILE 99 2HD1 ILE 99 -1.737 5.471 1.552
806 2HD1 ILE 99 3HD1 ILE 99 -2.102 6.584 2.893
807 3HD1 ILE 99 1HD1 ILE 99 -3.011 5.062 2.726
808 H ARG 100 H ARG 100 -1.426 9.587 -1.696
809 HA ARG 100 HA ARG 100 -0.929 9.758 -3.843
810 HB ARG 100 2HB ARG 100 1.536 9.421 -4.220
811 HB ARG 100 QB ARG 100 1.536 9.421 -4.220
812 HG ARG 100 2HG ARG 100 0.871 10.405 -1.405
813 HG ARG 100 QG ARG 100 0.871 10.405 -1.405
814 HD ARG 100 2HD ARG 100 3.026 11.579 -3.153
815 HD ARG 100 QD ARG 100 3.026 11.579 -3.153
816 HE ARG 100 HE ARG 100 2.284 11.662 -0.352
817 1HH1 ARG 100 2HH2 ARG 100 5.082 11.845 -2.518
818 2HH1 ARG 100 1HH2 ARG 100 6.036 12.775 -1.410
819 HH2 ARG 100 1HH ARG 100 5.109 13.378 0.716
820 H PHE 101 H PHE 101 -2.317 8.294 -4.989
821 HA PHE 101 HA PHE 101 -1.192 5.635 -5.475
822 HB PHE 101 2HB PHE 101 -3.888 6.263 -6.525
823 HB PHE 101 QB PHE 101 -3.888 6.263 -6.525
824 HD1 PHE 101 2HD PHE 101 -3.316 3.881 -7.200
825 HD2 PHE 101 1HD PHE 101 -3.882 5.043 -3.157
826 HE1 PHE 101 2HE PHE 101 -3.693 1.482 -6.563
827 HE2 PHE 101 1HE PHE 101 -4.260 2.644 -2.521
828 HZ PHE 101 HZ PHE 101 -4.160 0.893 -4.232
829 H GLU 102 H GLU 102 -1.942 4.783 -7.796
830 HA GLU 102 HA GLU 102 -1.951 6.844 -9.767
831 HB GLU 102 2HB GLU 102 0.269 4.921 -10.260
832 HB GLU 102 QB GLU 102 0.269 4.921 -10.260
833 HG GLU 102 2HG GLU 102 1.235 6.762 -11.374
834 HG GLU 102 QG GLU 102 1.235 6.762 -11.374
835 HE2 GLU 102 HE GLU 102 -1.101 8.901 -11.346
836 H GLN 103 H GLN 103 -0.753 4.715 -11.706
837 HA GLN 103 HA GLN 103 -2.662 2.605 -11.519
838 HB GLN 103 2HB GLN 103 -3.652 3.081 -13.793
839 HB GLN 103 QB GLN 103 -3.652 3.081 -13.793
840 HG GLN 103 2HG GLN 103 -4.066 5.309 -11.742
841 HG GLN 103 QG GLN 103 -4.066 5.309 -11.742
842 1HE2 GLN 103 2HE2 GLN 103 -7.317 5.937 -13.162
843 2HE2 GLN 103 1HE2 GLN 103 -6.508 5.701 -11.649
844 H SER 104 H SER 104 -1.023 1.071 -11.636
845 HA SER 104 HA SER 104 0.616 -0.111 -12.434
846 HB SER 104 2HB SER 104 -0.764 0.789 -14.967
847 HB SER 104 QB SER 104 -0.764 0.789 -14.967
848 HG SER 104 HG SER 104 1.378 0.462 -15.686
849 H GLU 105 H GLU 105 0.494 2.779 -14.657
850 HA GLU 105 HA GLU 105 3.028 2.992 -15.346
851 HB GLU 105 2HB GLU 105 1.213 5.262 -14.425
852 HB GLU 105 QB GLU 105 1.213 5.262 -14.425
853 HG GLU 105 2HG GLU 105 3.783 5.263 -16.068
854 HG GLU 105 QG GLU 105 3.783 5.263 -16.068
855 HE2 GLU 105 HE GLU 105 3.273 8.590 -16.833
856 H GLN 106 H GLN 106 1.744 3.444 -12.082
857 HA GLN 106 HA GLN 106 3.990 4.826 -11.100
858 HB GLN 106 2HB GLN 106 1.555 3.511 -9.943
859 HB GLN 106 QB GLN 106 1.555 3.511 -9.943
860 HG GLN 106 2HG GLN 106 4.123 4.087 -8.420
861 HG GLN 106 QG GLN 106 4.123 4.087 -8.420
862 1HE2 GLN 106 2HE2 GLN 106 2.018 6.079 -6.344
863 2HE2 GLN 106 1HE2 GLN 106 3.095 6.119 -7.700
864 H GLN 107 H GLN 107 3.482 1.588 -12.096
865 HA GLN 107 HA GLN 107 4.596 -0.059 -10.399
866 HB GLN 107 2HB GLN 107 3.972 -0.431 -12.872
867 HB GLN 107 QB GLN 107 3.972 -0.431 -12.872
868 HG GLN 107 2HG GLN 107 6.951 0.162 -13.195
869 HG GLN 107 QG GLN 107 6.951 0.162 -13.195
870 1HE2 GLN 107 2HE2 GLN 107 6.950 -1.095 -16.487
871 2HE2 GLN 107 1HE2 GLN 107 7.669 0.014 -15.368
872 H ALA 108 H ALA 108 6.263 2.648 -11.971
873 HA ALA 108 HA ALA 108 8.862 1.729 -11.100
874 1HB ALA 108 3HB ALA 108 8.439 2.919 -13.281
875 2HB ALA 108 1HB ALA 108 8.028 4.377 -12.347
876 3HB ALA 108 2HB ALA 108 9.671 3.697 -12.257
877 H LEU 109 H LEU 109 6.617 4.509 -10.435
878 HA LEU 109 HA LEU 109 8.178 5.491 -8.309
879 HB LEU 109 2HB LEU 109 5.434 6.219 -8.028
880 HB LEU 109 QB LEU 109 5.434 6.219 -8.028
881 HG LEU 109 HG LEU 109 7.738 7.718 -9.306
882 1HD1 LEU 109 2HD1 LEU 109 5.203 8.370 -9.749
883 2HD1 LEU 109 3HD1 LEU 109 5.372 9.114 -8.141
884 3HD1 LEU 109 1HD1 LEU 109 6.460 9.599 -9.464
885 1HD2 LEU 109 2HD2 LEU 109 7.735 6.928 -6.774
886 2HD2 LEU 109 3HD2 LEU 109 8.328 8.534 -7.260
887 3HD2 LEU 109 1HD2 LEU 109 6.690 8.357 -6.586
888 H LEU 110 H LEU 110 6.124 2.730 -8.642
889 HA LEU 110 HA LEU 110 5.069 2.583 -6.062
890 HB LEU 110 2HB LEU 110 5.861 0.214 -7.739
891 HB LEU 110 QB LEU 110 5.861 0.214 -7.739
892 HG LEU 110 HG LEU 110 4.674 -0.115 -5.508
893 1HD1 LEU 110 1HD1 LEU 110 2.915 1.832 -6.661
894 2HD1 LEU 110 2HD1 LEU 110 2.018 0.317 -6.389
895 3HD1 LEU 110 3HD1 LEU 110 2.879 1.097 -5.040
896 1HD2 LEU 110 2HD2 LEU 110 4.736 -1.738 -7.439
897 2HD2 LEU 110 3HD2 LEU 110 3.354 -1.909 -6.330
898 3HD2 LEU 110 1HD2 LEU 110 3.136 -1.118 -7.910
899 H THR 111 H THR 111 8.228 1.574 -7.457
900 HA THR 111 HA THR 111 9.146 0.172 -5.220
901 HB THR 111 HB THR 111 10.889 1.796 -7.119
902 HG1 THR 111 1HG THR 111 9.354 -0.681 -7.493
903 1HG2 THR 111 1HG2 THR 111 11.027 -1.065 -6.026
904 2HG2 THR 111 2HG2 THR 111 12.218 -0.315 -7.116
905 3HG2 THR 111 3HG2 THR 111 12.022 0.297 -5.456
906 H LEU 112 H LEU 112 8.128 3.338 -5.299
907 HA LEU 112 HA LEU 112 8.184 4.588 -3.345
908 HB LEU 112 2HB LEU 112 9.811 2.775 -2.415
909 HB LEU 112 QB LEU 112 9.811 2.775 -2.415
910 HG LEU 112 HG LEU 112 12.014 3.057 -2.495
911 1HD1 LEU 112 2HD1 LEU 112 11.138 3.776 -4.887
912 2HD1 LEU 112 3HD1 LEU 112 11.893 5.323 -4.435
913 3HD1 LEU 112 1HD1 LEU 112 12.866 3.833 -4.465
914 1HD2 LEU 112 2HD2 LEU 112 11.679 4.949 -0.856
915 2HD2 LEU 112 3HD2 LEU 112 13.170 5.016 -1.826
916 3HD2 LEU 112 1HD2 LEU 112 11.791 6.061 -2.242
917 H GLY 113 H GLY 113 9.322 4.619 -6.328
918 1HA GLY 113 1HA GLY 113 9.861 6.330 -7.700
919 2HA GLY 113 2HA GLY 113 9.817 7.430 -6.338
920 H VAL 114 H VAL 114 11.821 4.446 -6.588
921 HA VAL 114 HA VAL 114 14.161 5.729 -7.436
922 HB VAL 114 HB VAL 114 13.561 5.770 -4.534
923 1HG1 VAL 114 1HG1 VAL 114 16.099 4.675 -5.665
924 2HG1 VAL 114 2HG1 VAL 114 16.224 5.808 -4.297
925 3HG1 VAL 114 3HG1 VAL 114 15.275 4.311 -4.130
926 1HG2 VAL 114 1HG2 VAL 114 14.674 7.520 -6.613
927 2HG2 VAL 114 2HG2 VAL 114 13.821 7.926 -5.104
928 3HG2 VAL 114 3HG2 VAL 114 15.567 7.584 -5.075
929 H ALA 115 H ALA 115 13.895 3.778 -8.747
930 HA ALA 115 HA ALA 115 15.536 1.815 -8.476
931 1HB ALA 115 1HB ALA 115 13.367 1.367 -6.433
932 2HB ALA 115 2HB ALA 115 14.122 -0.034 -7.230
933 3HB ALA 115 3HB ALA 115 15.123 1.106 -6.298
934 H SER 116 H SER 116 15.172 1.809 -10.710
935 HA SER 116 HA SER 116 14.192 1.391 -12.611
936 HB SER 116 2HB SER 116 12.504 -0.859 -11.801
937 HB SER 116 QB SER 116 12.504 -0.859 -11.801
938 HG SER 116 HG SER 116 14.264 -0.255 -13.721
No H/Q in entry = 795
Start of MODEL 3
1 H SER 1 H SER 1 -10.926 -13.934 1.994
2 HA SER 1 HA SER 1 -9.569 -15.755 1.268
3 HB SER 1 2HB SER 1 -10.978 -17.027 -0.126
4 HB SER 1 QB SER 1 -10.978 -17.027 -0.126
5 HG SER 1 HG SER 1 -12.580 -15.763 -0.910
6 H LEU 2 H LEU 2 -8.266 -13.806 1.737
7 HA LEU 2 HA LEU 2 -7.714 -12.210 -0.663
8 HB LEU 2 2HB LEU 2 -7.638 -11.622 2.272
9 HB LEU 2 QB LEU 2 -7.638 -11.622 2.272
10 HG LEU 2 HG LEU 2 -5.601 -10.710 0.517
11 1HD1 LEU 2 2HD1 LEU 2 -7.728 -9.106 0.011
12 2HD1 LEU 2 3HD1 LEU 2 -6.981 -8.243 1.378
13 3HD1 LEU 2 1HD1 LEU 2 -6.029 -8.585 -0.086
14 1HD2 LEU 2 3HD2 LEU 2 -6.482 -10.214 3.327
15 2HD2 LEU 2 1HD2 LEU 2 -4.958 -10.886 2.700
16 3HD2 LEU 2 2HD2 LEU 2 -5.259 -9.134 2.616
17 H GLY 3 H GLY 3 -5.586 -12.000 -1.422
18 1HA GLY 3 1HA GLY 3 -3.795 -14.125 -0.508
19 2HA GLY 3 2HA GLY 3 -3.690 -13.210 -1.999
20 H ILE 4 H ILE 4 -1.332 -13.097 -1.239
21 HA ILE 4 HA ILE 4 -0.728 -10.539 -0.434
22 HB ILE 4 HB ILE 4 -1.672 -11.807 1.753
23 HG1 ILE 4 2HG1 ILE 4 -0.161 -10.090 3.015
24 HG1 ILE 4 QG1 ILE 4 -0.161 -10.090 3.015
25 1HG2 ILE 4 1HG2 ILE 4 0.296 -13.420 1.564
26 2HG2 ILE 4 2HG2 ILE 4 1.318 -12.057 2.077
27 3HG2 ILE 4 3HG2 ILE 4 0.024 -12.649 3.144
28 1HD1 ILE 4 1HD1 ILE 4 1.427 -9.981 0.959
29 2HD1 ILE 4 2HD1 ILE 4 0.136 -9.034 0.181
30 3HD1 ILE 4 3HD1 ILE 4 0.902 -8.436 1.672
31 H ASP 5 H ASP 5 1.412 -10.130 -0.930
32 HA ASP 5 HA ASP 5 3.129 -12.457 -1.131
33 HB ASP 5 2HB ASP 5 3.184 -10.340 -3.297
34 HB ASP 5 QB ASP 5 3.184 -10.340 -3.297
35 HD1 ASP 5 HD ASP 5 5.355 -13.188 -2.728
36 H MET 6 H MET 6 5.517 -11.531 -1.713
37 HA MET 6 HA MET 6 5.923 -8.845 -0.853
38 HB MET 6 2HB MET 6 7.708 -10.233 0.848
39 HB MET 6 QB MET 6 7.708 -10.233 0.848
40 HG MET 6 2HG MET 6 4.973 -9.265 1.763
41 HG MET 6 QG MET 6 4.973 -9.265 1.763
42 1HE MET 6 1HE MET 6 8.458 -8.087 1.915
43 2HE MET 6 2HE MET 6 7.956 -7.112 3.317
44 3HE MET 6 3HE MET 6 9.084 -8.471 3.537
45 H ASN 7 H ASN 7 7.813 -8.013 -1.743
46 HA ASN 7 HA ASN 7 9.700 -9.981 -2.752
47 HB ASN 7 2HB ASN 7 9.629 -7.688 -4.525
48 HB ASN 7 QB ASN 7 9.629 -7.688 -4.525
49 1HD2 ASN 7 2HD2 ASN 7 10.851 -10.431 -6.323
50 2HD2 ASN 7 1HD2 ASN 7 11.208 -9.003 -5.412
51 H VAL 8 H VAL 8 11.771 -8.558 -3.610
52 HA VAL 8 HA VAL 8 12.128 -6.197 -1.948
53 HB VAL 8 HB VAL 8 13.205 -8.803 -1.352
54 1HG1 VAL 8 2HG1 VAL 8 15.233 -6.615 -1.916
55 2HG1 VAL 8 3HG1 VAL 8 15.569 -8.091 -0.979
56 3HG1 VAL 8 1HG1 VAL 8 15.123 -8.210 -2.697
57 1HG2 VAL 8 3HG2 VAL 8 12.306 -6.611 0.022
58 2HG2 VAL 8 1HG2 VAL 8 13.201 -7.971 0.743
59 3HG2 VAL 8 2HG2 VAL 8 14.064 -6.489 0.267
60 H LYS 9 H LYS 9 13.418 -4.654 -2.930
61 HA LYS 9 HA LYS 9 15.079 -5.467 -5.155
62 HB LYS 9 2HB LYS 9 13.880 -4.605 -6.848
63 HB LYS 9 QB LYS 9 13.880 -4.605 -6.848
64 HG LYS 9 2HG LYS 9 11.328 -4.350 -6.210
65 HG LYS 9 QG LYS 9 11.328 -4.350 -6.210
66 HD LYS 9 2HD LYS 9 11.739 -7.063 -5.473
67 HD LYS 9 QD LYS 9 11.739 -7.063 -5.473
68 HE LYS 9 2HE LYS 9 10.752 -5.502 -7.719
69 HE LYS 9 QE LYS 9 10.752 -5.502 -7.719
70 1HZ LYS 9 1HZ LYS 9 11.830 -6.441 -9.434
71 2HZ LYS 9 2HZ LYS 9 12.862 -7.187 -8.419
72 H GLU 10 H GLU 10 16.973 -4.683 -4.358
73 HA GLU 10 HA GLU 10 18.468 -3.266 -3.676
74 HB GLU 10 2HB GLU 10 16.463 -1.328 -4.844
75 HB GLU 10 QB GLU 10 16.463 -1.328 -4.844
76 HG GLU 10 2HG GLU 10 18.752 -0.705 -3.030
77 HG GLU 10 QG GLU 10 18.752 -0.705 -3.030
78 HE2 GLU 10 HE GLU 10 19.579 2.129 -4.175
79 H SER 11 H SER 11 15.167 -2.897 -2.486
80 HA SER 11 HA SER 11 15.682 -3.092 0.091
81 HB SER 11 2HB SER 11 16.839 -1.265 0.759
82 HB SER 11 QB SER 11 16.839 -1.265 0.759
83 HG SER 11 HG SER 11 17.567 0.196 -0.676
84 H VAL 12 H VAL 12 13.813 -2.365 -2.563
85 HA VAL 12 HA VAL 12 11.521 -1.415 -1.032
86 HB VAL 12 HB VAL 12 12.220 -0.349 -3.179
87 1HG1 VAL 12 2HG1 VAL 12 12.535 -2.903 -4.115
88 2HG1 VAL 12 3HG1 VAL 12 10.962 -2.455 -4.819
89 3HG1 VAL 12 1HG1 VAL 12 12.398 -1.452 -5.137
90 1HG2 VAL 12 3HG2 VAL 12 9.930 -0.142 -2.291
91 2HG2 VAL 12 1HG2 VAL 12 9.952 -0.147 -4.070
92 3HG2 VAL 12 2HG2 VAL 12 9.456 -1.608 -3.182
93 H LEU 13 H LEU 13 10.058 -2.824 -0.226
94 HA LEU 13 HA LEU 13 10.157 -5.557 -1.256
95 HB LEU 13 2HB LEU 13 10.029 -6.169 0.850
96 HB LEU 13 QB LEU 13 10.029 -6.169 0.850
97 HG LEU 13 HG LEU 13 10.322 -4.744 2.684
98 1HD1 LEU 13 3HD1 LEU 13 11.889 -4.439 0.434
99 2HD1 LEU 13 1HD1 LEU 13 11.529 -2.760 0.907
100 3HD1 LEU 13 2HD1 LEU 13 12.282 -3.872 2.075
101 1HD2 LEU 13 1HD2 LEU 13 8.673 -2.823 1.111
102 2HD2 LEU 13 2HD2 LEU 13 8.610 -3.254 2.837
103 3HD2 LEU 13 3HD2 LEU 13 9.877 -2.155 2.240
104 H CYS 14 H CYS 14 8.783 -5.913 -2.919
105 HA CYS 14 HA CYS 14 6.486 -4.293 -3.276
106 HB CYS 14 2HB CYS 14 6.287 -5.287 -5.330
107 HB CYS 14 QB CYS 14 6.287 -5.287 -5.330
108 HG CYS 14 HG CYS 14 8.740 -6.547 -6.087
109 H ILE 15 H ILE 15 4.437 -4.634 -2.453
110 HA ILE 15 HA ILE 15 4.003 -7.207 -1.106
111 HB ILE 15 HB ILE 15 3.139 -4.401 -0.513
112 HG1 ILE 15 2HG1 ILE 15 4.026 -4.828 1.645
113 HG1 ILE 15 QG1 ILE 15 4.026 -4.828 1.645
114 1HG2 ILE 15 2HG2 ILE 15 1.710 -6.930 0.330
115 2HG2 ILE 15 3HG2 ILE 15 1.560 -5.379 1.190
116 3HG2 ILE 15 1HG2 ILE 15 1.037 -5.510 -0.507
117 1HD1 ILE 15 1HD1 ILE 15 4.309 -7.739 0.764
118 2HD1 ILE 15 2HD1 ILE 15 4.906 -7.061 2.298
119 3HD1 ILE 15 3HD1 ILE 15 3.156 -7.127 1.974
120 H ARG 16 H ARG 16 3.226 -8.419 -2.854
121 HA ARG 16 HA ARG 16 1.046 -7.252 -4.334
122 HB ARG 16 2HB ARG 16 1.549 -9.975 -5.131
123 HB ARG 16 QB ARG 16 1.549 -9.975 -5.131
124 HG ARG 16 2HG ARG 16 1.699 -7.238 -6.243
125 HG ARG 16 QG ARG 16 1.699 -7.238 -6.243
126 HD ARG 16 2HD ARG 16 3.719 -9.352 -7.018
127 HD ARG 16 QD ARG 16 3.719 -9.352 -7.018
128 HE ARG 16 HE ARG 16 3.123 -7.382 -9.100
129 1HH1 ARG 16 2HH2 ARG 16 2.386 -10.644 -7.927
130 2HH1 ARG 16 1HH2 ARG 16 1.861 -11.215 -9.475
131 HH2 ARG 16 1HH ARG 16 1.895 -9.724 -11.351
132 H LEU 17 H LEU 17 -0.989 -7.500 -3.459
133 HA LEU 17 HA LEU 17 -1.548 -10.068 -2.145
134 HB LEU 17 2HB LEU 17 -1.516 -7.569 -0.967
135 HB LEU 17 QB LEU 17 -1.516 -7.569 -0.967
136 HG LEU 17 HG LEU 17 -4.376 -8.365 -1.548
137 1HD1 LEU 17 1HD1 LEU 17 -3.339 -6.626 0.707
138 2HD1 LEU 17 2HD1 LEU 17 -5.046 -6.790 0.229
139 3HD1 LEU 17 3HD1 LEU 17 -4.160 -8.198 0.859
140 1HD2 LEU 17 2HD2 LEU 17 -2.963 -6.606 -2.913
141 2HD2 LEU 17 3HD2 LEU 17 -4.664 -6.300 -2.490
142 3HD2 LEU 17 1HD2 LEU 17 -3.361 -5.552 -1.535
143 H THR 18 H THR 18 -3.436 -11.136 -2.732
144 HA THR 18 HA THR 18 -5.078 -9.776 -4.761
145 HB THR 18 HB THR 18 -5.190 -12.301 -5.651
146 HG1 THR 18 1HG THR 18 -3.547 -13.499 -4.744
147 1HG2 THR 18 1HG2 THR 18 -2.889 -10.331 -6.009
148 2HG2 THR 18 2HG2 THR 18 -2.906 -11.893 -6.863
149 3HG2 THR 18 3HG2 THR 18 -4.202 -10.708 -7.150
150 H GLY 19 H GLY 19 -7.069 -9.465 -4.008
151 1HA GLY 19 1HA GLY 19 -8.837 -11.386 -3.275
152 2HA GLY 19 2HA GLY 19 -8.035 -10.995 -1.766
153 H GLU 20 H GLU 20 -9.405 -9.700 -0.605
154 HA GLU 20 HA GLU 20 -10.443 -7.382 -2.038
155 HB GLU 20 2HB GLU 20 -12.251 -7.800 0.040
156 HB GLU 20 QB GLU 20 -12.251 -7.800 0.040
157 HG GLU 20 2HG GLU 20 -12.448 -7.379 -2.604
158 HG GLU 20 QG GLU 20 -12.448 -7.379 -2.604
159 HE1 GLU 20 HE GLU 20 -11.581 -10.745 -2.157
160 H LEU 21 H LEU 21 -10.734 -5.427 -0.693
161 HA LEU 21 HA LEU 21 -8.942 -5.498 1.632
162 HB LEU 21 2HB LEU 21 -9.407 -2.853 0.637
163 HB LEU 21 QB LEU 21 -9.407 -2.853 0.637
164 HG LEU 21 HG LEU 21 -7.145 -2.593 0.699
165 1HD1 LEU 21 3HD1 LEU 21 -8.151 -4.037 2.763
166 2HD1 LEU 21 1HD1 LEU 21 -6.802 -5.081 2.254
167 3HD1 LEU 21 2HD1 LEU 21 -6.495 -3.385 2.701
168 1HD2 LEU 21 3HD2 LEU 21 -7.123 -5.144 -0.744
169 2HD2 LEU 21 1HD2 LEU 21 -6.058 -3.725 -0.891
170 3HD2 LEU 21 2HD2 LEU 21 -5.751 -4.942 0.371
171 H ASP 22 H ASP 22 -10.203 -5.768 3.417
172 HA ASP 22 HA ASP 22 -12.170 -3.722 3.856
173 HB ASP 22 2HB ASP 22 -13.976 -5.053 3.555
174 HB ASP 22 QB ASP 22 -13.976 -5.053 3.555
175 HD2 ASP 22 HD ASP 22 -13.234 -8.163 4.099
176 H HIS 23 H HIS 23 -12.960 -3.908 6.266
177 HA HIS 23 HA HIS 23 -10.927 -3.842 7.996
178 HB HIS 23 2HB HIS 23 -13.482 -3.360 8.252
179 HB HIS 23 QB HIS 23 -13.482 -3.360 8.252
180 HD1 HIS 23 1HD HIS 23 -13.008 -5.840 10.997
181 HD2 HIS 23 2HD HIS 23 -15.260 -5.489 7.477
182 HE1 HIS 23 1HE HIS 23 -14.808 -7.643 11.119
183 H HIS 24 H HIS 24 -12.399 -6.719 6.583
184 HA HIS 24 HA HIS 24 -11.326 -8.499 8.529
185 HB HIS 24 2HB HIS 24 -11.897 -10.105 6.446
186 HB HIS 24 QB HIS 24 -11.897 -10.105 6.446
187 HD1 HIS 24 1HD HIS 24 -15.198 -8.857 6.782
188 HD2 HIS 24 2HD HIS 24 -12.524 -10.722 9.422
189 HE1 HIS 24 1HE HIS 24 -16.613 -9.804 8.684
190 H THR 25 H THR 25 -10.541 -7.721 5.066
191 HA THR 25 HA THR 25 -8.077 -9.195 5.244
192 HB THR 25 HB THR 25 -8.040 -8.868 2.912
193 HG1 THR 25 1HG THR 25 -7.909 -6.530 3.068
194 1HG2 THR 25 2HG2 THR 25 -10.474 -9.593 3.789
195 2HG2 THR 25 3HG2 THR 25 -10.919 -7.977 3.187
196 3HG2 THR 25 1HG2 THR 25 -10.218 -9.179 2.076
197 H ALA 26 H ALA 26 -9.109 -6.119 6.287
198 HA ALA 26 HA ALA 26 -6.659 -4.750 5.722
199 1HB ALA 26 2HB ALA 26 -9.310 -4.122 6.582
200 2HB ALA 26 3HB ALA 26 -8.189 -3.540 7.837
201 3HB ALA 26 1HB ALA 26 -7.997 -2.999 6.152
202 H GLU 27 H GLU 27 -7.942 -6.890 8.214
203 HA GLU 27 HA GLU 27 -6.322 -6.063 10.304
204 HB GLU 27 2HB GLU 27 -6.743 -8.888 10.512
205 HB GLU 27 QB GLU 27 -6.743 -8.888 10.512
206 HG GLU 27 2HG GLU 27 -6.984 -7.001 12.257
207 HG GLU 27 QG GLU 27 -6.984 -7.001 12.257
208 HE2 GLU 27 HE GLU 27 -10.789 -6.338 11.306
209 H THR 28 H THR 28 -5.849 -8.549 7.719
210 HA THR 28 HA THR 28 -3.523 -9.697 8.557
211 HB THR 28 HB THR 28 -4.842 -9.083 5.919
212 HG1 THR 28 1HG THR 28 -5.169 -11.270 6.237
213 1HG2 THR 28 3HG2 THR 28 -1.939 -9.873 6.298
214 2HG2 THR 28 1HG2 THR 28 -2.883 -10.646 5.002
215 3HG2 THR 28 2HG2 THR 28 -2.667 -8.879 5.014
216 H LEU 29 H LEU 29 -3.849 -6.607 6.702
217 HA LEU 29 HA LEU 29 -1.066 -6.167 6.636
218 HB LEU 29 2HB LEU 29 -2.908 -3.857 6.513
219 HB LEU 29 QB LEU 29 -2.908 -3.857 6.513
220 HG LEU 29 HG LEU 29 -0.712 -3.484 5.650
221 1HD1 LEU 29 3HD1 LEU 29 -0.982 -6.216 4.659
222 2HD1 LEU 29 1HD1 LEU 29 -0.332 -5.101 3.433
223 3HD1 LEU 29 2HD1 LEU 29 0.476 -5.258 5.012
224 1HD2 LEU 29 2HD2 LEU 29 -2.970 -3.642 3.715
225 2HD2 LEU 29 3HD2 LEU 29 -2.032 -2.240 4.284
226 3HD2 LEU 29 1HD2 LEU 29 -1.344 -3.333 3.060
227 H LYS 30 H LYS 30 -3.585 -5.671 9.053
228 HA LYS 30 HA LYS 30 -2.533 -3.635 10.543
229 HB LYS 30 2HB LYS 30 -3.689 -6.022 11.933
230 HB LYS 30 QB LYS 30 -3.689 -6.022 11.933
231 HG LYS 30 2HG LYS 30 -5.168 -4.013 12.760
232 HG LYS 30 QG LYS 30 -5.168 -4.013 12.760
233 HD LYS 30 2HD LYS 30 -3.482 -3.396 14.451
234 HD LYS 30 QD LYS 30 -3.482 -3.396 14.451
235 HE LYS 30 2HE LYS 30 -2.582 -6.184 14.076
236 HE LYS 30 QE LYS 30 -2.582 -6.184 14.076
237 1HZ LYS 30 1HZ LYS 30 -2.794 -5.876 16.280
238 2HZ LYS 30 2HZ LYS 30 -3.630 -4.489 16.108
239 H GLN 31 H GLN 31 -1.592 -7.111 10.456
240 HA GLN 31 HA GLN 31 0.303 -6.733 12.536
241 HB GLN 31 2HB GLN 31 -0.960 -8.905 11.899
242 HB GLN 31 QB GLN 31 -0.960 -8.905 11.899
243 HG GLN 31 2HG GLN 31 1.389 -9.587 10.178
244 HG GLN 31 QG GLN 31 1.389 -9.587 10.178
245 1HE2 GLN 31 2HE2 GLN 31 -2.532 -10.952 9.970
246 2HE2 GLN 31 1HE2 GLN 31 -2.161 -9.305 10.362
247 H LYS 32 H LYS 32 0.249 -6.586 8.988
248 HA LYS 32 HA LYS 32 3.027 -6.830 8.600
249 HB LYS 32 2HB LYS 32 0.858 -5.572 6.895
250 HB LYS 32 QB LYS 32 0.858 -5.572 6.895
251 HG LYS 32 2HG LYS 32 3.084 -4.748 6.211
252 HG LYS 32 QG LYS 32 3.084 -4.748 6.211
253 HD LYS 32 2HD LYS 32 3.799 -7.710 6.311
254 HD LYS 32 QD LYS 32 3.799 -7.710 6.311
255 HE LYS 32 2HE LYS 32 4.809 -5.556 4.541
256 HE LYS 32 QE LYS 32 4.809 -5.556 4.541
257 1HZ LYS 32 1HZ LYS 32 6.733 -7.183 6.120
258 2HZ LYS 32 2HZ LYS 32 7.125 -6.229 4.860
259 H VAL 33 H VAL 33 1.144 -4.438 10.147
260 HA VAL 33 HA VAL 33 2.719 -2.190 9.339
261 HB VAL 33 HB VAL 33 0.885 -2.453 11.721
262 1HG1 VAL 33 2HG1 VAL 33 2.235 -0.224 10.310
263 2HG1 VAL 33 3HG1 VAL 33 0.527 0.050 10.728
264 3HG1 VAL 33 1HG1 VAL 33 1.700 -0.360 12.002
265 1HG2 VAL 33 1HG2 VAL 33 0.257 -2.566 8.859
266 2HG2 VAL 33 2HG2 VAL 33 -0.754 -2.954 10.272
267 3HG2 VAL 33 3HG2 VAL 33 -0.608 -1.268 9.718
268 H THR 34 H THR 34 2.370 -4.135 12.391
269 HA THR 34 HA THR 34 4.387 -2.890 13.810
270 HB THR 34 HB THR 34 2.903 -4.375 14.959
271 HG1 THR 34 1HG THR 34 5.303 -5.960 14.413
272 1HG2 THR 34 3HG2 THR 34 3.764 -6.460 12.888
273 2HG2 THR 34 1HG2 THR 34 2.872 -6.859 14.376
274 3HG2 THR 34 2HG2 THR 34 2.121 -5.823 13.139
275 H GLN 35 H GLN 35 4.599 -5.524 11.377
276 HA GLN 35 HA GLN 35 7.276 -6.074 11.853
277 HB GLN 35 2HB GLN 35 7.136 -6.947 9.394
278 HB GLN 35 QB GLN 35 7.136 -6.947 9.394
279 HG GLN 35 2HG GLN 35 5.570 -7.845 11.799
280 HG GLN 35 QG GLN 35 5.570 -7.845 11.799
281 1HE2 GLN 35 2HE2 GLN 35 3.001 -8.793 9.449
282 2HE2 GLN 35 1HE2 GLN 35 3.575 -7.441 10.368
283 H SER 36 H SER 36 5.641 -3.853 9.503
284 HA SER 36 HA SER 36 8.115 -2.988 8.442
285 HB SER 36 2HB SER 36 5.767 -1.210 8.090
286 HB SER 36 QB SER 36 5.767 -1.210 8.090
287 HG SER 36 HG SER 36 7.884 -1.662 6.725
288 H LEU 37 H LEU 37 6.111 -2.170 11.200
289 HA LEU 37 HA LEU 37 6.638 0.496 11.558
290 HB LEU 37 2HB LEU 37 6.746 -0.837 14.078
291 HB LEU 37 QB LEU 37 6.746 -0.837 14.078
292 HG LEU 37 HG LEU 37 4.521 0.019 14.440
293 1HD1 LEU 37 2HD1 LEU 37 6.477 1.579 14.502
294 2HD1 LEU 37 3HD1 LEU 37 6.058 2.086 12.848
295 3HD1 LEU 37 1HD1 LEU 37 4.912 2.364 14.181
296 1HD2 LEU 37 1HD2 LEU 37 3.635 -0.636 12.186
297 2HD2 LEU 37 2HD2 LEU 37 3.130 0.974 12.754
298 3HD2 LEU 37 3HD2 LEU 37 4.409 0.826 11.524
299 H GLU 38 H GLU 38 8.760 -2.328 11.963
300 HA GLU 38 HA GLU 38 10.990 -0.582 12.041
301 HB GLU 38 2HB GLU 38 11.906 -1.556 14.210
302 HB GLU 38 QB GLU 38 11.906 -1.556 14.210
303 HG GLU 38 2HG GLU 38 9.288 -0.056 14.634
304 HG GLU 38 QG GLU 38 9.288 -0.056 14.634
305 HE1 GLU 38 HE GLU 38 12.510 0.845 16.764
306 H LYS 39 H LYS 39 11.123 -1.894 10.009
307 HA LYS 39 HA LYS 39 11.482 -4.695 10.188
308 HB LYS 39 2HB LYS 39 12.433 -2.948 7.921
309 HB LYS 39 QB LYS 39 12.433 -2.948 7.921
310 HG LYS 39 2HG LYS 39 12.701 -5.548 8.047
311 HG LYS 39 QG LYS 39 12.701 -5.548 8.047
312 HD LYS 39 2HD LYS 39 10.344 -6.377 6.927
313 HD LYS 39 QD LYS 39 10.344 -6.377 6.927
314 HE LYS 39 2HE LYS 39 10.216 -6.462 9.882
315 HE LYS 39 QE LYS 39 10.216 -6.462 9.882
316 1HZ LYS 39 1HZ LYS 39 9.247 -8.107 8.302
317 2HZ LYS 39 2HZ LYS 39 10.744 -8.580 7.868
318 H ASP 40 H ASP 40 13.728 -1.872 9.894
319 HA ASP 40 HA ASP 40 15.610 -2.827 11.551
320 HB ASP 40 2HB ASP 40 17.316 -3.432 9.501
321 HB ASP 40 QB ASP 40 17.316 -3.432 9.501
322 HD2 ASP 40 HD ASP 40 15.425 -5.993 9.233
323 H ASP 41 H ASP 41 16.692 -2.150 8.208
324 HA ASP 41 HA ASP 41 17.781 0.324 9.061
325 HB ASP 41 2HB ASP 41 17.587 -0.901 6.268
326 HB ASP 41 QB ASP 41 17.587 -0.901 6.268
327 HD2 ASP 41 HD ASP 41 19.804 0.393 4.878
328 H ILE 42 H ILE 42 16.906 0.687 5.805
329 HA ILE 42 HA ILE 42 14.259 1.755 6.321
330 HB ILE 42 HB ILE 42 16.677 3.391 5.953
331 HG1 ILE 42 2HG1 ILE 42 15.124 5.084 7.027
332 HG1 ILE 42 QG1 ILE 42 15.124 5.084 7.027
333 1HG2 ILE 42 3HG2 ILE 42 14.309 3.665 4.150
334 2HG2 ILE 42 1HG2 ILE 42 15.080 5.140 4.783
335 3HG2 ILE 42 2HG2 ILE 42 16.034 3.973 3.837
336 1HD1 ILE 42 2HD1 ILE 42 13.112 3.368 6.240
337 2HD1 ILE 42 3HD1 ILE 42 13.363 2.872 7.931
338 3HD1 ILE 42 1HD1 ILE 42 12.960 4.562 7.551
339 H ARG 43 H ARG 43 13.633 -0.056 4.993
340 HA ARG 43 HA ARG 43 14.734 -0.176 2.369
341 HB ARG 43 2HB ARG 43 12.495 -1.831 2.351
342 HB ARG 43 QB ARG 43 12.495 -1.831 2.351
343 HG ARG 43 2HG ARG 43 14.530 -2.833 1.734
344 HG ARG 43 QG ARG 43 14.530 -2.833 1.734
345 HD ARG 43 2HD ARG 43 15.587 -1.249 3.996
346 HD ARG 43 QD ARG 43 15.587 -1.249 3.996
347 HE ARG 43 HE ARG 43 16.439 -3.154 5.077
348 1HH1 ARG 43 2HH2 ARG 43 16.845 -3.520 1.577
349 2HH1 ARG 43 1HH2 ARG 43 17.836 -4.934 1.716
350 HH2 ARG 43 1HH ARG 43 18.352 -5.798 3.890
351 H HIS 44 H HIS 44 12.413 -0.859 0.829
352 HA HIS 44 HA HIS 44 10.834 1.600 0.979
353 HB HIS 44 2HB HIS 44 10.845 1.592 -1.542
354 HB HIS 44 QB HIS 44 10.845 1.592 -1.542
355 HD1 HIS 44 1HD HIS 44 11.869 3.496 0.709
356 HD2 HIS 44 2HD HIS 44 14.293 1.812 -2.272
357 HE1 HIS 44 1HE HIS 44 13.906 5.018 0.500
358 H ILE 45 H ILE 45 8.660 1.409 0.007
359 HA ILE 45 HA ILE 45 7.727 -1.359 0.216
360 HB ILE 45 HB ILE 45 5.498 -0.271 0.557
361 HG1 ILE 45 2HG1 ILE 45 6.847 2.288 1.273
362 HG1 ILE 45 QG1 ILE 45 6.847 2.288 1.273
363 1HG2 ILE 45 2HG2 ILE 45 7.411 -0.945 2.334
364 2HG2 ILE 45 3HG2 ILE 45 7.203 0.775 2.743
365 3HG2 ILE 45 1HG2 ILE 45 5.806 -0.328 2.791
366 1HD1 ILE 45 3HD1 ILE 45 6.026 1.507 -1.564
367 2HD1 ILE 45 1HD1 ILE 45 6.404 3.161 -1.023
368 3HD1 ILE 45 2HD1 ILE 45 7.673 1.913 -1.026
369 H VAL 46 H VAL 46 5.959 -2.021 -1.296
370 HA VAL 46 HA VAL 46 5.664 -0.484 -3.694
371 HB VAL 46 HB VAL 46 7.582 -2.732 -3.507
372 1HG1 VAL 46 2HG1 VAL 46 5.690 -3.721 -4.798
373 2HG1 VAL 46 3HG1 VAL 46 5.844 -2.392 -5.973
374 3HG1 VAL 46 1HG1 VAL 46 7.183 -3.544 -5.750
375 1HG2 VAL 46 1HG2 VAL 46 8.017 -0.231 -4.038
376 2HG2 VAL 46 2HG2 VAL 46 8.837 -1.469 -5.020
377 3HG2 VAL 46 3HG2 VAL 46 7.405 -0.629 -5.661
378 H LEU 47 H LEU 47 3.451 -0.590 -2.992
379 HA LEU 47 HA LEU 47 2.269 -3.196 -2.677
380 HB LEU 47 2HB LEU 47 0.172 -1.808 -2.433
381 HB LEU 47 QB LEU 47 0.172 -1.808 -2.433
382 HG LEU 47 HG LEU 47 0.723 -0.797 -0.266
383 1HD1 LEU 47 1HD1 LEU 47 1.285 -3.577 -0.997
384 2HD1 LEU 47 2HD1 LEU 47 2.073 -3.067 0.516
385 3HD1 LEU 47 3HD1 LEU 47 0.310 -2.908 0.333
386 1HD2 LEU 47 3HD2 LEU 47 3.075 -0.083 -1.154
387 2HD2 LEU 47 1HD2 LEU 47 2.847 -0.472 0.568
388 3HD2 LEU 47 2HD2 LEU 47 3.582 -1.669 -0.526
389 H ASN 48 H ASN 48 0.503 -4.000 -4.027
390 HA ASN 48 HA ASN 48 -0.192 -2.774 -6.402
391 HB ASN 48 2HB ASN 48 2.160 -4.676 -6.518
392 HB ASN 48 QB ASN 48 2.160 -4.676 -6.518
393 1HD2 ASN 48 2HD2 ASN 48 1.494 -6.217 -9.620
394 2HD2 ASN 48 1HD2 ASN 48 2.713 -5.626 -8.542
395 H LEU 49 H LEU 49 -2.287 -3.616 -6.334
396 HA LEU 49 HA LEU 49 -2.541 -6.481 -5.741
397 HB LEU 49 2HB LEU 49 -3.624 -4.419 -4.372
398 HB LEU 49 QB LEU 49 -3.624 -4.419 -4.372
399 HG LEU 49 HG LEU 49 -5.504 -4.997 -6.597
400 1HD1 LEU 49 3HD1 LEU 49 -6.310 -5.119 -3.701
401 2HD1 LEU 49 1HD1 LEU 49 -7.432 -4.510 -4.942
402 3HD1 LEU 49 2HD1 LEU 49 -6.791 -6.167 -5.057
403 1HD2 LEU 49 3HD2 LEU 49 -4.326 -2.757 -5.777
404 2HD2 LEU 49 1HD2 LEU 49 -5.951 -2.767 -6.504
405 3HD2 LEU 49 2HD2 LEU 49 -5.768 -2.683 -4.735
406 H GLU 50 H GLU 50 -3.278 -7.813 -7.319
407 HA GLU 50 HA GLU 50 -4.083 -6.501 -9.774
408 HB GLU 50 2HB GLU 50 -3.833 -9.404 -9.953
409 HB GLU 50 QB GLU 50 -3.833 -9.404 -9.953
410 HG GLU 50 2HG GLU 50 -3.580 -7.610 -11.781
411 HG GLU 50 QG GLU 50 -3.580 -7.610 -11.781
412 HE1 GLU 50 HE GLU 50 -0.358 -8.245 -10.607
413 H ASP 51 H ASP 51 -5.334 -8.274 -7.052
414 HA ASP 51 HA ASP 51 -7.711 -8.971 -8.563
415 HB ASP 51 2HB ASP 51 -6.648 -9.799 -5.831
416 HB ASP 51 QB ASP 51 -6.648 -9.799 -5.831
417 HD1 ASP 51 HD ASP 51 -9.780 -9.733 -7.534
418 H LEU 52 H LEU 52 -8.015 -6.433 -8.503
419 HA LEU 52 HA LEU 52 -8.872 -5.456 -5.912
420 HB LEU 52 2HB LEU 52 -8.618 -4.109 -8.604
421 HB LEU 52 QB LEU 52 -8.618 -4.109 -8.604
422 HG LEU 52 HG LEU 52 -8.789 -1.999 -7.532
423 1HD1 LEU 52 3HD1 LEU 52 -10.923 -3.286 -8.091
424 2HD1 LEU 52 1HD1 LEU 52 -11.090 -3.544 -6.338
425 3HD1 LEU 52 2HD1 LEU 52 -11.073 -1.890 -6.997
426 1HD2 LEU 52 2HD2 LEU 52 -7.633 -2.576 -5.444
427 2HD2 LEU 52 3HD2 LEU 52 -9.144 -1.685 -5.144
428 3HD2 LEU 52 1HD2 LEU 52 -9.083 -3.444 -4.884
429 H SER 53 H SER 53 -10.830 -6.280 -5.305
430 HA SER 53 HA SER 53 -12.911 -6.166 -7.344
431 HB SER 53 2HB SER 53 -12.476 -8.006 -4.974
432 HB SER 53 QB SER 53 -12.476 -8.006 -4.974
433 HG SER 53 HG SER 53 -14.842 -8.333 -6.461
434 H PHE 54 H PHE 54 -13.223 -6.528 -3.773
435 HA PHE 54 HA PHE 54 -15.173 -4.469 -3.692
436 HB PHE 54 2HB PHE 54 -13.576 -6.062 -1.601
437 HB PHE 54 QB PHE 54 -13.576 -6.062 -1.601
438 HD1 PHE 54 1HD PHE 54 -17.019 -4.637 -1.851
439 HD2 PHE 54 2HD PHE 54 -13.456 -4.968 0.428
440 HE1 PHE 54 1HE PHE 54 -18.097 -3.360 0.021
441 HE2 PHE 54 2HE PHE 54 -14.534 -3.691 2.301
442 HZ PHE 54 HZ PHE 54 -16.843 -2.903 2.075
443 H MET 55 H MET 55 -12.047 -4.813 -1.860
444 HA MET 55 HA MET 55 -10.906 -3.226 -0.813
445 HB MET 55 2HB MET 55 -10.791 -1.777 -3.479
446 HB MET 55 QB MET 55 -10.791 -1.777 -3.479
447 HG MET 55 2HG MET 55 -9.107 -2.063 -1.155
448 HG MET 55 QG MET 55 -9.107 -2.063 -1.155
449 1HE MET 55 1HE MET 55 -9.567 -4.652 -2.167
450 2HE MET 55 2HE MET 55 -8.959 -4.983 -3.807
451 3HE MET 55 3HE MET 55 -8.047 -5.552 -2.388
452 H ASP 56 H ASP 56 -12.614 -2.278 0.517
453 HA ASP 56 HA ASP 56 -13.687 0.187 -0.581
454 HB ASP 56 2HB ASP 56 -14.485 -0.969 2.099
455 HB ASP 56 QB ASP 56 -14.485 -0.969 2.099
456 HD2 ASP 56 HD ASP 56 -16.732 1.005 2.417
457 H SER 57 H SER 57 -14.268 1.173 2.225
458 HA SER 57 HA SER 57 -11.587 2.119 2.774
459 HB SER 57 2HB SER 57 -12.798 4.053 2.757
460 HB SER 57 QB SER 57 -12.798 4.053 2.757
461 HG SER 57 HG SER 57 -15.200 2.873 3.790
462 H SER 58 H SER 58 -13.618 -0.360 3.736
463 HA SER 58 HA SER 58 -13.620 -0.191 6.483
464 HB SER 58 2HB SER 58 -14.159 -2.547 6.459
465 HB SER 58 QB SER 58 -14.159 -2.547 6.459
466 HG SER 58 HG SER 58 -15.138 -2.132 3.882
467 H GLY 59 H GLY 59 -10.983 -0.482 4.316
468 1HA GLY 59 1HA GLY 59 -9.246 -1.452 6.504
469 2HA GLY 59 2HA GLY 59 -9.061 -2.005 4.851
470 H LEU 60 H LEU 60 -10.181 1.188 4.715
471 HA LEU 60 HA LEU 60 -7.907 2.197 3.561
472 HB LEU 60 2HB LEU 60 -9.717 4.031 5.053
473 HB LEU 60 QB LEU 60 -9.717 4.031 5.053
474 HG LEU 60 HG LEU 60 -7.971 4.449 2.982
475 1HD1 LEU 60 3HD1 LEU 60 -10.692 3.881 1.809
476 2HD1 LEU 60 1HD1 LEU 60 -9.533 4.984 1.027
477 3HD1 LEU 60 2HD1 LEU 60 -9.098 3.278 1.293
478 1HD2 LEU 60 2HD2 LEU 60 -10.440 5.945 3.861
479 2HD2 LEU 60 3HD2 LEU 60 -8.736 6.255 4.270
480 3HD2 LEU 60 1HD2 LEU 60 -9.331 6.585 2.625
481 H GLY 61 H GLY 61 -9.065 2.680 6.971
482 1HA GLY 61 1HA GLY 61 -6.953 4.188 7.898
483 2HA GLY 61 2HA GLY 61 -7.922 3.091 8.863
484 H VAL 62 H VAL 62 -7.237 0.609 7.505
485 HA VAL 62 HA VAL 62 -4.912 -0.042 8.904
486 HB VAL 62 HB VAL 62 -6.959 -1.332 7.478
487 1HG1 VAL 62 3HG1 VAL 62 -5.307 -1.293 5.548
488 2HG1 VAL 62 1HG1 VAL 62 -4.279 -2.371 6.523
489 3HG1 VAL 62 2HG1 VAL 62 -5.906 -2.898 6.031
490 1HG2 VAL 62 2HG2 VAL 62 -5.600 -1.781 9.727
491 2HG2 VAL 62 3HG2 VAL 62 -6.490 -3.074 8.887
492 3HG2 VAL 62 1HG2 VAL 62 -4.729 -2.922 8.675
493 H ILE 63 H ILE 63 -5.442 1.468 5.794
494 HA ILE 63 HA ILE 63 -2.689 0.874 5.006
495 HB ILE 63 HB ILE 63 -5.151 1.756 3.545
496 HG1 ILE 63 2HG1 ILE 63 -3.756 -0.687 3.886
497 HG1 ILE 63 QG1 ILE 63 -3.756 -0.687 3.886
498 1HG2 ILE 63 2HG2 ILE 63 -2.289 2.136 2.653
499 2HG2 ILE 63 3HG2 ILE 63 -3.659 2.044 1.522
500 3HG2 ILE 63 1HG2 ILE 63 -3.594 3.343 2.737
501 1HD1 ILE 63 2HD1 ILE 63 -6.133 0.371 2.385
502 2HD1 ILE 63 3HD1 ILE 63 -5.513 -1.230 1.913
503 3HD1 ILE 63 1HD1 ILE 63 -6.039 -0.938 3.588
504 H LEU 64 H LEU 64 -4.975 3.509 5.842
505 HA LEU 64 HA LEU 64 -3.186 5.599 5.244
506 HB LEU 64 2HB LEU 64 -5.215 6.006 7.351
507 HB LEU 64 QB LEU 64 -5.215 6.006 7.351
508 HG LEU 64 HG LEU 64 -4.085 7.516 5.155
509 1HD1 LEU 64 3HD1 LEU 64 -6.509 6.593 4.377
510 2HD1 LEU 64 1HD1 LEU 64 -6.987 8.078 5.236
511 3HD1 LEU 64 2HD1 LEU 64 -5.830 8.164 3.887
512 1HD2 LEU 64 2HD2 LEU 64 -5.857 8.199 7.513
513 2HD2 LEU 64 3HD2 LEU 64 -4.089 8.365 7.388
514 3HD2 LEU 64 1HD2 LEU 64 -5.152 9.405 6.409
515 H GLY 65 H GLY 65 -3.960 3.764 8.259
516 1HA GLY 65 1HA GLY 65 -2.199 5.257 9.910
517 2HA GLY 65 2HA GLY 65 -2.922 3.699 10.258
518 H ARG 66 H ARG 66 -1.645 2.969 7.376
519 HA ARG 66 HA ARG 66 0.815 2.090 8.617
520 HB ARG 66 2HB ARG 66 0.417 1.011 5.947
521 HB ARG 66 QB ARG 66 0.417 1.011 5.947
522 HG ARG 66 2HG ARG 66 -0.203 -1.009 7.748
523 HG ARG 66 QG ARG 66 -0.203 -1.009 7.748
524 HD ARG 66 2HD ARG 66 2.572 -0.952 7.826
525 HD ARG 66 QD ARG 66 2.572 -0.952 7.826
526 HE ARG 66 HE ARG 66 0.762 -2.536 6.586
527 1HH1 ARG 66 2HH2 ARG 66 3.540 -0.799 5.237
528 2HH1 ARG 66 1HH2 ARG 66 3.799 -1.947 3.965
529 HH2 ARG 66 1HH ARG 66 2.353 -3.850 3.791
530 H TYR 67 H TYR 67 -0.534 4.096 6.013
531 HA TYR 67 HA TYR 67 1.702 4.334 4.383
532 HB TYR 67 2HB TYR 67 -0.072 6.705 5.033
533 HB TYR 67 QB TYR 67 -0.072 6.705 5.033
534 HD1 TYR 67 1HD TYR 67 1.401 7.921 3.475
535 HD2 TYR 67 2HD TYR 67 -0.748 4.435 2.238
536 HE1 TYR 67 1HE TYR 67 1.832 8.510 1.039
537 HE2 TYR 67 2HE TYR 67 -0.309 5.036 -0.193
538 HH TYR 67 HH TYR 67 0.952 6.292 -1.535
539 H LYS 68 H LYS 68 0.823 5.956 7.458
540 HA LYS 68 HA LYS 68 3.073 7.756 7.213
541 HB LYS 68 2HB LYS 68 2.207 8.843 9.121
542 HB LYS 68 QB LYS 68 2.207 8.843 9.121
543 HG LYS 68 2HG LYS 68 -0.377 8.799 8.640
544 HG LYS 68 QG LYS 68 -0.377 8.799 8.640
545 HD LYS 68 2HD LYS 68 0.359 9.628 6.106
546 HD LYS 68 QD LYS 68 0.359 9.628 6.106
547 HE LYS 68 2HE LYS 68 1.048 11.299 8.547
548 HE LYS 68 QE LYS 68 1.048 11.299 8.547
549 1HZ LYS 68 1HZ LYS 68 -0.571 12.622 6.775
550 2HZ LYS 68 2HZ LYS 68 1.044 12.801 6.885
551 H GLN 69 H GLN 69 2.234 4.636 8.621
552 HA GLN 69 HA GLN 69 4.554 4.728 10.328
553 HB GLN 69 2HB GLN 69 3.338 2.123 10.292
554 HB GLN 69 QB GLN 69 3.338 2.123 10.292
555 HG GLN 69 2HG GLN 69 4.316 2.995 12.311
556 HG GLN 69 QG GLN 69 4.316 2.995 12.311
557 1HE2 GLN 69 2HE2 GLN 69 3.830 6.165 13.840
558 2HE2 GLN 69 1HE2 GLN 69 4.175 4.493 14.131
559 H ILE 70 H ILE 70 3.814 4.001 7.091
560 HA ILE 70 HA ILE 70 5.869 1.932 6.921
561 HB ILE 70 HB ILE 70 3.619 1.582 5.909
562 HG1 ILE 70 2HG1 ILE 70 5.875 1.594 3.886
563 HG1 ILE 70 QG1 ILE 70 5.875 1.594 3.886
564 1HG2 ILE 70 1HG2 ILE 70 3.489 4.046 5.145
565 2HG2 ILE 70 2HG2 ILE 70 4.429 3.500 3.735
566 3HG2 ILE 70 3HG2 ILE 70 2.837 2.781 4.075
567 1HD1 ILE 70 1HD1 ILE 70 5.393 -0.002 6.383
568 2HD1 ILE 70 2HD1 ILE 70 5.916 -0.895 4.935
569 3HD1 ILE 70 3HD1 ILE 70 6.926 0.419 5.582
570 H LYS 71 H LYS 71 5.064 5.291 6.022
571 HA LYS 71 HA LYS 71 7.330 5.570 4.313
572 HB LYS 71 2HB LYS 71 6.438 8.110 5.144
573 HB LYS 71 QB LYS 71 6.438 8.110 5.144
574 HG LYS 71 2HG LYS 71 5.013 7.147 2.813
575 HG LYS 71 QG LYS 71 5.013 7.147 2.813
576 HD LYS 71 2HD LYS 71 6.502 8.718 1.641
577 HD LYS 71 QD LYS 71 6.502 8.718 1.641
578 HE LYS 71 2HE LYS 71 5.251 9.446 4.254
579 HE LYS 71 QE LYS 71 5.251 9.446 4.254
580 1HZ LYS 71 1HZ LYS 71 6.387 11.371 4.561
581 2HZ LYS 71 2HZ LYS 71 7.610 10.645 3.769
582 H GLN 72 H GLN 72 6.715 5.682 7.760
583 HA GLN 72 HA GLN 72 8.884 7.369 8.376
584 HB GLN 72 2HB GLN 72 6.903 5.714 9.848
585 HB GLN 72 QB GLN 72 6.903 5.714 9.848
586 HG GLN 72 2HG GLN 72 9.746 5.823 10.672
587 HG GLN 72 QG GLN 72 9.746 5.823 10.672
588 1HE2 GLN 72 2HE2 GLN 72 9.768 7.501 13.693
589 2HE2 GLN 72 1HE2 GLN 72 10.602 6.640 12.444
590 H ILE 73 H ILE 73 8.437 3.865 7.878
591 HA ILE 73 HA ILE 73 11.337 3.570 8.195
592 HB ILE 73 HB ILE 73 9.537 1.312 8.927
593 HG1 ILE 73 2HG1 ILE 73 9.867 3.834 10.513
594 HG1 ILE 73 QG1 ILE 73 9.867 3.834 10.513
595 1HG2 ILE 73 3HG2 ILE 73 12.101 1.263 8.720
596 2HG2 ILE 73 1HG2 ILE 73 12.103 2.175 10.248
597 3HG2 ILE 73 2HG2 ILE 73 11.357 0.560 10.177
598 1HD1 ILE 73 2HD1 ILE 73 7.701 1.829 9.846
599 2HD1 ILE 73 3HD1 ILE 73 7.552 2.840 11.303
600 3HD1 ILE 73 1HD1 ILE 73 7.671 3.603 9.700
601 H GLY 74 H GLY 74 9.606 4.161 5.845
602 1HA GLY 74 1HA GLY 74 10.390 1.815 4.251
603 2HA GLY 74 2HA GLY 74 8.741 2.403 4.164
604 H GLY 75 H GLY 75 10.908 4.979 4.859
605 1HA GLY 75 1HA GLY 75 11.754 6.670 3.642
606 2HA GLY 75 2HA GLY 75 11.936 5.557 2.301
607 H GLU 76 H GLU 76 9.524 4.832 1.422
608 HA GLU 76 HA GLU 76 7.794 7.128 1.404
609 HB GLU 76 2HB GLU 76 7.932 7.636 -0.875
610 HB GLU 76 QB GLU 76 7.932 7.636 -0.875
611 HG GLU 76 2HG GLU 76 10.459 7.420 -1.524
612 HG GLU 76 QG GLU 76 10.459 7.420 -1.524
613 HE2 GLU 76 HE GLU 76 11.268 8.916 1.551
614 H MET 77 H MET 77 5.621 6.612 0.648
615 HA MET 77 HA MET 77 5.181 3.736 0.700
616 HB MET 77 2HB MET 77 3.070 5.925 1.008
617 HB MET 77 QB MET 77 3.070 5.925 1.008
618 HG MET 77 2HG MET 77 1.998 4.190 2.469
619 HG MET 77 QG MET 77 1.998 4.190 2.469
620 1HE MET 77 1HE MET 77 0.528 2.648 1.997
621 2HE MET 77 2HE MET 77 -0.407 3.024 0.529
622 3HE MET 77 3HE MET 77 0.526 1.511 0.627
623 H VAL 78 H VAL 78 4.534 2.693 -1.138
624 HA VAL 78 HA VAL 78 3.484 4.388 -3.298
625 HB VAL 78 HB VAL 78 5.610 2.409 -3.173
626 1HG1 VAL 78 3HG1 VAL 78 3.781 0.953 -4.057
627 2HG1 VAL 78 1HG1 VAL 78 3.603 2.077 -5.426
628 3HG1 VAL 78 2HG1 VAL 78 5.128 1.187 -5.198
629 1HG2 VAL 78 1HG2 VAL 78 5.606 4.811 -4.084
630 2HG2 VAL 78 2HG2 VAL 78 6.434 3.567 -5.052
631 3HG2 VAL 78 3HG2 VAL 78 4.814 4.133 -5.526
632 H VAL 79 H VAL 79 1.832 3.380 -4.692
633 HA VAL 79 HA VAL 79 0.630 0.943 -3.871
634 HB VAL 79 HB VAL 79 -0.091 2.508 -2.067
635 1HG1 VAL 79 3HG1 VAL 79 -1.530 3.904 -4.350
636 2HG1 VAL 79 1HG1 VAL 79 -1.826 4.197 -2.620
637 3HG1 VAL 79 2HG1 VAL 79 -0.238 4.579 -3.328
638 1HG2 VAL 79 1HG2 VAL 79 -2.131 1.243 -3.909
639 2HG2 VAL 79 2HG2 VAL 79 -1.453 0.605 -2.391
640 3HG2 VAL 79 3HG2 VAL 79 -2.581 1.982 -2.353
641 H CYS 80 H CYS 80 -0.110 0.064 -5.731
642 HA CYS 80 HA CYS 80 -0.992 1.953 -7.793
643 HB CYS 80 2HB CYS 80 0.432 1.097 -9.285
644 HB CYS 80 QB CYS 80 0.432 1.097 -9.285
645 HG CYS 80 HG CYS 80 1.828 -1.223 -7.680
646 H ALA 81 H ALA 81 -2.073 0.093 -9.595
647 HA ALA 81 HA ALA 81 -3.819 -1.211 -9.993
648 1HB ALA 81 3HB ALA 81 -3.114 -2.140 -7.204
649 2HB ALA 81 1HB ALA 81 -4.561 -2.765 -8.030
650 3HB ALA 81 2HB ALA 81 -2.951 -3.004 -8.751
651 H ILE 82 H ILE 82 -4.643 1.188 -9.967
652 HA ILE 82 HA ILE 82 -6.503 1.651 -7.785
653 HB ILE 82 HB ILE 82 -4.954 3.407 -8.673
654 HG1 ILE 82 2HG1 ILE 82 -7.932 3.977 -8.735
655 HG1 ILE 82 QG1 ILE 82 -7.932 3.977 -8.735
656 1HG2 ILE 82 1HG2 ILE 82 -6.270 2.692 -11.157
657 2HG2 ILE 82 2HG2 ILE 82 -6.419 4.433 -10.815
658 3HG2 ILE 82 3HG2 ILE 82 -4.812 3.672 -10.874
659 1HD1 ILE 82 3HD1 ILE 82 -6.112 3.201 -6.627
660 2HD1 ILE 82 1HD1 ILE 82 -6.591 4.897 -6.381
661 3HD1 ILE 82 2HD1 ILE 82 -7.836 3.631 -6.503
662 H SER 83 H SER 83 -8.774 2.423 -8.415
663 HA SER 83 HA SER 83 -9.687 1.154 -10.844
664 HB SER 83 2HB SER 83 -11.613 0.541 -8.794
665 HB SER 83 QB SER 83 -11.613 0.541 -8.794
666 HG SER 83 HG SER 83 -10.024 -0.823 -10.698
667 HA PRO 84 HA PRO 84 -12.386 4.566 -10.807
668 HB PRO 84 2HB PRO 84 -13.044 4.200 -12.982
669 HB PRO 84 QB PRO 84 -13.044 4.200 -12.982
670 HG PRO 84 2HG PRO 84 -12.820 2.021 -13.704
671 HG PRO 84 QG PRO 84 -12.820 2.021 -13.704
672 HD PRO 84 2HD PRO 84 -11.181 1.284 -12.271
673 HD PRO 84 QD PRO 84 -11.181 1.284 -12.271
674 H ALA 85 H ALA 85 -13.283 1.720 -9.255
675 HA ALA 85 HA ALA 85 -15.352 3.242 -7.822
676 1HB ALA 85 1HB ALA 85 -15.373 0.548 -9.071
677 2HB ALA 85 2HB ALA 85 -16.040 0.625 -7.422
678 3HB ALA 85 3HB ALA 85 -16.721 1.652 -8.706
679 H VAL 86 H VAL 86 -12.427 3.123 -7.348
680 HA VAL 86 HA VAL 86 -12.590 2.093 -4.630
681 HB VAL 86 HB VAL 86 -11.142 0.838 -6.774
682 1HG1 VAL 86 3HG1 VAL 86 -9.319 2.387 -6.109
683 2HG1 VAL 86 1HG1 VAL 86 -9.409 1.745 -4.452
684 3HG1 VAL 86 2HG1 VAL 86 -8.925 0.679 -5.794
685 1HG2 VAL 86 1HG2 VAL 86 -12.515 -0.161 -4.860
686 2HG2 VAL 86 2HG2 VAL 86 -10.976 -0.965 -5.254
687 3HG2 VAL 86 3HG2 VAL 86 -11.083 0.109 -3.838
688 H LYS 87 H LYS 87 -10.932 3.996 -7.186
689 HA LYS 87 HA LYS 87 -9.250 5.368 -5.365
690 HB LYS 87 2HB LYS 87 -9.388 5.046 -8.107
691 HB LYS 87 QB LYS 87 -9.388 5.046 -8.107
692 HG LYS 87 2HG LYS 87 -9.644 8.022 -7.569
693 HG LYS 87 QG LYS 87 -9.644 8.022 -7.569
694 HD LYS 87 2HD LYS 87 -10.525 7.550 -10.112
695 HD LYS 87 QD LYS 87 -10.525 7.550 -10.112
696 HE LYS 87 2HE LYS 87 -7.856 8.190 -8.910
697 HE LYS 87 QE LYS 87 -7.856 8.190 -8.910
698 1HZ LYS 87 1HZ LYS 87 -7.990 6.734 -11.290
699 2HZ LYS 87 2HZ LYS 87 -7.642 8.267 -11.718
700 H ARG 88 H ARG 88 -12.617 5.446 -5.952
701 HA ARG 88 HA ARG 88 -13.007 8.201 -5.642
702 HB ARG 88 2HB ARG 88 -14.638 6.395 -6.577
703 HB ARG 88 QB ARG 88 -14.638 6.395 -6.577
704 HG ARG 88 2HG ARG 88 -16.297 5.671 -4.738
705 HG ARG 88 QG ARG 88 -16.297 5.671 -4.738
706 HD ARG 88 2HD ARG 88 -13.679 4.328 -4.144
707 HD ARG 88 QD ARG 88 -13.679 4.328 -4.144
708 HE ARG 88 HE ARG 88 -15.305 2.712 -3.749
709 1HH1 ARG 88 2HH2 ARG 88 -16.349 4.654 -6.523
710 2HH1 ARG 88 1HH2 ARG 88 -17.785 3.723 -6.792
711 HH2 ARG 88 1HH ARG 88 -18.265 1.865 -5.356
712 H LEU 89 H LEU 89 -12.363 5.523 -3.457
713 HA LEU 89 HA LEU 89 -13.571 6.518 -1.142
714 HB LEU 89 2HB LEU 89 -11.691 5.068 -0.071
715 HB LEU 89 QB LEU 89 -11.691 5.068 -0.071
716 HG LEU 89 HG LEU 89 -13.982 4.116 -1.734
717 1HD1 LEU 89 1HD1 LEU 89 -11.923 2.591 -2.105
718 2HD1 LEU 89 2HD1 LEU 89 -12.199 2.079 -0.423
719 3HD1 LEU 89 3HD1 LEU 89 -13.475 1.852 -1.643
720 1HD2 LEU 89 3HD2 LEU 89 -13.590 4.788 0.940
721 2HD2 LEU 89 1HD2 LEU 89 -15.001 3.964 0.235
722 3HD2 LEU 89 2HD2 LEU 89 -13.670 3.011 0.935
723 H PHE 90 H PHE 90 -10.350 7.073 -2.650
724 HA PHE 90 HA PHE 90 -9.642 8.849 -0.474
725 HB PHE 90 2HB PHE 90 -7.466 8.843 -1.653
726 HB PHE 90 QB PHE 90 -7.466 8.843 -1.653
727 HD1 PHE 90 1HD PHE 90 -7.439 7.304 0.389
728 HD2 PHE 90 2HD PHE 90 -8.338 5.932 -3.524
729 HE1 PHE 90 1HE PHE 90 -6.906 4.953 1.091
730 HE2 PHE 90 2HE PHE 90 -7.806 3.582 -2.823
731 HZ PHE 90 HZ PHE 90 -7.096 3.120 -0.524
732 H ASP 91 H ASP 91 -10.989 8.937 -3.725
733 HA ASP 91 HA ASP 91 -10.176 11.574 -4.280
734 HB ASP 91 2HB ASP 91 -12.641 10.809 -5.635
735 HB ASP 91 QB ASP 91 -12.641 10.809 -5.635
736 HD1 ASP 91 HD ASP 91 -9.786 12.631 -7.143
737 H MET 92 H MET 92 -12.958 9.945 -2.721
738 HA MET 92 HA MET 92 -14.589 12.262 -2.718
739 HB MET 92 2HB MET 92 -14.688 9.620 -1.158
740 HB MET 92 QB MET 92 -14.688 9.620 -1.158
741 HG MET 92 2HG MET 92 -16.698 11.902 -1.392
742 HG MET 92 QG MET 92 -16.698 11.902 -1.392
743 1HE MET 92 3HE MET 92 -16.773 9.057 1.155
744 2HE MET 92 1HE MET 92 -18.011 10.316 1.379
745 3HE MET 92 2HE MET 92 -18.498 8.644 1.010
746 H SER 93 H SER 93 -12.409 10.607 -0.372
747 HA SER 93 HA SER 93 -13.114 12.192 1.800
748 HB SER 93 2HB SER 93 -10.309 11.207 1.697
749 HB SER 93 QB SER 93 -10.309 11.207 1.697
750 HG SER 93 HG SER 93 -11.878 11.751 3.612
751 H GLY 94 H GLY 94 -10.264 12.335 -0.463
752 1HA GLY 94 1HA GLY 94 -9.532 14.379 -1.391
753 2HA GLY 94 2HA GLY 94 -10.151 15.240 0.005
754 H LEU 95 H LEU 95 -8.671 12.289 0.962
755 HA LEU 95 HA LEU 95 -6.246 13.775 1.686
756 HB LEU 95 2HB LEU 95 -7.112 11.253 3.038
757 HB LEU 95 QB LEU 95 -7.112 11.253 3.038
758 HG LEU 95 HG LEU 95 -4.977 12.791 3.550
759 1HD1 LEU 95 1HD1 LEU 95 -6.932 14.611 4.096
760 2HD1 LEU 95 2HD1 LEU 95 -6.638 13.916 5.708
761 3HD1 LEU 95 3HD1 LEU 95 -5.293 14.634 4.790
762 1HD2 LEU 95 3HD2 LEU 95 -5.954 10.631 4.660
763 2HD2 LEU 95 1HD2 LEU 95 -4.754 11.624 5.521
764 3HD2 LEU 95 2HD2 LEU 95 -6.482 11.761 5.931
765 H PHE 96 H PHE 96 -7.193 12.062 -0.821
766 HA PHE 96 HA PHE 96 -5.881 9.733 -1.040
767 HB PHE 96 2HB PHE 96 -5.389 11.644 -3.287
768 HB PHE 96 QB PHE 96 -5.389 11.644 -3.287
769 HD1 PHE 96 2HD PHE 96 -5.137 8.584 -2.556
770 HD2 PHE 96 1HD PHE 96 -7.935 10.870 -4.782
771 HE1 PHE 96 2HE PHE 96 -5.709 6.556 -3.918
772 HE2 PHE 96 1HE PHE 96 -8.507 8.841 -6.144
773 HZ PHE 96 HZ PHE 96 -7.387 6.708 -5.697
774 H LYS 97 H LYS 97 -4.436 12.972 -0.807
775 HA LYS 97 HA LYS 97 -1.919 12.344 -1.840
776 HB LYS 97 2HB LYS 97 -1.195 14.392 -0.792
777 HB LYS 97 QB LYS 97 -1.195 14.392 -0.792
778 HG LYS 97 2HG LYS 97 -3.570 14.167 -2.401
779 HG LYS 97 QG LYS 97 -3.570 14.167 -2.401
780 HD LYS 97 2HD LYS 97 -3.623 16.479 -0.404
781 HD LYS 97 QD LYS 97 -3.623 16.479 -0.404
782 HE LYS 97 2HE LYS 97 -5.740 17.082 -1.581
783 HE LYS 97 QE LYS 97 -5.740 17.082 -1.581
784 1HZ LYS 97 1HZ LYS 97 -3.738 18.147 -2.380
785 2HZ LYS 97 2HZ LYS 97 -3.348 16.884 -3.331
786 H ILE 98 H ILE 98 -3.543 11.420 1.109
787 HA ILE 98 HA ILE 98 -1.089 10.880 2.516
788 HB ILE 98 HB ILE 98 -3.702 11.406 3.237
789 HG1 ILE 98 2HG1 ILE 98 -2.662 11.901 5.142
790 HG1 ILE 98 QG1 ILE 98 -2.662 11.901 5.142
791 1HG2 ILE 98 2HG2 ILE 98 -3.095 8.489 3.780
792 2HG2 ILE 98 3HG2 ILE 98 -4.381 9.428 4.574
793 3HG2 ILE 98 1HG2 ILE 98 -4.437 9.151 2.816
794 1HD1 ILE 98 1HD1 ILE 98 -1.720 8.997 5.227
795 2HD1 ILE 98 2HD1 ILE 98 -1.505 10.178 6.542
796 3HD1 ILE 98 3HD1 ILE 98 -3.142 9.667 6.063
797 H ILE 99 H ILE 99 -3.069 9.359 0.119
798 HA ILE 99 HA ILE 99 -1.907 6.753 0.811
799 HB ILE 99 HB ILE 99 -4.511 7.621 -0.244
800 HG1 ILE 99 2HG1 ILE 99 -3.384 5.479 1.514
801 HG1 ILE 99 QG1 ILE 99 -3.384 5.479 1.514
802 1HG2 ILE 99 2HG2 ILE 99 -3.102 5.210 -1.418
803 2HG2 ILE 99 3HG2 ILE 99 -4.848 5.529 -1.538
804 3HG2 ILE 99 1HG2 ILE 99 -3.685 6.650 -2.287
805 1HD1 ILE 99 2HD1 ILE 99 -5.244 7.790 1.650
806 2HD1 ILE 99 3HD1 ILE 99 -5.813 6.336 2.504
807 3HD1 ILE 99 1HD1 ILE 99 -4.242 7.060 2.927
808 H ARG 100 H ARG 100 -1.738 9.473 -1.299
809 HA ARG 100 HA ARG 100 -1.010 9.699 -3.386
810 HB ARG 100 2HB ARG 100 1.497 8.223 -2.826
811 HB ARG 100 QB ARG 100 1.497 8.223 -2.826
812 HG ARG 100 2HG ARG 100 0.599 10.803 -3.835
813 HG ARG 100 QG ARG 100 0.599 10.803 -3.835
814 HD ARG 100 2HD ARG 100 2.497 10.793 -1.484
815 HD ARG 100 QD ARG 100 2.497 10.793 -1.484
816 HE ARG 100 HE ARG 100 2.769 13.009 -3.419
817 1HH1 ARG 100 2HH2 ARG 100 4.177 10.028 -2.121
818 2HH1 ARG 100 1HH2 ARG 100 5.770 10.381 -2.699
819 HH2 ARG 100 1HH ARG 100 6.156 12.414 -3.909
820 H PHE 101 H PHE 101 -2.398 8.293 -4.661
821 HA PHE 101 HA PHE 101 -1.245 5.659 -5.226
822 HB PHE 101 2HB PHE 101 -3.951 6.550 -6.224
823 HB PHE 101 QB PHE 101 -3.951 6.550 -6.224
824 HD1 PHE 101 1HD PHE 101 -3.524 4.482 -7.594
825 HD2 PHE 101 2HD PHE 101 -3.823 4.375 -3.362
826 HE1 PHE 101 1HE PHE 101 -3.938 2.009 -7.685
827 HE2 PHE 101 2HE PHE 101 -4.236 1.901 -3.454
828 HZ PHE 101 HZ PHE 101 -4.290 0.747 -5.615
829 H GLU 102 H GLU 102 -1.769 4.910 -7.598
830 HA GLU 102 HA GLU 102 -1.582 7.150 -9.418
831 HB GLU 102 2HB GLU 102 0.297 4.918 -10.024
832 HB GLU 102 QB GLU 102 0.297 4.918 -10.024
833 HG GLU 102 2HG GLU 102 -0.142 7.629 -10.805
834 HG GLU 102 QG GLU 102 -0.142 7.629 -10.805
835 HE2 GLU 102 HE GLU 102 2.880 7.842 -11.306
836 H GLN 103 H GLN 103 -0.721 5.055 -11.537
837 HA GLN 103 HA GLN 103 -3.034 3.348 -11.558
838 HB GLN 103 2HB GLN 103 -3.904 4.128 -13.677
839 HB GLN 103 QB GLN 103 -3.904 4.128 -13.677
840 HG GLN 103 2HG GLN 103 -3.250 6.485 -11.847
841 HG GLN 103 QG GLN 103 -3.250 6.485 -11.847
842 1HE2 GLN 103 2HE2 GLN 103 -6.252 6.711 -14.707
843 2HE2 GLN 103 1HE2 GLN 103 -5.937 5.252 -13.828
844 H SER 104 H SER 104 -1.587 1.575 -11.478
845 HA SER 104 HA SER 104 -0.085 0.148 -12.154
846 HB SER 104 2HB SER 104 -1.258 0.983 -14.835
847 HB SER 104 QB SER 104 -1.258 0.983 -14.835
848 HG SER 104 HG SER 104 0.487 -0.121 -15.557
849 H GLU 105 H GLU 105 0.080 2.754 -14.701
850 HA GLU 105 HA GLU 105 2.558 2.594 -15.499
851 HB GLU 105 2HB GLU 105 1.131 5.152 -14.654
852 HB GLU 105 QB GLU 105 1.131 5.152 -14.654
853 HG GLU 105 2HG GLU 105 3.689 4.662 -16.203
854 HG GLU 105 QG GLU 105 3.689 4.662 -16.203
855 HE2 GLU 105 HE GLU 105 3.971 7.520 -17.371
856 H GLN 106 H GLN 106 1.559 3.593 -12.230
857 HA GLN 106 HA GLN 106 3.904 4.755 -11.406
858 HB GLN 106 2HB GLN 106 1.553 3.465 -10.104
859 HB GLN 106 QB GLN 106 1.553 3.465 -10.104
860 HG GLN 106 2HG GLN 106 4.238 3.838 -8.709
861 HG GLN 106 QG GLN 106 4.238 3.838 -8.709
862 1HE2 GLN 106 2HE2 GLN 106 1.982 5.607 -6.476
863 2HE2 GLN 106 1HE2 GLN 106 2.848 5.831 -7.959
864 H GLN 107 H GLN 107 3.331 1.522 -12.402
865 HA GLN 107 HA GLN 107 4.600 -0.148 -10.859
866 HB GLN 107 2HB GLN 107 4.757 0.246 -13.846
867 HB GLN 107 QB GLN 107 4.757 0.246 -13.846
868 HG GLN 107 2HG GLN 107 5.727 -2.315 -13.469
869 HG GLN 107 QG GLN 107 5.727 -2.315 -13.469
870 1HE2 GLN 107 2HE2 GLN 107 7.704 -1.130 -16.042
871 2HE2 GLN 107 1HE2 GLN 107 6.510 -2.233 -15.443
872 H ALA 108 H ALA 108 6.138 2.591 -12.531
873 HA ALA 108 HA ALA 108 8.796 1.695 -11.877
874 1HB ALA 108 3HB ALA 108 7.690 3.324 -13.813
875 2HB ALA 108 1HB ALA 108 8.389 4.506 -12.681
876 3HB ALA 108 2HB ALA 108 9.421 3.249 -13.402
877 H LEU 109 H LEU 109 6.768 4.596 -11.018
878 HA LEU 109 HA LEU 109 8.440 5.396 -8.933
879 HB LEU 109 2HB LEU 109 5.717 6.178 -8.485
880 HB LEU 109 QB LEU 109 5.717 6.178 -8.485
881 HG LEU 109 HG LEU 109 8.030 7.698 -9.724
882 1HD1 LEU 109 2HD1 LEU 109 5.261 8.368 -9.557
883 2HD1 LEU 109 3HD1 LEU 109 6.163 9.415 -8.436
884 3HD1 LEU 109 1HD1 LEU 109 6.620 9.352 -10.155
885 1HD2 LEU 109 2HD2 LEU 109 8.196 6.756 -7.307
886 2HD2 LEU 109 3HD2 LEU 109 8.622 8.456 -7.619
887 3HD2 LEU 109 1HD2 LEU 109 7.041 8.051 -6.908
888 H LEU 110 H LEU 110 6.159 2.778 -9.216
889 HA LEU 110 HA LEU 110 5.257 2.539 -6.625
890 HB LEU 110 2HB LEU 110 5.520 0.861 -8.995
891 HB LEU 110 QB LEU 110 5.520 0.861 -8.995
892 HG LEU 110 HG LEU 110 5.739 -0.410 -6.286
893 1HD1 LEU 110 3HD1 LEU 110 3.855 -1.202 -8.454
894 2HD1 LEU 110 1HD1 LEU 110 4.761 -2.491 -7.628
895 3HD1 LEU 110 2HD1 LEU 110 3.726 -1.389 -6.688
896 1HD2 LEU 110 2HD2 LEU 110 7.545 -0.262 -8.199
897 2HD2 LEU 110 3HD2 LEU 110 7.344 -1.743 -7.231
898 3HD2 LEU 110 1HD2 LEU 110 6.634 -1.642 -8.861
899 H THR 111 H THR 111 8.399 1.602 -8.094
900 HA THR 111 HA THR 111 9.372 0.140 -5.921
901 HB THR 111 HB THR 111 10.297 1.286 -8.461
902 HG1 THR 111 1HG THR 111 11.016 -0.817 -6.547
903 1HG2 THR 111 2HG2 THR 111 11.796 2.567 -6.780
904 2HG2 THR 111 3HG2 THR 111 12.390 0.973 -6.257
905 3HG2 THR 111 1HG2 THR 111 12.648 1.512 -7.933
906 H LEU 112 H LEU 112 8.309 3.297 -5.881
907 HA LEU 112 HA LEU 112 8.358 4.582 -3.996
908 HB LEU 112 2HB LEU 112 10.890 3.065 -3.409
909 HB LEU 112 QB LEU 112 10.890 3.065 -3.409
910 HG LEU 112 HG LEU 112 10.024 5.640 -2.263
911 1HD1 LEU 112 1HD1 LEU 112 10.402 3.217 -0.517
912 2HD1 LEU 112 2HD1 LEU 112 10.818 4.849 0.059
913 3HD1 LEU 112 3HD1 LEU 112 9.150 4.480 -0.442
914 1HD2 LEU 112 3HD2 LEU 112 12.546 4.026 -2.482
915 2HD2 LEU 112 1HD2 LEU 112 12.186 5.665 -3.076
916 3HD2 LEU 112 2HD2 LEU 112 12.447 5.385 -1.337
917 H GLY 113 H GLY 113 9.518 4.711 -6.855
918 1HA GLY 113 1HA GLY 113 10.600 6.200 -8.146
919 2HA GLY 113 2HA GLY 113 10.182 7.380 -6.920
920 H VAL 114 H VAL 114 12.289 4.502 -6.424
921 HA VAL 114 HA VAL 114 14.663 6.140 -6.550
922 HB VAL 114 HB VAL 114 13.669 4.907 -3.976
923 1HG1 VAL 114 3HG1 VAL 114 16.227 4.721 -4.681
924 2HG1 VAL 114 1HG1 VAL 114 16.251 6.410 -4.119
925 3HG1 VAL 114 2HG1 VAL 114 15.740 5.111 -3.014
926 1HG2 VAL 114 3HG2 VAL 114 14.273 7.768 -4.787
927 2HG2 VAL 114 1HG2 VAL 114 12.690 7.076 -4.360
928 3HG2 VAL 114 2HG2 VAL 114 13.954 7.241 -3.117
929 H ALA 115 H ALA 115 14.655 4.514 -8.408
930 HA ALA 115 HA ALA 115 16.537 2.729 -8.336
931 1HB ALA 115 2HB ALA 115 14.232 1.633 -6.769
932 2HB ALA 115 3HB ALA 115 15.104 0.513 -7.842
933 3HB ALA 115 1HB ALA 115 15.981 1.378 -6.557
934 H SER 116 H SER 116 16.538 3.178 -10.537
935 HA SER 116 HA SER 116 15.897 3.183 -12.623
936 HB SER 116 2HB SER 116 14.511 0.822 -13.083
937 HB SER 116 QB SER 116 14.511 0.822 -13.083
938 HG SER 116 HG SER 116 16.737 1.635 -13.822
No H/Q in entry = 795
Start of MODEL 4
1 H SER 1 H SER 1 -10.198 -16.912 0.185
2 HA SER 1 HA SER 1 -11.859 -14.737 0.142
3 HB SER 1 2HB SER 1 -10.891 -14.409 2.564
4 HB SER 1 QB SER 1 -10.891 -14.409 2.564
5 HG SER 1 HG SER 1 -12.008 -16.951 1.729
6 H LEU 2 H LEU 2 -8.254 -14.920 0.472
7 HA LEU 2 HA LEU 2 -7.886 -12.470 -0.849
8 HB LEU 2 2HB LEU 2 -8.071 -12.398 2.115
9 HB LEU 2 QB LEU 2 -8.071 -12.398 2.115
10 HG LEU 2 HG LEU 2 -5.654 -11.594 0.980
11 1HD1 LEU 2 2HD1 LEU 2 -7.521 -9.587 0.358
12 2HD1 LEU 2 3HD1 LEU 2 -6.578 -8.967 1.735
13 3HD1 LEU 2 1HD1 LEU 2 -5.746 -9.499 0.254
14 1HD2 LEU 2 2HD2 LEU 2 -7.075 -11.329 3.545
15 2HD2 LEU 2 3HD2 LEU 2 -5.411 -11.853 3.194
16 3HD2 LEU 2 1HD2 LEU 2 -5.800 -10.118 3.273
17 H GLY 3 H GLY 3 -5.739 -12.272 -1.514
18 1HA GLY 3 1HA GLY 3 -4.051 -14.568 -0.818
19 2HA GLY 3 2HA GLY 3 -3.896 -13.525 -2.217
20 H ILE 4 H ILE 4 -1.569 -13.398 -1.577
21 HA ILE 4 HA ILE 4 -0.972 -10.992 -0.368
22 HB ILE 4 HB ILE 4 -1.757 -12.591 1.614
23 HG1 ILE 4 2HG1 ILE 4 0.010 -11.220 3.022
24 HG1 ILE 4 QG1 ILE 4 0.010 -11.220 3.022
25 1HG2 ILE 4 3HG2 ILE 4 -0.108 -14.330 1.187
26 2HG2 ILE 4 1HG2 ILE 4 1.211 -13.150 1.368
27 3HG2 ILE 4 2HG2 ILE 4 0.185 -13.558 2.763
28 1HD1 ILE 4 1HD1 ILE 4 1.345 -10.707 0.880
29 2HD1 ILE 4 2HD1 ILE 4 -0.022 -9.671 0.401
30 3HD1 ILE 4 3HD1 ILE 4 0.898 -9.304 1.881
31 H ASP 5 H ASP 5 1.062 -10.413 -1.029
32 HA ASP 5 HA ASP 5 2.917 -12.551 -1.586
33 HB ASP 5 2HB ASP 5 2.924 -10.501 -3.708
34 HB ASP 5 QB ASP 5 2.924 -10.501 -3.708
35 HD2 ASP 5 HD ASP 5 2.051 -14.041 -4.811
36 H MET 6 H MET 6 5.141 -11.787 -1.457
37 HA MET 6 HA MET 6 5.430 -8.938 -0.958
38 HB MET 6 2HB MET 6 7.143 -9.738 0.892
39 HB MET 6 QB MET 6 7.143 -9.738 0.892
40 HG MET 6 2HG MET 6 4.119 -10.016 1.220
41 HG MET 6 QG MET 6 4.119 -10.016 1.220
42 1HE MET 6 3HE MET 6 7.355 -8.969 2.811
43 2HE MET 6 1HE MET 6 7.360 -9.683 4.442
44 3HE MET 6 2HE MET 6 7.704 -10.703 3.024
45 H ASN 7 H ASN 7 7.297 -8.033 -1.835
46 HA ASN 7 HA ASN 7 9.292 -9.916 -2.781
47 HB ASN 7 2HB ASN 7 9.067 -7.706 -4.652
48 HB ASN 7 QB ASN 7 9.067 -7.706 -4.652
49 1HD2 ASN 7 2HD2 ASN 7 10.487 -10.359 -6.412
50 2HD2 ASN 7 1HD2 ASN 7 10.695 -8.840 -5.607
51 H VAL 8 H VAL 8 11.384 -8.624 -3.426
52 HA VAL 8 HA VAL 8 11.544 -6.122 -1.902
53 HB VAL 8 HB VAL 8 12.663 -8.583 -1.172
54 1HG1 VAL 8 3HG1 VAL 8 14.378 -8.177 -2.953
55 2HG1 VAL 8 1HG1 VAL 8 14.865 -6.702 -2.081
56 3HG1 VAL 8 2HG1 VAL 8 15.051 -8.296 -1.309
57 1HG2 VAL 8 1HG2 VAL 8 12.765 -5.752 -0.273
58 2HG2 VAL 8 2HG2 VAL 8 12.323 -7.228 0.618
59 3HG2 VAL 8 3HG2 VAL 8 14.037 -6.827 0.355
60 H LYS 9 H LYS 9 12.912 -4.528 -2.795
61 HA LYS 9 HA LYS 9 14.419 -5.212 -5.161
62 HB LYS 9 2HB LYS 9 13.097 -4.323 -6.728
63 HB LYS 9 QB LYS 9 13.097 -4.323 -6.728
64 HG LYS 9 2HG LYS 9 10.617 -3.912 -5.861
65 HG LYS 9 QG LYS 9 10.617 -3.912 -5.861
66 HD LYS 9 2HD LYS 9 10.947 -6.681 -5.271
67 HD LYS 9 QD LYS 9 10.947 -6.681 -5.271
68 HE LYS 9 2HE LYS 9 9.781 -4.970 -7.309
69 HE LYS 9 QE LYS 9 9.781 -4.970 -7.309
70 1HZ LYS 9 1HZ LYS 9 10.164 -7.260 -8.798
71 2HZ LYS 9 2HZ LYS 9 10.782 -5.789 -9.132
72 H GLU 10 H GLU 10 16.356 -4.484 -4.408
73 HA GLU 10 HA GLU 10 17.894 -3.106 -3.740
74 HB GLU 10 2HB GLU 10 15.835 -1.105 -4.687
75 HB GLU 10 QB GLU 10 15.835 -1.105 -4.687
76 HG GLU 10 2HG GLU 10 18.201 -0.582 -2.950
77 HG GLU 10 QG GLU 10 18.201 -0.582 -2.950
78 HE2 GLU 10 HE GLU 10 19.355 1.316 -3.241
79 H SER 11 H SER 11 14.658 -2.770 -2.358
80 HA SER 11 HA SER 11 15.299 -3.129 0.173
81 HB SER 11 2HB SER 11 16.501 -1.365 0.916
82 HB SER 11 QB SER 11 16.501 -1.365 0.916
83 HG SER 11 HG SER 11 16.857 0.529 -0.421
84 H VAL 12 H VAL 12 13.301 -2.299 -2.321
85 HA VAL 12 HA VAL 12 11.120 -1.319 -0.655
86 HB VAL 12 HB VAL 12 11.726 -0.281 -2.855
87 1HG1 VAL 12 2HG1 VAL 12 11.930 -2.814 -3.807
88 2HG1 VAL 12 3HG1 VAL 12 10.286 -2.399 -4.349
89 3HG1 VAL 12 1HG1 VAL 12 11.665 -1.383 -4.832
90 1HG2 VAL 12 3HG2 VAL 12 9.491 -0.048 -1.772
91 2HG2 VAL 12 1HG2 VAL 12 9.434 0.064 -3.547
92 3HG2 VAL 12 2HG2 VAL 12 8.920 -1.433 -2.732
93 H LEU 13 H LEU 13 9.675 -2.694 0.235
94 HA LEU 13 HA LEU 13 9.722 -5.451 -0.696
95 HB LEU 13 2HB LEU 13 9.452 -5.975 1.423
96 HB LEU 13 QB LEU 13 9.452 -5.975 1.423
97 HG LEU 13 HG LEU 13 9.860 -4.496 3.175
98 1HD1 LEU 13 1HD1 LEU 13 11.428 -4.358 0.918
99 2HD1 LEU 13 2HD1 LEU 13 11.143 -2.644 1.303
100 3HD1 LEU 13 3HD1 LEU 13 11.854 -3.725 2.526
101 1HD2 LEU 13 1HD2 LEU 13 8.271 -2.571 1.561
102 2HD2 LEU 13 2HD2 LEU 13 8.249 -2.908 3.309
103 3HD2 LEU 13 3HD2 LEU 13 9.540 -1.899 2.613
104 H CYS 14 H CYS 14 8.462 -5.744 -2.482
105 HA CYS 14 HA CYS 14 6.121 -4.194 -2.881
106 HB CYS 14 2HB CYS 14 6.034 -5.134 -4.974
107 HB CYS 14 QB CYS 14 6.034 -5.134 -4.974
108 HG CYS 14 HG CYS 14 8.155 -4.773 -5.995
109 H ILE 15 H ILE 15 4.001 -4.707 -2.316
110 HA ILE 15 HA ILE 15 3.602 -7.368 -1.135
111 HB ILE 15 HB ILE 15 2.981 -4.655 -0.121
112 HG1 ILE 15 2HG1 ILE 15 3.511 -7.301 1.263
113 HG1 ILE 15 QG1 ILE 15 3.511 -7.301 1.263
114 1HG2 ILE 15 2HG2 ILE 15 1.040 -6.953 0.007
115 2HG2 ILE 15 3HG2 ILE 15 1.131 -5.744 1.310
116 3HG2 ILE 15 1HG2 ILE 15 0.738 -5.236 -0.350
117 1HD1 ILE 15 1HD1 ILE 15 5.273 -5.221 0.052
118 2HD1 ILE 15 2HD1 ILE 15 5.693 -5.713 1.710
119 3HD1 ILE 15 3HD1 ILE 15 5.613 -6.931 0.414
120 H ARG 16 H ARG 16 2.699 -8.411 -2.894
121 HA ARG 16 HA ARG 16 0.614 -7.007 -4.299
122 HB ARG 16 2HB ARG 16 0.954 -9.734 -5.220
123 HB ARG 16 QB ARG 16 0.954 -9.734 -5.220
124 HG ARG 16 2HG ARG 16 1.087 -6.981 -6.232
125 HG ARG 16 QG ARG 16 1.087 -6.981 -6.232
126 HD ARG 16 2HD ARG 16 3.139 -9.020 -7.177
127 HD ARG 16 QD ARG 16 3.139 -9.020 -7.177
128 HE ARG 16 HE ARG 16 1.508 -7.703 -8.982
129 1HH1 ARG 16 2HH2 ARG 16 4.938 -7.403 -8.142
130 2HH1 ARG 16 1HH2 ARG 16 5.405 -6.868 -9.722
131 HH2 ARG 16 1HH ARG 16 3.735 -6.636 -11.425
132 H LEU 17 H LEU 17 -1.316 -7.065 -3.135
133 HA LEU 17 HA LEU 17 -2.039 -9.582 -1.849
134 HB LEU 17 2HB LEU 17 -3.971 -7.963 -1.063
135 HB LEU 17 QB LEU 17 -3.971 -7.963 -1.063
136 HG LEU 17 HG LEU 17 -1.165 -8.126 -0.017
137 1HD1 LEU 17 1HD1 LEU 17 -3.127 -5.994 0.613
138 2HD1 LEU 17 2HD1 LEU 17 -2.334 -6.779 1.999
139 3HD1 LEU 17 3HD1 LEU 17 -1.352 -6.003 0.733
140 1HD2 LEU 17 2HD2 LEU 17 -3.886 -9.089 0.804
141 2HD2 LEU 17 3HD2 LEU 17 -2.357 -9.987 0.640
142 3HD2 LEU 17 1HD2 LEU 17 -2.604 -8.895 2.024
143 H THR 18 H THR 18 -3.647 -10.901 -2.598
144 HA THR 18 HA THR 18 -5.273 -9.851 -4.816
145 HB THR 18 HB THR 18 -5.012 -12.394 -5.588
146 HG1 THR 18 1HG THR 18 -2.760 -13.010 -4.868
147 1HG2 THR 18 1HG2 THR 18 -2.927 -10.186 -5.840
148 2HG2 THR 18 2HG2 THR 18 -2.667 -11.776 -6.595
149 3HG2 THR 18 3HG2 THR 18 -4.060 -10.780 -7.078
150 H GLY 19 H GLY 19 -7.338 -9.754 -4.226
151 1HA GLY 19 1HA GLY 19 -9.000 -11.732 -3.609
152 2HA GLY 19 2HA GLY 19 -8.269 -11.443 -2.043
153 H GLU 20 H GLU 20 -8.970 -9.727 -0.784
154 HA GLU 20 HA GLU 20 -10.395 -7.600 -2.104
155 HB GLU 20 2HB GLU 20 -12.048 -8.140 0.102
156 HB GLU 20 QB GLU 20 -12.048 -8.140 0.102
157 HG GLU 20 2HG GLU 20 -12.688 -9.222 -2.649
158 HG GLU 20 QG GLU 20 -12.688 -9.222 -2.649
159 HE2 GLU 20 HE GLU 20 -15.969 -8.518 -1.826
160 H LEU 21 H LEU 21 -10.740 -5.707 -0.630
161 HA LEU 21 HA LEU 21 -8.868 -5.806 1.632
162 HB LEU 21 2HB LEU 21 -9.297 -3.681 -0.456
163 HB LEU 21 QB LEU 21 -9.297 -3.681 -0.456
164 HG LEU 21 HG LEU 21 -7.307 -2.612 0.940
165 1HD1 LEU 21 3HD1 LEU 21 -10.110 -2.080 0.614
166 2HD1 LEU 21 1HD1 LEU 21 -9.589 -1.562 2.234
167 3HD1 LEU 21 2HD1 LEU 21 -8.754 -0.940 0.790
168 1HD2 LEU 21 1HD2 LEU 21 -7.651 -4.493 2.690
169 2HD2 LEU 21 2HD2 LEU 21 -7.395 -2.823 3.248
170 3HD2 LEU 21 3HD2 LEU 21 -9.036 -3.513 3.230
171 H ASP 22 H ASP 22 -10.605 -6.391 3.061
172 HA ASP 22 HA ASP 22 -12.381 -4.126 3.518
173 HB ASP 22 2HB ASP 22 -14.210 -5.471 3.448
174 HB ASP 22 QB ASP 22 -14.210 -5.471 3.448
175 HD2 ASP 22 HD ASP 22 -14.377 -8.490 2.889
176 H HIS 23 H HIS 23 -13.319 -4.348 5.930
177 HA HIS 23 HA HIS 23 -11.257 -4.158 7.695
178 HB HIS 23 2HB HIS 23 -13.807 -3.559 7.843
179 HB HIS 23 QB HIS 23 -13.807 -3.559 7.843
180 HD1 HIS 23 1HD HIS 23 -13.520 -5.753 10.824
181 HD2 HIS 23 2HD HIS 23 -15.586 -5.751 7.173
182 HE1 HIS 23 1HE HIS 23 -15.367 -7.500 11.048
183 H HIS 24 H HIS 24 -12.534 -7.008 6.212
184 HA HIS 24 HA HIS 24 -11.677 -8.732 8.362
185 HB HIS 24 2HB HIS 24 -12.348 -10.505 6.582
186 HB HIS 24 QB HIS 24 -12.348 -10.505 6.582
187 HD1 HIS 24 1HD HIS 24 -13.512 -11.222 8.814
188 HD2 HIS 24 2HD HIS 24 -15.371 -8.025 6.834
189 HE1 HIS 24 1HE HIS 24 -15.799 -10.935 9.910
190 H THR 25 H THR 25 -10.789 -7.996 4.926
191 HA THR 25 HA THR 25 -8.429 -9.638 5.122
192 HB THR 25 HB THR 25 -8.338 -9.298 2.795
193 HG1 THR 25 1HG THR 25 -8.045 -6.973 2.993
194 1HG2 THR 25 2HG2 THR 25 -10.849 -9.823 3.651
195 2HG2 THR 25 3HG2 THR 25 -11.142 -8.198 2.986
196 3HG2 THR 25 1HG2 THR 25 -10.509 -9.488 1.936
197 H ALA 26 H ALA 26 -9.308 -6.231 5.550
198 HA ALA 26 HA ALA 26 -6.825 -5.076 5.216
199 1HB ALA 26 2HB ALA 26 -9.341 -4.250 5.915
200 2HB ALA 26 3HB ALA 26 -8.477 -4.061 7.461
201 3HB ALA 26 1HB ALA 26 -7.888 -3.226 6.003
202 H GLU 27 H GLU 27 -8.200 -6.951 7.942
203 HA GLU 27 HA GLU 27 -6.452 -6.303 9.898
204 HB GLU 27 2HB GLU 27 -6.878 -9.153 9.994
205 HB GLU 27 QB GLU 27 -6.878 -9.153 9.994
206 HG GLU 27 2HG GLU 27 -7.607 -6.698 11.458
207 HG GLU 27 QG GLU 27 -7.607 -6.698 11.458
208 HE2 GLU 27 HE GLU 27 -10.159 -7.470 13.197
209 H THR 28 H THR 28 -6.055 -8.878 7.368
210 HA THR 28 HA THR 28 -3.660 -9.923 8.129
211 HB THR 28 HB THR 28 -5.204 -9.545 5.599
212 HG1 THR 28 1HG THR 28 -3.575 -11.663 6.815
213 1HG2 THR 28 2HG2 THR 28 -2.241 -10.329 5.627
214 2HG2 THR 28 3HG2 THR 28 -3.355 -10.633 4.272
215 3HG2 THR 28 1HG2 THR 28 -2.953 -8.962 4.736
216 H LEU 29 H LEU 29 -4.166 -6.921 6.177
217 HA LEU 29 HA LEU 29 -1.400 -6.429 5.925
218 HB LEU 29 2HB LEU 29 -3.305 -4.169 5.811
219 HB LEU 29 QB LEU 29 -3.305 -4.169 5.811
220 HG LEU 29 HG LEU 29 -1.146 -3.805 4.824
221 1HD1 LEU 29 2HD1 LEU 29 -1.446 -6.555 3.935
222 2HD1 LEU 29 3HD1 LEU 29 -0.941 -5.480 2.609
223 3HD1 LEU 29 1HD1 LEU 29 0.019 -5.558 4.106
224 1HD2 LEU 29 2HD2 LEU 29 -3.597 -3.710 3.317
225 2HD2 LEU 29 3HD2 LEU 29 -2.218 -2.584 3.315
226 3HD2 LEU 29 1HD2 LEU 29 -2.219 -3.992 2.225
227 H LYS 30 H LYS 30 -3.795 -5.871 8.455
228 HA LYS 30 HA LYS 30 -2.728 -3.754 9.800
229 HB LYS 30 2HB LYS 30 -3.714 -6.148 11.318
230 HB LYS 30 QB LYS 30 -3.714 -6.148 11.318
231 HG LYS 30 2HG LYS 30 -5.196 -3.981 12.061
232 HG LYS 30 QG LYS 30 -5.196 -3.981 12.061
233 HD LYS 30 2HD LYS 30 -3.049 -5.488 13.143
234 HD LYS 30 QD LYS 30 -3.049 -5.488 13.143
235 HE LYS 30 2HE LYS 30 -2.109 -2.857 12.619
236 HE LYS 30 QE LYS 30 -2.109 -2.857 12.619
237 1HZ LYS 30 1HZ LYS 30 -3.413 -2.138 14.565
238 2HZ LYS 30 2HZ LYS 30 -2.689 -3.252 15.507
239 H GLN 31 H GLN 31 -1.660 -7.195 9.811
240 HA GLN 31 HA GLN 31 0.360 -6.634 11.730
241 HB GLN 31 2HB GLN 31 -0.832 -8.871 11.400
242 HB GLN 31 QB GLN 31 -0.832 -8.871 11.400
243 HG GLN 31 2HG GLN 31 1.196 -9.739 9.435
244 HG GLN 31 QG GLN 31 1.196 -9.739 9.435
245 1HE2 GLN 31 2HE2 GLN 31 -2.841 -10.669 9.718
246 2HE2 GLN 31 1HE2 GLN 31 -2.246 -9.080 10.061
247 H LYS 32 H LYS 32 0.036 -6.640 8.205
248 HA LYS 32 HA LYS 32 2.810 -6.818 7.651
249 HB LYS 32 2HB LYS 32 0.526 -5.768 5.953
250 HB LYS 32 QB LYS 32 0.526 -5.768 5.953
251 HG LYS 32 2HG LYS 32 2.915 -5.189 5.226
252 HG LYS 32 QG LYS 32 2.915 -5.189 5.226
253 HD LYS 32 2HD LYS 32 3.049 -8.226 4.897
254 HD LYS 32 QD LYS 32 3.049 -8.226 4.897
255 HE LYS 32 2HE LYS 32 4.584 -5.942 3.730
256 HE LYS 32 QE LYS 32 4.584 -5.942 3.730
257 1HZ LYS 32 1HZ LYS 32 6.659 -7.072 3.883
258 2HZ LYS 32 2HZ LYS 32 6.109 -7.020 5.415
259 H VAL 33 H VAL 33 0.905 -4.431 9.148
260 HA VAL 33 HA VAL 33 2.392 -2.200 8.068
261 HB VAL 33 HB VAL 33 0.424 -2.270 10.358
262 1HG1 VAL 33 3HG1 VAL 33 1.879 -0.161 8.909
263 2HG1 VAL 33 1HG1 VAL 33 0.127 0.125 9.041
264 3HG1 VAL 33 2HG1 VAL 33 1.101 -0.130 10.509
265 1HG2 VAL 33 2HG2 VAL 33 -0.020 -2.720 7.515
266 2HG2 VAL 33 3HG2 VAL 33 -1.146 -2.876 8.885
267 3HG2 VAL 33 1HG2 VAL 33 -0.905 -1.293 8.106
268 H THR 34 H THR 34 1.985 -3.910 11.245
269 HA THR 34 HA THR 34 3.803 -2.440 12.698
270 HB THR 34 HB THR 34 2.393 -4.010 13.829
271 HG1 THR 34 1HG THR 34 4.672 -3.981 14.547
272 1HG2 THR 34 2HG2 THR 34 3.610 -6.124 11.975
273 2HG2 THR 34 3HG2 THR 34 2.576 -6.490 13.378
274 3HG2 THR 34 1HG2 THR 34 1.910 -5.595 11.990
275 H GLN 35 H GLN 35 4.393 -5.072 10.342
276 HA GLN 35 HA GLN 35 7.028 -5.505 10.986
277 HB GLN 35 2HB GLN 35 5.634 -6.909 9.448
278 HB GLN 35 QB GLN 35 5.634 -6.909 9.448
279 HG GLN 35 2HG GLN 35 5.057 -4.574 8.127
280 HG GLN 35 QG GLN 35 5.057 -4.574 8.127
281 1HE2 GLN 35 2HE2 GLN 35 6.936 -3.781 5.292
282 2HE2 GLN 35 1HE2 GLN 35 5.457 -3.602 6.174
283 H SER 36 H SER 36 5.473 -2.982 8.970
284 HA SER 36 HA SER 36 7.974 -2.028 8.015
285 HB SER 36 2HB SER 36 5.452 -0.371 7.953
286 HB SER 36 QB SER 36 5.452 -0.371 7.953
287 HG SER 36 HG SER 36 6.222 -0.070 5.731
288 H LEU 37 H LEU 37 5.854 -1.495 10.788
289 HA LEU 37 HA LEU 37 6.447 1.062 11.524
290 HB LEU 37 2HB LEU 37 6.463 -0.598 13.847
291 HB LEU 37 QB LEU 37 6.463 -0.598 13.847
292 HG LEU 37 HG LEU 37 4.016 0.700 12.643
293 1HD1 LEU 37 3HD1 LEU 37 4.848 -0.206 15.383
294 2HD1 LEU 37 1HD1 LEU 37 3.657 1.102 15.191
295 3HD1 LEU 37 2HD1 LEU 37 3.334 -0.504 14.495
296 1HD2 LEU 37 3HD2 LEU 37 6.453 2.019 13.269
297 2HD2 LEU 37 1HD2 LEU 37 4.884 2.730 12.819
298 3HD2 LEU 37 2HD2 LEU 37 5.270 2.437 14.532
299 H GLU 38 H GLU 38 8.436 -1.910 11.893
300 HA GLU 38 HA GLU 38 10.761 -0.317 11.981
301 HB GLU 38 2HB GLU 38 11.276 -1.702 14.325
302 HB GLU 38 QB GLU 38 11.276 -1.702 14.325
303 HG GLU 38 2HG GLU 38 10.293 0.769 15.200
304 HG GLU 38 QG GLU 38 10.293 0.769 15.200
305 HE2 GLU 38 HE GLU 38 13.090 1.979 13.808
306 H LYS 39 H LYS 39 10.849 -1.774 10.041
307 HA LYS 39 HA LYS 39 11.057 -4.577 10.453
308 HB LYS 39 2HB LYS 39 11.856 -2.871 8.075
309 HB LYS 39 QB LYS 39 11.856 -2.871 8.075
310 HG LYS 39 2HG LYS 39 12.766 -5.268 8.201
311 HG LYS 39 QG LYS 39 12.766 -5.268 8.201
312 HD LYS 39 2HD LYS 39 10.591 -6.761 7.375
313 HD LYS 39 QD LYS 39 10.591 -6.761 7.375
314 HE LYS 39 2HE LYS 39 10.953 -6.772 10.318
315 HE LYS 39 QE LYS 39 10.953 -6.772 10.318
316 1HZ LYS 39 1HZ LYS 39 12.023 -8.963 8.886
317 2HZ LYS 39 2HZ LYS 39 10.700 -8.937 9.836
318 H ASP 40 H ASP 40 13.401 -1.866 9.974
319 HA ASP 40 HA ASP 40 15.262 -2.790 11.665
320 HB ASP 40 2HB ASP 40 16.911 -3.564 9.601
321 HB ASP 40 QB ASP 40 16.911 -3.564 9.601
322 HD1 ASP 40 HD ASP 40 16.760 -3.993 12.146
323 H ASP 41 H ASP 41 16.290 -2.340 8.258
324 HA ASP 41 HA ASP 41 17.507 0.125 8.955
325 HB ASP 41 2HB ASP 41 17.195 -0.911 6.121
326 HB ASP 41 QB ASP 41 17.195 -0.911 6.121
327 HD2 ASP 41 HD ASP 41 19.447 -0.840 5.175
328 H ILE 42 H ILE 42 16.955 0.968 5.947
329 HA ILE 42 HA ILE 42 14.244 2.006 6.401
330 HB ILE 42 HB ILE 42 16.772 3.400 5.680
331 HG1 ILE 42 2HG1 ILE 42 15.474 5.224 6.981
332 HG1 ILE 42 QG1 ILE 42 15.474 5.224 6.981
333 1HG2 ILE 42 3HG2 ILE 42 14.155 3.837 4.329
334 2HG2 ILE 42 1HG2 ILE 42 15.068 5.275 4.846
335 3HG2 ILE 42 2HG2 ILE 42 15.815 4.096 3.742
336 1HD1 ILE 42 2HD1 ILE 42 13.305 3.730 6.782
337 2HD1 ILE 42 3HD1 ILE 42 14.026 2.831 8.138
338 3HD1 ILE 42 1HD1 ILE 42 13.654 4.563 8.316
339 H ARG 43 H ARG 43 13.489 0.110 5.210
340 HA ARG 43 HA ARG 43 14.418 -0.171 2.538
341 HB ARG 43 2HB ARG 43 12.132 -1.722 2.689
342 HB ARG 43 QB ARG 43 12.132 -1.722 2.689
343 HG ARG 43 2HG ARG 43 14.071 -2.894 2.117
344 HG ARG 43 QG ARG 43 14.071 -2.894 2.117
345 HD ARG 43 2HD ARG 43 15.300 -1.235 4.287
346 HD ARG 43 QD ARG 43 15.300 -1.235 4.287
347 HE ARG 43 HE ARG 43 16.185 -3.252 5.175
348 1HH1 ARG 43 2HH2 ARG 43 16.594 -3.157 1.656
349 2HH1 ARG 43 1HH2 ARG 43 17.698 -4.491 1.624
350 HH2 ARG 43 1HH ARG 43 18.299 -5.567 3.680
351 H HIS 44 H HIS 44 12.024 -0.779 1.122
352 HA HIS 44 HA HIS 44 10.505 1.713 1.298
353 HB HIS 44 2HB HIS 44 10.484 1.767 -1.209
354 HB HIS 44 QB HIS 44 10.484 1.767 -1.209
355 HD1 HIS 44 1HD HIS 44 11.614 3.603 1.024
356 HD2 HIS 44 2HD HIS 44 13.943 1.844 -1.989
357 HE1 HIS 44 1HE HIS 44 13.709 5.043 0.807
358 H ILE 45 H ILE 45 8.328 1.553 0.267
359 HA ILE 45 HA ILE 45 7.359 -1.203 0.504
360 HB ILE 45 HB ILE 45 5.146 -0.095 0.851
361 HG1 ILE 45 2HG1 ILE 45 6.501 2.463 1.546
362 HG1 ILE 45 QG1 ILE 45 6.501 2.463 1.546
363 1HG2 ILE 45 2HG2 ILE 45 7.400 -0.313 2.648
364 2HG2 ILE 45 3HG2 ILE 45 6.322 1.015 3.142
365 3HG2 ILE 45 1HG2 ILE 45 5.673 -0.631 2.940
366 1HD1 ILE 45 3HD1 ILE 45 7.334 2.000 -0.761
367 2HD1 ILE 45 1HD1 ILE 45 5.659 1.718 -1.293
368 3HD1 ILE 45 2HD1 ILE 45 6.156 3.334 -0.738
369 H VAL 46 H VAL 46 5.622 -1.876 -1.015
370 HA VAL 46 HA VAL 46 5.346 -0.332 -3.420
371 HB VAL 46 HB VAL 46 7.211 -2.619 -3.205
372 1HG1 VAL 46 3HG1 VAL 46 5.348 -3.637 -4.464
373 2HG1 VAL 46 1HG1 VAL 46 5.417 -2.298 -5.635
374 3HG1 VAL 46 2HG1 VAL 46 6.794 -3.414 -5.476
375 1HG2 VAL 46 2HG2 VAL 46 7.596 -0.082 -3.835
376 2HG2 VAL 46 3HG2 VAL 46 8.524 -1.374 -4.632
377 3HG2 VAL 46 1HG2 VAL 46 7.128 -0.642 -5.459
378 H LEU 47 H LEU 47 3.129 -0.370 -2.734
379 HA LEU 47 HA LEU 47 1.880 -2.950 -2.419
380 HB LEU 47 2HB LEU 47 -0.183 -1.441 -2.212
381 HB LEU 47 QB LEU 47 -0.183 -1.441 -2.212
382 HG LEU 47 HG LEU 47 0.248 -0.758 0.044
383 1HD1 LEU 47 1HD1 LEU 47 0.689 -3.380 -0.906
384 2HD1 LEU 47 2HD1 LEU 47 1.885 -3.095 0.381
385 3HD1 LEU 47 3HD1 LEU 47 0.150 -2.869 0.711
386 1HD2 LEU 47 2HD2 LEU 47 3.188 -1.128 -0.585
387 2HD2 LEU 47 3HD2 LEU 47 2.347 0.397 -0.220
388 3HD2 LEU 47 1HD2 LEU 47 2.518 -0.848 1.040
389 H ASN 48 H ASN 48 0.129 -3.725 -3.778
390 HA ASN 48 HA ASN 48 -0.611 -2.455 -6.108
391 HB ASN 48 2HB ASN 48 1.784 -4.293 -6.314
392 HB ASN 48 QB ASN 48 1.784 -4.293 -6.314
393 1HD2 ASN 48 2HD2 ASN 48 1.096 -5.827 -9.404
394 2HD2 ASN 48 1HD2 ASN 48 2.312 -5.254 -8.310
395 H LEU 49 H LEU 49 -2.681 -3.353 -6.086
396 HA LEU 49 HA LEU 49 -2.916 -6.179 -5.371
397 HB LEU 49 2HB LEU 49 -5.461 -5.137 -5.518
398 HB LEU 49 QB LEU 49 -5.461 -5.137 -5.518
399 HG LEU 49 HG LEU 49 -3.785 -6.142 -3.472
400 1HD1 LEU 49 3HD1 LEU 49 -4.083 -3.387 -3.066
401 2HD1 LEU 49 1HD1 LEU 49 -5.254 -4.155 -1.966
402 3HD1 LEU 49 2HD1 LEU 49 -3.533 -4.604 -1.889
403 1HD2 LEU 49 2HD2 LEU 49 -6.726 -5.604 -3.786
404 2HD2 LEU 49 3HD2 LEU 49 -5.850 -7.153 -3.767
405 3HD2 LEU 49 1HD2 LEU 49 -6.075 -6.239 -2.256
406 H GLU 50 H GLU 50 -3.080 -7.632 -6.984
407 HA GLU 50 HA GLU 50 -3.672 -6.643 -9.608
408 HB GLU 50 2HB GLU 50 -3.402 -9.547 -9.411
409 HB GLU 50 QB GLU 50 -3.402 -9.547 -9.411
410 HG GLU 50 2HG GLU 50 -1.098 -8.565 -10.577
411 HG GLU 50 QG GLU 50 -1.098 -8.565 -10.577
412 HE2 GLU 50 HE GLU 50 -2.495 -9.612 -13.577
413 H ASP 51 H ASP 51 -5.286 -8.247 -6.941
414 HA ASP 51 HA ASP 51 -7.497 -8.876 -8.731
415 HB ASP 51 2HB ASP 51 -6.722 -9.981 -5.995
416 HB ASP 51 QB ASP 51 -6.722 -9.981 -5.995
417 HD2 ASP 51 HD ASP 51 -9.235 -12.388 -6.445
418 H LEU 52 H LEU 52 -7.619 -6.293 -8.347
419 HA LEU 52 HA LEU 52 -8.688 -5.569 -5.775
420 HB LEU 52 2HB LEU 52 -8.431 -3.938 -8.304
421 HB LEU 52 QB LEU 52 -8.431 -3.938 -8.304
422 HG LEU 52 HG LEU 52 -8.788 -2.041 -7.131
423 1HD1 LEU 52 1HD1 LEU 52 -10.215 -4.020 -5.334
424 2HD1 LEU 52 2HD1 LEU 52 -10.544 -2.273 -5.426
425 3HD1 LEU 52 3HD1 LEU 52 -10.841 -3.310 -6.842
426 1HD2 LEU 52 1HD2 LEU 52 -7.370 -3.452 -4.912
427 2HD2 LEU 52 2HD2 LEU 52 -7.041 -1.874 -5.668
428 3HD2 LEU 52 3HD2 LEU 52 -8.389 -2.047 -4.519
429 H SER 53 H SER 53 -10.657 -6.528 -5.377
430 HA SER 53 HA SER 53 -12.624 -6.292 -7.501
431 HB SER 53 2HB SER 53 -12.458 -8.052 -5.025
432 HB SER 53 QB SER 53 -12.458 -8.052 -5.025
433 HG SER 53 HG SER 53 -14.653 -7.657 -5.174
434 H PHE 54 H PHE 54 -12.976 -6.471 -3.897
435 HA PHE 54 HA PHE 54 -14.965 -4.411 -3.997
436 HB PHE 54 2HB PHE 54 -13.544 -6.020 -1.794
437 HB PHE 54 QB PHE 54 -13.544 -6.020 -1.794
438 HD1 PHE 54 1HD PHE 54 -16.897 -4.438 -2.256
439 HD2 PHE 54 2HD PHE 54 -13.496 -4.926 0.235
440 HE1 PHE 54 1HE PHE 54 -18.019 -3.091 -0.460
441 HE2 PHE 54 2HE PHE 54 -14.619 -3.579 2.031
442 HZ PHE 54 HZ PHE 54 -16.866 -2.678 1.663
443 H MET 55 H MET 55 -12.023 -4.787 -1.891
444 HA MET 55 HA MET 55 -10.893 -3.214 -0.828
445 HB MET 55 2HB MET 55 -10.581 -1.854 -3.532
446 HB MET 55 QB MET 55 -10.581 -1.854 -3.532
447 HG MET 55 2HG MET 55 -9.101 -1.926 -1.086
448 HG MET 55 QG MET 55 -9.101 -1.926 -1.086
449 1HE MET 55 3HE MET 55 -9.532 -4.633 -1.900
450 2HE MET 55 1HE MET 55 -8.800 -5.061 -3.465
451 3HE MET 55 2HE MET 55 -8.031 -5.588 -1.949
452 H ASP 56 H ASP 56 -12.539 -2.141 0.422
453 HA ASP 56 HA ASP 56 -13.551 0.289 -0.809
454 HB ASP 56 2HB ASP 56 -14.449 -0.775 1.880
455 HB ASP 56 QB ASP 56 -14.449 -0.775 1.880
456 HD2 ASP 56 HD ASP 56 -16.521 1.188 2.222
457 H SER 57 H SER 57 -14.195 1.184 2.107
458 HA SER 57 HA SER 57 -11.555 2.273 2.597
459 HB SER 57 2HB SER 57 -13.854 3.246 4.216
460 HB SER 57 QB SER 57 -13.854 3.246 4.216
461 HG SER 57 HG SER 57 -12.759 5.172 2.711
462 H SER 58 H SER 58 -13.354 -0.369 3.522
463 HA SER 58 HA SER 58 -13.373 -0.317 6.256
464 HB SER 58 2HB SER 58 -13.932 -2.557 6.105
465 HB SER 58 QB SER 58 -13.932 -2.557 6.105
466 HG SER 58 HG SER 58 -15.213 -2.650 4.387
467 H GLY 59 H GLY 59 -10.739 -1.095 3.939
468 1HA GLY 59 1HA GLY 59 -8.903 -1.520 6.212
469 2HA GLY 59 2HA GLY 59 -8.684 -2.130 4.584
470 H LEU 60 H LEU 60 -10.034 1.027 4.511
471 HA LEU 60 HA LEU 60 -7.920 2.155 3.177
472 HB LEU 60 2HB LEU 60 -9.436 4.100 4.705
473 HB LEU 60 QB LEU 60 -9.436 4.100 4.705
474 HG LEU 60 HG LEU 60 -10.452 4.501 2.360
475 1HD1 LEU 60 3HD1 LEU 60 -7.509 4.932 2.934
476 2HD1 LEU 60 1HD1 LEU 60 -8.424 5.743 1.639
477 3HD1 LEU 60 2HD1 LEU 60 -8.862 6.015 3.343
478 1HD2 LEU 60 3HD2 LEU 60 -9.514 2.146 1.655
479 2HD2 LEU 60 1HD2 LEU 60 -9.566 3.498 0.499
480 3HD2 LEU 60 2HD2 LEU 60 -8.038 3.079 1.310
481 H GLY 61 H GLY 61 -8.630 2.066 6.702
482 1HA GLY 61 1HA GLY 61 -6.485 3.800 7.423
483 2HA GLY 61 2HA GLY 61 -7.419 2.758 8.478
484 H VAL 62 H VAL 62 -6.947 0.212 7.239
485 HA VAL 62 HA VAL 62 -4.571 -0.515 8.450
486 HB VAL 62 HB VAL 62 -6.734 -1.749 7.273
487 1HG1 VAL 62 3HG1 VAL 62 -4.240 -2.426 5.679
488 2HG1 VAL 62 1HG1 VAL 62 -5.726 -3.408 5.697
489 3HG1 VAL 62 2HG1 VAL 62 -5.765 -1.745 5.063
490 1HG2 VAL 62 2HG2 VAL 62 -5.020 -2.349 9.214
491 2HG2 VAL 62 3HG2 VAL 62 -6.040 -3.593 8.452
492 3HG2 VAL 62 1HG2 VAL 62 -4.339 -3.410 7.959
493 H ILE 63 H ILE 63 -5.225 0.902 5.288
494 HA ILE 63 HA ILE 63 -2.576 0.189 4.335
495 HB ILE 63 HB ILE 63 -5.069 1.305 3.148
496 HG1 ILE 63 2HG1 ILE 63 -3.631 -1.150 3.090
497 HG1 ILE 63 QG1 ILE 63 -3.631 -1.150 3.090
498 1HG2 ILE 63 3HG2 ILE 63 -3.364 2.951 2.515
499 2HG2 ILE 63 1HG2 ILE 63 -2.336 1.642 1.881
500 3HG2 ILE 63 2HG2 ILE 63 -3.907 1.990 1.118
501 1HD1 ILE 63 1HD1 ILE 63 -6.119 -0.017 1.767
502 2HD1 ILE 63 2HD1 ILE 63 -5.577 -1.680 1.439
503 3HD1 ILE 63 3HD1 ILE 63 -6.007 -1.194 3.096
504 H LEU 64 H LEU 64 -4.449 2.936 5.630
505 HA LEU 64 HA LEU 64 -2.509 4.887 4.961
506 HB LEU 64 2HB LEU 64 -4.146 5.548 7.251
507 HB LEU 64 QB LEU 64 -4.146 5.548 7.251
508 HG LEU 64 HG LEU 64 -3.249 6.933 5.094
509 1HD1 LEU 64 1HD1 LEU 64 -4.992 5.623 3.720
510 2HD1 LEU 64 2HD1 LEU 64 -6.192 6.679 4.502
511 3HD1 LEU 64 3HD1 LEU 64 -4.896 7.387 3.509
512 1HD2 LEU 64 3HD2 LEU 64 -4.868 7.404 7.377
513 2HD2 LEU 64 1HD2 LEU 64 -3.917 8.572 6.428
514 3HD2 LEU 64 2HD2 LEU 64 -5.617 8.255 6.005
515 H GLY 65 H GLY 65 -2.970 2.576 7.619
516 1HA GLY 65 1HA GLY 65 -1.271 3.791 9.507
517 2HA GLY 65 2HA GLY 65 -1.725 2.100 9.430
518 H ARG 66 H ARG 66 -0.674 1.876 6.566
519 HA ARG 66 HA ARG 66 1.951 1.178 7.344
520 HB ARG 66 2HB ARG 66 1.539 1.124 4.454
521 HB ARG 66 QB ARG 66 1.539 1.124 4.454
522 HG ARG 66 2HG ARG 66 1.988 -0.822 6.710
523 HG ARG 66 QG ARG 66 1.988 -0.822 6.710
524 HD ARG 66 2HD ARG 66 0.149 -1.595 4.866
525 HD ARG 66 QD ARG 66 0.149 -1.595 4.866
526 HE ARG 66 HE ARG 66 1.297 -1.690 2.819
527 1HH1 ARG 66 2HH2 ARG 66 3.343 -3.064 5.365
528 2HH1 ARG 66 1HH2 ARG 66 4.533 -3.663 4.258
529 HH2 ARG 66 1HH ARG 66 4.232 -3.309 1.906
530 H TYR 67 H TYR 67 0.368 3.754 5.413
531 HA TYR 67 HA TYR 67 2.598 4.789 4.135
532 HB TYR 67 2HB TYR 67 0.474 6.584 5.342
533 HB TYR 67 QB TYR 67 0.474 6.584 5.342
534 HD1 TYR 67 2HD TYR 67 0.385 5.188 1.931
535 HD2 TYR 67 1HD TYR 67 1.658 8.468 4.365
536 HE1 TYR 67 2HE TYR 67 0.814 6.578 -0.154
537 HE2 TYR 67 1HE TYR 67 2.083 9.847 2.271
538 HH TYR 67 HH TYR 67 2.664 8.974 -0.372
539 H LYS 68 H LYS 68 1.210 5.539 7.395
540 HA LYS 68 HA LYS 68 3.369 7.393 7.894
541 HB LYS 68 2HB LYS 68 2.164 8.057 9.782
542 HB LYS 68 QB LYS 68 2.164 8.057 9.782
543 HG LYS 68 2HG LYS 68 -0.402 7.541 8.846
544 HG LYS 68 QG LYS 68 -0.402 7.541 8.846
545 HD LYS 68 2HD LYS 68 0.103 9.655 7.357
546 HD LYS 68 QD LYS 68 0.103 9.655 7.357
547 HE LYS 68 2HE LYS 68 0.690 9.789 10.353
548 HE LYS 68 QE LYS 68 0.690 9.789 10.353
549 1HZ LYS 68 1HZ LYS 68 0.228 11.747 8.316
550 2HZ LYS 68 2HZ LYS 68 -0.863 11.885 9.517
551 H GLN 69 H GLN 69 3.445 4.211 7.562
552 HA GLN 69 HA GLN 69 4.884 3.755 10.052
553 HB GLN 69 2HB GLN 69 4.577 1.339 8.506
554 HB GLN 69 QB GLN 69 4.577 1.339 8.506
555 HG GLN 69 2HG GLN 69 4.672 1.754 11.070
556 HG GLN 69 QG GLN 69 4.672 1.754 11.070
557 1HE2 GLN 69 2HE2 GLN 69 1.076 1.991 12.424
558 2HE2 GLN 69 1HE2 GLN 69 2.092 0.630 12.088
559 H ILE 70 H ILE 70 5.134 3.990 6.535
560 HA ILE 70 HA ILE 70 7.864 2.965 6.618
561 HB ILE 70 HB ILE 70 6.187 2.186 4.920
562 HG1 ILE 70 2HG1 ILE 70 8.774 3.443 3.959
563 HG1 ILE 70 QG1 ILE 70 8.774 3.443 3.959
564 1HG2 ILE 70 1HG2 ILE 70 6.546 5.008 3.878
565 2HG2 ILE 70 2HG2 ILE 70 5.844 3.664 2.946
566 3HG2 ILE 70 3HG2 ILE 70 5.038 4.238 4.426
567 1HD1 ILE 70 2HD1 ILE 70 8.207 1.247 5.709
568 2HD1 ILE 70 3HD1 ILE 70 8.736 0.561 4.154
569 3HD1 ILE 70 1HD1 ILE 70 9.778 1.716 5.018
570 H LYS 71 H LYS 71 5.924 5.927 6.158
571 HA LYS 71 HA LYS 71 8.180 7.474 5.335
572 HB LYS 71 2HB LYS 71 6.219 9.243 6.167
573 HB LYS 71 QB LYS 71 6.219 9.243 6.167
574 HG LYS 71 2HG LYS 71 6.472 7.804 3.483
575 HG LYS 71 QG LYS 71 6.472 7.804 3.483
576 HD LYS 71 2HD LYS 71 5.017 10.271 4.425
577 HD LYS 71 QD LYS 71 5.017 10.271 4.425
578 HE LYS 71 2HE LYS 71 5.035 11.022 1.964
579 HE LYS 71 QE LYS 71 5.035 11.022 1.964
580 1HZ LYS 71 1HZ LYS 71 6.545 12.505 2.679
581 2HZ LYS 71 2HZ LYS 71 6.805 11.595 4.005
582 H GLN 72 H GLN 72 6.784 6.380 8.362
583 HA GLN 72 HA GLN 72 7.864 8.475 9.914
584 HB GLN 72 2HB GLN 72 6.328 5.998 10.346
585 HB GLN 72 QB GLN 72 6.328 5.998 10.346
586 HG GLN 72 2HG GLN 72 8.487 6.846 12.318
587 HG GLN 72 QG GLN 72 8.487 6.846 12.318
588 1HE2 GLN 72 2HE2 GLN 72 5.050 4.887 13.596
589 2HE2 GLN 72 1HE2 GLN 72 5.607 4.772 11.960
590 H ILE 73 H ILE 73 9.079 5.474 8.536
591 HA ILE 73 HA ILE 73 11.274 5.261 10.373
592 HB ILE 73 HB ILE 73 11.284 3.859 7.759
593 HG1 ILE 73 2HG1 ILE 73 9.622 2.184 8.727
594 HG1 ILE 73 QG1 ILE 73 9.622 2.184 8.727
595 1HG2 ILE 73 3HG2 ILE 73 12.877 3.596 9.807
596 2HG2 ILE 73 1HG2 ILE 73 11.552 2.617 10.479
597 3HG2 ILE 73 2HG2 ILE 73 12.305 2.154 8.935
598 1HD1 ILE 73 1HD1 ILE 73 9.660 3.971 10.907
599 2HD1 ILE 73 2HD1 ILE 73 8.123 4.307 10.074
600 3HD1 ILE 73 3HD1 ILE 73 8.490 2.657 10.633
601 H GLY 74 H GLY 74 10.634 6.584 7.101
602 1HA GLY 74 1HA GLY 74 12.028 8.637 6.740
603 2HA GLY 74 2HA GLY 74 13.408 7.608 7.065
604 H GLY 75 H GLY 75 10.504 6.409 5.364
605 1HA GLY 75 1HA GLY 75 12.100 6.309 2.872
606 2HA GLY 75 2HA GLY 75 11.041 5.022 3.411
607 H GLU 76 H GLU 76 9.492 5.014 1.778
608 HA GLU 76 HA GLU 76 7.723 7.274 1.813
609 HB GLU 76 2HB GLU 76 8.076 8.050 -0.301
610 HB GLU 76 QB GLU 76 8.076 8.050 -0.301
611 HG GLU 76 2HG GLU 76 10.417 7.324 -1.248
612 HG GLU 76 QG GLU 76 10.417 7.324 -1.248
613 HE2 GLU 76 HE GLU 76 12.322 9.038 0.677
614 H MET 77 H MET 77 5.564 6.716 1.178
615 HA MET 77 HA MET 77 5.227 3.836 0.887
616 HB MET 77 2HB MET 77 3.145 5.895 1.788
617 HB MET 77 QB MET 77 3.145 5.895 1.788
618 HG MET 77 2HG MET 77 2.669 3.345 1.089
619 HG MET 77 QG MET 77 2.669 3.345 1.089
620 1HE MET 77 2HE MET 77 1.810 1.145 2.363
621 2HE MET 77 3HE MET 77 3.324 0.937 1.451
622 3HE MET 77 1HE MET 77 3.156 0.220 3.071
623 H VAL 78 H VAL 78 4.322 3.032 -0.973
624 HA VAL 78 HA VAL 78 2.830 4.924 -2.643
625 HB VAL 78 HB VAL 78 4.915 2.946 -3.589
626 1HG1 VAL 78 2HG1 VAL 78 2.967 4.747 -5.012
627 2HG1 VAL 78 3HG1 VAL 78 4.536 4.359 -5.758
628 3HG1 VAL 78 1HG1 VAL 78 3.400 3.052 -5.345
629 1HG2 VAL 78 3HG2 VAL 78 4.984 5.960 -3.284
630 2HG2 VAL 78 1HG2 VAL 78 6.083 4.753 -2.574
631 3HG2 VAL 78 2HG2 VAL 78 6.113 5.062 -4.327
632 H VAL 79 H VAL 79 1.299 3.844 -4.135
633 HA VAL 79 HA VAL 79 0.804 1.056 -3.751
634 HB VAL 79 HB VAL 79 -0.157 1.841 -1.697
635 1HG1 VAL 79 3HG1 VAL 79 -1.146 4.045 -3.400
636 2HG1 VAL 79 1HG1 VAL 79 -2.315 3.435 -2.204
637 3HG1 VAL 79 2HG1 VAL 79 -0.723 4.027 -1.671
638 1HG2 VAL 79 1HG2 VAL 79 -2.177 1.136 -3.839
639 2HG2 VAL 79 2HG2 VAL 79 -1.402 0.062 -2.650
640 3HG2 VAL 79 3HG2 VAL 79 -2.604 1.260 -2.115
641 H CYS 80 H CYS 80 -0.265 0.234 -5.529
642 HA CYS 80 HA CYS 80 -1.538 2.203 -7.273
643 HB CYS 80 2HB CYS 80 0.803 1.673 -8.059
644 HB CYS 80 QB CYS 80 0.803 1.673 -8.059
645 HG CYS 80 HG CYS 80 1.343 -0.526 -9.362
646 H ALA 81 H ALA 81 -2.389 0.418 -9.276
647 HA ALA 81 HA ALA 81 -3.831 -1.197 -9.761
648 1HB ALA 81 3HB ALA 81 -2.330 -2.285 -7.585
649 2HB ALA 81 1HB ALA 81 -4.039 -2.706 -7.323
650 3HB ALA 81 2HB ALA 81 -3.235 -3.158 -8.845
651 H ILE 82 H ILE 82 -4.792 1.268 -9.039
652 HA ILE 82 HA ILE 82 -6.746 0.981 -6.957
653 HB ILE 82 HB ILE 82 -5.424 3.073 -7.655
654 HG1 ILE 82 2HG1 ILE 82 -8.409 3.160 -7.133
655 HG1 ILE 82 QG1 ILE 82 -8.409 3.160 -7.133
656 1HG2 ILE 82 1HG2 ILE 82 -6.831 2.624 -10.066
657 2HG2 ILE 82 2HG2 ILE 82 -7.516 4.095 -9.334
658 3HG2 ILE 82 3HG2 ILE 82 -5.767 3.988 -9.645
659 1HD1 ILE 82 1HD1 ILE 82 -5.925 3.113 -5.369
660 2HD1 ILE 82 2HD1 ILE 82 -7.519 3.640 -4.778
661 3HD1 ILE 82 3HD1 ILE 82 -7.292 1.973 -5.358
662 H SER 83 H SER 83 -8.656 2.669 -8.752
663 HA SER 83 HA SER 83 -9.476 1.113 -10.858
664 HB SER 83 2HB SER 83 -11.634 0.554 -8.994
665 HB SER 83 QB SER 83 -11.634 0.554 -8.994
666 HG SER 83 HG SER 83 -10.606 -0.558 -11.113
667 HA PRO 84 HA PRO 84 -12.164 4.523 -11.151
668 HB PRO 84 2HB PRO 84 -12.711 4.062 -13.340
669 HB PRO 84 QB PRO 84 -12.711 4.062 -13.340
670 HG PRO 84 2HG PRO 84 -12.500 1.844 -13.937
671 HG PRO 84 QG PRO 84 -12.500 1.844 -13.937
672 HD PRO 84 2HD PRO 84 -10.961 1.145 -12.381
673 HD PRO 84 QD PRO 84 -10.961 1.145 -12.381
674 H ALA 85 H ALA 85 -13.235 1.768 -9.533
675 HA ALA 85 HA ALA 85 -15.323 3.415 -8.275
676 1HB ALA 85 1HB ALA 85 -15.310 0.523 -9.158
677 2HB ALA 85 2HB ALA 85 -16.360 1.061 -7.825
678 3HB ALA 85 3HB ALA 85 -16.538 1.781 -9.443
679 H VAL 86 H VAL 86 -12.391 3.111 -7.679
680 HA VAL 86 HA VAL 86 -12.754 2.239 -4.921
681 HB VAL 86 HB VAL 86 -11.033 0.991 -6.966
682 1HG1 VAL 86 2HG1 VAL 86 -9.345 2.229 -5.660
683 2HG1 VAL 86 3HG1 VAL 86 -9.964 1.484 -4.166
684 3HG1 VAL 86 1HG1 VAL 86 -9.212 0.470 -5.421
685 1HG2 VAL 86 2HG2 VAL 86 -12.962 0.154 -5.178
686 2HG2 VAL 86 3HG2 VAL 86 -11.823 -0.900 -6.050
687 3HG2 VAL 86 1HG2 VAL 86 -11.450 -0.363 -4.394
688 H LYS 87 H LYS 87 -11.024 4.040 -7.469
689 HA LYS 87 HA LYS 87 -9.247 5.342 -5.690
690 HB LYS 87 2HB LYS 87 -10.144 6.037 -8.502
691 HB LYS 87 QB LYS 87 -10.144 6.037 -8.502
692 HG LYS 87 2HG LYS 87 -8.325 7.354 -6.561
693 HG LYS 87 QG LYS 87 -8.325 7.354 -6.561
694 HD LYS 87 2HD LYS 87 -6.816 5.982 -8.225
695 HD LYS 87 QD LYS 87 -6.816 5.982 -8.225
696 HE LYS 87 2HE LYS 87 -8.342 6.863 -10.196
697 HE LYS 87 QE LYS 87 -8.342 6.863 -10.196
698 1HZ LYS 87 1HZ LYS 87 -8.261 9.115 -10.268
699 2HZ LYS 87 2HZ LYS 87 -6.913 9.236 -9.364
700 H ARG 88 H ARG 88 -12.625 5.538 -6.165
701 HA ARG 88 HA ARG 88 -12.886 8.312 -5.793
702 HB ARG 88 2HB ARG 88 -14.591 6.510 -6.731
703 HB ARG 88 QB ARG 88 -14.591 6.510 -6.731
704 HG ARG 88 2HG ARG 88 -16.341 6.042 -4.903
705 HG ARG 88 QG ARG 88 -16.341 6.042 -4.903
706 HD ARG 88 2HD ARG 88 -13.927 4.545 -4.017
707 HD ARG 88 QD ARG 88 -13.927 4.545 -4.017
708 HE ARG 88 HE ARG 88 -15.920 3.032 -5.382
709 1HH1 ARG 88 2HH2 ARG 88 -15.632 5.094 -2.517
710 2HH1 ARG 88 1HH2 ARG 88 -16.913 4.300 -1.663
711 HH2 ARG 88 1HH ARG 88 -18.062 2.474 -2.706
712 H LEU 89 H LEU 89 -12.214 5.594 -3.716
713 HA LEU 89 HA LEU 89 -13.406 6.559 -1.349
714 HB LEU 89 2HB LEU 89 -11.657 4.956 -0.328
715 HB LEU 89 QB LEU 89 -11.657 4.956 -0.328
716 HG LEU 89 HG LEU 89 -13.955 4.216 -2.070
717 1HD1 LEU 89 1HD1 LEU 89 -11.873 2.629 -2.460
718 2HD1 LEU 89 2HD1 LEU 89 -12.407 1.941 -0.907
719 3HD1 LEU 89 3HD1 LEU 89 -13.524 1.984 -2.293
720 1HD2 LEU 89 2HD2 LEU 89 -13.624 4.717 0.606
721 2HD2 LEU 89 3HD2 LEU 89 -14.990 3.838 -0.123
722 3HD2 LEU 89 1HD2 LEU 89 -13.609 2.938 0.551
723 H PHE 90 H PHE 90 -10.120 6.874 -2.814
724 HA PHE 90 HA PHE 90 -9.273 8.536 -0.618
725 HB PHE 90 2HB PHE 90 -7.138 8.454 -1.856
726 HB PHE 90 QB PHE 90 -7.138 8.454 -1.856
727 HD1 PHE 90 1HD PHE 90 -8.832 5.709 -3.621
728 HD2 PHE 90 2HD PHE 90 -6.583 6.812 -0.196
729 HE1 PHE 90 1HE PHE 90 -8.443 3.285 -3.097
730 HE2 PHE 90 2HE PHE 90 -6.194 4.388 0.328
731 HZ PHE 90 HZ PHE 90 -7.129 2.654 -1.128
732 H ASP 91 H ASP 91 -10.772 8.894 -3.767
733 HA ASP 91 HA ASP 91 -9.781 11.457 -4.310
734 HB ASP 91 2HB ASP 91 -12.468 10.947 -5.371
735 HB ASP 91 QB ASP 91 -12.468 10.947 -5.371
736 HD2 ASP 91 HD ASP 91 -12.271 12.405 -6.872
737 H MET 92 H MET 92 -12.538 10.074 -2.490
738 HA MET 92 HA MET 92 -13.712 12.679 -2.139
739 HB MET 92 2HB MET 92 -14.499 9.981 -0.910
740 HB MET 92 QB MET 92 -14.499 9.981 -0.910
741 HG MET 92 2HG MET 92 -15.553 12.096 0.046
742 HG MET 92 QG MET 92 -15.553 12.096 0.046
743 1HE MET 92 2HE MET 92 -17.954 11.079 -2.394
744 2HE MET 92 3HE MET 92 -18.817 12.568 -1.941
745 3HE MET 92 1HE MET 92 -18.171 12.380 -3.589
746 H SER 93 H SER 93 -11.704 10.314 -0.409
747 HA SER 93 HA SER 93 -12.158 11.318 2.151
748 HB SER 93 2HB SER 93 -9.720 9.871 1.021
749 HB SER 93 QB SER 93 -9.720 9.871 1.021
750 HG SER 93 HG SER 93 -10.362 9.317 3.637
751 H GLY 94 H GLY 94 -9.752 12.065 -0.431
752 1HA GLY 94 1HA GLY 94 -8.711 14.068 -0.798
753 2HA GLY 94 2HA GLY 94 -9.300 14.678 0.736
754 H LEU 95 H LEU 95 -8.184 11.735 1.654
755 HA LEU 95 HA LEU 95 -5.662 12.869 2.514
756 HB LEU 95 2HB LEU 95 -6.644 10.136 3.237
757 HB LEU 95 QB LEU 95 -6.644 10.136 3.237
758 HG LEU 95 HG LEU 95 -4.578 10.706 4.295
759 1HD1 LEU 95 3HD1 LEU 95 -5.885 13.355 4.948
760 2HD1 LEU 95 1HD1 LEU 95 -4.393 12.775 5.728
761 3HD1 LEU 95 2HD1 LEU 95 -4.429 13.053 3.970
762 1HD2 LEU 95 3HD2 LEU 95 -6.723 9.878 5.656
763 2HD2 LEU 95 1HD2 LEU 95 -5.140 10.152 6.422
764 3HD2 LEU 95 2HD2 LEU 95 -6.411 11.394 6.537
765 H PHE 96 H PHE 96 -6.499 11.794 -0.349
766 HA PHE 96 HA PHE 96 -5.044 9.521 -0.893
767 HB PHE 96 2HB PHE 96 -4.935 11.708 -2.921
768 HB PHE 96 QB PHE 96 -4.935 11.708 -2.921
769 HD1 PHE 96 1HD PHE 96 -4.701 8.469 -2.252
770 HD2 PHE 96 2HD PHE 96 -7.131 10.998 -4.639
771 HE1 PHE 96 1HE PHE 96 -5.177 6.551 -3.798
772 HE2 PHE 96 2HE PHE 96 -7.608 9.081 -6.187
773 HZ PHE 96 HZ PHE 96 -6.624 6.879 -5.747
774 H LYS 97 H LYS 97 -3.956 12.801 -0.191
775 HA LYS 97 HA LYS 97 -1.481 12.684 -1.500
776 HB LYS 97 2HB LYS 97 -0.901 14.595 -0.115
777 HB LYS 97 QB LYS 97 -0.901 14.595 -0.115
778 HG LYS 97 2HG LYS 97 -3.151 15.915 -0.419
779 HG LYS 97 QG LYS 97 -3.151 15.915 -0.419
780 HD LYS 97 2HD LYS 97 -2.743 14.987 -3.101
781 HD LYS 97 QD LYS 97 -2.743 14.987 -3.101
782 HE LYS 97 2HE LYS 97 -1.129 17.246 -1.917
783 HE LYS 97 QE LYS 97 -1.129 17.246 -1.917
784 1HZ LYS 97 1HZ LYS 97 -2.653 18.069 -4.020
785 2HZ LYS 97 2HZ LYS 97 -1.103 17.582 -4.136
786 H ILE 98 H ILE 98 -2.719 11.260 1.484
787 HA ILE 98 HA ILE 98 0.000 10.551 2.281
788 HB ILE 98 HB ILE 98 -0.718 10.706 4.355
789 HG1 ILE 98 2HG1 ILE 98 -2.728 8.715 3.415
790 HG1 ILE 98 QG1 ILE 98 -2.728 8.715 3.415
791 1HG2 ILE 98 2HG2 ILE 98 -1.941 12.612 3.377
792 2HG2 ILE 98 3HG2 ILE 98 -3.374 11.575 3.183
793 3HG2 ILE 98 1HG2 ILE 98 -2.753 11.940 4.811
794 1HD1 ILE 98 1HD1 ILE 98 -0.274 8.724 4.832
795 2HD1 ILE 98 2HD1 ILE 98 -1.523 8.362 6.047
796 3HD1 ILE 98 3HD1 ILE 98 -1.370 7.341 4.597
797 H ILE 99 H ILE 99 -1.913 9.482 -0.025
798 HA ILE 99 HA ILE 99 -1.448 6.666 0.669
799 HB ILE 99 HB ILE 99 -3.839 7.979 -0.583
800 HG1 ILE 99 2HG1 ILE 99 -5.063 6.642 1.044
801 HG1 ILE 99 QG1 ILE 99 -5.063 6.642 1.044
802 1HG2 ILE 99 3HG2 ILE 99 -2.681 5.332 -1.230
803 2HG2 ILE 99 1HG2 ILE 99 -4.424 5.360 -0.875
804 3HG2 ILE 99 2HG2 ILE 99 -3.764 6.382 -2.174
805 1HD1 ILE 99 2HD1 ILE 99 -2.702 5.068 1.096
806 2HD1 ILE 99 3HD1 ILE 99 -2.805 5.838 2.697
807 3HD1 ILE 99 1HD1 ILE 99 -4.159 4.852 2.095
808 H ARG 100 H ARG 100 -0.986 9.369 -1.466
809 HA ARG 100 HA ARG 100 -0.367 9.459 -3.606
810 HB ARG 100 2HB ARG 100 1.813 7.906 -2.140
811 HB ARG 100 QB ARG 100 1.813 7.906 -2.140
812 HG ARG 100 2HG ARG 100 1.646 8.695 -4.999
813 HG ARG 100 QG ARG 100 1.646 8.695 -4.999
814 HD ARG 100 2HD ARG 100 4.409 9.018 -4.114
815 HD ARG 100 QD ARG 100 4.409 9.018 -4.114
816 HE ARG 100 HE ARG 100 4.198 10.288 -6.050
817 1HH1 ARG 100 2HH2 ARG 100 1.206 10.647 -4.187
818 2HH1 ARG 100 1HH2 ARG 100 0.466 11.701 -5.343
819 HH2 ARG 100 1HH ARG 100 1.668 12.295 -7.329
820 H PHE 101 H PHE 101 -1.902 8.208 -4.836
821 HA PHE 101 HA PHE 101 -1.030 5.461 -5.391
822 HB PHE 101 2HB PHE 101 -3.751 6.415 -6.204
823 HB PHE 101 QB PHE 101 -3.751 6.415 -6.204
824 HD1 PHE 101 1HD PHE 101 -3.399 4.153 -7.329
825 HD2 PHE 101 2HD PHE 101 -3.630 4.620 -3.117
826 HE1 PHE 101 1HE PHE 101 -3.929 1.711 -7.086
827 HE2 PHE 101 2HE PHE 101 -4.160 2.179 -2.874
828 HZ PHE 101 HZ PHE 101 -4.304 0.754 -4.863
829 H GLU 102 H GLU 102 -1.773 4.715 -7.687
830 HA GLU 102 HA GLU 102 -1.817 6.870 -9.582
831 HB GLU 102 2HB GLU 102 0.254 4.833 -10.244
832 HB GLU 102 QB GLU 102 0.254 4.833 -10.244
833 HG GLU 102 2HG GLU 102 1.157 7.556 -10.365
834 HG GLU 102 QG GLU 102 1.157 7.556 -10.365
835 HE2 GLU 102 HE GLU 102 1.526 6.903 -13.787
836 H GLN 103 H GLN 103 -0.830 4.733 -11.641
837 HA GLN 103 HA GLN 103 -2.965 2.822 -11.457
838 HB GLN 103 2HB GLN 103 -3.874 3.382 -13.704
839 HB GLN 103 QB GLN 103 -3.874 3.382 -13.704
840 HG GLN 103 2HG GLN 103 -3.826 5.724 -11.743
841 HG GLN 103 QG GLN 103 -3.826 5.724 -11.743
842 1HE2 GLN 103 2HE2 GLN 103 -5.790 7.656 -13.810
843 2HE2 GLN 103 1HE2 GLN 103 -4.652 7.497 -12.515
844 H SER 104 H SER 104 -1.383 1.179 -11.387
845 HA SER 104 HA SER 104 0.182 -0.163 -12.082
846 HB SER 104 2HB SER 104 -1.143 0.547 -14.722
847 HB SER 104 QB SER 104 -1.143 0.547 -14.722
848 HG SER 104 HG SER 104 -0.009 -1.105 -15.718
849 H GLU 105 H GLU 105 0.128 2.438 -14.638
850 HA GLU 105 HA GLU 105 2.603 2.438 -15.475
851 HB GLU 105 2HB GLU 105 0.999 4.890 -14.636
852 HB GLU 105 QB GLU 105 0.999 4.890 -14.636
853 HG GLU 105 2HG GLU 105 3.708 4.661 -15.736
854 HG GLU 105 QG GLU 105 3.708 4.661 -15.736
855 HE2 GLU 105 HE GLU 105 3.954 6.960 -17.342
856 H GLN 106 H GLN 106 1.583 3.346 -12.194
857 HA GLN 106 HA GLN 106 3.979 4.599 -11.478
858 HB GLN 106 2HB GLN 106 1.601 3.474 -10.015
859 HB GLN 106 QB GLN 106 1.601 3.474 -10.015
860 HG GLN 106 2HG GLN 106 4.313 4.109 -8.824
861 HG GLN 106 QG GLN 106 4.313 4.109 -8.824
862 1HE2 GLN 106 2HE2 GLN 106 0.964 4.776 -6.459
863 2HE2 GLN 106 1HE2 GLN 106 1.000 3.526 -7.658
864 H GLN 107 H GLN 107 3.354 1.395 -12.331
865 HA GLN 107 HA GLN 107 4.398 -0.266 -10.601
866 HB GLN 107 2HB GLN 107 5.242 -0.132 -13.530
867 HB GLN 107 QB GLN 107 5.242 -0.132 -13.530
868 HG GLN 107 2HG GLN 107 5.613 -2.136 -11.364
869 HG GLN 107 QG GLN 107 5.613 -2.136 -11.364
870 1HE2 GLN 107 2HE2 GLN 107 4.999 -4.638 -14.382
871 2HE2 GLN 107 1HE2 GLN 107 6.373 -3.616 -14.119
872 H ALA 108 H ALA 108 6.169 2.354 -12.204
873 HA ALA 108 HA ALA 108 8.721 1.350 -11.264
874 1HB ALA 108 2HB ALA 108 8.053 2.657 -13.506
875 2HB ALA 108 3HB ALA 108 8.366 4.070 -12.471
876 3HB ALA 108 1HB ALA 108 9.645 2.862 -12.737
877 H LEU 109 H LEU 109 6.519 4.190 -10.759
878 HA LEU 109 HA LEU 109 8.093 5.313 -8.723
879 HB LEU 109 2HB LEU 109 5.363 6.027 -8.398
880 HB LEU 109 QB LEU 109 5.363 6.027 -8.398
881 HG LEU 109 HG LEU 109 7.685 7.395 -9.769
882 1HD1 LEU 109 3HD1 LEU 109 5.212 7.925 -10.586
883 2HD1 LEU 109 1HD1 LEU 109 5.210 8.925 -9.112
884 3HD1 LEU 109 2HD1 LEU 109 6.435 9.200 -10.374
885 1HD2 LEU 109 2HD2 LEU 109 7.473 7.019 -7.186
886 2HD2 LEU 109 3HD2 LEU 109 7.983 8.599 -7.829
887 3HD2 LEU 109 1HD2 LEU 109 6.304 8.358 -7.286
888 H LEU 110 H LEU 110 5.909 2.584 -8.842
889 HA LEU 110 HA LEU 110 4.986 2.553 -6.234
890 HB LEU 110 2HB LEU 110 5.744 0.079 -7.761
891 HB LEU 110 QB LEU 110 5.744 0.079 -7.761
892 HG LEU 110 HG LEU 110 4.551 -0.062 -5.505
893 1HD1 LEU 110 3HD1 LEU 110 2.844 1.826 -6.756
894 2HD1 LEU 110 1HD1 LEU 110 1.907 0.330 -6.531
895 3HD1 LEU 110 2HD1 LEU 110 2.701 1.101 -5.137
896 1HD2 LEU 110 2HD2 LEU 110 4.545 -1.714 -7.575
897 2HD2 LEU 110 3HD2 LEU 110 3.540 -2.009 -6.136
898 3HD2 LEU 110 1HD2 LEU 110 2.815 -1.297 -7.597
899 H THR 111 H THR 111 8.145 1.624 -7.634
900 HA THR 111 HA THR 111 9.155 0.240 -5.439
901 HB THR 111 HB THR 111 10.049 1.367 -7.977
902 HG1 THR 111 1HG THR 111 9.985 -0.895 -6.998
903 1HG2 THR 111 3HG2 THR 111 11.990 1.518 -5.609
904 2HG2 THR 111 1HG2 THR 111 12.456 1.619 -7.324
905 3HG2 THR 111 2HG2 THR 111 11.455 2.898 -6.598
906 H LEU 112 H LEU 112 8.041 3.424 -5.526
907 HA LEU 112 HA LEU 112 7.968 4.634 -3.543
908 HB LEU 112 2HB LEU 112 9.536 2.835 -2.534
909 HB LEU 112 QB LEU 112 9.536 2.835 -2.534
910 HG LEU 112 HG LEU 112 11.748 3.089 -2.494
911 1HD1 LEU 112 3HD1 LEU 112 10.897 3.910 -4.948
912 2HD1 LEU 112 1HD1 LEU 112 11.934 5.274 -4.463
913 3HD1 LEU 112 2HD1 LEU 112 12.597 3.622 -4.501
914 1HD2 LEU 112 1HD2 LEU 112 11.397 5.021 -0.928
915 2HD2 LEU 112 2HD2 LEU 112 12.906 5.076 -1.871
916 3HD2 LEU 112 3HD2 LEU 112 11.528 6.102 -2.336
917 H GLY 113 H GLY 113 8.915 4.912 -6.445
918 1HA GLY 113 1HA GLY 113 9.876 6.459 -7.777
919 2HA GLY 113 2HA GLY 113 9.280 7.599 -6.587
920 H VAL 114 H VAL 114 11.899 5.077 -6.464
921 HA VAL 114 HA VAL 114 14.033 6.815 -6.657
922 HB VAL 114 HB VAL 114 12.760 6.709 -3.992
923 1HG1 VAL 114 2HG1 VAL 114 15.656 6.087 -4.414
924 2HG1 VAL 114 3HG1 VAL 114 15.215 7.173 -3.074
925 3HG1 VAL 114 1HG1 VAL 114 14.536 5.530 -3.147
926 1HG2 VAL 114 2HG2 VAL 114 13.813 8.649 -5.821
927 2HG2 VAL 114 3HG2 VAL 114 12.899 8.910 -4.316
928 3HG2 VAL 114 1HG2 VAL 114 14.675 8.797 -4.271
929 H ALA 115 H ALA 115 14.292 4.785 -7.954
930 HA ALA 115 HA ALA 115 16.241 3.184 -7.082
931 1HB ALA 115 3HB ALA 115 13.739 2.481 -5.737
932 2HB ALA 115 1HB ALA 115 14.409 1.110 -6.654
933 3HB ALA 115 2HB ALA 115 15.399 1.921 -5.416
934 H SER 116 H SER 116 16.768 3.284 -9.273
935 HA SER 116 HA SER 116 16.829 2.621 -11.338
936 HB SER 116 2HB SER 116 14.622 0.636 -11.265
937 HB SER 116 QB SER 116 14.622 0.636 -11.265
938 HG SER 116 HG SER 116 16.836 0.942 -12.617
No H/Q in entry = 795
Start of MODEL 5
1 H SER 1 H SER 1 -10.643 -17.248 -1.205
2 HA SER 1 HA SER 1 -11.786 -15.219 -0.212
3 HB SER 1 2HB SER 1 -10.608 -15.776 2.106
4 HB SER 1 QB SER 1 -10.608 -15.776 2.106
5 HG SER 1 HG SER 1 -12.574 -16.731 1.878
6 H LEU 2 H LEU 2 -8.345 -15.238 -0.926
7 HA LEU 2 HA LEU 2 -7.868 -12.681 -1.184
8 HB LEU 2 2HB LEU 2 -8.265 -13.207 1.710
9 HB LEU 2 QB LEU 2 -8.265 -13.207 1.710
10 HG LEU 2 HG LEU 2 -6.198 -11.255 0.666
11 1HD1 LEU 2 1HD1 LEU 2 -8.118 -10.681 2.573
12 2HD1 LEU 2 2HD1 LEU 2 -6.711 -11.187 3.539
13 3HD1 LEU 2 3HD1 LEU 2 -6.553 -9.858 2.365
14 1HD2 LEU 2 1HD2 LEU 2 -6.099 -13.753 2.257
15 2HD2 LEU 2 2HD2 LEU 2 -4.890 -13.022 1.174
16 3HD2 LEU 2 3HD2 LEU 2 -5.084 -12.410 2.835
17 H GLY 3 H GLY 3 -5.684 -12.322 -1.633
18 1HA GLY 3 1HA GLY 3 -3.935 -14.637 -1.065
19 2HA GLY 3 2HA GLY 3 -3.848 -13.624 -2.493
20 H ILE 4 H ILE 4 -1.488 -13.534 -1.699
21 HA ILE 4 HA ILE 4 -0.961 -11.009 -0.704
22 HB ILE 4 HB ILE 4 -1.836 -12.459 1.373
23 HG1 ILE 4 2HG1 ILE 4 -0.265 -10.887 2.759
24 HG1 ILE 4 QG1 ILE 4 -0.265 -10.887 2.759
25 1HG2 ILE 4 1HG2 ILE 4 1.150 -12.955 1.269
26 2HG2 ILE 4 2HG2 ILE 4 0.136 -13.167 2.717
27 3HG2 ILE 4 3HG2 ILE 4 -0.151 -14.169 1.273
28 1HD1 ILE 4 2HD1 ILE 4 1.270 -10.581 0.697
29 2HD1 ILE 4 3HD1 ILE 4 -0.042 -9.587 0.020
30 3HD1 ILE 4 1HD1 ILE 4 0.749 -9.101 1.538
31 H ASP 5 H ASP 5 1.149 -10.482 -1.205
32 HA ASP 5 HA ASP 5 2.990 -12.677 -1.544
33 HB ASP 5 2HB ASP 5 3.209 -10.735 -3.745
34 HB ASP 5 QB ASP 5 3.209 -10.735 -3.745
35 HD2 ASP 5 HD ASP 5 3.367 -13.744 -5.773
36 H MET 6 H MET 6 5.214 -11.955 -1.284
37 HA MET 6 HA MET 6 5.508 -9.094 -0.830
38 HB MET 6 2HB MET 6 7.184 -9.933 1.057
39 HB MET 6 QB MET 6 7.184 -9.933 1.057
40 HG MET 6 2HG MET 6 4.147 -10.118 1.336
41 HG MET 6 QG MET 6 4.147 -10.118 1.336
42 1HE MET 6 1HE MET 6 3.018 -10.068 3.179
43 2HE MET 6 2HE MET 6 3.473 -11.646 3.865
44 3HE MET 6 3HE MET 6 3.538 -10.183 4.877
45 H ASN 7 H ASN 7 7.360 -8.192 -1.715
46 HA ASN 7 HA ASN 7 9.407 -10.068 -2.564
47 HB ASN 7 2HB ASN 7 9.213 -7.911 -4.492
48 HB ASN 7 QB ASN 7 9.213 -7.911 -4.492
49 1HD2 ASN 7 2HD2 ASN 7 10.695 -10.649 -6.084
50 2HD2 ASN 7 1HD2 ASN 7 10.906 -9.132 -5.276
51 H VAL 8 H VAL 8 11.496 -8.760 -3.186
52 HA VAL 8 HA VAL 8 11.583 -6.210 -1.743
53 HB VAL 8 HB VAL 8 12.745 -8.669 -0.936
54 1HG1 VAL 8 2HG1 VAL 8 14.577 -8.108 -2.533
55 2HG1 VAL 8 3HG1 VAL 8 14.855 -6.598 -1.630
56 3HG1 VAL 8 1HG1 VAL 8 15.110 -8.170 -0.836
57 1HG2 VAL 8 2HG2 VAL 8 12.677 -5.830 0.021
58 2HG2 VAL 8 3HG2 VAL 8 12.046 -7.310 0.783
59 3HG2 VAL 8 1HG2 VAL 8 13.794 -6.973 0.807
60 H LYS 9 H LYS 9 12.973 -4.645 -2.647
61 HA LYS 9 HA LYS 9 14.581 -5.430 -4.921
62 HB LYS 9 2HB LYS 9 13.354 -4.534 -6.570
63 HB LYS 9 QB LYS 9 13.354 -4.534 -6.570
64 HG LYS 9 2HG LYS 9 10.824 -4.200 -5.851
65 HG LYS 9 QG LYS 9 10.824 -4.200 -5.851
66 HD LYS 9 2HD LYS 9 11.138 -6.938 -5.207
67 HD LYS 9 QD LYS 9 11.138 -6.938 -5.207
68 HE LYS 9 2HE LYS 9 11.151 -6.130 -8.094
69 HE LYS 9 QE LYS 9 11.151 -6.130 -8.094
70 1HZ LYS 9 1HZ LYS 9 9.762 -8.010 -6.340
71 2HZ LYS 9 2HZ LYS 9 8.933 -7.489 -7.641
72 H GLU 10 H GLU 10 16.497 -4.694 -4.126
73 HA GLU 10 HA GLU 10 18.024 -3.310 -3.447
74 HB GLU 10 2HB GLU 10 16.021 -1.317 -4.525
75 HB GLU 10 QB GLU 10 16.021 -1.317 -4.525
76 HG GLU 10 2HG GLU 10 18.338 -0.770 -2.733
77 HG GLU 10 QG GLU 10 18.338 -0.770 -2.733
78 HE2 GLU 10 HE GLU 10 18.795 2.300 -4.356
79 H SER 11 H SER 11 14.746 -2.896 -2.193
80 HA SER 11 HA SER 11 15.312 -3.170 0.373
81 HB SER 11 2HB SER 11 16.490 -1.369 1.068
82 HB SER 11 QB SER 11 16.490 -1.369 1.068
83 HG SER 11 HG SER 11 16.050 0.621 -0.711
84 H VAL 12 H VAL 12 13.396 -2.394 -2.224
85 HA VAL 12 HA VAL 12 11.151 -1.411 -0.652
86 HB VAL 12 HB VAL 12 11.783 -0.376 -2.818
87 1HG1 VAL 12 2HG1 VAL 12 12.048 -2.995 -3.707
88 2HG1 VAL 12 3HG1 VAL 12 10.548 -2.436 -4.487
89 3HG1 VAL 12 1HG1 VAL 12 12.063 -1.530 -4.718
90 1HG2 VAL 12 1HG2 VAL 12 9.479 -0.253 -1.886
91 2HG2 VAL 12 2HG2 VAL 12 9.521 -0.173 -3.664
92 3HG2 VAL 12 3HG2 VAL 12 9.042 -1.683 -2.851
93 H LEU 13 H LEU 13 9.726 -2.800 0.248
94 HA LEU 13 HA LEU 13 9.791 -5.560 -0.682
95 HB LEU 13 2HB LEU 13 9.568 -6.073 1.443
96 HB LEU 13 QB LEU 13 9.568 -6.073 1.443
97 HG LEU 13 HG LEU 13 9.876 -4.568 3.206
98 1HD1 LEU 13 1HD1 LEU 13 11.474 -4.392 0.947
99 2HD1 LEU 13 2HD1 LEU 13 11.176 -2.694 1.390
100 3HD1 LEU 13 3HD1 LEU 13 11.877 -3.814 2.582
101 1HD2 LEU 13 3HD2 LEU 13 8.292 -2.695 1.523
102 2HD2 LEU 13 1HD2 LEU 13 8.221 -3.017 3.272
103 3HD2 LEU 13 2HD2 LEU 13 9.513 -1.988 2.607
104 H CYS 14 H CYS 14 8.499 -5.919 -2.421
105 HA CYS 14 HA CYS 14 6.174 -4.351 -2.852
106 HB CYS 14 2HB CYS 14 6.061 -5.348 -4.917
107 HB CYS 14 QB CYS 14 6.061 -5.348 -4.917
108 HG CYS 14 HG CYS 14 8.180 -5.049 -5.967
109 H ILE 15 H ILE 15 4.058 -4.816 -2.244
110 HA ILE 15 HA ILE 15 3.641 -7.435 -0.975
111 HB ILE 15 HB ILE 15 3.000 -4.678 -0.086
112 HG1 ILE 15 2HG1 ILE 15 3.539 -7.221 1.469
113 HG1 ILE 15 QG1 ILE 15 3.539 -7.221 1.469
114 1HG2 ILE 15 3HG2 ILE 15 1.093 -6.989 0.117
115 2HG2 ILE 15 1HG2 ILE 15 1.194 -5.787 1.426
116 3HG2 ILE 15 2HG2 ILE 15 0.770 -5.273 -0.224
117 1HD1 ILE 15 3HD1 ILE 15 5.339 -5.286 0.059
118 2HD1 ILE 15 1HD1 ILE 15 5.800 -5.742 1.717
119 3HD1 ILE 15 2HD1 ILE 15 5.607 -6.997 0.468
120 H ARG 16 H ARG 16 2.846 -8.466 -2.835
121 HA ARG 16 HA ARG 16 0.675 -7.142 -4.184
122 HB ARG 16 2HB ARG 16 1.124 -9.804 -5.203
123 HB ARG 16 QB ARG 16 1.124 -9.804 -5.203
124 HG ARG 16 2HG ARG 16 1.096 -7.047 -6.114
125 HG ARG 16 QG ARG 16 1.096 -7.047 -6.114
126 HD ARG 16 2HD ARG 16 3.343 -8.817 -7.196
127 HD ARG 16 QD ARG 16 3.343 -8.817 -7.196
128 HE ARG 16 HE ARG 16 1.813 -6.752 -8.533
129 1HH1 ARG 16 2HH2 ARG 16 5.112 -7.989 -8.159
130 2HH1 ARG 16 1HH2 ARG 16 5.645 -7.388 -9.693
131 HH2 ARG 16 1HH ARG 16 4.100 -6.196 -11.087
132 H LEU 17 H LEU 17 -1.338 -7.398 -3.248
133 HA LEU 17 HA LEU 17 -1.922 -10.034 -2.090
134 HB LEU 17 2HB LEU 17 -1.933 -7.612 -0.830
135 HB LEU 17 QB LEU 17 -1.933 -7.612 -0.830
136 HG LEU 17 HG LEU 17 -4.189 -7.236 -2.203
137 1HD1 LEU 17 2HD1 LEU 17 -4.825 -9.466 -0.491
138 2HD1 LEU 17 3HD1 LEU 17 -5.825 -8.057 -0.064
139 3HD1 LEU 17 1HD1 LEU 17 -5.817 -8.669 -1.736
140 1HD2 LEU 17 2HD2 LEU 17 -3.036 -6.216 0.152
141 2HD2 LEU 17 3HD2 LEU 17 -4.270 -5.457 -0.881
142 3HD2 LEU 17 1HD2 LEU 17 -4.764 -6.451 0.511
143 H THR 18 H THR 18 -3.704 -11.161 -2.818
144 HA THR 18 HA THR 18 -5.374 -9.781 -4.810
145 HB THR 18 HB THR 18 -5.317 -12.195 -5.908
146 HG1 THR 18 1HG THR 18 -3.299 -13.249 -5.297
147 1HG2 THR 18 3HG2 THR 18 -4.097 -10.000 -6.729
148 2HG2 THR 18 1HG2 THR 18 -2.649 -10.734 -5.997
149 3HG2 THR 18 2HG2 THR 18 -3.500 -11.571 -7.317
150 H GLY 19 H GLY 19 -7.390 -9.632 -4.074
151 1HA GLY 19 1HA GLY 19 -9.058 -11.696 -3.516
152 2HA GLY 19 2HA GLY 19 -8.307 -11.369 -1.967
153 H GLU 20 H GLU 20 -9.351 -9.919 -0.680
154 HA GLU 20 HA GLU 20 -10.868 -7.847 -2.063
155 HB GLU 20 2HB GLU 20 -12.125 -8.213 0.423
156 HB GLU 20 QB GLU 20 -12.125 -8.213 0.423
157 HG GLU 20 2HG GLU 20 -12.991 -9.603 -2.140
158 HG GLU 20 QG GLU 20 -12.991 -9.603 -2.140
159 HE2 GLU 20 HE GLU 20 -15.261 -9.069 -2.352
160 H LEU 21 H LEU 21 -11.277 -5.866 -0.619
161 HA LEU 21 HA LEU 21 -8.997 -5.513 1.201
162 HB LEU 21 2HB LEU 21 -10.078 -3.725 -0.954
163 HB LEU 21 QB LEU 21 -10.078 -3.725 -0.954
164 HG LEU 21 HG LEU 21 -8.012 -2.304 0.190
165 1HD1 LEU 21 1HD1 LEU 21 -10.186 -1.548 -0.885
166 2HD1 LEU 21 2HD1 LEU 21 -10.925 -1.715 0.726
167 3HD1 LEU 21 3HD1 LEU 21 -9.585 -0.571 0.475
168 1HD2 LEU 21 1HD2 LEU 21 -8.612 -3.902 2.239
169 2HD2 LEU 21 2HD2 LEU 21 -8.121 -2.205 2.457
170 3HD2 LEU 21 3HD2 LEU 21 -9.844 -2.647 2.512
171 H ASP 22 H ASP 22 -10.420 -6.242 2.933
172 HA ASP 22 HA ASP 22 -12.127 -4.050 3.759
173 HB ASP 22 2HB ASP 22 -13.412 -6.081 2.721
174 HB ASP 22 QB ASP 22 -13.412 -6.081 2.721
175 HD1 ASP 22 HD ASP 22 -13.174 -9.043 3.599
176 H HIS 23 H HIS 23 -12.803 -4.582 6.245
177 HA HIS 23 HA HIS 23 -10.587 -4.549 7.774
178 HB HIS 23 2HB HIS 23 -13.083 -4.128 8.333
179 HB HIS 23 QB HIS 23 -13.083 -4.128 8.333
180 HD1 HIS 23 1HD HIS 23 -12.824 -6.541 10.993
181 HD2 HIS 23 2HD HIS 23 -14.543 -6.524 7.166
182 HE1 HIS 23 1HE HIS 23 -14.525 -8.444 10.964
183 H HIS 24 H HIS 24 -12.224 -7.370 6.369
184 HA HIS 24 HA HIS 24 -10.885 -9.253 8.013
185 HB HIS 24 2HB HIS 24 -11.681 -10.811 6.078
186 HB HIS 24 QB HIS 24 -11.681 -10.811 6.078
187 HD1 HIS 24 1HD HIS 24 -12.290 -11.531 8.672
188 HD2 HIS 24 2HD HIS 24 -14.978 -8.988 6.697
189 HE1 HIS 24 1HE HIS 24 -14.483 -11.661 9.970
190 H THR 25 H THR 25 -10.453 -8.064 4.613
191 HA THR 25 HA THR 25 -8.033 -9.578 4.304
192 HB THR 25 HB THR 25 -8.179 -8.817 2.064
193 HG1 THR 25 1HG THR 25 -8.082 -6.545 2.560
194 1HG2 THR 25 1HG2 THR 25 -10.685 -9.417 3.321
195 2HG2 THR 25 2HG2 THR 25 -10.966 -8.010 2.269
196 3HG2 THR 25 3HG2 THR 25 -10.300 -9.514 1.586
197 H ALA 26 H ALA 26 -8.940 -6.303 5.333
198 HA ALA 26 HA ALA 26 -6.450 -5.102 4.951
199 1HB ALA 26 2HB ALA 26 -9.007 -4.522 6.179
200 2HB ALA 26 3HB ALA 26 -7.688 -3.982 7.244
201 3HB ALA 26 1HB ALA 26 -7.773 -3.394 5.567
202 H GLU 27 H GLU 27 -7.613 -7.478 7.266
203 HA GLU 27 HA GLU 27 -5.970 -6.953 9.385
204 HB GLU 27 2HB GLU 27 -6.325 -9.833 8.750
205 HB GLU 27 QB GLU 27 -6.325 -9.833 8.750
206 HG GLU 27 2HG GLU 27 -5.974 -8.403 11.037
207 HG GLU 27 QG GLU 27 -5.974 -8.403 11.037
208 HE2 GLU 27 HE GLU 27 -8.538 -7.198 12.644
209 H THR 28 H THR 28 -5.367 -9.170 6.564
210 HA THR 28 HA THR 28 -2.882 -10.066 7.203
211 HB THR 28 HB THR 28 -4.611 -10.100 5.003
212 HG1 THR 28 1HG THR 28 -1.839 -10.918 5.491
213 1HG2 THR 28 2HG2 THR 28 -1.895 -8.922 4.208
214 2HG2 THR 28 3HG2 THR 28 -3.075 -9.629 3.078
215 3HG2 THR 28 1HG2 THR 28 -3.474 -8.137 3.963
216 H LEU 29 H LEU 29 -3.678 -6.910 5.633
217 HA LEU 29 HA LEU 29 -0.946 -6.159 5.481
218 HB LEU 29 2HB LEU 29 -3.059 -4.089 5.475
219 HB LEU 29 QB LEU 29 -3.059 -4.089 5.475
220 HG LEU 29 HG LEU 29 -1.000 -3.352 4.589
221 1HD1 LEU 29 3HD1 LEU 29 -0.798 -6.101 3.576
222 2HD1 LEU 29 1HD1 LEU 29 -0.238 -4.859 2.429
223 3HD1 LEU 29 2HD1 LEU 29 0.473 -4.951 4.059
224 1HD2 LEU 29 3HD2 LEU 29 -3.308 -3.413 3.037
225 2HD2 LEU 29 1HD2 LEU 29 -1.897 -2.353 2.815
226 3HD2 LEU 29 2HD2 LEU 29 -2.010 -3.884 1.914
227 H LYS 30 H LYS 30 -3.431 -6.108 7.968
228 HA LYS 30 HA LYS 30 -2.539 -3.998 9.513
229 HB LYS 30 2HB LYS 30 -3.603 -6.531 10.736
230 HB LYS 30 QB LYS 30 -3.603 -6.531 10.736
231 HG LYS 30 2HG LYS 30 -5.102 -4.548 11.721
232 HG LYS 30 QG LYS 30 -5.102 -4.548 11.721
233 HD LYS 30 2HD LYS 30 -2.605 -5.809 12.521
234 HD LYS 30 QD LYS 30 -2.605 -5.809 12.521
235 HE LYS 30 2HE LYS 30 -3.023 -2.897 13.335
236 HE LYS 30 QE LYS 30 -3.023 -2.897 13.335
237 1HZ LYS 30 1HZ LYS 30 -2.058 -3.405 15.284
238 2HZ LYS 30 2HZ LYS 30 -2.194 -4.994 14.958
239 H GLN 31 H GLN 31 -1.439 -7.430 9.361
240 HA GLN 31 HA GLN 31 0.443 -7.000 11.439
241 HB GLN 31 2HB GLN 31 -0.461 -9.218 11.191
242 HB GLN 31 QB GLN 31 -0.461 -9.218 11.191
243 HG GLN 31 2HG GLN 31 0.485 -8.957 8.307
244 HG GLN 31 QG GLN 31 0.485 -8.957 8.307
245 1HE2 GLN 31 2HE2 GLN 31 -0.779 -12.673 8.465
246 2HE2 GLN 31 1HE2 GLN 31 -1.698 -11.218 8.276
247 H LYS 32 H LYS 32 0.310 -6.392 8.023
248 HA LYS 32 HA LYS 32 3.106 -6.661 7.533
249 HB LYS 32 2HB LYS 32 0.900 -5.308 5.951
250 HB LYS 32 QB LYS 32 0.900 -5.308 5.951
251 HG LYS 32 2HG LYS 32 3.164 -4.477 5.325
252 HG LYS 32 QG LYS 32 3.164 -4.477 5.325
253 HD LYS 32 2HD LYS 32 3.758 -7.454 4.994
254 HD LYS 32 QD LYS 32 3.758 -7.454 4.994
255 HE LYS 32 2HE LYS 32 4.886 -5.056 3.669
256 HE LYS 32 QE LYS 32 4.886 -5.056 3.669
257 1HZ LYS 32 1HZ LYS 32 6.469 -6.109 5.631
258 2HZ LYS 32 2HZ LYS 32 6.992 -6.896 4.304
259 H VAL 33 H VAL 33 0.914 -4.153 8.748
260 HA VAL 33 HA VAL 33 2.601 -1.960 8.271
261 HB VAL 33 HB VAL 33 0.679 -2.190 10.571
262 1HG1 VAL 33 1HG1 VAL 33 2.183 -0.093 9.558
263 2HG1 VAL 33 2HG1 VAL 33 0.575 0.169 8.840
264 3HG1 VAL 33 3HG1 VAL 33 0.752 0.051 10.607
265 1HG2 VAL 33 3HG2 VAL 33 0.088 -2.419 7.667
266 2HG2 VAL 33 1HG2 VAL 33 -0.815 -3.024 9.076
267 3HG2 VAL 33 2HG2 VAL 33 -0.946 -1.314 8.603
268 H THR 34 H THR 34 2.019 -3.916 11.285
269 HA THR 34 HA THR 34 3.837 -2.736 12.923
270 HB THR 34 HB THR 34 2.712 -4.401 14.055
271 HG1 THR 34 1HG THR 34 4.718 -5.341 14.417
272 1HG2 THR 34 2HG2 THR 34 2.530 -5.597 11.316
273 2HG2 THR 34 3HG2 THR 34 2.572 -6.769 12.656
274 3HG2 THR 34 1HG2 THR 34 1.301 -5.525 12.602
275 H GLN 35 H GLN 35 4.493 -4.818 10.123
276 HA GLN 35 HA GLN 35 7.135 -5.377 10.820
277 HB GLN 35 2HB GLN 35 7.339 -6.274 8.626
278 HB GLN 35 QB GLN 35 7.339 -6.274 8.626
279 HG GLN 35 2HG GLN 35 5.302 -7.534 8.283
280 HG GLN 35 QG GLN 35 5.302 -7.534 8.283
281 1HE2 GLN 35 2HE2 GLN 35 4.897 -7.281 12.359
282 2HE2 GLN 35 1HE2 GLN 35 4.292 -6.079 11.268
283 H SER 36 H SER 36 5.572 -2.732 8.937
284 HA SER 36 HA SER 36 8.064 -1.603 8.214
285 HB SER 36 2HB SER 36 5.544 0.035 8.207
286 HB SER 36 QB SER 36 5.544 0.035 8.207
287 HG SER 36 HG SER 36 6.435 0.099 5.841
288 H LEU 37 H LEU 37 5.843 -1.415 10.947
289 HA LEU 37 HA LEU 37 6.254 1.060 11.963
290 HB LEU 37 2HB LEU 37 6.429 -0.778 14.121
291 HB LEU 37 QB LEU 37 6.429 -0.778 14.121
292 HG LEU 37 HG LEU 37 3.904 0.400 12.935
293 1HD1 LEU 37 1HD1 LEU 37 4.310 -1.381 15.071
294 2HD1 LEU 37 2HD1 LEU 37 3.981 0.204 15.812
295 3HD1 LEU 37 3HD1 LEU 37 2.823 -0.494 14.654
296 1HD2 LEU 37 2HD2 LEU 37 6.034 1.648 14.650
297 2HD2 LEU 37 3HD2 LEU 37 5.187 2.307 13.229
298 3HD2 LEU 37 1HD2 LEU 37 4.337 2.168 14.787
299 H GLU 38 H GLU 38 8.510 -1.732 11.980
300 HA GLU 38 HA GLU 38 10.683 0.036 12.243
301 HB GLU 38 2HB GLU 38 11.273 -1.597 14.450
302 HB GLU 38 QB GLU 38 11.273 -1.597 14.450
303 HG GLU 38 2HG GLU 38 10.470 0.724 15.637
304 HG GLU 38 QG GLU 38 10.470 0.724 15.637
305 HE1 GLU 38 HE GLU 38 13.296 0.658 16.451
306 H LYS 39 H LYS 39 10.930 -1.187 10.179
307 HA LYS 39 HA LYS 39 11.320 -3.990 10.256
308 HB LYS 39 2HB LYS 39 12.467 -2.319 8.064
309 HB LYS 39 QB LYS 39 12.467 -2.319 8.064
310 HG LYS 39 2HG LYS 39 10.430 -4.517 7.767
311 HG LYS 39 QG LYS 39 10.430 -4.517 7.767
312 HD LYS 39 2HD LYS 39 11.628 -3.204 5.862
313 HD LYS 39 QD LYS 39 11.628 -3.204 5.862
314 HE LYS 39 2HE LYS 39 13.908 -4.367 7.277
315 HE LYS 39 QE LYS 39 13.908 -4.367 7.277
316 1HZ LYS 39 1HZ LYS 39 14.146 -6.090 5.799
317 2HZ LYS 39 2HZ LYS 39 13.304 -5.378 4.601
318 H ASP 40 H ASP 40 13.560 -1.143 10.093
319 HA ASP 40 HA ASP 40 15.373 -2.006 11.827
320 HB ASP 40 2HB ASP 40 17.139 -2.801 9.879
321 HB ASP 40 QB ASP 40 17.139 -2.801 9.879
322 HD2 ASP 40 HD ASP 40 16.098 -6.236 11.145
323 H ASP 41 H ASP 41 16.569 -1.619 8.470
324 HA ASP 41 HA ASP 41 17.735 0.862 9.152
325 HB ASP 41 2HB ASP 41 17.476 -0.591 6.477
326 HB ASP 41 QB ASP 41 17.476 -0.591 6.477
327 HD2 ASP 41 HD ASP 41 19.879 1.301 4.976
328 H ILE 42 H ILE 42 16.708 0.893 5.866
329 HA ILE 42 HA ILE 42 14.176 2.192 6.371
330 HB ILE 42 HB ILE 42 16.660 3.649 5.731
331 HG1 ILE 42 2HG1 ILE 42 15.415 5.483 6.830
332 HG1 ILE 42 QG1 ILE 42 15.415 5.483 6.830
333 1HG2 ILE 42 2HG2 ILE 42 14.196 3.890 4.064
334 2HG2 ILE 42 3HG2 ILE 42 15.053 5.379 4.528
335 3HG2 ILE 42 1HG2 ILE 42 15.907 4.105 3.625
336 1HD1 ILE 42 2HD1 ILE 42 13.166 3.683 6.314
337 2HD1 ILE 42 3HD1 ILE 42 13.288 4.086 8.045
338 3HD1 ILE 42 1HD1 ILE 42 13.151 5.385 6.836
339 H ARG 43 H ARG 43 13.427 0.282 5.247
340 HA ARG 43 HA ARG 43 14.410 -0.129 2.608
341 HB ARG 43 2HB ARG 43 12.123 -1.683 2.803
342 HB ARG 43 QB ARG 43 12.123 -1.683 2.803
343 HG ARG 43 2HG ARG 43 14.080 -2.862 2.299
344 HG ARG 43 QG ARG 43 14.080 -2.862 2.299
345 HD ARG 43 2HD ARG 43 15.270 -1.126 4.432
346 HD ARG 43 QD ARG 43 15.270 -1.126 4.432
347 HE ARG 43 HE ARG 43 16.158 -3.109 5.387
348 1HH1 ARG 43 2HH2 ARG 43 16.599 -3.117 1.872
349 2HH1 ARG 43 1HH2 ARG 43 17.708 -4.447 1.890
350 HH2 ARG 43 1HH ARG 43 18.295 -5.458 3.981
351 H HIS 44 H HIS 44 12.015 -0.832 1.210
352 HA HIS 44 HA HIS 44 10.476 1.649 1.241
353 HB HIS 44 2HB HIS 44 10.505 1.549 -1.293
354 HB HIS 44 QB HIS 44 10.505 1.549 -1.293
355 HD1 HIS 44 1HD HIS 44 11.371 3.607 0.850
356 HD2 HIS 44 2HD HIS 44 13.992 1.842 -1.907
357 HE1 HIS 44 1HE HIS 44 13.360 5.192 0.640
358 H ILE 45 H ILE 45 8.315 1.422 0.234
359 HA ILE 45 HA ILE 45 7.400 -1.350 0.494
360 HB ILE 45 HB ILE 45 5.166 -0.293 0.832
361 HG1 ILE 45 2HG1 ILE 45 6.405 2.318 1.502
362 HG1 ILE 45 QG1 ILE 45 6.405 2.318 1.502
363 1HG2 ILE 45 2HG2 ILE 45 7.406 0.347 2.766
364 2HG2 ILE 45 3HG2 ILE 45 5.675 0.483 3.158
365 3HG2 ILE 45 1HG2 ILE 45 6.370 -1.099 2.733
366 1HD1 ILE 45 2HD1 ILE 45 7.357 1.802 -0.771
367 2HD1 ILE 45 3HD1 ILE 45 5.699 1.546 -1.366
368 3HD1 ILE 45 1HD1 ILE 45 6.200 3.154 -0.791
369 H VAL 46 H VAL 46 5.614 -2.022 -1.007
370 HA VAL 46 HA VAL 46 5.350 -0.526 -3.436
371 HB VAL 46 HB VAL 46 7.247 -2.779 -3.191
372 1HG1 VAL 46 2HG1 VAL 46 5.389 -3.847 -4.426
373 2HG1 VAL 46 3HG1 VAL 46 5.451 -2.536 -5.628
374 3HG1 VAL 46 1HG1 VAL 46 6.838 -3.635 -5.437
375 1HG2 VAL 46 1HG2 VAL 46 7.636 -0.275 -3.843
376 2HG2 VAL 46 2HG2 VAL 46 8.515 -1.561 -4.703
377 3HG2 VAL 46 3HG2 VAL 46 7.090 -0.802 -5.452
378 H LEU 47 H LEU 47 3.136 -0.590 -2.699
379 HA LEU 47 HA LEU 47 1.924 -3.195 -2.417
380 HB LEU 47 2HB LEU 47 -0.126 -1.851 -1.991
381 HB LEU 47 QB LEU 47 -0.126 -1.851 -1.991
382 HG LEU 47 HG LEU 47 0.683 -0.615 0.069
383 1HD1 LEU 47 1HD1 LEU 47 0.367 -3.359 -0.447
384 2HD1 LEU 47 2HD1 LEU 47 1.808 -3.220 0.588
385 3HD1 LEU 47 3HD1 LEU 47 0.260 -2.522 1.119
386 1HD2 LEU 47 2HD2 LEU 47 2.971 -0.157 -0.829
387 2HD2 LEU 47 3HD2 LEU 47 2.946 -0.863 0.805
388 3HD2 LEU 47 1HD2 LEU 47 3.351 -1.881 -0.598
389 H ASN 48 H ASN 48 0.099 -3.907 -3.747
390 HA ASN 48 HA ASN 48 -0.640 -2.581 -6.050
391 HB ASN 48 2HB ASN 48 1.353 -2.979 -7.220
392 HB ASN 48 QB ASN 48 1.353 -2.979 -7.220
393 1HD2 ASN 48 2HD2 ASN 48 3.930 -5.311 -6.515
394 2HD2 ASN 48 1HD2 ASN 48 3.211 -4.315 -7.736
395 H LEU 49 H LEU 49 -2.741 -3.408 -5.955
396 HA LEU 49 HA LEU 49 -3.009 -6.287 -5.455
397 HB LEU 49 2HB LEU 49 -4.125 -4.139 -4.126
398 HB LEU 49 QB LEU 49 -4.125 -4.139 -4.126
399 HG LEU 49 HG LEU 49 -6.133 -5.278 -6.056
400 1HD1 LEU 49 2HD1 LEU 49 -6.810 -5.854 -3.699
401 2HD1 LEU 49 3HD1 LEU 49 -6.884 -4.106 -3.371
402 3HD1 LEU 49 1HD1 LEU 49 -7.954 -4.827 -4.597
403 1HD2 LEU 49 1HD2 LEU 49 -5.036 -2.662 -5.427
404 2HD2 LEU 49 2HD2 LEU 49 -5.992 -3.199 -6.829
405 3HD2 LEU 49 3HD2 LEU 49 -6.814 -2.676 -5.340
406 H GLU 50 H GLU 50 -3.625 -7.550 -7.124
407 HA GLU 50 HA GLU 50 -4.576 -6.161 -9.482
408 HB GLU 50 2HB GLU 50 -4.124 -9.024 -9.834
409 HB GLU 50 QB GLU 50 -4.124 -9.024 -9.834
410 HG GLU 50 2HG GLU 50 -2.266 -7.987 -11.359
411 HG GLU 50 QG GLU 50 -2.266 -7.987 -11.359
412 HE2 GLU 50 HE GLU 50 -5.041 -6.687 -13.487
413 H ASP 51 H ASP 51 -5.611 -8.220 -6.859
414 HA ASP 51 HA ASP 51 -7.984 -8.966 -8.354
415 HB ASP 51 2HB ASP 51 -6.772 -9.921 -5.727
416 HB ASP 51 QB ASP 51 -6.772 -9.921 -5.727
417 HD2 ASP 51 HD ASP 51 -9.580 -12.304 -5.620
418 H LEU 52 H LEU 52 -8.479 -6.478 -8.097
419 HA LEU 52 HA LEU 52 -9.356 -5.797 -5.407
420 HB LEU 52 2HB LEU 52 -8.964 -4.226 -7.947
421 HB LEU 52 QB LEU 52 -8.964 -4.226 -7.947
422 HG LEU 52 HG LEU 52 -9.498 -2.192 -6.795
423 1HD1 LEU 52 2HD1 LEU 52 -11.344 -3.820 -7.810
424 2HD1 LEU 52 3HD1 LEU 52 -11.938 -3.770 -6.133
425 3HD1 LEU 52 1HD1 LEU 52 -11.756 -2.260 -7.057
426 1HD2 LEU 52 1HD2 LEU 52 -8.811 -3.131 -4.517
427 2HD2 LEU 52 2HD2 LEU 52 -10.175 -1.988 -4.559
428 3HD2 LEU 52 3HD2 LEU 52 -10.481 -3.735 -4.396
429 H SER 53 H SER 53 -11.440 -5.959 -4.760
430 HA SER 53 HA SER 53 -13.448 -5.992 -6.857
431 HB SER 53 2HB SER 53 -12.968 -8.095 -4.737
432 HB SER 53 QB SER 53 -12.968 -8.095 -4.737
433 HG SER 53 HG SER 53 -15.070 -8.184 -4.356
434 H PHE 54 H PHE 54 -13.873 -6.793 -3.382
435 HA PHE 54 HA PHE 54 -15.900 -4.962 -2.994
436 HB PHE 54 2HB PHE 54 -13.818 -6.267 -1.146
437 HB PHE 54 QB PHE 54 -13.818 -6.267 -1.146
438 HD1 PHE 54 2HD PHE 54 -17.400 -5.219 -0.926
439 HD2 PHE 54 1HD PHE 54 -13.570 -5.242 0.899
440 HE1 PHE 54 2HE PHE 54 -18.356 -4.077 1.094
441 HE2 PHE 54 1HE PHE 54 -14.525 -4.100 2.918
442 HZ PHE 54 HZ PHE 54 -16.907 -3.531 2.993
443 H MET 55 H MET 55 -12.570 -4.742 -1.540
444 HA MET 55 HA MET 55 -11.561 -2.982 -0.673
445 HB MET 55 2HB MET 55 -11.936 -2.673 -3.593
446 HB MET 55 QB MET 55 -11.936 -2.673 -3.593
447 HG MET 55 2HG MET 55 -10.696 -0.302 -3.332
448 HG MET 55 QG MET 55 -10.696 -0.302 -3.332
449 1HE MET 55 1HE MET 55 -12.230 -1.972 -5.184
450 2HE MET 55 2HE MET 55 -13.631 -2.492 -4.218
451 3HE MET 55 3HE MET 55 -13.870 -1.454 -5.644
452 H ASP 56 H ASP 56 -12.829 -2.121 1.004
453 HA ASP 56 HA ASP 56 -14.587 0.050 0.166
454 HB ASP 56 2HB ASP 56 -14.797 -1.261 2.880
455 HB ASP 56 QB ASP 56 -14.797 -1.261 2.880
456 HD1 ASP 56 HD ASP 56 -17.187 -1.026 0.342
457 H SER 57 H SER 57 -14.889 0.896 3.044
458 HA SER 57 HA SER 57 -12.306 2.190 3.267
459 HB SER 57 2HB SER 57 -14.761 3.304 3.290
460 HB SER 57 QB SER 57 -14.761 3.304 3.290
461 HG SER 57 HG SER 57 -15.547 2.377 5.206
462 H SER 58 H SER 58 -12.653 -0.628 4.043
463 HA SER 58 HA SER 58 -12.745 -0.506 6.922
464 HB SER 58 2HB SER 58 -13.041 -2.833 6.886
465 HB SER 58 QB SER 58 -13.041 -2.833 6.886
466 HG SER 58 HG SER 58 -14.212 -3.268 4.700
467 H GLY 59 H GLY 59 -10.507 -1.207 4.189
468 1HA GLY 59 1HA GLY 59 -8.288 -1.567 6.083
469 2HA GLY 59 2HA GLY 59 -8.303 -1.998 4.385
470 H LEU 60 H LEU 60 -9.873 0.927 4.424
471 HA LEU 60 HA LEU 60 -7.894 2.319 3.142
472 HB LEU 60 2HB LEU 60 -9.761 3.946 4.729
473 HB LEU 60 QB LEU 60 -9.761 3.946 4.729
474 HG LEU 60 HG LEU 60 -10.564 4.444 2.287
475 1HD1 LEU 60 2HD1 LEU 60 -8.769 5.636 4.042
476 2HD1 LEU 60 3HD1 LEU 60 -7.901 5.603 2.487
477 3HD1 LEU 60 1HD1 LEU 60 -9.503 6.375 2.598
478 1HD2 LEU 60 2HD2 LEU 60 -9.111 2.452 1.467
479 2HD2 LEU 60 3HD2 LEU 60 -9.153 3.956 0.516
480 3HD2 LEU 60 1HD2 LEU 60 -7.765 3.612 1.575
481 H GLY 61 H GLY 61 -8.697 2.211 6.657
482 1HA GLY 61 1HA GLY 61 -6.656 4.114 7.344
483 2HA GLY 61 2HA GLY 61 -7.640 3.153 8.431
484 H VAL 62 H VAL 62 -6.982 0.550 7.111
485 HA VAL 62 HA VAL 62 -4.715 -0.078 8.636
486 HB VAL 62 HB VAL 62 -6.771 -1.414 7.363
487 1HG1 VAL 62 2HG1 VAL 62 -4.138 -2.149 6.041
488 2HG1 VAL 62 3HG1 VAL 62 -5.612 -3.146 5.986
489 3HG1 VAL 62 1HG1 VAL 62 -5.604 -1.525 5.250
490 1HG2 VAL 62 1HG2 VAL 62 -4.577 -1.994 9.188
491 2HG2 VAL 62 2HG2 VAL 62 -6.245 -2.614 9.175
492 3HG2 VAL 62 3HG2 VAL 62 -4.993 -3.406 8.189
493 H ILE 63 H ILE 63 -5.171 1.180 5.380
494 HA ILE 63 HA ILE 63 -2.477 0.437 4.606
495 HB ILE 63 HB ILE 63 -4.920 1.425 3.276
496 HG1 ILE 63 2HG1 ILE 63 -3.230 -0.857 3.221
497 HG1 ILE 63 QG1 ILE 63 -3.230 -0.857 3.221
498 1HG2 ILE 63 3HG2 ILE 63 -2.179 2.397 2.540
499 2HG2 ILE 63 1HG2 ILE 63 -3.371 2.053 1.264
500 3HG2 ILE 63 2HG2 ILE 63 -3.739 3.254 2.524
501 1HD1 ILE 63 2HD1 ILE 63 -5.773 0.090 1.900
502 2HD1 ILE 63 3HD1 ILE 63 -5.008 -1.408 1.318
503 3HD1 ILE 63 1HD1 ILE 63 -5.520 -1.273 3.018
504 H LEU 64 H LEU 64 -4.378 3.237 5.739
505 HA LEU 64 HA LEU 64 -2.430 5.173 5.120
506 HB LEU 64 2HB LEU 64 -4.213 5.634 7.424
507 HB LEU 64 QB LEU 64 -4.213 5.634 7.424
508 HG LEU 64 HG LEU 64 -4.417 7.723 6.633
509 1HD1 LEU 64 3HD1 LEU 64 -1.923 6.977 6.359
510 2HD1 LEU 64 1HD1 LEU 64 -2.251 7.208 4.625
511 3HD1 LEU 64 2HD1 LEU 64 -2.461 8.564 5.759
512 1HD2 LEU 64 1HD2 LEU 64 -5.215 6.327 4.230
513 2HD2 LEU 64 2HD2 LEU 64 -5.725 7.916 4.850
514 3HD2 LEU 64 3HD2 LEU 64 -4.269 7.782 3.836
515 H GLY 65 H GLY 65 -3.111 3.152 8.029
516 1HA GLY 65 1HA GLY 65 -1.289 4.306 9.777
517 2HA GLY 65 2HA GLY 65 -1.831 2.640 9.803
518 H ARG 66 H ARG 66 -0.772 2.322 6.896
519 HA ARG 66 HA ARG 66 1.820 1.507 7.747
520 HB ARG 66 2HB ARG 66 1.437 1.232 4.882
521 HB ARG 66 QB ARG 66 1.437 1.232 4.882
522 HG ARG 66 2HG ARG 66 1.404 -0.676 7.258
523 HG ARG 66 QG ARG 66 1.404 -0.676 7.258
524 HD ARG 66 2HD ARG 66 0.098 -1.351 4.999
525 HD ARG 66 QD ARG 66 0.098 -1.351 4.999
526 HE ARG 66 HE ARG 66 1.597 -1.557 3.233
527 1HH1 ARG 66 2HH2 ARG 66 3.358 -2.221 6.236
528 2HH1 ARG 66 1HH2 ARG 66 4.853 -2.557 5.430
529 HH2 ARG 66 1HH ARG 66 4.955 -2.422 3.038
530 H TYR 67 H TYR 67 0.320 4.007 5.661
531 HA TYR 67 HA TYR 67 2.598 4.853 4.308
532 HB TYR 67 2HB TYR 67 0.534 6.821 5.323
533 HB TYR 67 QB TYR 67 0.534 6.821 5.323
534 HD1 TYR 67 1HD TYR 67 0.367 5.086 2.074
535 HD2 TYR 67 2HD TYR 67 1.791 8.543 4.154
536 HE1 TYR 67 1HE TYR 67 0.839 6.236 -0.145
537 HE2 TYR 67 2HE TYR 67 2.258 9.681 1.930
538 HH TYR 67 HH TYR 67 2.803 8.661 -0.534
539 H LYS 68 H LYS 68 1.196 5.901 7.479
540 HA LYS 68 HA LYS 68 3.319 7.795 7.860
541 HB LYS 68 2HB LYS 68 2.176 8.415 9.831
542 HB LYS 68 QB LYS 68 2.176 8.415 9.831
543 HG LYS 68 2HG LYS 68 -0.278 8.439 9.091
544 HG LYS 68 QG LYS 68 -0.278 8.439 9.091
545 HD LYS 68 2HD LYS 68 0.555 9.444 6.666
546 HD LYS 68 QD LYS 68 0.555 9.444 6.666
547 HE LYS 68 2HE LYS 68 0.807 10.644 9.460
548 HE LYS 68 QE LYS 68 0.807 10.644 9.460
549 1HZ LYS 68 1HZ LYS 68 1.030 11.975 6.813
550 2HZ LYS 68 2HZ LYS 68 0.835 12.776 8.218
551 H GLN 69 H GLN 69 3.387 4.537 7.746
552 HA GLN 69 HA GLN 69 4.967 4.253 10.163
553 HB GLN 69 2HB GLN 69 4.711 1.807 8.609
554 HB GLN 69 QB GLN 69 4.711 1.807 8.609
555 HG GLN 69 2HG GLN 69 4.939 2.359 11.214
556 HG GLN 69 QG GLN 69 4.939 2.359 11.214
557 1HE2 GLN 69 2HE2 GLN 69 1.181 1.713 12.304
558 2HE2 GLN 69 1HE2 GLN 69 2.333 0.550 11.736
559 H ILE 70 H ILE 70 5.095 3.672 6.586
560 HA ILE 70 HA ILE 70 7.806 2.907 6.594
561 HB ILE 70 HB ILE 70 6.100 2.355 4.869
562 HG1 ILE 70 2HG1 ILE 70 8.612 3.682 3.808
563 HG1 ILE 70 QG1 ILE 70 8.612 3.682 3.808
564 1HG2 ILE 70 1HG2 ILE 70 6.517 5.237 4.029
565 2HG2 ILE 70 2HG2 ILE 70 5.681 3.992 3.070
566 3HG2 ILE 70 3HG2 ILE 70 5.012 4.507 4.637
567 1HD1 ILE 70 3HD1 ILE 70 8.069 0.949 5.041
568 2HD1 ILE 70 1HD1 ILE 70 9.476 1.276 4.000
569 3HD1 ILE 70 2HD1 ILE 70 9.286 2.148 5.540
570 H LYS 71 H LYS 71 6.078 6.033 6.297
571 HA LYS 71 HA LYS 71 8.476 7.451 5.646
572 HB LYS 71 2HB LYS 71 6.521 9.263 6.534
573 HB LYS 71 QB LYS 71 6.521 9.263 6.534
574 HG LYS 71 2HG LYS 71 6.547 8.377 3.668
575 HG LYS 71 QG LYS 71 6.547 8.377 3.668
576 HD LYS 71 2HD LYS 71 6.864 11.011 5.173
577 HD LYS 71 QD LYS 71 6.864 11.011 5.173
578 HE LYS 71 2HE LYS 71 6.901 10.505 2.158
579 HE LYS 71 QE LYS 71 6.901 10.505 2.158
580 1HZ LYS 71 1HZ LYS 71 5.774 12.573 2.844
581 2HZ LYS 71 2HZ LYS 71 7.080 13.044 3.693
582 H GLN 72 H GLN 72 6.893 6.280 8.536
583 HA GLN 72 HA GLN 72 7.915 8.219 10.280
584 HB GLN 72 2HB GLN 72 6.381 5.740 10.442
585 HB GLN 72 QB GLN 72 6.381 5.740 10.442
586 HG GLN 72 2HG GLN 72 8.610 6.216 12.452
587 HG GLN 72 QG GLN 72 8.610 6.216 12.452
588 1HE2 GLN 72 2HE2 GLN 72 5.168 4.202 13.622
589 2HE2 GLN 72 1HE2 GLN 72 5.710 4.196 11.977
590 H ILE 73 H ILE 73 9.208 5.259 8.811
591 HA ILE 73 HA ILE 73 11.427 5.141 10.646
592 HB ILE 73 HB ILE 73 11.206 3.617 8.075
593 HG1 ILE 73 2HG1 ILE 73 9.095 3.714 9.871
594 HG1 ILE 73 QG1 ILE 73 9.095 3.714 9.871
595 1HG2 ILE 73 3HG2 ILE 73 13.135 3.629 9.952
596 2HG2 ILE 73 1HG2 ILE 73 12.065 2.378 10.628
597 3HG2 ILE 73 2HG2 ILE 73 12.713 2.199 8.980
598 1HD1 ILE 73 3HD1 ILE 73 9.531 2.659 7.433
599 2HD1 ILE 73 1HD1 ILE 73 9.643 1.159 8.385
600 3HD1 ILE 73 2HD1 ILE 73 8.160 2.142 8.444
601 H GLY 74 H GLY 74 10.560 6.741 7.660
602 1HA GLY 74 1HA GLY 74 11.968 8.638 7.106
603 2HA GLY 74 2HA GLY 74 13.371 7.623 7.378
604 H GLY 75 H GLY 75 10.527 6.171 5.865
605 1HA GLY 75 1HA GLY 75 11.996 6.117 3.300
606 2HA GLY 75 2HA GLY 75 10.926 4.860 3.890
607 H GLU 76 H GLU 76 9.346 4.854 2.286
608 HA GLU 76 HA GLU 76 7.579 7.101 2.353
609 HB GLU 76 2HB GLU 76 7.887 7.930 0.247
610 HB GLU 76 QB GLU 76 7.887 7.930 0.247
611 HG GLU 76 2HG GLU 76 10.292 7.241 -0.675
612 HG GLU 76 QG GLU 76 10.292 7.241 -0.675
613 HE2 GLU 76 HE GLU 76 12.047 8.099 1.311
614 H MET 77 H MET 77 5.455 6.585 1.350
615 HA MET 77 HA MET 77 5.129 3.690 1.169
616 HB MET 77 2HB MET 77 2.915 5.686 1.823
617 HB MET 77 QB MET 77 2.915 5.686 1.823
618 HG MET 77 2HG MET 77 2.625 3.091 1.358
619 HG MET 77 QG MET 77 2.625 3.091 1.358
620 1HE MET 77 2HE MET 77 3.277 0.924 1.712
621 2HE MET 77 3HE MET 77 3.712 0.137 3.248
622 3HE MET 77 1HE MET 77 2.056 0.738 2.993
623 H VAL 78 H VAL 78 4.314 2.843 -0.717
624 HA VAL 78 HA VAL 78 3.028 4.737 -2.555
625 HB VAL 78 HB VAL 78 5.151 2.666 -3.118
626 1HG1 VAL 78 2HG1 VAL 78 3.020 3.739 -4.868
627 2HG1 VAL 78 3HG1 VAL 78 4.665 3.815 -5.543
628 3HG1 VAL 78 1HG1 VAL 78 3.992 2.254 -5.014
629 1HG2 VAL 78 3HG2 VAL 78 5.027 5.639 -3.071
630 2HG2 VAL 78 1HG2 VAL 78 6.375 4.538 -2.702
631 3HG2 VAL 78 2HG2 VAL 78 5.957 4.897 -4.394
632 H VAL 79 H VAL 79 1.372 3.822 -3.912
633 HA VAL 79 HA VAL 79 0.684 1.058 -3.534
634 HB VAL 79 HB VAL 79 -0.226 2.059 -1.506
635 1HG1 VAL 79 3HG1 VAL 79 -1.456 3.999 -3.451
636 2HG1 VAL 79 1HG1 VAL 79 -2.268 3.645 -1.906
637 3HG1 VAL 79 2HG1 VAL 79 -0.618 4.312 -1.911
638 1HG2 VAL 79 1HG2 VAL 79 -2.162 1.115 -3.622
639 2HG2 VAL 79 2HG2 VAL 79 -1.485 0.222 -2.240
640 3HG2 VAL 79 3HG2 VAL 79 -2.702 1.491 -1.969
641 H CYS 80 H CYS 80 -0.393 0.289 -5.327
642 HA CYS 80 HA CYS 80 -1.572 2.284 -7.094
643 HB CYS 80 2HB CYS 80 0.827 1.750 -7.793
644 HB CYS 80 QB CYS 80 0.827 1.750 -7.793
645 HG CYS 80 HG CYS 80 0.652 -0.500 -9.608
646 H ALA 81 H ALA 81 -2.275 0.470 -9.171
647 HA ALA 81 HA ALA 81 -3.606 -1.232 -9.713
648 1HB ALA 81 3HB ALA 81 -2.337 -2.189 -7.369
649 2HB ALA 81 1HB ALA 81 -4.073 -2.521 -7.158
650 3HB ALA 81 2HB ALA 81 -3.216 -3.139 -8.590
651 H ILE 82 H ILE 82 -4.377 1.455 -8.627
652 HA ILE 82 HA ILE 82 -6.691 1.138 -7.048
653 HB ILE 82 HB ILE 82 -5.146 3.187 -7.518
654 HG1 ILE 82 2HG1 ILE 82 -8.122 3.220 -7.022
655 HG1 ILE 82 QG1 ILE 82 -8.122 3.220 -7.022
656 1HG2 ILE 82 2HG2 ILE 82 -6.324 2.959 -10.033
657 2HG2 ILE 82 3HG2 ILE 82 -7.163 4.328 -9.268
658 3HG2 ILE 82 1HG2 ILE 82 -5.388 4.336 -9.405
659 1HD1 ILE 82 3HD1 ILE 82 -6.291 2.276 -5.389
660 2HD1 ILE 82 1HD1 ILE 82 -5.873 3.989 -5.142
661 3HD1 ILE 82 2HD1 ILE 82 -7.509 3.408 -4.750
662 H SER 83 H SER 83 -8.387 2.931 -8.809
663 HA SER 83 HA SER 83 -8.932 1.728 -11.200
664 HB SER 83 2HB SER 83 -11.214 0.762 -9.668
665 HB SER 83 QB SER 83 -11.214 0.762 -9.668
666 HG SER 83 HG SER 83 -9.358 -0.206 -11.592
667 HA PRO 84 HA PRO 84 -11.864 4.951 -11.193
668 HB PRO 84 2HB PRO 84 -12.391 4.689 -13.419
669 HB PRO 84 QB PRO 84 -12.391 4.689 -13.419
670 HG PRO 84 2HG PRO 84 -12.081 2.554 -14.237
671 HG PRO 84 QG PRO 84 -12.081 2.554 -14.237
672 HD PRO 84 2HD PRO 84 -10.511 1.771 -12.751
673 HD PRO 84 QD PRO 84 -10.511 1.771 -12.751
674 H ALA 85 H ALA 85 -12.569 2.172 -9.598
675 HA ALA 85 HA ALA 85 -14.826 3.525 -8.302
676 1HB ALA 85 2HB ALA 85 -15.200 1.415 -9.975
677 2HB ALA 85 3HB ALA 85 -14.890 0.553 -8.449
678 3HB ALA 85 1HB ALA 85 -16.218 1.732 -8.550
679 H VAL 86 H VAL 86 -11.840 3.290 -7.797
680 HA VAL 86 HA VAL 86 -12.116 2.198 -5.099
681 HB VAL 86 HB VAL 86 -10.079 1.479 -7.186
682 1HG1 VAL 86 2HG1 VAL 86 -9.518 2.088 -4.409
683 2HG1 VAL 86 3HG1 VAL 86 -9.203 0.370 -4.753
684 3HG1 VAL 86 1HG1 VAL 86 -8.403 1.633 -5.720
685 1HG2 VAL 86 1HG2 VAL 86 -12.289 0.166 -6.225
686 2HG2 VAL 86 2HG2 VAL 86 -10.883 -0.616 -6.987
687 3HG2 VAL 86 3HG2 VAL 86 -10.991 -0.512 -5.213
688 H LYS 87 H LYS 87 -10.474 4.308 -7.485
689 HA LYS 87 HA LYS 87 -8.909 5.630 -5.509
690 HB LYS 87 2HB LYS 87 -8.637 5.355 -8.146
691 HB LYS 87 QB LYS 87 -8.637 5.355 -8.146
692 HG LYS 87 2HG LYS 87 -9.509 8.233 -8.055
693 HG LYS 87 QG LYS 87 -9.509 8.233 -8.055
694 HD LYS 87 2HD LYS 87 -10.295 7.161 -10.458
695 HD LYS 87 QD LYS 87 -10.295 7.161 -10.458
696 HE LYS 87 2HE LYS 87 -7.449 8.031 -9.761
697 HE LYS 87 QE LYS 87 -7.449 8.031 -9.761
698 1HZ LYS 87 1HZ LYS 87 -8.968 7.853 -12.292
699 2HZ LYS 87 2HZ LYS 87 -7.729 8.899 -12.143
700 H ARG 88 H ARG 88 -12.226 5.578 -6.173
701 HA ARG 88 HA ARG 88 -12.737 8.324 -5.846
702 HB ARG 88 2HB ARG 88 -14.247 6.463 -6.898
703 HB ARG 88 QB ARG 88 -14.247 6.463 -6.898
704 HG ARG 88 2HG ARG 88 -15.985 5.686 -5.154
705 HG ARG 88 QG ARG 88 -15.985 5.686 -5.154
706 HD ARG 88 2HD ARG 88 -13.391 4.392 -4.407
707 HD ARG 88 QD ARG 88 -13.391 4.392 -4.407
708 HE ARG 88 HE ARG 88 -14.987 2.714 -4.207
709 1HH1 ARG 88 2HH2 ARG 88 -15.913 4.774 -6.937
710 2HH1 ARG 88 1HH2 ARG 88 -17.316 3.839 -7.327
711 HH2 ARG 88 1HH ARG 88 -17.842 1.905 -6.011
712 H LEU 89 H LEU 89 -12.093 5.605 -3.712
713 HA LEU 89 HA LEU 89 -13.431 6.559 -1.426
714 HB LEU 89 2HB LEU 89 -11.447 5.030 -0.424
715 HB LEU 89 QB LEU 89 -11.447 5.030 -0.424
716 HG LEU 89 HG LEU 89 -13.879 3.978 -1.894
717 1HD1 LEU 89 2HD1 LEU 89 -11.980 2.582 0.007
718 2HD1 LEU 89 3HD1 LEU 89 -13.579 1.955 -0.462
719 3HD1 LEU 89 1HD1 LEU 89 -12.314 2.176 -1.694
720 1HD2 LEU 89 3HD2 LEU 89 -13.646 5.479 0.497
721 2HD2 LEU 89 1HD2 LEU 89 -15.092 4.693 -0.183
722 3HD2 LEU 89 2HD2 LEU 89 -14.053 3.809 0.961
723 H PHE 90 H PHE 90 -10.088 6.971 -2.720
724 HA PHE 90 HA PHE 90 -9.406 8.657 -0.480
725 HB PHE 90 2HB PHE 90 -7.204 8.629 -1.599
726 HB PHE 90 QB PHE 90 -7.204 8.629 -1.599
727 HD1 PHE 90 1HD PHE 90 -8.706 5.824 -3.437
728 HD2 PHE 90 2HD PHE 90 -6.708 7.016 0.113
729 HE1 PHE 90 1HE PHE 90 -8.279 3.417 -2.867
730 HE2 PHE 90 2HE PHE 90 -6.281 4.610 0.681
731 HZ PHE 90 HZ PHE 90 -7.072 2.839 -0.816
732 H ASP 91 H ASP 91 -10.796 8.969 -3.667
733 HA ASP 91 HA ASP 91 -9.822 11.546 -4.201
734 HB ASP 91 2HB ASP 91 -12.438 11.027 -5.384
735 HB ASP 91 QB ASP 91 -12.438 11.027 -5.384
736 HD1 ASP 91 HD ASP 91 -11.208 12.685 -7.701
737 H MET 92 H MET 92 -12.620 10.121 -2.478
738 HA MET 92 HA MET 92 -13.900 12.676 -2.223
739 HB MET 92 2HB MET 92 -14.531 9.933 -0.996
740 HB MET 92 QB MET 92 -14.531 9.933 -0.996
741 HG MET 92 2HG MET 92 -16.706 11.903 -1.500
742 HG MET 92 QG MET 92 -16.706 11.903 -1.500
743 1HE MET 92 3HE MET 92 -17.818 12.446 0.855
744 2HE MET 92 1HE MET 92 -18.538 11.084 1.745
745 3HE MET 92 2HE MET 92 -16.977 11.762 2.267
746 H SER 93 H SER 93 -11.845 10.463 -0.336
747 HA SER 93 HA SER 93 -12.378 11.588 2.156
748 HB SER 93 2HB SER 93 -10.095 9.954 1.013
749 HB SER 93 QB SER 93 -10.095 9.954 1.013
750 HG SER 93 HG SER 93 -10.250 11.284 3.534
751 H GLY 94 H GLY 94 -10.312 12.514 -0.572
752 1HA GLY 94 1HA GLY 94 -9.170 14.415 -0.972
753 2HA GLY 94 2HA GLY 94 -9.862 15.109 0.481
754 H LEU 95 H LEU 95 -8.217 12.020 0.828
755 HA LEU 95 HA LEU 95 -5.883 13.445 1.902
756 HB LEU 95 2HB LEU 95 -6.826 10.834 3.019
757 HB LEU 95 QB LEU 95 -6.826 10.834 3.019
758 HG LEU 95 HG LEU 95 -4.806 11.432 4.028
759 1HD1 LEU 95 1HD1 LEU 95 -5.793 14.262 3.811
760 2HD1 LEU 95 2HD1 LEU 95 -4.529 13.832 4.988
761 3HD1 LEU 95 3HD1 LEU 95 -4.263 13.543 3.252
762 1HD2 LEU 95 1HD2 LEU 95 -7.115 12.414 5.709
763 2HD2 LEU 95 2HD2 LEU 95 -6.304 10.830 5.747
764 3HD2 LEU 95 3HD2 LEU 95 -5.454 12.280 6.335
765 H PHE 96 H PHE 96 -6.829 11.912 -0.740
766 HA PHE 96 HA PHE 96 -5.417 9.612 -1.049
767 HB PHE 96 2HB PHE 96 -5.185 11.566 -3.292
768 HB PHE 96 QB PHE 96 -5.185 11.566 -3.292
769 HD1 PHE 96 2HD PHE 96 -4.871 8.468 -2.474
770 HD2 PHE 96 1HD PHE 96 -7.637 10.723 -4.769
771 HE1 PHE 96 2HE PHE 96 -5.422 6.421 -3.819
772 HE2 PHE 96 1HE PHE 96 -8.189 8.677 -6.114
773 HZ PHE 96 HZ PHE 96 -7.075 6.551 -5.623
774 H LYS 97 H LYS 97 -4.207 12.981 -1.020
775 HA LYS 97 HA LYS 97 -1.689 12.446 -2.112
776 HB LYS 97 2HB LYS 97 -1.085 14.619 -1.302
777 HB LYS 97 QB LYS 97 -1.085 14.619 -1.302
778 HG LYS 97 2HG LYS 97 -3.695 15.626 -1.628
779 HG LYS 97 QG LYS 97 -3.695 15.626 -1.628
780 HD LYS 97 2HD LYS 97 -1.256 15.696 -2.981
781 HD LYS 97 QD LYS 97 -1.256 15.696 -2.981
782 HE LYS 97 2HE LYS 97 -3.031 13.851 -4.378
783 HE LYS 97 QE LYS 97 -3.031 13.851 -4.378
784 1HZ LYS 97 1HZ LYS 97 -2.097 15.886 -6.231
785 2HZ LYS 97 2HZ LYS 97 -3.439 14.968 -6.307
786 H ILE 98 H ILE 98 -3.136 11.676 0.976
787 HA ILE 98 HA ILE 98 -0.581 11.389 2.288
788 HB ILE 98 HB ILE 98 -3.175 11.883 3.110
789 HG1 ILE 98 2HG1 ILE 98 -2.069 12.606 4.904
790 HG1 ILE 98 QG1 ILE 98 -2.069 12.606 4.904
791 1HG2 ILE 98 1HG2 ILE 98 -2.397 9.051 3.835
792 2HG2 ILE 98 2HG2 ILE 98 -3.605 10.007 4.727
793 3HG2 ILE 98 3HG2 ILE 98 -3.874 9.609 3.013
794 1HD1 ILE 98 2HD1 ILE 98 -0.997 9.761 5.154
795 2HD1 ILE 98 3HD1 ILE 98 -0.614 11.064 6.304
796 3HD1 ILE 98 1HD1 ILE 98 -2.294 10.512 6.114
797 H ILE 99 H ILE 99 -2.408 9.641 0.021
798 HA ILE 99 HA ILE 99 -1.152 7.141 0.924
799 HB ILE 99 HB ILE 99 -3.788 7.606 -0.465
800 HG1 ILE 99 2HG1 ILE 99 -4.696 6.391 1.483
801 HG1 ILE 99 QG1 ILE 99 -4.696 6.391 1.483
802 1HG2 ILE 99 1HG2 ILE 99 -2.569 5.733 -1.522
803 2HG2 ILE 99 2HG2 ILE 99 -2.428 4.951 0.071
804 3HG2 ILE 99 3HG2 ILE 99 -4.032 5.207 -0.656
805 1HD1 ILE 99 3HD1 ILE 99 -2.487 5.207 2.025
806 2HD1 ILE 99 1HD1 ILE 99 -1.931 6.754 2.711
807 3HD1 ILE 99 2HD1 ILE 99 -3.338 5.921 3.417
808 H ARG 100 H ARG 100 -1.238 9.673 -1.381
809 HA ARG 100 HA ARG 100 -0.677 9.781 -3.522
810 HB ARG 100 2HB ARG 100 1.804 8.303 -2.533
811 HB ARG 100 QB ARG 100 1.804 8.303 -2.533
812 HG ARG 100 2HG ARG 100 2.768 10.413 -3.855
813 HG ARG 100 QG ARG 100 2.768 10.413 -3.855
814 HD ARG 100 2HD ARG 100 1.541 8.046 -5.352
815 HD ARG 100 QD ARG 100 1.541 8.046 -5.352
816 HE ARG 100 HE ARG 100 2.648 9.173 -7.076
817 1HH1 ARG 100 1HH2 ARG 100 5.946 10.163 -4.938
818 2HH1 ARG 100 2HH2 ARG 100 4.607 9.413 -4.134
819 HH2 ARG 100 1HH ARG 100 5.809 10.593 -7.292
820 H PHE 101 H PHE 101 -2.128 8.338 -4.648
821 HA PHE 101 HA PHE 101 -1.103 5.631 -5.071
822 HB PHE 101 2HB PHE 101 -3.735 6.449 -6.204
823 HB PHE 101 QB PHE 101 -3.735 6.449 -6.204
824 HD1 PHE 101 2HD PHE 101 -3.421 4.110 -7.035
825 HD2 PHE 101 1HD PHE 101 -3.740 5.004 -2.900
826 HE1 PHE 101 2HE PHE 101 -3.949 1.704 -6.556
827 HE2 PHE 101 1HE PHE 101 -4.270 2.597 -2.420
828 HZ PHE 101 HZ PHE 101 -4.368 0.976 -4.255
829 H GLU 102 H GLU 102 -1.768 4.765 -7.398
830 HA GLU 102 HA GLU 102 -1.471 6.841 -9.373
831 HB GLU 102 2HB GLU 102 0.335 4.589 -9.956
832 HB GLU 102 QB GLU 102 0.335 4.589 -9.956
833 HG GLU 102 2HG GLU 102 1.846 6.887 -9.906
834 HG GLU 102 QG GLU 102 1.846 6.887 -9.906
835 HE2 GLU 102 HE GLU 102 2.736 5.932 -11.600
836 H GLN 103 H GLN 103 -0.718 4.666 -11.391
837 HA GLN 103 HA GLN 103 -2.965 2.897 -11.242
838 HB GLN 103 2HB GLN 103 -3.827 3.600 -13.508
839 HB GLN 103 QB GLN 103 -3.827 3.600 -13.508
840 HG GLN 103 2HG GLN 103 -3.835 5.765 -11.349
841 HG GLN 103 QG GLN 103 -3.835 5.765 -11.349
842 1HE2 GLN 103 2HE2 GLN 103 -7.109 5.715 -13.792
843 2HE2 GLN 103 1HE2 GLN 103 -6.631 4.383 -12.793
844 H SER 104 H SER 104 -1.479 1.168 -11.284
845 HA SER 104 HA SER 104 0.005 -0.218 -12.068
846 HB SER 104 2HB SER 104 -1.369 0.640 -14.639
847 HB SER 104 QB SER 104 -1.369 0.640 -14.639
848 HG SER 104 HG SER 104 0.684 -1.337 -14.221
849 H GLU 105 H GLU 105 -0.009 2.460 -14.544
850 HA GLU 105 HA GLU 105 2.434 2.369 -15.466
851 HB GLU 105 2HB GLU 105 1.007 4.881 -14.491
852 HB GLU 105 QB GLU 105 1.007 4.881 -14.491
853 HG GLU 105 2HG GLU 105 3.635 4.529 -15.718
854 HG GLU 105 QG GLU 105 3.635 4.529 -15.718
855 HE1 GLU 105 HE GLU 105 2.273 3.832 -17.864
856 H GLN 106 H GLN 106 1.570 3.230 -12.128
857 HA GLN 106 HA GLN 106 4.015 4.372 -11.441
858 HB GLN 106 2HB GLN 106 1.665 3.223 -9.961
859 HB GLN 106 QB GLN 106 1.665 3.223 -9.961
860 HG GLN 106 2HG GLN 106 4.409 3.789 -8.765
861 HG GLN 106 QG GLN 106 4.409 3.789 -8.765
862 1HE2 GLN 106 2HE2 GLN 106 3.019 5.558 -6.132
863 2HE2 GLN 106 1HE2 GLN 106 4.195 5.430 -7.398
864 H GLN 107 H GLN 107 3.261 1.199 -12.384
865 HA GLN 107 HA GLN 107 4.374 -0.547 -10.805
866 HB GLN 107 2HB GLN 107 5.077 -0.292 -13.763
867 HB GLN 107 QB GLN 107 5.077 -0.292 -13.763
868 HG GLN 107 2HG GLN 107 4.790 -2.812 -12.070
869 HG GLN 107 QG GLN 107 4.790 -2.812 -12.070
870 1HE2 GLN 107 2HE2 GLN 107 6.897 -3.606 -15.360
871 2HE2 GLN 107 1HE2 GLN 107 7.478 -2.873 -13.902
872 H ALA 108 H ALA 108 6.120 2.098 -12.405
873 HA ALA 108 HA ALA 108 8.688 1.018 -11.594
874 1HB ALA 108 1HB ALA 108 7.851 3.537 -13.083
875 2HB ALA 108 2HB ALA 108 9.536 3.067 -12.759
876 3HB ALA 108 3HB ALA 108 8.510 2.045 -13.794
877 H LEU 109 H LEU 109 6.646 3.969 -11.019
878 HA LEU 109 HA LEU 109 8.316 4.961 -8.990
879 HB LEU 109 2HB LEU 109 5.640 5.857 -8.639
880 HB LEU 109 QB LEU 109 5.640 5.857 -8.639
881 HG LEU 109 HG LEU 109 8.173 7.017 -9.705
882 1HD1 LEU 109 2HD1 LEU 109 5.440 7.954 -10.475
883 2HD1 LEU 109 3HD1 LEU 109 6.695 9.163 -10.116
884 3HD1 LEU 109 1HD1 LEU 109 6.960 7.960 -11.401
885 1HD2 LEU 109 2HD2 LEU 109 6.844 7.040 -7.272
886 2HD2 LEU 109 3HD2 LEU 109 8.188 8.100 -7.759
887 3HD2 LEU 109 1HD2 LEU 109 6.506 8.648 -7.956
888 H LEU 110 H LEU 110 6.134 2.288 -9.116
889 HA LEU 110 HA LEU 110 5.105 2.298 -6.542
890 HB LEU 110 2HB LEU 110 5.902 -0.243 -7.899
891 HB LEU 110 QB LEU 110 5.902 -0.243 -7.899
892 HG LEU 110 HG LEU 110 4.364 -0.039 -5.793
893 1HD1 LEU 110 1HD1 LEU 110 2.469 0.773 -8.011
894 2HD1 LEU 110 2HD1 LEU 110 1.953 0.169 -6.418
895 3HD1 LEU 110 3HD1 LEU 110 2.879 1.685 -6.538
896 1HD2 LEU 110 3HD2 LEU 110 4.813 -2.011 -7.469
897 2HD2 LEU 110 1HD2 LEU 110 3.487 -2.105 -6.286
898 3HD2 LEU 110 2HD2 LEU 110 3.141 -1.681 -7.980
899 H THR 111 H THR 111 8.302 1.313 -7.824
900 HA THR 111 HA THR 111 9.230 -0.026 -5.568
901 HB THR 111 HB THR 111 10.260 1.166 -8.069
902 HG1 THR 111 1HG THR 111 10.856 -1.000 -6.183
903 1HG2 THR 111 3HG2 THR 111 12.057 0.979 -5.594
904 2HG2 THR 111 1HG2 THR 111 12.656 1.068 -7.268
905 3HG2 THR 111 2HG2 THR 111 11.761 2.438 -6.568
906 H LEU 112 H LEU 112 8.100 3.130 -5.713
907 HA LEU 112 HA LEU 112 7.991 4.465 -3.860
908 HB LEU 112 2HB LEU 112 10.642 3.279 -3.027
909 HB LEU 112 QB LEU 112 10.642 3.279 -3.027
910 HG LEU 112 HG LEU 112 9.042 5.458 -1.907
911 1HD1 LEU 112 2HD1 LEU 112 8.112 3.678 -0.521
912 2HD1 LEU 112 3HD1 LEU 112 9.752 3.143 -0.085
913 3HD1 LEU 112 1HD1 LEU 112 9.172 4.744 0.432
914 1HD2 LEU 112 3HD2 LEU 112 11.824 4.421 -1.821
915 2HD2 LEU 112 1HD2 LEU 112 11.214 6.075 -2.063
916 3HD2 LEU 112 2HD2 LEU 112 11.277 5.382 -0.426
917 H GLY 113 H GLY 113 9.085 4.706 -6.627
918 1HA GLY 113 1HA GLY 113 10.351 6.100 -7.889
919 2HA GLY 113 2HA GLY 113 9.745 7.305 -6.772
920 H VAL 114 H VAL 114 11.829 4.667 -5.614
921 HA VAL 114 HA VAL 114 14.151 6.428 -5.689
922 HB VAL 114 HB VAL 114 12.818 5.331 -3.222
923 1HG1 VAL 114 2HG1 VAL 114 15.719 5.824 -3.722
924 2HG1 VAL 114 3HG1 VAL 114 15.046 6.372 -2.169
925 3HG1 VAL 114 1HG1 VAL 114 14.922 4.660 -2.636
926 1HG2 VAL 114 1HG2 VAL 114 12.207 7.607 -4.001
927 2HG2 VAL 114 2HG2 VAL 114 13.011 7.615 -2.413
928 3HG2 VAL 114 3HG2 VAL 114 13.916 8.087 -3.871
929 H ALA 115 H ALA 115 14.234 4.617 -7.485
930 HA ALA 115 HA ALA 115 16.289 2.977 -7.049
931 1HB ALA 115 3HB ALA 115 13.930 1.952 -5.650
932 2HB ALA 115 1HB ALA 115 14.574 0.780 -6.825
933 3HB ALA 115 2HB ALA 115 15.629 1.431 -5.548
934 H SER 116 H SER 116 16.608 3.480 -9.231
935 HA SER 116 HA SER 116 16.449 3.281 -11.385
936 HB SER 116 2HB SER 116 14.602 0.942 -11.415
937 HB SER 116 QB SER 116 14.602 0.942 -11.415
938 HG SER 116 HG SER 116 15.968 0.293 -12.969
No H/Q in entry = 795
Start of MODEL 6
1 H SER 1 H SER 1 -11.762 -15.230 1.826
2 HA SER 1 HA SER 1 -9.925 -16.132 0.987
3 HB SER 1 2HB SER 1 -10.524 -16.328 -1.749
4 HB SER 1 QB SER 1 -10.524 -16.328 -1.749
5 HG SER 1 HG SER 1 -11.853 -18.268 -0.827
6 H LEU 2 H LEU 2 -8.548 -14.169 1.396
7 HA LEU 2 HA LEU 2 -7.858 -12.793 -1.102
8 HB LEU 2 2HB LEU 2 -7.826 -11.980 1.778
9 HB LEU 2 QB LEU 2 -7.826 -11.980 1.778
10 HG LEU 2 HG LEU 2 -5.716 -11.294 -0.021
11 1HD1 LEU 2 3HD1 LEU 2 -7.692 -9.618 -0.666
12 2HD1 LEU 2 1HD1 LEU 2 -7.054 -8.749 0.750
13 3HD1 LEU 2 2HD1 LEU 2 -5.983 -9.121 -0.622
14 1HD2 LEU 2 1HD2 LEU 2 -6.536 -10.762 2.777
15 2HD2 LEU 2 2HD2 LEU 2 -4.991 -11.350 2.116
16 3HD2 LEU 2 3HD2 LEU 2 -5.382 -9.614 2.060
17 H GLY 3 H GLY 3 -5.673 -12.686 -1.768
18 1HA GLY 3 1HA GLY 3 -4.057 -14.895 -0.772
19 2HA GLY 3 2HA GLY 3 -3.787 -13.932 -2.212
20 H ILE 4 H ILE 4 -1.536 -13.638 -1.622
21 HA ILE 4 HA ILE 4 -0.983 -11.257 -0.371
22 HB ILE 4 HB ILE 4 -1.744 -12.891 1.595
23 HG1 ILE 4 2HG1 ILE 4 -0.036 -11.487 3.030
24 HG1 ILE 4 QG1 ILE 4 -0.036 -11.487 3.030
25 1HG2 ILE 4 1HG2 ILE 4 0.083 -14.518 1.012
26 2HG2 ILE 4 2HG2 ILE 4 1.254 -13.294 1.556
27 3HG2 ILE 4 3HG2 ILE 4 0.069 -13.962 2.704
28 1HD1 ILE 4 1HD1 ILE 4 1.327 -10.944 0.910
29 2HD1 ILE 4 2HD1 ILE 4 -0.044 -9.921 0.420
30 3HD1 ILE 4 3HD1 ILE 4 0.848 -9.556 1.917
31 H ASP 5 H ASP 5 1.051 -10.636 -1.002
32 HA ASP 5 HA ASP 5 2.927 -12.750 -1.604
33 HB ASP 5 2HB ASP 5 3.026 -10.658 -3.651
34 HB ASP 5 QB ASP 5 3.026 -10.658 -3.651
35 HD2 ASP 5 HD ASP 5 3.683 -12.635 -5.948
36 H MET 6 H MET 6 5.132 -12.012 -1.348
37 HA MET 6 HA MET 6 5.438 -9.175 -0.796
38 HB MET 6 2HB MET 6 7.070 -10.036 1.108
39 HB MET 6 QB MET 6 7.070 -10.036 1.108
40 HG MET 6 2HG MET 6 4.029 -10.240 1.333
41 HG MET 6 QG MET 6 4.029 -10.240 1.333
42 1HE MET 6 3HE MET 6 3.056 -9.474 3.368
43 2HE MET 6 1HE MET 6 3.331 -10.453 4.829
44 3HE MET 6 2HE MET 6 4.061 -8.836 4.691
45 H ASN 7 H ASN 7 7.342 -8.287 -1.604
46 HA ASN 7 HA ASN 7 9.368 -10.180 -2.457
47 HB ASN 7 2HB ASN 7 9.216 -7.994 -4.363
48 HB ASN 7 QB ASN 7 9.216 -7.994 -4.363
49 1HD2 ASN 7 2HD2 ASN 7 10.751 -10.720 -5.935
50 2HD2 ASN 7 1HD2 ASN 7 10.944 -9.220 -5.091
51 H VAL 8 H VAL 8 11.500 -8.945 -2.955
52 HA VAL 8 HA VAL 8 11.588 -6.388 -1.521
53 HB VAL 8 HB VAL 8 12.662 -8.860 -0.674
54 1HG1 VAL 8 3HG1 VAL 8 14.529 -8.353 -2.283
55 2HG1 VAL 8 1HG1 VAL 8 14.882 -6.896 -1.324
56 3HG1 VAL 8 2HG1 VAL 8 15.035 -8.508 -0.583
57 1HG2 VAL 8 3HG2 VAL 8 11.834 -6.708 0.560
58 2HG2 VAL 8 1HG2 VAL 8 13.104 -7.714 1.298
59 3HG2 VAL 8 2HG2 VAL 8 13.539 -6.210 0.452
60 H LYS 9 H LYS 9 13.005 -4.837 -2.392
61 HA LYS 9 HA LYS 9 14.664 -5.636 -4.624
62 HB LYS 9 2HB LYS 9 13.463 -4.763 -6.294
63 HB LYS 9 QB LYS 9 13.463 -4.763 -6.294
64 HG LYS 9 2HG LYS 9 10.953 -4.284 -5.637
65 HG LYS 9 QG LYS 9 10.953 -4.284 -5.637
66 HD LYS 9 2HD LYS 9 11.205 -7.008 -4.792
67 HD LYS 9 QD LYS 9 11.205 -7.008 -4.792
68 HE LYS 9 2HE LYS 9 10.159 -5.454 -7.017
69 HE LYS 9 QE LYS 9 10.159 -5.454 -7.017
70 1HZ LYS 9 1HZ LYS 9 10.438 -7.308 -8.657
71 2HZ LYS 9 2HZ LYS 9 11.822 -6.497 -8.378
72 H GLU 10 H GLU 10 16.577 -4.922 -3.814
73 HA GLU 10 HA GLU 10 18.107 -3.570 -3.079
74 HB GLU 10 2HB GLU 10 16.161 -1.551 -4.206
75 HB GLU 10 QB GLU 10 16.161 -1.551 -4.206
76 HG GLU 10 2HG GLU 10 18.418 -1.028 -2.331
77 HG GLU 10 QG GLU 10 18.418 -1.028 -2.331
78 HE2 GLU 10 HE GLU 10 19.839 1.618 -3.667
79 H SER 11 H SER 11 14.816 -3.163 -1.886
80 HA SER 11 HA SER 11 15.334 -3.432 0.690
81 HB SER 11 2HB SER 11 16.453 -1.623 1.449
82 HB SER 11 QB SER 11 16.453 -1.623 1.449
83 HG SER 11 HG SER 11 15.882 -0.380 -1.107
84 H VAL 12 H VAL 12 13.487 -2.489 -1.961
85 HA VAL 12 HA VAL 12 11.221 -1.502 -0.469
86 HB VAL 12 HB VAL 12 11.921 -0.671 -2.722
87 1HG1 VAL 12 1HG1 VAL 12 12.284 -3.197 -3.473
88 2HG1 VAL 12 2HG1 VAL 12 10.590 -3.030 -3.993
89 3HG1 VAL 12 3HG1 VAL 12 11.831 -1.929 -4.637
90 1HG2 VAL 12 3HG2 VAL 12 9.625 -0.382 -1.760
91 2HG2 VAL 12 1HG2 VAL 12 9.675 -0.381 -3.540
92 3HG2 VAL 12 2HG2 VAL 12 9.117 -1.827 -2.665
93 H LEU 13 H LEU 13 9.612 -2.738 0.368
94 HA LEU 13 HA LEU 13 9.707 -5.587 -0.278
95 HB LEU 13 2HB LEU 13 9.469 -5.881 1.886
96 HB LEU 13 QB LEU 13 9.469 -5.881 1.886
97 HG LEU 13 HG LEU 13 10.307 -3.314 1.950
98 1HD1 LEU 13 3HD1 LEU 13 7.716 -2.768 1.996
99 2HD1 LEU 13 1HD1 LEU 13 7.925 -3.076 3.735
100 3HD1 LEU 13 2HD1 LEU 13 8.893 -1.816 2.933
101 1HD2 LEU 13 3HD2 LEU 13 10.561 -5.390 3.561
102 2HD2 LEU 13 1HD2 LEU 13 10.956 -3.740 4.103
103 3HD2 LEU 13 2HD2 LEU 13 9.399 -4.475 4.552
104 H CYS 14 H CYS 14 8.536 -5.917 -2.132
105 HA CYS 14 HA CYS 14 6.202 -4.407 -2.675
106 HB CYS 14 2HB CYS 14 6.193 -5.436 -4.725
107 HB CYS 14 QB CYS 14 6.193 -5.436 -4.725
108 HG CYS 14 HG CYS 14 8.365 -5.228 -5.717
109 H ILE 15 H ILE 15 4.051 -4.928 -2.216
110 HA ILE 15 HA ILE 15 3.606 -7.543 -0.957
111 HB ILE 15 HB ILE 15 3.064 -4.819 0.045
112 HG1 ILE 15 2HG1 ILE 15 3.439 -7.506 1.401
113 HG1 ILE 15 QG1 ILE 15 3.439 -7.506 1.401
114 1HG2 ILE 15 1HG2 ILE 15 0.991 -6.999 0.084
115 2HG2 ILE 15 2HG2 ILE 15 1.115 -5.828 1.418
116 3HG2 ILE 15 3HG2 ILE 15 0.802 -5.259 -0.239
117 1HD1 ILE 15 2HD1 ILE 15 5.296 -5.460 0.304
118 2HD1 ILE 15 3HD1 ILE 15 5.617 -5.928 1.990
119 3HD1 ILE 15 1HD1 ILE 15 5.595 -7.166 0.712
120 H ARG 16 H ARG 16 2.706 -8.584 -2.718
121 HA ARG 16 HA ARG 16 0.683 -7.154 -4.178
122 HB ARG 16 2HB ARG 16 1.014 -9.957 -4.960
123 HB ARG 16 QB ARG 16 1.014 -9.957 -4.960
124 HG ARG 16 2HG ARG 16 0.766 -7.362 -6.156
125 HG ARG 16 QG ARG 16 0.766 -7.362 -6.156
126 HD ARG 16 2HD ARG 16 3.319 -8.857 -6.855
127 HD ARG 16 QD ARG 16 3.319 -8.857 -6.855
128 HE ARG 16 HE ARG 16 1.511 -7.507 -8.738
129 1HH1 ARG 16 2HH2 ARG 16 4.866 -8.431 -8.074
130 2HH1 ARG 16 1HH2 ARG 16 5.351 -8.338 -9.734
131 HH2 ARG 16 1HH ARG 16 3.738 -7.721 -11.395
132 H LEU 17 H LEU 17 -1.321 -7.147 -3.170
133 HA LEU 17 HA LEU 17 -2.129 -9.574 -1.763
134 HB LEU 17 2HB LEU 17 -4.062 -7.608 -1.392
135 HB LEU 17 QB LEU 17 -4.062 -7.608 -1.392
136 HG LEU 17 HG LEU 17 -3.321 -7.413 0.853
137 1HD1 LEU 17 3HD1 LEU 17 -4.240 -9.627 0.127
138 2HD1 LEU 17 1HD1 LEU 17 -2.566 -10.221 0.015
139 3HD1 LEU 17 2HD1 LEU 17 -3.216 -9.685 1.582
140 1HD2 LEU 17 1HD2 LEU 17 -0.640 -8.168 -0.252
141 2HD2 LEU 17 2HD2 LEU 17 -1.091 -6.852 0.857
142 3HD2 LEU 17 3HD2 LEU 17 -1.025 -8.530 1.447
143 H THR 18 H THR 18 -3.668 -10.933 -2.553
144 HA THR 18 HA THR 18 -5.253 -9.951 -4.829
145 HB THR 18 HB THR 18 -4.926 -12.490 -5.571
146 HG1 THR 18 1HG THR 18 -3.175 -13.413 -4.503
147 1HG2 THR 18 2HG2 THR 18 -3.519 -10.079 -6.201
148 2HG2 THR 18 3HG2 THR 18 -2.278 -11.331 -5.956
149 3HG2 THR 18 1HG2 THR 18 -3.564 -11.577 -7.162
150 H GLY 19 H GLY 19 -7.332 -9.879 -4.279
151 1HA GLY 19 1HA GLY 19 -8.975 -11.877 -3.680
152 2HA GLY 19 2HA GLY 19 -8.279 -11.567 -2.102
153 H GLU 20 H GLU 20 -9.455 -10.201 -0.841
154 HA GLU 20 HA GLU 20 -10.865 -8.066 -2.241
155 HB GLU 20 2HB GLU 20 -12.284 -8.542 0.144
156 HB GLU 20 QB GLU 20 -12.284 -8.542 0.144
157 HG GLU 20 2HG GLU 20 -12.862 -8.228 -2.522
158 HG GLU 20 QG GLU 20 -12.862 -8.228 -2.522
159 HE1 GLU 20 HE GLU 20 -11.978 -10.220 -3.803
160 H LEU 21 H LEU 21 -11.243 -6.083 -0.897
161 HA LEU 21 HA LEU 21 -9.141 -5.834 1.142
162 HB LEU 21 2HB LEU 21 -9.725 -3.283 0.219
163 HB LEU 21 QB LEU 21 -9.725 -3.283 0.219
164 HG LEU 21 HG LEU 21 -7.484 -3.496 0.482
165 1HD1 LEU 21 3HD1 LEU 21 -7.868 -6.311 -0.475
166 2HD1 LEU 21 1HD1 LEU 21 -6.241 -5.590 -0.483
167 3HD1 LEU 21 2HD1 LEU 21 -7.156 -5.704 1.039
168 1HD2 LEU 21 2HD2 LEU 21 -8.246 -3.485 -2.305
169 2HD2 LEU 21 3HD2 LEU 21 -6.943 -2.600 -1.475
170 3HD2 LEU 21 1HD2 LEU 21 -6.650 -4.244 -2.091
171 H ASP 22 H ASP 22 -10.292 -6.226 3.013
172 HA ASP 22 HA ASP 22 -12.203 -4.191 3.658
173 HB ASP 22 2HB ASP 22 -14.059 -5.483 3.531
174 HB ASP 22 QB ASP 22 -14.059 -5.483 3.531
175 HD2 ASP 22 HD ASP 22 -13.441 -8.958 2.100
176 H HIS 23 H HIS 23 -12.876 -4.558 6.126
177 HA HIS 23 HA HIS 23 -10.688 -4.531 7.694
178 HB HIS 23 2HB HIS 23 -13.219 -4.042 8.155
179 HB HIS 23 QB HIS 23 -13.219 -4.042 8.155
180 HD1 HIS 23 1HD HIS 23 -12.548 -6.584 10.797
181 HD2 HIS 23 2HD HIS 23 -15.052 -6.155 7.458
182 HE1 HIS 23 1HE HIS 23 -14.339 -8.389 11.010
183 H HIS 24 H HIS 24 -12.239 -7.322 6.231
184 HA HIS 24 HA HIS 24 -11.104 -9.204 8.046
185 HB HIS 24 2HB HIS 24 -11.821 -10.812 6.152
186 HB HIS 24 QB HIS 24 -11.821 -10.812 6.152
187 HD1 HIS 24 1HD HIS 24 -12.987 -11.801 8.241
188 HD2 HIS 24 2HD HIS 24 -14.807 -8.321 6.767
189 HE1 HIS 24 1HE HIS 24 -15.236 -11.611 9.432
190 H THR 25 H THR 25 -10.415 -8.141 4.644
191 HA THR 25 HA THR 25 -7.967 -9.675 4.628
192 HB THR 25 HB THR 25 -8.072 -9.295 2.327
193 HG1 THR 25 1HG THR 25 -7.714 -7.007 2.480
194 1HG2 THR 25 3HG2 THR 25 -10.563 -9.749 3.340
195 2HG2 THR 25 1HG2 THR 25 -10.828 -8.131 2.645
196 3HG2 THR 25 2HG2 THR 25 -10.280 -9.469 1.605
197 H ALA 26 H ALA 26 -9.016 -6.360 5.293
198 HA ALA 26 HA ALA 26 -6.531 -5.125 4.918
199 1HB ALA 26 2HB ALA 26 -9.141 -4.533 6.223
200 2HB ALA 26 3HB ALA 26 -7.743 -3.610 6.826
201 3HB ALA 26 1HB ALA 26 -8.172 -3.548 5.100
202 H GLU 27 H GLU 27 -7.596 -7.480 7.193
203 HA GLU 27 HA GLU 27 -6.204 -6.634 9.439
204 HB GLU 27 2HB GLU 27 -6.316 -9.556 9.122
205 HB GLU 27 QB GLU 27 -6.316 -9.556 9.122
206 HG GLU 27 2HG GLU 27 -6.513 -7.758 11.191
207 HG GLU 27 QG GLU 27 -6.513 -7.758 11.191
208 HE2 GLU 27 HE GLU 27 -8.656 -6.993 12.574
209 H THR 28 H THR 28 -5.288 -8.903 6.758
210 HA THR 28 HA THR 28 -2.843 -9.717 7.615
211 HB THR 28 HB THR 28 -4.366 -9.848 5.288
212 HG1 THR 28 1HG THR 28 -1.548 -10.452 5.859
213 1HG2 THR 28 2HG2 THR 28 -1.686 -8.490 4.681
214 2HG2 THR 28 3HG2 THR 28 -2.745 -9.257 3.474
215 3HG2 THR 28 1HG2 THR 28 -3.290 -7.801 4.339
216 H LEU 29 H LEU 29 -3.558 -6.615 5.891
217 HA LEU 29 HA LEU 29 -0.857 -5.779 6.020
218 HB LEU 29 2HB LEU 29 -3.027 -3.782 5.762
219 HB LEU 29 QB LEU 29 -3.027 -3.782 5.762
220 HG LEU 29 HG LEU 29 -0.912 -2.973 5.097
221 1HD1 LEU 29 2HD1 LEU 29 -0.520 -5.716 4.070
222 2HD1 LEU 29 3HD1 LEU 29 0.191 -4.417 3.082
223 3HD1 LEU 29 1HD1 LEU 29 0.638 -4.576 4.797
224 1HD2 LEU 29 1HD2 LEU 29 -2.871 -2.577 3.537
225 2HD2 LEU 29 2HD2 LEU 29 -1.248 -2.336 2.847
226 3HD2 LEU 29 3HD2 LEU 29 -2.160 -3.819 2.478
227 H LYS 30 H LYS 30 -3.588 -5.751 8.237
228 HA LYS 30 HA LYS 30 -2.919 -3.596 9.827
229 HB LYS 30 2HB LYS 30 -4.033 -6.166 10.938
230 HB LYS 30 QB LYS 30 -4.033 -6.166 10.938
231 HG LYS 30 2HG LYS 30 -5.609 -4.322 11.933
232 HG LYS 30 QG LYS 30 -5.609 -4.322 11.933
233 HD LYS 30 2HD LYS 30 -4.085 -3.932 13.801
234 HD LYS 30 QD LYS 30 -4.085 -3.932 13.801
235 HE LYS 30 2HE LYS 30 -3.025 -6.575 12.848
236 HE LYS 30 QE LYS 30 -3.025 -6.575 12.848
237 1HZ LYS 30 1HZ LYS 30 -4.504 -6.801 15.140
238 2HZ LYS 30 2HZ LYS 30 -2.885 -6.629 15.084
239 H GLN 31 H GLN 31 -1.715 -7.000 9.877
240 HA GLN 31 HA GLN 31 -0.062 -6.471 12.114
241 HB GLN 31 2HB GLN 31 -0.823 -8.722 11.856
242 HB GLN 31 QB GLN 31 -0.823 -8.722 11.856
243 HG GLN 31 2HG GLN 31 0.261 -8.478 9.020
244 HG GLN 31 QG GLN 31 0.261 -8.478 9.020
245 1HE2 GLN 31 2HE2 GLN 31 -0.984 -12.222 9.275
246 2HE2 GLN 31 1HE2 GLN 31 -1.939 -10.793 9.067
247 H LYS 32 H LYS 32 0.289 -6.501 8.552
248 HA LYS 32 HA LYS 32 3.075 -6.465 8.455
249 HB LYS 32 2HB LYS 32 1.006 -5.352 6.538
250 HB LYS 32 QB LYS 32 1.006 -5.352 6.538
251 HG LYS 32 2HG LYS 32 3.258 -4.392 6.105
252 HG LYS 32 QG LYS 32 3.258 -4.392 6.105
253 HD LYS 32 2HD LYS 32 4.056 -7.288 6.430
254 HD LYS 32 QD LYS 32 4.056 -7.288 6.430
255 HE LYS 32 2HE LYS 32 5.738 -5.288 4.863
256 HE LYS 32 QE LYS 32 5.738 -5.288 4.863
257 1HZ LYS 32 1HZ LYS 32 7.010 -7.063 5.755
258 2HZ LYS 32 2HZ LYS 32 5.891 -8.195 5.415
259 H VAL 33 H VAL 33 0.860 -4.189 9.746
260 HA VAL 33 HA VAL 33 2.261 -1.820 9.080
261 HB VAL 33 HB VAL 33 0.377 -2.405 11.372
262 1HG1 VAL 33 3HG1 VAL 33 1.906 -0.167 11.013
263 2HG1 VAL 33 1HG1 VAL 33 0.422 0.276 10.136
264 3HG1 VAL 33 2HG1 VAL 33 0.334 -0.200 11.848
265 1HG2 VAL 33 2HG2 VAL 33 -0.068 -2.155 8.479
266 2HG2 VAL 33 3HG2 VAL 33 -1.127 -2.809 9.752
267 3HG2 VAL 33 1HG2 VAL 33 -1.072 -1.056 9.454
268 H THR 34 H THR 34 2.081 -3.819 12.113
269 HA THR 34 HA THR 34 4.006 -2.388 13.515
270 HB THR 34 HB THR 34 2.607 -3.910 14.715
271 HG1 THR 34 1HG THR 34 5.079 -5.393 14.205
272 1HG2 THR 34 1HG2 THR 34 3.525 -5.971 12.652
273 2HG2 THR 34 2HG2 THR 34 2.764 -6.432 14.193
274 3HG2 THR 34 3HG2 THR 34 1.856 -5.465 13.006
275 H GLN 35 H GLN 35 4.357 -5.062 11.146
276 HA GLN 35 HA GLN 35 7.030 -5.533 11.634
277 HB GLN 35 2HB GLN 35 7.024 -6.479 9.285
278 HB GLN 35 QB GLN 35 7.024 -6.479 9.285
279 HG GLN 35 2HG GLN 35 5.039 -7.147 11.425
280 HG GLN 35 QG GLN 35 5.039 -7.147 11.425
281 1HE2 GLN 35 1HE2 GLN 35 3.040 -7.605 10.929
282 2HE2 GLN 35 2HE2 GLN 35 2.473 -8.456 9.531
283 H SER 36 H SER 36 5.380 -3.184 9.446
284 HA SER 36 HA SER 36 7.838 -2.278 8.372
285 HB SER 36 2HB SER 36 5.413 -0.533 8.225
286 HB SER 36 QB SER 36 5.413 -0.533 8.225
287 HG SER 36 HG SER 36 7.537 -0.573 6.863
288 H LEU 37 H LEU 37 5.883 -1.605 11.210
289 HA LEU 37 HA LEU 37 6.479 1.030 11.710
290 HB LEU 37 2HB LEU 37 6.538 -0.443 14.151
291 HB LEU 37 QB LEU 37 6.538 -0.443 14.151
292 HG LEU 37 HG LEU 37 4.591 0.655 14.706
293 1HD1 LEU 37 2HD1 LEU 37 6.475 2.200 13.856
294 2HD1 LEU 37 3HD1 LEU 37 5.398 2.507 12.474
295 3HD1 LEU 37 1HD1 LEU 37 4.859 2.893 14.126
296 1HD2 LEU 37 1HD2 LEU 37 3.836 0.323 11.821
297 2HD2 LEU 37 2HD2 LEU 37 2.960 -0.158 13.294
298 3HD2 LEU 37 3HD2 LEU 37 3.028 1.555 12.819
299 H GLU 38 H GLU 38 8.493 -1.896 12.036
300 HA GLU 38 HA GLU 38 10.806 -0.307 12.058
301 HB GLU 38 2HB GLU 38 11.489 -1.528 14.389
302 HB GLU 38 QB GLU 38 11.489 -1.528 14.389
303 HG GLU 38 2HG GLU 38 9.871 1.002 14.644
304 HG GLU 38 QG GLU 38 9.871 1.002 14.644
305 HE2 GLU 38 HE GLU 38 10.756 2.211 16.123
306 H LYS 39 H LYS 39 10.917 -1.782 10.163
307 HA LYS 39 HA LYS 39 11.055 -4.579 10.566
308 HB LYS 39 2HB LYS 39 11.965 -2.851 8.246
309 HB LYS 39 QB LYS 39 11.965 -2.851 8.246
310 HG LYS 39 2HG LYS 39 11.067 -5.618 7.750
311 HG LYS 39 QG LYS 39 11.067 -5.618 7.750
312 HD LYS 39 2HD LYS 39 12.110 -4.296 5.985
313 HD LYS 39 QD LYS 39 12.110 -4.296 5.985
314 HE LYS 39 2HE LYS 39 13.922 -3.528 8.153
315 HE LYS 39 QE LYS 39 13.922 -3.528 8.153
316 1HZ LYS 39 1HZ LYS 39 15.721 -4.629 7.344
317 2HZ LYS 39 2HZ LYS 39 15.057 -4.939 5.889
318 H ASP 40 H ASP 40 13.506 -1.947 10.196
319 HA ASP 40 HA ASP 40 15.262 -2.998 11.958
320 HB ASP 40 2HB ASP 40 17.004 -3.707 9.981
321 HB ASP 40 QB ASP 40 17.004 -3.707 9.981
322 HD1 ASP 40 HD ASP 40 16.433 -6.141 12.600
323 H ASP 41 H ASP 41 16.523 -2.396 8.668
324 HA ASP 41 HA ASP 41 17.700 0.023 9.561
325 HB ASP 41 2HB ASP 41 17.589 -1.319 6.819
326 HB ASP 41 QB ASP 41 17.589 -1.319 6.819
327 HD2 ASP 41 HD ASP 41 19.566 -0.179 5.299
328 H ILE 42 H ILE 42 16.820 0.182 6.221
329 HA ILE 42 HA ILE 42 14.309 1.548 6.685
330 HB ILE 42 HB ILE 42 16.857 2.918 6.017
331 HG1 ILE 42 2HG1 ILE 42 15.639 4.782 7.212
332 HG1 ILE 42 QG1 ILE 42 15.639 4.782 7.212
333 1HG2 ILE 42 1HG2 ILE 42 14.251 3.429 4.607
334 2HG2 ILE 42 2HG2 ILE 42 15.383 4.760 4.942
335 3HG2 ILE 42 3HG2 ILE 42 15.906 3.376 3.952
336 1HD1 ILE 42 3HD1 ILE 42 13.370 3.295 6.748
337 2HD1 ILE 42 1HD1 ILE 42 13.779 2.792 8.406
338 3HD1 ILE 42 2HD1 ILE 42 13.519 4.513 8.037
339 H ARG 43 H ARG 43 13.312 -0.088 5.472
340 HA ARG 43 HA ARG 43 14.400 -0.610 2.869
341 HB ARG 43 2HB ARG 43 11.960 -1.981 3.056
342 HB ARG 43 QB ARG 43 11.960 -1.981 3.056
343 HG ARG 43 2HG ARG 43 14.316 -3.286 4.350
344 HG ARG 43 QG ARG 43 14.316 -3.286 4.350
345 HD ARG 43 2HD ARG 43 13.646 -4.507 1.892
346 HD ARG 43 QD ARG 43 13.646 -4.507 1.892
347 HE ARG 43 HE ARG 43 12.317 -5.388 4.385
348 1HH1 ARG 43 2HH2 ARG 43 15.234 -5.491 2.377
349 2HH1 ARG 43 1HH2 ARG 43 15.857 -6.918 3.135
350 HH2 ARG 43 1HH ARG 43 14.608 -7.947 4.904
351 H HIS 44 H HIS 44 11.935 -1.166 1.464
352 HA HIS 44 HA HIS 44 10.589 1.423 1.476
353 HB HIS 44 2HB HIS 44 10.653 1.412 -1.023
354 HB HIS 44 QB HIS 44 10.653 1.412 -1.023
355 HD1 HIS 44 1HD HIS 44 11.650 3.539 0.669
356 HD2 HIS 44 2HD HIS 44 14.332 0.904 -1.190
357 HE1 HIS 44 1HE HIS 44 13.904 4.734 0.613
358 H ILE 45 H ILE 45 8.446 1.342 0.351
359 HA ILE 45 HA ILE 45 7.312 -1.340 0.680
360 HB ILE 45 HB ILE 45 5.154 -0.099 0.868
361 HG1 ILE 45 2HG1 ILE 45 6.578 2.428 1.499
362 HG1 ILE 45 QG1 ILE 45 6.578 2.428 1.499
363 1HG2 ILE 45 3HG2 ILE 45 7.393 0.271 2.851
364 2HG2 ILE 45 1HG2 ILE 45 5.741 0.842 3.187
365 3HG2 ILE 45 2HG2 ILE 45 6.040 -0.886 2.881
366 1HD1 ILE 45 3HD1 ILE 45 7.562 1.743 -0.717
367 2HD1 ILE 45 1HD1 ILE 45 5.908 1.608 -1.364
368 3HD1 ILE 45 2HD1 ILE 45 6.528 3.189 -0.825
369 H VAL 46 H VAL 46 5.579 -1.976 -0.876
370 HA VAL 46 HA VAL 46 5.458 -0.563 -3.357
371 HB VAL 46 HB VAL 46 7.299 -2.843 -2.977
372 1HG1 VAL 46 2HG1 VAL 46 5.473 -3.927 -4.237
373 2HG1 VAL 46 3HG1 VAL 46 5.577 -2.651 -5.473
374 3HG1 VAL 46 1HG1 VAL 46 6.949 -3.756 -5.217
375 1HG2 VAL 46 3HG2 VAL 46 7.801 -0.394 -3.674
376 2HG2 VAL 46 1HG2 VAL 46 8.620 -1.716 -4.541
377 3HG2 VAL 46 2HG2 VAL 46 7.224 -0.896 -5.281
378 H LEU 47 H LEU 47 3.222 -0.567 -2.623
379 HA LEU 47 HA LEU 47 1.944 -3.137 -2.349
380 HB LEU 47 2HB LEU 47 -0.106 -1.542 -2.212
381 HB LEU 47 QB LEU 47 -0.106 -1.542 -2.212
382 HG LEU 47 HG LEU 47 0.435 -2.467 -0.154
383 1HD1 LEU 47 3HD1 LEU 47 2.872 -2.666 -0.631
384 2HD1 LEU 47 1HD1 LEU 47 3.072 -0.978 -0.102
385 3HD1 LEU 47 2HD1 LEU 47 2.497 -2.210 1.048
386 1HD2 LEU 47 2HD2 LEU 47 0.707 0.524 -0.080
387 2HD2 LEU 47 3HD2 LEU 47 -0.649 -0.508 0.430
388 3HD2 LEU 47 1HD2 LEU 47 0.831 -0.432 1.416
389 H ASN 48 H ASN 48 0.189 -3.876 -3.729
390 HA ASN 48 HA ASN 48 -0.484 -2.573 -6.070
391 HB ASN 48 2HB ASN 48 1.852 -4.487 -6.229
392 HB ASN 48 QB ASN 48 1.852 -4.487 -6.229
393 1HD2 ASN 48 2HD2 ASN 48 -1.111 -4.762 -9.105
394 2HD2 ASN 48 1HD2 ASN 48 -1.102 -3.514 -7.904
395 H LEU 49 H LEU 49 -2.596 -3.378 -5.979
396 HA LEU 49 HA LEU 49 -2.897 -6.253 -5.473
397 HB LEU 49 2HB LEU 49 -4.051 -4.036 -4.226
398 HB LEU 49 QB LEU 49 -4.051 -4.036 -4.226
399 HG LEU 49 HG LEU 49 -5.937 -5.245 -6.191
400 1HD1 LEU 49 3HD1 LEU 49 -6.365 -5.666 -3.439
401 2HD1 LEU 49 1HD1 LEU 49 -7.443 -4.330 -3.912
402 3HD1 LEU 49 2HD1 LEU 49 -7.520 -5.884 -4.776
403 1HD2 LEU 49 3HD2 LEU 49 -5.171 -2.618 -5.219
404 2HD2 LEU 49 1HD2 LEU 49 -6.038 -3.084 -6.702
405 3HD2 LEU 49 2HD2 LEU 49 -6.937 -2.844 -5.185
406 H GLU 50 H GLU 50 -3.387 -7.489 -7.197
407 HA GLU 50 HA GLU 50 -4.375 -6.102 -9.540
408 HB GLU 50 2HB GLU 50 -3.825 -8.945 -9.923
409 HB GLU 50 QB GLU 50 -3.825 -8.945 -9.923
410 HG GLU 50 2HG GLU 50 -3.192 -6.314 -11.114
411 HG GLU 50 QG GLU 50 -3.192 -6.314 -11.114
412 HE2 GLU 50 HE GLU 50 -0.102 -8.386 -12.344
413 H ASP 51 H ASP 51 -5.378 -8.203 -6.946
414 HA ASP 51 HA ASP 51 -7.700 -9.030 -8.477
415 HB ASP 51 2HB ASP 51 -6.535 -9.929 -5.807
416 HB ASP 51 QB ASP 51 -6.535 -9.929 -5.807
417 HD1 ASP 51 HD ASP 51 -10.033 -10.051 -5.610
418 H LEU 52 H LEU 52 -8.300 -6.569 -8.241
419 HA LEU 52 HA LEU 52 -9.254 -5.920 -5.566
420 HB LEU 52 2HB LEU 52 -8.832 -4.321 -8.083
421 HB LEU 52 QB LEU 52 -8.832 -4.321 -8.083
422 HG LEU 52 HG LEU 52 -9.458 -2.313 -6.940
423 1HD1 LEU 52 2HD1 LEU 52 -11.229 -3.955 -8.018
424 2HD1 LEU 52 3HD1 LEU 52 -11.852 -4.001 -6.352
425 3HD1 LEU 52 1HD1 LEU 52 -11.722 -2.447 -7.212
426 1HD2 LEU 52 2HD2 LEU 52 -8.784 -3.158 -4.656
427 2HD2 LEU 52 3HD2 LEU 52 -10.261 -2.167 -4.715
428 3HD2 LEU 52 1HD2 LEU 52 -10.382 -3.936 -4.563
429 H SER 53 H SER 53 -11.338 -6.203 -4.980
430 HA SER 53 HA SER 53 -13.284 -6.272 -7.141
431 HB SER 53 2HB SER 53 -12.622 -8.417 -5.191
432 HB SER 53 QB SER 53 -12.622 -8.417 -5.191
433 HG SER 53 HG SER 53 -15.327 -7.552 -5.689
434 H PHE 54 H PHE 54 -13.759 -7.033 -3.658
435 HA PHE 54 HA PHE 54 -15.824 -5.168 -3.398
436 HB PHE 54 2HB PHE 54 -13.974 -6.682 -1.469
437 HB PHE 54 QB PHE 54 -13.974 -6.682 -1.469
438 HD1 PHE 54 1HD PHE 54 -16.398 -4.029 -1.634
439 HD2 PHE 54 2HD PHE 54 -14.854 -7.103 0.851
440 HE1 PHE 54 1HE PHE 54 -17.393 -2.902 0.376
441 HE2 PHE 54 2HE PHE 54 -15.848 -5.975 2.862
442 HZ PHE 54 HZ PHE 54 -17.106 -3.889 2.600
443 H MET 55 H MET 55 -12.527 -5.171 -1.848
444 HA MET 55 HA MET 55 -11.433 -3.534 -0.872
445 HB MET 55 2HB MET 55 -11.834 -2.987 -3.709
446 HB MET 55 QB MET 55 -11.834 -2.987 -3.709
447 HG MET 55 2HG MET 55 -10.892 -0.514 -3.365
448 HG MET 55 QG MET 55 -10.892 -0.514 -3.365
449 1HE MET 55 2HE MET 55 -12.218 -2.143 -5.294
450 2HE MET 55 3HE MET 55 -13.547 -2.937 -4.417
451 3HE MET 55 1HE MET 55 -13.908 -1.786 -5.725
452 H ASP 56 H ASP 56 -12.516 -2.798 0.962
453 HA ASP 56 HA ASP 56 -14.442 -0.667 0.482
454 HB ASP 56 2HB ASP 56 -14.071 -2.628 2.784
455 HB ASP 56 QB ASP 56 -14.071 -2.628 2.784
456 HD2 ASP 56 HD ASP 56 -16.857 0.189 3.333
457 H SER 57 H SER 57 -14.467 0.910 2.572
458 HA SER 57 HA SER 57 -11.909 2.038 2.685
459 HB SER 57 2HB SER 57 -14.110 2.710 4.653
460 HB SER 57 QB SER 57 -14.110 2.710 4.653
461 HG SER 57 HG SER 57 -12.487 4.177 4.856
462 H SER 58 H SER 58 -13.104 -0.707 4.175
463 HA SER 58 HA SER 58 -12.423 -0.427 6.812
464 HB SER 58 2HB SER 58 -12.401 -2.848 6.897
465 HB SER 58 QB SER 58 -12.401 -2.848 6.897
466 HG SER 58 HG SER 58 -14.299 -3.364 5.668
467 H GLY 59 H GLY 59 -10.424 -1.366 3.952
468 1HA GLY 59 1HA GLY 59 -8.040 -1.658 5.590
469 2HA GLY 59 2HA GLY 59 -8.196 -1.914 3.862
470 H LEU 60 H LEU 60 -9.797 0.926 4.181
471 HA LEU 60 HA LEU 60 -7.897 2.476 2.969
472 HB LEU 60 2HB LEU 60 -9.781 3.903 4.726
473 HB LEU 60 QB LEU 60 -9.781 3.903 4.726
474 HG LEU 60 HG LEU 60 -10.642 4.625 2.384
475 1HD1 LEU 60 1HD1 LEU 60 -9.251 5.935 4.080
476 2HD1 LEU 60 2HD1 LEU 60 -7.844 5.522 3.070
477 3HD1 LEU 60 3HD1 LEU 60 -9.187 6.466 2.382
478 1HD2 LEU 60 3HD2 LEU 60 -9.290 2.730 1.288
479 2HD2 LEU 60 1HD2 LEU 60 -9.273 4.334 0.518
480 3HD2 LEU 60 2HD2 LEU 60 -7.884 3.802 1.494
481 H GLY 61 H GLY 61 -8.588 2.052 6.482
482 1HA GLY 61 1HA GLY 61 -6.572 3.964 7.251
483 2HA GLY 61 2HA GLY 61 -7.524 2.925 8.294
484 H VAL 62 H VAL 62 -6.870 0.412 6.822
485 HA VAL 62 HA VAL 62 -4.538 -0.252 8.244
486 HB VAL 62 HB VAL 62 -6.636 -1.570 7.066
487 1HG1 VAL 62 1HG1 VAL 62 -4.125 -2.164 5.469
488 2HG1 VAL 62 2HG1 VAL 62 -5.565 -3.210 5.504
489 3HG1 VAL 62 3HG1 VAL 62 -5.681 -1.556 4.855
490 1HG2 VAL 62 3HG2 VAL 62 -4.711 -2.093 8.939
491 2HG2 VAL 62 1HG2 VAL 62 -5.949 -3.253 8.402
492 3HG2 VAL 62 2HG2 VAL 62 -4.319 -3.293 7.685
493 H ILE 63 H ILE 63 -5.142 1.138 5.072
494 HA ILE 63 HA ILE 63 -2.489 0.435 4.140
495 HB ILE 63 HB ILE 63 -4.981 1.528 2.970
496 HG1 ILE 63 2HG1 ILE 63 -3.232 -0.766 2.678
497 HG1 ILE 63 QG1 ILE 63 -3.232 -0.766 2.678
498 1HG2 ILE 63 3HG2 ILE 63 -2.263 2.486 2.214
499 2HG2 ILE 63 1HG2 ILE 63 -3.398 2.086 0.901
500 3HG2 ILE 63 2HG2 ILE 63 -3.842 3.303 2.121
501 1HD1 ILE 63 2HD1 ILE 63 -6.045 0.082 2.109
502 2HD1 ILE 63 3HD1 ILE 63 -5.408 -1.256 1.123
503 3HD1 ILE 63 1HD1 ILE 63 -5.439 -1.394 2.898
504 H LEU 64 H LEU 64 -4.335 3.182 5.479
505 HA LEU 64 HA LEU 64 -2.454 5.163 4.852
506 HB LEU 64 2HB LEU 64 -4.171 5.304 7.293
507 HB LEU 64 QB LEU 64 -4.171 5.304 7.293
508 HG LEU 64 HG LEU 64 -3.818 7.481 7.059
509 1HD1 LEU 64 1HD1 LEU 64 -1.737 6.753 5.802
510 2HD1 LEU 64 2HD1 LEU 64 -2.621 7.142 4.306
511 3HD1 LEU 64 3HD1 LEU 64 -2.304 8.415 5.510
512 1HD2 LEU 64 3HD2 LEU 64 -5.659 6.847 4.902
513 2HD2 LEU 64 1HD2 LEU 64 -5.660 8.208 6.048
514 3HD2 LEU 64 2HD2 LEU 64 -4.701 8.306 4.551
515 H GLY 65 H GLY 65 -2.835 2.917 7.641
516 1HA GLY 65 1HA GLY 65 -0.942 3.984 9.351
517 2HA GLY 65 2HA GLY 65 -1.381 2.293 9.235
518 H ARG 66 H ARG 66 -0.546 1.988 6.392
519 HA ARG 66 HA ARG 66 2.126 1.357 6.918
520 HB ARG 66 2HB ARG 66 1.544 1.427 4.061
521 HB ARG 66 QB ARG 66 1.544 1.427 4.061
522 HG ARG 66 2HG ARG 66 1.548 -1.117 4.448
523 HG ARG 66 QG ARG 66 1.548 -1.117 4.448
524 HD ARG 66 2HD ARG 66 4.020 -0.697 5.715
525 HD ARG 66 QD ARG 66 4.020 -0.697 5.715
526 HE ARG 66 HE ARG 66 3.878 -0.257 2.806
527 1HH1 ARG 66 2HH2 ARG 66 3.822 -2.657 5.412
528 2HH1 ARG 66 1HH2 ARG 66 4.275 -3.972 4.379
529 HH2 ARG 66 1HH ARG 66 4.653 -3.557 2.049
530 H TYR 67 H TYR 67 0.445 3.936 5.033
531 HA TYR 67 HA TYR 67 2.603 5.043 3.737
532 HB TYR 67 2HB TYR 67 0.516 6.778 5.098
533 HB TYR 67 QB TYR 67 0.516 6.778 5.098
534 HD1 TYR 67 1HD TYR 67 0.428 5.502 1.626
535 HD2 TYR 67 2HD TYR 67 1.546 8.750 4.176
536 HE1 TYR 67 1HE TYR 67 0.773 6.989 -0.408
537 HE2 TYR 67 2HE TYR 67 1.886 10.226 2.133
538 HH TYR 67 HH TYR 67 1.373 10.411 -0.057
539 H LYS 68 H LYS 68 1.369 5.693 7.080
540 HA LYS 68 HA LYS 68 3.601 7.494 7.520
541 HB LYS 68 2HB LYS 68 2.435 8.294 9.349
542 HB LYS 68 QB LYS 68 2.435 8.294 9.349
543 HG LYS 68 2HG LYS 68 0.001 8.378 8.721
544 HG LYS 68 QG LYS 68 0.001 8.378 8.721
545 HD LYS 68 2HD LYS 68 0.455 9.067 6.218
546 HD LYS 68 QD LYS 68 0.455 9.067 6.218
547 HE LYS 68 2HE LYS 68 1.484 11.157 6.936
548 HE LYS 68 QE LYS 68 1.484 11.157 6.936
549 1HZ LYS 68 1HZ LYS 68 0.072 10.372 9.381
550 2HZ LYS 68 2HZ LYS 68 -0.100 11.725 8.492
551 H GLN 69 H GLN 69 3.934 4.530 7.007
552 HA GLN 69 HA GLN 69 5.194 3.919 9.568
553 HB GLN 69 2HB GLN 69 4.847 1.550 7.945
554 HB GLN 69 QB GLN 69 4.847 1.550 7.945
555 HG GLN 69 2HG GLN 69 5.049 1.508 10.392
556 HG GLN 69 QG GLN 69 5.049 1.508 10.392
557 1HE2 GLN 69 1HE2 GLN 69 1.640 1.759 10.531
558 2HE2 GLN 69 2HE2 GLN 69 1.503 3.172 11.523
559 H ILE 70 H ILE 70 5.398 3.819 5.981
560 HA ILE 70 HA ILE 70 8.163 2.953 6.137
561 HB ILE 70 HB ILE 70 6.665 1.949 4.498
562 HG1 ILE 70 2HG1 ILE 70 8.753 3.632 3.092
563 HG1 ILE 70 QG1 ILE 70 8.753 3.632 3.092
564 1HG2 ILE 70 2HG2 ILE 70 5.626 4.485 4.177
565 2HG2 ILE 70 3HG2 ILE 70 6.550 4.234 2.677
566 3HG2 ILE 70 1HG2 ILE 70 5.287 3.072 3.149
567 1HD1 ILE 70 3HD1 ILE 70 8.978 1.381 5.078
568 2HD1 ILE 70 1HD1 ILE 70 10.072 1.370 3.674
569 3HD1 ILE 70 2HD1 ILE 70 10.074 2.754 4.793
570 H LYS 71 H LYS 71 6.197 5.861 5.765
571 HA LYS 71 HA LYS 71 8.454 7.392 4.803
572 HB LYS 71 2HB LYS 71 6.339 9.115 5.468
573 HB LYS 71 QB LYS 71 6.339 9.115 5.468
574 HG LYS 71 2HG LYS 71 6.645 7.817 2.747
575 HG LYS 71 QG LYS 71 6.645 7.817 2.747
576 HD LYS 71 2HD LYS 71 5.040 9.766 3.242
577 HD LYS 71 QD LYS 71 5.040 9.766 3.242
578 HE LYS 71 2HE LYS 71 7.679 11.299 3.418
579 HE LYS 71 QE LYS 71 7.679 11.299 3.418
580 1HZ LYS 71 1HZ LYS 71 6.111 13.138 3.899
581 2HZ LYS 71 2HZ LYS 71 5.895 12.559 2.392
582 H GLN 72 H GLN 72 6.512 6.899 7.787
583 HA GLN 72 HA GLN 72 7.844 8.948 9.184
584 HB GLN 72 2HB GLN 72 5.560 7.460 9.591
585 HB GLN 72 QB GLN 72 5.560 7.460 9.591
586 HG GLN 72 2HG GLN 72 7.614 6.611 11.688
587 HG GLN 72 QG GLN 72 7.614 6.611 11.688
588 1HE2 GLN 72 2HE2 GLN 72 4.899 4.777 13.336
589 2HE2 GLN 72 1HE2 GLN 72 6.443 4.464 12.618
590 H ILE 73 H ILE 73 8.732 5.764 8.200
591 HA ILE 73 HA ILE 73 10.498 5.302 10.436
592 HB ILE 73 HB ILE 73 9.328 3.438 9.471
593 HG1 ILE 73 2HG1 ILE 73 11.230 2.551 10.338
594 HG1 ILE 73 QG1 ILE 73 11.230 2.551 10.338
595 1HG2 ILE 73 3HG2 ILE 73 10.723 4.134 6.872
596 2HG2 ILE 73 1HG2 ILE 73 9.759 2.669 7.174
597 3HG2 ILE 73 2HG2 ILE 73 8.982 4.270 7.215
598 1HD1 ILE 73 2HD1 ILE 73 11.796 2.254 7.351
599 2HD1 ILE 73 3HD1 ILE 73 12.493 1.250 8.644
600 3HD1 ILE 73 1HD1 ILE 73 10.744 1.190 8.316
601 H GLY 74 H GLY 74 10.613 6.444 7.043
602 1HA GLY 74 1HA GLY 74 12.390 8.164 6.760
603 2HA GLY 74 2HA GLY 74 13.499 6.977 7.416
604 H GLY 75 H GLY 75 10.730 6.347 5.187
605 1HA GLY 75 1HA GLY 75 12.668 5.733 3.047
606 2HA GLY 75 2HA GLY 75 11.458 4.559 3.528
607 H GLU 76 H GLU 76 10.116 4.504 1.730
608 HA GLU 76 HA GLU 76 8.690 6.978 1.236
609 HB GLU 76 2HB GLU 76 9.051 7.003 -1.070
610 HB GLU 76 QB GLU 76 9.051 7.003 -1.070
611 HG GLU 76 2HG GLU 76 11.475 6.469 -1.510
612 HG GLU 76 QG GLU 76 11.475 6.469 -1.510
613 HE1 GLU 76 HE GLU 76 10.378 9.288 0.832
614 H MET 77 H MET 77 6.495 6.668 0.496
615 HA MET 77 HA MET 77 5.647 3.882 0.704
616 HB MET 77 2HB MET 77 5.019 5.612 2.589
617 HB MET 77 QB MET 77 5.019 5.612 2.589
618 HG MET 77 2HG MET 77 2.943 6.913 2.065
619 HG MET 77 QG MET 77 2.943 6.913 2.065
620 1HE MET 77 2HE MET 77 3.145 8.071 -0.787
621 2HE MET 77 3HE MET 77 3.700 9.695 -0.316
622 3HE MET 77 1HE MET 77 4.736 8.659 -1.328
623 H VAL 78 H VAL 78 4.663 3.073 -1.101
624 HA VAL 78 HA VAL 78 3.306 4.987 -2.854
625 HB VAL 78 HB VAL 78 4.998 2.739 -3.918
626 1HG1 VAL 78 2HG1 VAL 78 3.666 5.192 -5.056
627 2HG1 VAL 78 3HG1 VAL 78 5.049 4.440 -5.886
628 3HG1 VAL 78 1HG1 VAL 78 3.567 3.498 -5.595
629 1HG2 VAL 78 2HG2 VAL 78 5.873 5.489 -3.057
630 2HG2 VAL 78 3HG2 VAL 78 6.678 3.918 -2.826
631 3HG2 VAL 78 1HG2 VAL 78 6.661 4.681 -4.434
632 H VAL 79 H VAL 79 1.647 3.960 -4.236
633 HA VAL 79 HA VAL 79 0.950 1.241 -3.663
634 HB VAL 79 HB VAL 79 0.111 2.370 -1.664
635 1HG1 VAL 79 3HG1 VAL 79 -1.327 4.122 -3.670
636 2HG1 VAL 79 1HG1 VAL 79 -1.883 3.946 -1.988
637 3HG1 VAL 79 2HG1 VAL 79 -0.265 4.606 -2.326
638 1HG2 VAL 79 2HG2 VAL 79 -2.002 1.399 -3.613
639 2HG2 VAL 79 3HG2 VAL 79 -1.119 0.444 -2.397
640 3HG2 VAL 79 1HG2 VAL 79 -2.298 1.674 -1.880
641 H CYS 80 H CYS 80 -0.059 0.385 -5.434
642 HA CYS 80 HA CYS 80 -1.271 2.305 -7.279
643 HB CYS 80 2HB CYS 80 0.995 1.693 -8.093
644 HB CYS 80 QB CYS 80 0.995 1.693 -8.093
645 HG CYS 80 HG CYS 80 0.419 -0.883 -6.811
646 H ALA 81 H ALA 81 -2.242 0.484 -9.167
647 HA ALA 81 HA ALA 81 -3.775 -1.070 -9.562
648 1HB ALA 81 3HB ALA 81 -2.299 -2.136 -7.335
649 2HB ALA 81 1HB ALA 81 -4.024 -2.513 -7.109
650 3HB ALA 81 2HB ALA 81 -3.192 -3.013 -8.601
651 H ILE 82 H ILE 82 -5.106 0.970 -9.509
652 HA ILE 82 HA ILE 82 -6.952 0.903 -7.224
653 HB ILE 82 HB ILE 82 -5.477 2.956 -7.632
654 HG1 ILE 82 2HG1 ILE 82 -8.428 2.887 -7.139
655 HG1 ILE 82 QG1 ILE 82 -8.428 2.887 -7.139
656 1HG2 ILE 82 1HG2 ILE 82 -6.545 2.768 -10.200
657 2HG2 ILE 82 2HG2 ILE 82 -7.397 4.144 -9.458
658 3HG2 ILE 82 3HG2 ILE 82 -5.619 4.126 -9.516
659 1HD1 ILE 82 1HD1 ILE 82 -6.763 2.258 -5.378
660 2HD1 ILE 82 2HD1 ILE 82 -6.027 3.871 -5.530
661 3HD1 ILE 82 3HD1 ILE 82 -7.697 3.707 -4.936
662 H SER 83 H SER 83 -8.652 2.823 -8.970
663 HA SER 83 HA SER 83 -9.393 1.613 -11.283
664 HB SER 83 2HB SER 83 -10.200 0.027 -9.021
665 HB SER 83 QB SER 83 -10.200 0.027 -9.021
666 HG SER 83 HG SER 83 -12.501 -0.139 -9.660
667 HA PRO 84 HA PRO 84 -12.152 4.979 -11.128
668 HB PRO 84 2HB PRO 84 -12.671 4.832 -13.366
669 HB PRO 84 QB PRO 84 -12.671 4.832 -13.366
670 HG PRO 84 2HG PRO 84 -12.431 2.725 -14.274
671 HG PRO 84 QG PRO 84 -12.431 2.725 -14.274
672 HD PRO 84 2HD PRO 84 -10.899 1.825 -12.815
673 HD PRO 84 QD PRO 84 -10.899 1.825 -12.815
674 H ALA 85 H ALA 85 -12.864 2.248 -9.544
675 HA ALA 85 HA ALA 85 -15.142 3.581 -8.273
676 1HB ALA 85 1HB ALA 85 -15.007 0.869 -9.538
677 2HB ALA 85 2HB ALA 85 -15.908 1.025 -8.010
678 3HB ALA 85 3HB ALA 85 -16.370 2.007 -9.421
679 H VAL 86 H VAL 86 -12.141 3.271 -7.777
680 HA VAL 86 HA VAL 86 -12.448 2.185 -5.078
681 HB VAL 86 HB VAL 86 -10.430 1.427 -7.169
682 1HG1 VAL 86 3HG1 VAL 86 -9.850 2.021 -4.386
683 2HG1 VAL 86 1HG1 VAL 86 -9.544 0.307 -4.755
684 3HG1 VAL 86 2HG1 VAL 86 -8.745 1.579 -5.710
685 1HG2 VAL 86 2HG2 VAL 86 -12.654 0.160 -6.014
686 2HG2 VAL 86 3HG2 VAL 86 -11.403 -0.579 -7.044
687 3HG2 VAL 86 1HG2 VAL 86 -11.235 -0.616 -5.271
688 H LYS 87 H LYS 87 -10.791 4.289 -7.453
689 HA LYS 87 HA LYS 87 -9.184 5.565 -5.476
690 HB LYS 87 2HB LYS 87 -9.159 5.368 -8.232
691 HB LYS 87 QB LYS 87 -9.159 5.368 -8.232
692 HG LYS 87 2HG LYS 87 -9.802 8.243 -7.415
693 HG LYS 87 QG LYS 87 -9.802 8.243 -7.415
694 HD LYS 87 2HD LYS 87 -9.748 8.038 -10.206
695 HD LYS 87 QD LYS 87 -9.748 8.038 -10.206
696 HE LYS 87 2HE LYS 87 -7.452 8.906 -8.384
697 HE LYS 87 QE LYS 87 -7.452 8.906 -8.384
698 1HZ LYS 87 1HZ LYS 87 -7.959 10.450 -10.714
699 2HZ LYS 87 2HZ LYS 87 -6.572 9.724 -10.268
700 H ARG 88 H ARG 88 -12.509 5.590 -6.161
701 HA ARG 88 HA ARG 88 -12.993 8.325 -5.822
702 HB ARG 88 2HB ARG 88 -14.541 6.446 -6.792
703 HB ARG 88 QB ARG 88 -14.541 6.446 -6.792
704 HG ARG 88 2HG ARG 88 -16.242 5.745 -4.970
705 HG ARG 88 QG ARG 88 -16.242 5.745 -4.970
706 HD ARG 88 2HD ARG 88 -13.696 4.377 -4.251
707 HD ARG 88 QD ARG 88 -13.696 4.377 -4.251
708 HE ARG 88 HE ARG 88 -15.621 2.806 -5.646
709 1HH1 ARG 88 2HH2 ARG 88 -15.386 4.708 -2.666
710 2HH1 ARG 88 1HH2 ARG 88 -16.574 3.769 -1.826
711 HH2 ARG 88 1HH ARG 88 -17.622 1.929 -2.946
712 H LEU 89 H LEU 89 -12.349 5.622 -3.653
713 HA LEU 89 HA LEU 89 -13.607 6.609 -1.351
714 HB LEU 89 2HB LEU 89 -11.391 5.130 -0.536
715 HB LEU 89 QB LEU 89 -11.391 5.130 -0.536
716 HG LEU 89 HG LEU 89 -14.138 4.115 -1.317
717 1HD1 LEU 89 3HD1 LEU 89 -12.291 2.381 -1.212
718 2HD1 LEU 89 1HD1 LEU 89 -12.168 2.752 0.524
719 3HD1 LEU 89 2HD1 LEU 89 -13.689 2.114 -0.144
720 1HD2 LEU 89 3HD2 LEU 89 -14.238 5.841 0.399
721 2HD2 LEU 89 1HD2 LEU 89 -14.633 4.246 1.084
722 3HD2 LEU 89 2HD2 LEU 89 -13.033 4.967 1.374
723 H PHE 90 H PHE 90 -10.286 7.031 -2.708
724 HA PHE 90 HA PHE 90 -9.595 8.784 -0.526
725 HB PHE 90 2HB PHE 90 -7.411 8.768 -1.693
726 HB PHE 90 QB PHE 90 -7.411 8.768 -1.693
727 HD1 PHE 90 2HD PHE 90 -8.903 5.870 -3.391
728 HD2 PHE 90 1HD PHE 90 -6.846 7.230 0.063
729 HE1 PHE 90 2HE PHE 90 -8.417 3.494 -2.743
730 HE2 PHE 90 1HE PHE 90 -6.360 4.854 0.711
731 HZ PHE 90 HZ PHE 90 -7.153 3.014 -0.701
732 H ASP 91 H ASP 91 -10.978 8.993 -3.741
733 HA ASP 91 HA ASP 91 -10.070 11.576 -4.324
734 HB ASP 91 2HB ASP 91 -12.694 10.951 -5.465
735 HB ASP 91 QB ASP 91 -12.694 10.951 -5.465
736 HD2 ASP 91 HD ASP 91 -11.751 10.793 -8.390
737 H MET 92 H MET 92 -12.851 10.141 -2.575
738 HA MET 92 HA MET 92 -14.172 12.676 -2.367
739 HB MET 92 2HB MET 92 -14.705 9.886 -1.214
740 HB MET 92 QB MET 92 -14.705 9.886 -1.214
741 HG MET 92 2HG MET 92 -15.944 12.511 -0.589
742 HG MET 92 QG MET 92 -15.944 12.511 -0.589
743 1HE MET 92 3HE MET 92 -17.486 9.553 0.448
744 2HE MET 92 1HE MET 92 -19.187 9.721 -0.049
745 3HE MET 92 2HE MET 92 -18.056 8.780 -1.050
746 H SER 93 H SER 93 -12.036 10.577 -0.448
747 HA SER 93 HA SER 93 -12.582 11.745 2.022
748 HB SER 93 2HB SER 93 -9.883 10.582 1.274
749 HB SER 93 QB SER 93 -9.883 10.582 1.274
750 HG SER 93 HG SER 93 -9.741 10.277 3.389
751 H GLY 94 H GLY 94 -10.285 12.493 -0.640
752 1HA GLY 94 1HA GLY 94 -9.329 14.500 -1.135
753 2HA GLY 94 2HA GLY 94 -9.977 15.189 0.340
754 H LEU 95 H LEU 95 -8.438 12.164 0.944
755 HA LEU 95 HA LEU 95 -6.029 13.598 1.822
756 HB LEU 95 2HB LEU 95 -6.953 11.006 3.004
757 HB LEU 95 QB LEU 95 -6.953 11.006 3.004
758 HG LEU 95 HG LEU 95 -4.894 11.615 3.941
759 1HD1 LEU 95 3HD1 LEU 95 -5.904 14.449 3.798
760 2HD1 LEU 95 1HD1 LEU 95 -4.553 13.997 4.864
761 3HD1 LEU 95 2HD1 LEU 95 -4.424 13.740 3.108
762 1HD2 LEU 95 2HD2 LEU 95 -7.041 12.754 5.752
763 2HD2 LEU 95 3HD2 LEU 95 -6.540 11.050 5.637
764 3HD2 LEU 95 1HD2 LEU 95 -5.404 12.272 6.256
765 H PHE 96 H PHE 96 -7.029 12.000 -0.767
766 HA PHE 96 HA PHE 96 -5.626 9.703 -1.072
767 HB PHE 96 2HB PHE 96 -5.422 11.663 -3.326
768 HB PHE 96 QB PHE 96 -5.422 11.663 -3.326
769 HD1 PHE 96 1HD PHE 96 -5.078 8.552 -2.471
770 HD2 PHE 96 2HD PHE 96 -7.801 10.779 -4.845
771 HE1 PHE 96 1HE PHE 96 -5.581 6.497 -3.822
772 HE2 PHE 96 2HE PHE 96 -8.305 8.724 -6.195
773 HZ PHE 96 HZ PHE 96 -7.189 6.608 -5.668
774 H LYS 97 H LYS 97 -4.391 13.062 -1.085
775 HA LYS 97 HA LYS 97 -1.897 12.520 -2.211
776 HB LYS 97 2HB LYS 97 -1.299 14.686 -1.514
777 HB LYS 97 QB LYS 97 -1.299 14.686 -1.514
778 HG LYS 97 2HG LYS 97 -3.868 14.199 -2.622
779 HG LYS 97 QG LYS 97 -3.868 14.199 -2.622
780 HD LYS 97 2HD LYS 97 -4.326 15.329 -0.126
781 HD LYS 97 QD LYS 97 -4.326 15.329 -0.126
782 HE LYS 97 2HE LYS 97 -3.162 17.438 -0.944
783 HE LYS 97 QE LYS 97 -3.162 17.438 -0.944
784 1HZ LYS 97 1HZ LYS 97 -4.583 17.006 -3.229
785 2HZ LYS 97 2HZ LYS 97 -5.426 18.214 -2.535
786 H ILE 98 H ILE 98 -3.291 11.736 0.901
787 HA ILE 98 HA ILE 98 -0.697 11.379 2.130
788 HB ILE 98 HB ILE 98 -3.217 12.006 3.055
789 HG1 ILE 98 2HG1 ILE 98 -2.041 12.599 4.865
790 HG1 ILE 98 QG1 ILE 98 -2.041 12.599 4.865
791 1HG2 ILE 98 2HG2 ILE 98 -2.596 9.124 3.731
792 2HG2 ILE 98 3HG2 ILE 98 -3.703 10.146 4.679
793 3HG2 ILE 98 1HG2 ILE 98 -4.063 9.784 2.973
794 1HD1 ILE 98 1HD1 ILE 98 -0.940 9.753 4.912
795 2HD1 ILE 98 2HD1 ILE 98 -0.553 10.998 6.123
796 3HD1 ILE 98 3HD1 ILE 98 -2.225 10.416 5.950
797 H ILE 99 H ILE 99 -2.658 9.701 -0.065
798 HA ILE 99 HA ILE 99 -1.543 7.141 0.850
799 HB ILE 99 HB ILE 99 -4.210 7.932 -0.031
800 HG1 ILE 99 2HG1 ILE 99 -2.903 5.842 1.648
801 HG1 ILE 99 QG1 ILE 99 -2.903 5.842 1.648
802 1HG2 ILE 99 3HG2 ILE 99 -2.889 5.541 -1.339
803 2HG2 ILE 99 1HG2 ILE 99 -4.646 5.813 -1.269
804 3HG2 ILE 99 2HG2 ILE 99 -3.602 6.961 -2.140
805 1HD1 ILE 99 2HD1 ILE 99 -5.258 7.760 1.880
806 2HD1 ILE 99 3HD1 ILE 99 -4.901 6.517 3.103
807 3HD1 ILE 99 1HD1 ILE 99 -3.721 7.809 2.776
808 H ARG 100 H ARG 100 -1.461 9.660 -1.490
809 HA ARG 100 HA ARG 100 -0.834 9.712 -3.616
810 HB ARG 100 2HB ARG 100 1.478 8.332 -2.172
811 HB ARG 100 QB ARG 100 1.478 8.332 -2.172
812 HG ARG 100 2HG ARG 100 1.184 9.126 -5.012
813 HG ARG 100 QG ARG 100 1.184 9.126 -5.012
814 HD ARG 100 2HD ARG 100 3.764 9.834 -4.845
815 HD ARG 100 QD ARG 100 3.764 9.834 -4.845
816 HE ARG 100 HE ARG 100 1.445 11.283 -5.304
817 1HH1 ARG 100 2HH2 ARG 100 4.498 12.008 -3.660
818 2HH1 ARG 100 1HH2 ARG 100 4.430 13.702 -4.013
819 HH2 ARG 100 1HH ARG 100 2.571 14.567 -5.254
820 H PHE 101 H PHE 101 -2.255 8.340 -4.828
821 HA PHE 101 HA PHE 101 -1.235 5.620 -5.256
822 HB PHE 101 2HB PHE 101 -3.998 6.406 -6.116
823 HB PHE 101 QB PHE 101 -3.998 6.406 -6.116
824 HD1 PHE 101 1HD PHE 101 -3.713 4.167 -7.190
825 HD2 PHE 101 2HD PHE 101 -3.610 4.665 -2.977
826 HE1 PHE 101 1HE PHE 101 -4.119 1.708 -6.889
827 HE2 PHE 101 2HE PHE 101 -4.015 2.206 -2.677
828 HZ PHE 101 HZ PHE 101 -4.264 0.758 -4.636
829 H GLU 102 H GLU 102 -2.016 4.752 -7.531
830 HA GLU 102 HA GLU 102 -2.113 6.823 -9.506
831 HB GLU 102 2HB GLU 102 0.034 4.850 -10.103
832 HB GLU 102 QB GLU 102 0.034 4.850 -10.103
833 HG GLU 102 2HG GLU 102 1.001 6.677 -11.242
834 HG GLU 102 QG GLU 102 1.001 6.677 -11.242
835 HE2 GLU 102 HE GLU 102 -1.884 5.955 -12.944
836 H GLN 103 H GLN 103 -1.118 4.756 -11.557
837 HA GLN 103 HA GLN 103 -3.108 2.700 -11.269
838 HB GLN 103 2HB GLN 103 -4.219 3.175 -13.390
839 HB GLN 103 QB GLN 103 -4.219 3.175 -13.390
840 HG GLN 103 2HG GLN 103 -3.964 5.657 -11.627
841 HG GLN 103 QG GLN 103 -3.964 5.657 -11.627
842 1HE2 GLN 103 2HE2 GLN 103 -6.568 7.363 -13.255
843 2HE2 GLN 103 1HE2 GLN 103 -5.670 7.143 -11.791
844 H SER 104 H SER 104 -1.479 1.122 -11.278
845 HA SER 104 HA SER 104 0.097 -0.167 -12.037
846 HB SER 104 2HB SER 104 -1.246 0.631 -14.637
847 HB SER 104 QB SER 104 -1.246 0.631 -14.637
848 HG SER 104 HG SER 104 0.952 -0.014 -15.141
849 H GLU 105 H GLU 105 -0.017 2.638 -14.364
850 HA GLU 105 HA GLU 105 2.486 2.714 -15.196
851 HB GLU 105 2HB GLU 105 0.799 5.077 -14.267
852 HB GLU 105 QB GLU 105 0.799 5.077 -14.267
853 HG GLU 105 2HG GLU 105 3.439 4.913 -15.717
854 HG GLU 105 QG GLU 105 3.439 4.913 -15.717
855 HE2 GLU 105 HE GLU 105 3.120 7.855 -15.788
856 H GLN 106 H GLN 106 1.397 3.313 -11.887
857 HA GLN 106 HA GLN 106 3.778 4.604 -11.083
858 HB GLN 106 2HB GLN 106 1.352 3.466 -9.696
859 HB GLN 106 QB GLN 106 1.352 3.466 -9.696
860 HG GLN 106 2HG GLN 106 4.050 4.029 -8.471
861 HG GLN 106 QG GLN 106 4.050 4.029 -8.471
862 1HE2 GLN 106 2HE2 GLN 106 2.529 6.710 -6.682
863 2HE2 GLN 106 1HE2 GLN 106 3.435 6.306 -8.102
864 H GLN 107 H GLN 107 2.879 1.328 -11.752
865 HA GLN 107 HA GLN 107 4.007 -0.266 -10.031
866 HB GLN 107 2HB GLN 107 4.685 -0.409 -13.001
867 HB GLN 107 QB GLN 107 4.685 -0.409 -13.001
868 HG GLN 107 2HG GLN 107 5.372 -2.127 -10.886
869 HG GLN 107 QG GLN 107 5.372 -2.127 -10.886
870 1HE2 GLN 107 2HE2 GLN 107 3.006 -4.525 -10.150
871 2HE2 GLN 107 1HE2 GLN 107 4.471 -3.678 -9.778
872 H ALA 108 H ALA 108 5.772 2.106 -12.009
873 HA ALA 108 HA ALA 108 8.345 1.038 -11.303
874 1HB ALA 108 2HB ALA 108 7.504 2.407 -13.427
875 2HB ALA 108 3HB ALA 108 7.934 3.800 -12.407
876 3HB ALA 108 1HB ALA 108 9.165 2.582 -12.816
877 H LEU 109 H LEU 109 6.504 4.095 -10.591
878 HA LEU 109 HA LEU 109 8.311 5.008 -8.677
879 HB LEU 109 2HB LEU 109 5.608 5.853 -8.145
880 HB LEU 109 QB LEU 109 5.608 5.853 -8.145
881 HG LEU 109 HG LEU 109 7.950 7.245 -9.470
882 1HD1 LEU 109 2HD1 LEU 109 5.200 7.979 -9.499
883 2HD1 LEU 109 3HD1 LEU 109 6.057 9.093 -8.407
884 3HD1 LEU 109 1HD1 LEU 109 6.608 8.895 -10.088
885 1HD2 LEU 109 1HD2 LEU 109 7.289 6.672 -6.723
886 2HD2 LEU 109 2HD2 LEU 109 8.737 7.449 -7.406
887 3HD2 LEU 109 3HD2 LEU 109 7.308 8.429 -7.002
888 H LEU 110 H LEU 110 5.793 2.543 -8.582
889 HA LEU 110 HA LEU 110 5.218 2.517 -5.887
890 HB LEU 110 2HB LEU 110 5.442 0.175 -7.783
891 HB LEU 110 QB LEU 110 5.442 0.175 -7.783
892 HG LEU 110 HG LEU 110 5.024 -0.277 -5.252
893 1HD1 LEU 110 2HD1 LEU 110 3.311 1.654 -5.202
894 2HD1 LEU 110 3HD1 LEU 110 2.193 0.481 -5.939
895 3HD1 LEU 110 1HD1 LEU 110 2.921 0.140 -4.350
896 1HD2 LEU 110 2HD2 LEU 110 4.663 -1.811 -7.259
897 2HD2 LEU 110 3HD2 LEU 110 3.740 -2.173 -5.780
898 3HD2 LEU 110 1HD2 LEU 110 2.944 -1.363 -7.151
899 H THR 111 H THR 111 8.019 1.174 -7.692
900 HA THR 111 HA THR 111 9.113 -0.291 -5.575
901 HB THR 111 HB THR 111 9.917 0.779 -8.245
902 HG1 THR 111 1HG THR 111 9.132 -1.437 -7.460
903 1HG2 THR 111 1HG2 THR 111 11.837 1.465 -6.626
904 2HG2 THR 111 2HG2 THR 111 12.041 -0.278 -6.325
905 3HG2 THR 111 3HG2 THR 111 12.276 0.376 -7.963
906 H LEU 112 H LEU 112 8.404 2.958 -5.584
907 HA LEU 112 HA LEU 112 8.858 4.285 -3.769
908 HB LEU 112 2HB LEU 112 10.371 2.213 -2.997
909 HB LEU 112 QB LEU 112 10.371 2.213 -2.997
910 HG LEU 112 HG LEU 112 12.300 3.769 -4.328
911 1HD1 LEU 112 1HD1 LEU 112 12.086 4.497 -1.460
912 2HD1 LEU 112 2HD1 LEU 112 13.718 4.136 -2.072
913 3HD1 LEU 112 3HD1 LEU 112 12.742 5.412 -2.840
914 1HD2 LEU 112 3HD2 LEU 112 12.204 1.382 -2.582
915 2HD2 LEU 112 1HD2 LEU 112 12.935 1.612 -4.188
916 3HD2 LEU 112 2HD2 LEU 112 13.789 2.177 -2.732
917 H GLY 113 H GLY 113 9.324 4.371 -6.741
918 1HA GLY 113 1HA GLY 113 9.955 6.035 -8.140
919 2HA GLY 113 2HA GLY 113 10.659 6.904 -6.791
920 H VAL 114 H VAL 114 11.207 3.980 -8.871
921 HA VAL 114 HA VAL 114 13.105 2.910 -9.379
922 HB VAL 114 HB VAL 114 12.841 5.153 -10.752
923 1HG1 VAL 114 3HG1 VAL 114 14.392 6.193 -8.819
924 2HG1 VAL 114 1HG1 VAL 114 15.666 5.634 -9.930
925 3HG1 VAL 114 2HG1 VAL 114 14.423 6.775 -10.500
926 1HG2 VAL 114 3HG2 VAL 114 14.916 3.017 -10.771
927 2HG2 VAL 114 1HG2 VAL 114 13.731 3.481 -12.015
928 3HG2 VAL 114 2HG2 VAL 114 15.216 4.437 -11.802
929 H ALA 115 H ALA 115 13.026 2.900 -6.693
930 HA ALA 115 HA ALA 115 14.178 3.184 -4.769
931 1HB ALA 115 2HB ALA 115 15.147 1.248 -6.414
932 2HB ALA 115 3HB ALA 115 16.628 2.197 -6.144
933 3HB ALA 115 1HB ALA 115 15.741 1.519 -4.757
934 H SER 116 H SER 116 14.079 5.676 -6.148
935 HA SER 116 HA SER 116 14.968 7.653 -5.997
936 HB SER 116 2HB SER 116 17.469 6.749 -4.587
937 HB SER 116 QB SER 116 17.469 6.749 -4.587
938 HG SER 116 HG SER 116 16.544 9.067 -4.949
No H/Q in entry = 795
Start of MODEL 7
1 H SER 1 H SER 1 -11.417 -15.695 -2.198
2 HA SER 1 HA SER 1 -10.307 -16.308 -0.438
3 HB SER 1 2HB SER 1 -8.519 -18.053 -0.622
4 HB SER 1 QB SER 1 -8.519 -18.053 -0.622
5 HG SER 1 HG SER 1 -10.264 -19.036 -2.562
6 H LEU 2 H LEU 2 -9.546 -14.245 0.192
7 HA LEU 2 HA LEU 2 -7.758 -12.622 -0.848
8 HB LEU 2 2HB LEU 2 -8.214 -13.431 2.000
9 HB LEU 2 QB LEU 2 -8.214 -13.431 2.000
10 HG LEU 2 HG LEU 2 -6.227 -11.388 1.021
11 1HD1 LEU 2 3HD1 LEU 2 -8.293 -10.759 2.791
12 2HD1 LEU 2 1HD1 LEU 2 -6.880 -11.075 3.827
13 3HD1 LEU 2 2HD1 LEU 2 -6.781 -9.857 2.532
14 1HD2 LEU 2 3HD2 LEU 2 -6.193 -13.782 2.737
15 2HD2 LEU 2 1HD2 LEU 2 -4.896 -13.026 1.780
16 3HD2 LEU 2 2HD2 LEU 2 -5.307 -12.381 3.387
17 H GLY 3 H GLY 3 -5.566 -12.422 -1.243
18 1HA GLY 3 1HA GLY 3 -3.966 -14.842 -0.666
19 2HA GLY 3 2HA GLY 3 -3.788 -13.830 -2.086
20 H ILE 4 H ILE 4 -1.510 -13.527 -1.542
21 HA ILE 4 HA ILE 4 -0.936 -11.147 -0.339
22 HB ILE 4 HB ILE 4 -1.708 -12.765 1.671
23 HG1 ILE 4 2HG1 ILE 4 -0.141 -11.225 3.096
24 HG1 ILE 4 QG1 ILE 4 -0.141 -11.225 3.096
25 1HG2 ILE 4 1HG2 ILE 4 0.215 -14.310 1.172
26 2HG2 ILE 4 2HG2 ILE 4 1.307 -13.008 1.700
27 3HG2 ILE 4 3HG2 ILE 4 0.135 -13.704 2.843
28 1HD1 ILE 4 1HD1 ILE 4 1.306 -10.732 1.010
29 2HD1 ILE 4 2HD1 ILE 4 -0.065 -9.753 0.436
30 3HD1 ILE 4 3HD1 ILE 4 0.759 -9.326 1.955
31 H ASP 5 H ASP 5 1.187 -10.582 -0.807
32 HA ASP 5 HA ASP 5 3.022 -12.723 -1.366
33 HB ASP 5 2HB ASP 5 3.107 -10.681 -3.490
34 HB ASP 5 QB ASP 5 3.107 -10.681 -3.490
35 HD2 ASP 5 HD ASP 5 3.000 -13.138 -5.792
36 H MET 6 H MET 6 5.236 -11.981 -1.141
37 HA MET 6 HA MET 6 5.524 -9.130 -0.636
38 HB MET 6 2HB MET 6 7.231 -10.014 1.222
39 HB MET 6 QB MET 6 7.231 -10.014 1.222
40 HG MET 6 2HG MET 6 4.192 -10.088 1.542
41 HG MET 6 QG MET 6 4.192 -10.088 1.542
42 1HE MET 6 2HE MET 6 3.095 -10.685 3.405
43 2HE MET 6 3HE MET 6 4.006 -12.213 3.356
44 3HE MET 6 1HE MET 6 3.773 -11.366 4.904
45 H ASN 7 H ASN 7 7.442 -8.221 -1.417
46 HA ASN 7 HA ASN 7 9.470 -10.084 -2.311
47 HB ASN 7 2HB ASN 7 9.233 -7.936 -4.255
48 HB ASN 7 QB ASN 7 9.233 -7.936 -4.255
49 1HD2 ASN 7 2HD2 ASN 7 10.831 -10.661 -5.778
50 2HD2 ASN 7 1HD2 ASN 7 10.998 -9.147 -4.952
51 H VAL 8 H VAL 8 11.543 -8.758 -2.948
52 HA VAL 8 HA VAL 8 11.602 -6.184 -1.553
53 HB VAL 8 HB VAL 8 12.758 -8.614 -0.660
54 1HG1 VAL 8 2HG1 VAL 8 14.624 -8.148 -2.210
55 2HG1 VAL 8 3HG1 VAL 8 14.854 -6.559 -1.443
56 3HG1 VAL 8 1HG1 VAL 8 15.129 -8.048 -0.506
57 1HG2 VAL 8 3HG2 VAL 8 11.814 -6.544 0.575
58 2HG2 VAL 8 1HG2 VAL 8 13.198 -7.403 1.293
59 3HG2 VAL 8 2HG2 VAL 8 13.457 -5.880 0.408
60 H LYS 9 H LYS 9 13.185 -4.690 -2.377
61 HA LYS 9 HA LYS 9 14.811 -5.495 -4.590
62 HB LYS 9 2HB LYS 9 13.583 -3.551 -5.967
63 HB LYS 9 QB LYS 9 13.583 -3.551 -5.967
64 HG LYS 9 2HG LYS 9 13.734 -6.385 -6.061
65 HG LYS 9 QG LYS 9 13.734 -6.385 -6.061
66 HD LYS 9 2HD LYS 9 10.925 -5.372 -5.971
67 HD LYS 9 QD LYS 9 10.925 -5.372 -5.971
68 HE LYS 9 2HE LYS 9 10.586 -7.540 -7.616
69 HE LYS 9 QE LYS 9 10.586 -7.540 -7.616
70 1HZ LYS 9 1HZ LYS 9 10.290 -5.759 -9.385
71 2HZ LYS 9 2HZ LYS 9 9.430 -5.527 -8.022
72 H GLU 10 H GLU 10 16.672 -4.594 -3.871
73 HA GLU 10 HA GLU 10 18.109 -3.093 -3.240
74 HB GLU 10 2HB GLU 10 15.956 -1.255 -4.305
75 HB GLU 10 QB GLU 10 15.956 -1.255 -4.305
76 HG GLU 10 2HG GLU 10 18.243 -0.533 -2.542
77 HG GLU 10 QG GLU 10 18.243 -0.533 -2.542
78 HE2 GLU 10 HE GLU 10 18.766 2.369 -3.654
79 H SER 11 H SER 11 14.825 -2.903 -1.947
80 HA SER 11 HA SER 11 15.384 -3.141 0.602
81 HB SER 11 2HB SER 11 16.559 -1.333 1.293
82 HB SER 11 QB SER 11 16.559 -1.333 1.293
83 HG SER 11 HG SER 11 15.726 0.394 -0.830
84 H VAL 12 H VAL 12 13.462 -2.321 -1.993
85 HA VAL 12 HA VAL 12 11.213 -1.339 -0.448
86 HB VAL 12 HB VAL 12 11.828 -0.429 -2.677
87 1HG1 VAL 12 1HG1 VAL 12 12.116 -3.078 -3.420
88 2HG1 VAL 12 2HG1 VAL 12 10.581 -2.611 -4.190
89 3HG1 VAL 12 3HG1 VAL 12 12.063 -1.683 -4.524
90 1HG2 VAL 12 3HG2 VAL 12 9.521 -0.287 -1.713
91 2HG2 VAL 12 1HG2 VAL 12 9.566 -0.248 -3.491
92 3HG2 VAL 12 2HG2 VAL 12 9.090 -1.740 -2.646
93 H LEU 13 H LEU 13 9.705 -2.643 0.455
94 HA LEU 13 HA LEU 13 9.817 -5.468 -0.270
95 HB LEU 13 2HB LEU 13 9.610 -5.823 1.888
96 HB LEU 13 QB LEU 13 9.610 -5.823 1.888
97 HG LEU 13 HG LEU 13 10.460 -3.248 1.973
98 1HD1 LEU 13 1HD1 LEU 13 7.885 -2.701 2.154
99 2HD1 LEU 13 2HD1 LEU 13 8.152 -3.096 3.869
100 3HD1 LEU 13 3HD1 LEU 13 9.093 -1.797 3.097
101 1HD2 LEU 13 1HD2 LEU 13 10.562 -5.459 3.597
102 2HD2 LEU 13 2HD2 LEU 13 11.366 -3.901 3.909
103 3HD2 LEU 13 3HD2 LEU 13 9.783 -4.250 4.646
104 H CYS 14 H CYS 14 8.581 -5.859 -2.056
105 HA CYS 14 HA CYS 14 6.228 -4.360 -2.557
106 HB CYS 14 2HB CYS 14 6.167 -5.412 -4.595
107 HB CYS 14 QB CYS 14 6.167 -5.412 -4.595
108 HG CYS 14 HG CYS 14 8.409 -5.688 -5.690
109 H ILE 15 H ILE 15 4.083 -4.909 -2.072
110 HA ILE 15 HA ILE 15 3.701 -7.502 -0.746
111 HB ILE 15 HB ILE 15 3.115 -4.762 0.194
112 HG1 ILE 15 2HG1 ILE 15 3.575 -7.400 1.618
113 HG1 ILE 15 QG1 ILE 15 3.575 -7.400 1.618
114 1HG2 ILE 15 2HG2 ILE 15 1.071 -6.942 0.197
115 2HG2 ILE 15 3HG2 ILE 15 1.233 -5.920 1.646
116 3HG2 ILE 15 1HG2 ILE 15 0.870 -5.178 0.070
117 1HD1 ILE 15 2HD1 ILE 15 5.369 -5.338 0.436
118 2HD1 ILE 15 3HD1 ILE 15 5.736 -5.781 2.120
119 3HD1 ILE 15 1HD1 ILE 15 5.706 -7.034 0.856
120 H ARG 16 H ARG 16 2.808 -8.592 -2.486
121 HA ARG 16 HA ARG 16 0.680 -7.234 -3.885
122 HB ARG 16 2HB ARG 16 1.127 -9.952 -4.814
123 HB ARG 16 QB ARG 16 1.127 -9.952 -4.814
124 HG ARG 16 2HG ARG 16 1.045 -7.209 -5.837
125 HG ARG 16 QG ARG 16 1.045 -7.209 -5.837
126 HD ARG 16 2HD ARG 16 3.360 -8.963 -6.605
127 HD ARG 16 QD ARG 16 3.360 -8.963 -6.605
128 HE ARG 16 HE ARG 16 1.473 -8.307 -8.592
129 1HH1 ARG 16 2HH2 ARG 16 4.902 -7.660 -7.981
130 2HH1 ARG 16 1HH2 ARG 16 5.304 -7.526 -9.661
131 HH2 ARG 16 1HH ARG 16 3.583 -7.807 -11.305
132 H LEU 17 H LEU 17 -1.311 -7.419 -2.885
133 HA LEU 17 HA LEU 17 -1.945 -10.023 -1.687
134 HB LEU 17 2HB LEU 17 -1.806 -7.924 -0.240
135 HB LEU 17 QB LEU 17 -1.806 -7.924 -0.240
136 HG LEU 17 HG LEU 17 -3.792 -6.592 -0.004
137 1HD1 LEU 17 3HD1 LEU 17 -1.995 -5.811 -1.543
138 2HD1 LEU 17 1HD1 LEU 17 -2.935 -6.466 -2.906
139 3HD1 LEU 17 2HD1 LEU 17 -3.606 -5.149 -1.914
140 1HD2 LEU 17 2HD2 LEU 17 -5.067 -8.627 -1.416
141 2HD2 LEU 17 3HD2 LEU 17 -5.786 -7.103 -0.843
142 3HD2 LEU 17 1HD2 LEU 17 -5.142 -7.216 -2.499
143 H THR 18 H THR 18 -3.701 -11.165 -2.427
144 HA THR 18 HA THR 18 -5.379 -9.803 -4.427
145 HB THR 18 HB THR 18 -5.333 -12.253 -5.468
146 HG1 THR 18 1HG THR 18 -3.541 -13.413 -4.708
147 1HG2 THR 18 2HG2 THR 18 -3.631 -9.921 -5.845
148 2HG2 THR 18 3HG2 THR 18 -2.658 -11.398 -6.046
149 3HG2 THR 18 1HG2 THR 18 -4.108 -11.144 -7.046
150 H GLY 19 H GLY 19 -7.374 -9.606 -3.640
151 1HA GLY 19 1HA GLY 19 -9.042 -11.685 -3.044
152 2HA GLY 19 2HA GLY 19 -8.300 -11.284 -1.507
153 H GLU 20 H GLU 20 -9.401 -9.819 -0.288
154 HA GLU 20 HA GLU 20 -10.902 -7.800 -1.765
155 HB GLU 20 2HB GLU 20 -12.139 -8.188 0.777
156 HB GLU 20 QB GLU 20 -12.139 -8.188 0.777
157 HG GLU 20 2HG GLU 20 -12.909 -7.820 -1.853
158 HG GLU 20 QG GLU 20 -12.909 -7.820 -1.853
159 HE2 GLU 20 HE GLU 20 -15.394 -9.660 -1.740
160 H LEU 21 H LEU 21 -11.400 -5.805 -0.324
161 HA LEU 21 HA LEU 21 -9.107 -5.355 1.457
162 HB LEU 21 2HB LEU 21 -9.842 -2.869 0.555
163 HB LEU 21 QB LEU 21 -9.842 -2.869 0.555
164 HG LEU 21 HG LEU 21 -7.782 -2.690 -0.388
165 1HD1 LEU 21 1HD1 LEU 21 -7.722 -3.987 1.879
166 2HD1 LEU 21 2HD1 LEU 21 -7.123 -5.329 0.876
167 3HD1 LEU 21 3HD1 LEU 21 -6.235 -3.788 0.922
168 1HD2 LEU 21 2HD2 LEU 21 -8.385 -4.133 -2.326
169 2HD2 LEU 21 3HD2 LEU 21 -6.689 -4.290 -1.808
170 3HD2 LEU 21 1HD2 LEU 21 -7.870 -5.550 -1.379
171 H ASP 22 H ASP 22 -10.463 -6.158 3.217
172 HA ASP 22 HA ASP 22 -12.263 -4.051 4.077
173 HB ASP 22 2HB ASP 22 -14.073 -5.419 4.165
174 HB ASP 22 QB ASP 22 -14.073 -5.419 4.165
175 HD1 ASP 22 HD ASP 22 -13.419 -6.705 1.068
176 H HIS 23 H HIS 23 -12.782 -4.478 6.580
177 HA HIS 23 HA HIS 23 -10.459 -4.414 7.990
178 HB HIS 23 2HB HIS 23 -12.960 -3.873 8.600
179 HB HIS 23 QB HIS 23 -12.960 -3.873 8.600
180 HD1 HIS 23 1HD HIS 23 -12.169 -6.239 11.340
181 HD2 HIS 23 2HD HIS 23 -14.783 -6.077 8.064
182 HE1 HIS 23 1HE HIS 23 -13.928 -8.043 11.739
183 H HIS 24 H HIS 24 -12.060 -7.167 6.583
184 HA HIS 24 HA HIS 24 -10.816 -9.038 8.381
185 HB HIS 24 2HB HIS 24 -11.809 -10.667 6.602
186 HB HIS 24 QB HIS 24 -11.809 -10.667 6.602
187 HD1 HIS 24 1HD HIS 24 -12.477 -11.540 9.002
188 HD2 HIS 24 2HD HIS 24 -14.769 -8.322 7.592
189 HE1 HIS 24 1HE HIS 24 -14.523 -11.401 10.520
190 H THR 25 H THR 25 -10.498 -7.917 4.960
191 HA THR 25 HA THR 25 -8.206 -9.617 4.540
192 HB THR 25 HB THR 25 -8.467 -8.947 2.289
193 HG1 THR 25 1HG THR 25 -8.180 -6.689 2.544
194 1HG2 THR 25 2HG2 THR 25 -10.847 -9.518 3.590
195 2HG2 THR 25 3HG2 THR 25 -11.193 -7.910 2.913
196 3HG2 THR 25 1HG2 THR 25 -10.712 -9.243 1.837
197 H ALA 26 H ALA 26 -8.875 -6.247 5.463
198 HA ALA 26 HA ALA 26 -6.241 -5.334 4.962
199 1HB ALA 26 2HB ALA 26 -8.774 -4.341 6.075
200 2HB ALA 26 3HB ALA 26 -7.346 -3.688 6.913
201 3HB ALA 26 1HB ALA 26 -7.518 -3.481 5.152
202 H GLU 27 H GLU 27 -7.735 -7.300 7.432
203 HA GLU 27 HA GLU 27 -6.053 -6.602 9.544
204 HB GLU 27 2HB GLU 27 -6.902 -9.394 9.635
205 HB GLU 27 QB GLU 27 -6.902 -9.394 9.635
206 HG GLU 27 2HG GLU 27 -6.813 -7.093 11.307
207 HG GLU 27 QG GLU 27 -6.813 -7.093 11.307
208 HE2 GLU 27 HE GLU 27 -9.335 -5.854 10.274
209 H THR 28 H THR 28 -5.951 -9.352 7.169
210 HA THR 28 HA THR 28 -3.711 -10.631 8.039
211 HB THR 28 HB THR 28 -5.146 -10.214 5.442
212 HG1 THR 28 1HG THR 28 -5.278 -12.483 5.810
213 1HG2 THR 28 1HG2 THR 28 -2.325 -11.391 5.651
214 2HG2 THR 28 2HG2 THR 28 -3.440 -11.718 4.302
215 3HG2 THR 28 3HG2 THR 28 -2.845 -10.064 4.583
216 H LEU 29 H LEU 29 -3.821 -7.730 5.882
217 HA LEU 29 HA LEU 29 -1.021 -7.595 5.630
218 HB LEU 29 2HB LEU 29 -2.615 -5.118 5.391
219 HB LEU 29 QB LEU 29 -2.615 -5.118 5.391
220 HG LEU 29 HG LEU 29 -0.473 -5.046 4.361
221 1HD1 LEU 29 3HD1 LEU 29 -1.055 -7.832 3.673
222 2HD1 LEU 29 1HD1 LEU 29 -0.327 -6.907 2.338
223 3HD1 LEU 29 2HD1 LEU 29 0.502 -7.004 3.911
224 1HD2 LEU 29 1HD2 LEU 29 -2.768 -4.493 3.009
225 2HD2 LEU 29 2HD2 LEU 29 -1.130 -4.105 2.432
226 3HD2 LEU 29 3HD2 LEU 29 -1.947 -5.582 1.864
227 H LYS 30 H LYS 30 -3.330 -6.568 8.104
228 HA LYS 30 HA LYS 30 -2.022 -4.545 9.345
229 HB LYS 30 2HB LYS 30 -3.212 -6.728 11.018
230 HB LYS 30 QB LYS 30 -3.212 -6.728 11.018
231 HG LYS 30 2HG LYS 30 -4.457 -4.599 11.845
232 HG LYS 30 QG LYS 30 -4.457 -4.599 11.845
233 HD LYS 30 2HD LYS 30 -1.746 -5.560 12.355
234 HD LYS 30 QD LYS 30 -1.746 -5.560 12.355
235 HE LYS 30 2HE LYS 30 -2.245 -2.654 13.122
236 HE LYS 30 QE LYS 30 -2.245 -2.654 13.122
237 1HZ LYS 30 1HZ LYS 30 -0.245 -4.633 13.687
238 2HZ LYS 30 2HZ LYS 30 0.414 -3.264 13.099
239 H GLN 31 H GLN 31 -1.312 -8.073 9.525
240 HA GLN 31 HA GLN 31 0.725 -7.696 11.438
241 HB GLN 31 2HB GLN 31 -0.619 -9.831 11.010
242 HB GLN 31 QB GLN 31 -0.619 -9.831 11.010
243 HG GLN 31 2HG GLN 31 1.439 -10.725 9.059
244 HG GLN 31 QG GLN 31 1.439 -10.725 9.059
245 1HE2 GLN 31 2HE2 GLN 31 -2.603 -11.654 9.310
246 2HE2 GLN 31 1HE2 GLN 31 -2.008 -10.069 9.673
247 H LYS 32 H LYS 32 0.507 -7.636 7.898
248 HA LYS 32 HA LYS 32 3.304 -7.941 7.466
249 HB LYS 32 2HB LYS 32 0.888 -7.349 5.816
250 HB LYS 32 QB LYS 32 0.888 -7.349 5.816
251 HG LYS 32 2HG LYS 32 2.675 -7.159 3.872
252 HG LYS 32 QG LYS 32 2.675 -7.159 3.872
253 HD LYS 32 2HD LYS 32 1.392 -5.125 5.598
254 HD LYS 32 QD LYS 32 1.392 -5.125 5.598
255 HE LYS 32 2HE LYS 32 3.297 -3.811 5.705
256 HE LYS 32 QE LYS 32 3.297 -3.811 5.705
257 1HZ LYS 32 1HZ LYS 32 4.629 -4.250 3.267
258 2HZ LYS 32 2HZ LYS 32 5.159 -4.603 4.766
259 H VAL 33 H VAL 33 1.316 -5.425 8.701
260 HA VAL 33 HA VAL 33 2.952 -3.286 7.676
261 HB VAL 33 HB VAL 33 0.839 -3.213 9.833
262 1HG1 VAL 33 1HG1 VAL 33 2.052 -1.124 8.002
263 2HG1 VAL 33 2HG1 VAL 33 0.549 -0.865 8.920
264 3HG1 VAL 33 3HG1 VAL 33 2.075 -1.177 9.781
265 1HG2 VAL 33 3HG2 VAL 33 0.583 -3.636 6.920
266 2HG2 VAL 33 1HG2 VAL 33 -0.561 -3.984 8.239
267 3HG2 VAL 33 2HG2 VAL 33 -0.435 -2.334 7.583
268 H THR 34 H THR 34 2.255 -4.804 10.904
269 HA THR 34 HA THR 34 3.964 -3.358 12.451
270 HB THR 34 HB THR 34 2.541 -4.958 13.502
271 HG1 THR 34 1HG THR 34 5.139 -6.292 13.294
272 1HG2 THR 34 1HG2 THR 34 3.889 -7.082 11.748
273 2HG2 THR 34 2HG2 THR 34 2.689 -7.408 13.022
274 3HG2 THR 34 3HG2 THR 34 2.214 -6.508 11.562
275 H GLN 35 H GLN 35 4.797 -5.972 10.146
276 HA GLN 35 HA GLN 35 7.395 -6.317 10.982
277 HB GLN 35 2HB GLN 35 5.838 -7.502 9.128
278 HB GLN 35 QB GLN 35 5.838 -7.502 9.128
279 HG GLN 35 2HG GLN 35 7.810 -5.810 7.521
280 HG GLN 35 QG GLN 35 7.810 -5.810 7.521
281 1HE2 GLN 35 2HE2 GLN 35 5.242 -8.278 5.465
282 2HE2 GLN 35 1HE2 GLN 35 4.700 -7.097 6.609
283 H SER 36 H SER 36 5.932 -3.942 8.704
284 HA SER 36 HA SER 36 8.456 -2.892 7.974
285 HB SER 36 2HB SER 36 5.903 -1.324 7.646
286 HB SER 36 QB SER 36 5.903 -1.324 7.646
287 HG SER 36 HG SER 36 8.371 -1.657 6.327
288 H LEU 37 H LEU 37 6.105 -2.389 10.553
289 HA LEU 37 HA LEU 37 6.528 0.215 11.255
290 HB LEU 37 2HB LEU 37 6.410 -1.375 13.620
291 HB LEU 37 QB LEU 37 6.410 -1.375 13.620
292 HG LEU 37 HG LEU 37 4.174 -0.577 13.867
293 1HD1 LEU 37 3HD1 LEU 37 6.367 1.107 13.474
294 2HD1 LEU 37 1HD1 LEU 37 5.027 1.887 12.599
295 3HD1 LEU 37 2HD1 LEU 37 4.851 1.489 14.325
296 1HD2 LEU 37 1HD2 LEU 37 3.336 -1.120 11.635
297 2HD2 LEU 37 2HD2 LEU 37 2.926 0.550 12.094
298 3HD2 LEU 37 3HD2 LEU 37 4.254 0.241 10.950
299 H GLU 38 H GLU 38 8.665 -2.610 11.648
300 HA GLU 38 HA GLU 38 10.846 -0.866 12.067
301 HB GLU 38 2HB GLU 38 11.442 -2.206 14.294
302 HB GLU 38 QB GLU 38 11.442 -2.206 14.294
303 HG GLU 38 2HG GLU 38 9.340 -0.173 14.859
304 HG GLU 38 QG GLU 38 9.340 -0.173 14.859
305 HE2 GLU 38 HE GLU 38 12.404 0.870 14.534
306 H LYS 39 H LYS 39 11.177 -2.121 10.008
307 HA LYS 39 HA LYS 39 11.584 -4.926 10.176
308 HB LYS 39 2HB LYS 39 12.513 -3.013 8.018
309 HB LYS 39 QB LYS 39 12.513 -3.013 8.018
310 HG LYS 39 2HG LYS 39 11.867 -5.171 6.667
311 HG LYS 39 QG LYS 39 11.867 -5.171 6.667
312 HD LYS 39 2HD LYS 39 14.126 -6.042 6.862
313 HD LYS 39 QD LYS 39 14.126 -6.042 6.862
314 HE LYS 39 2HE LYS 39 14.532 -3.157 7.684
315 HE LYS 39 QE LYS 39 14.532 -3.157 7.684
316 1HZ LYS 39 1HZ LYS 39 16.484 -4.075 6.876
317 2HZ LYS 39 2HZ LYS 39 15.751 -5.079 5.824
318 H ASP 40 H ASP 40 13.737 -2.021 10.113
319 HA ASP 40 HA ASP 40 15.535 -2.919 11.869
320 HB ASP 40 2HB ASP 40 17.382 -3.475 9.904
321 HB ASP 40 QB ASP 40 17.382 -3.475 9.904
322 HD2 ASP 40 HD ASP 40 16.450 -6.306 9.474
323 H ASP 41 H ASP 41 16.750 -2.214 8.562
324 HA ASP 41 HA ASP 41 17.811 0.247 9.460
325 HB ASP 41 2HB ASP 41 17.626 -0.997 6.675
326 HB ASP 41 QB ASP 41 17.626 -0.997 6.675
327 HD2 ASP 41 HD ASP 41 19.770 -0.218 5.484
328 H ILE 42 H ILE 42 16.810 0.527 6.182
329 HA ILE 42 HA ILE 42 14.227 1.689 6.787
330 HB ILE 42 HB ILE 42 16.659 3.264 6.139
331 HG1 ILE 42 2HG1 ILE 42 15.377 4.965 7.481
332 HG1 ILE 42 QG1 ILE 42 15.377 4.965 7.481
333 1HG2 ILE 42 2HG2 ILE 42 14.053 3.561 4.722
334 2HG2 ILE 42 3HG2 ILE 42 14.875 5.040 5.275
335 3HG2 ILE 42 1HG2 ILE 42 15.710 3.916 4.176
336 1HD1 ILE 42 1HD1 ILE 42 13.190 3.327 6.973
337 2HD1 ILE 42 2HD1 ILE 42 13.645 2.863 8.630
338 3HD1 ILE 42 3HD1 ILE 42 13.270 4.562 8.252
339 H ARG 43 H ARG 43 13.463 -0.104 5.530
340 HA ARG 43 HA ARG 43 14.465 -0.356 2.877
341 HB ARG 43 2HB ARG 43 12.097 -1.871 3.053
342 HB ARG 43 QB ARG 43 12.097 -1.871 3.053
343 HG ARG 43 2HG ARG 43 14.499 -3.193 4.178
344 HG ARG 43 QG ARG 43 14.499 -3.193 4.178
345 HD ARG 43 2HD ARG 43 13.958 -4.090 1.554
346 HD ARG 43 QD ARG 43 13.958 -4.090 1.554
347 HE ARG 43 HE ARG 43 12.492 -5.557 3.521
348 1HH1 ARG 43 2HH2 ARG 43 15.808 -4.491 2.874
349 2HH1 ARG 43 1HH2 ARG 43 16.531 -5.807 3.739
350 HH2 ARG 43 1HH ARG 43 15.123 -7.441 4.781
351 H HIS 44 H HIS 44 12.037 -0.986 1.458
352 HA HIS 44 HA HIS 44 10.557 1.529 1.599
353 HB HIS 44 2HB HIS 44 10.533 1.538 -0.916
354 HB HIS 44 QB HIS 44 10.533 1.538 -0.916
355 HD1 HIS 44 1HD HIS 44 11.667 3.394 1.313
356 HD2 HIS 44 2HD HIS 44 13.979 1.620 -1.704
357 HE1 HIS 44 1HE HIS 44 13.759 4.837 1.074
358 H ILE 45 H ILE 45 8.387 1.380 0.518
359 HA ILE 45 HA ILE 45 7.375 -1.355 0.820
360 HB ILE 45 HB ILE 45 5.170 -0.189 1.105
361 HG1 ILE 45 2HG1 ILE 45 6.605 2.328 1.807
362 HG1 ILE 45 QG1 ILE 45 6.605 2.328 1.807
363 1HG2 ILE 45 2HG2 ILE 45 7.460 -0.167 2.993
364 2HG2 ILE 45 3HG2 ILE 45 6.034 0.794 3.450
365 3HG2 ILE 45 1HG2 ILE 45 5.865 -0.946 3.120
366 1HD1 ILE 45 2HD1 ILE 45 5.760 1.567 -1.027
367 2HD1 ILE 45 3HD1 ILE 45 6.246 3.195 -0.493
368 3HD1 ILE 45 1HD1 ILE 45 7.429 1.866 -0.487
369 H VAL 46 H VAL 46 5.629 -2.028 -0.696
370 HA VAL 46 HA VAL 46 5.375 -0.536 -3.129
371 HB VAL 46 HB VAL 46 7.283 -2.768 -2.865
372 1HG1 VAL 46 2HG1 VAL 46 5.445 -3.910 -4.046
373 2HG1 VAL 46 3HG1 VAL 46 5.437 -2.620 -5.273
374 3HG1 VAL 46 1HG1 VAL 46 6.861 -3.674 -5.098
375 1HG2 VAL 46 1HG2 VAL 46 7.671 -0.300 -3.568
376 2HG2 VAL 46 2HG2 VAL 46 8.498 -1.591 -4.473
377 3HG2 VAL 46 3HG2 VAL 46 7.046 -0.818 -5.152
378 H LEU 47 H LEU 47 3.151 -0.571 -2.537
379 HA LEU 47 HA LEU 47 1.916 -3.156 -2.154
380 HB LEU 47 2HB LEU 47 -0.147 -1.753 -1.903
381 HB LEU 47 QB LEU 47 -0.147 -1.753 -1.903
382 HG LEU 47 HG LEU 47 0.552 -2.079 0.225
383 1HD1 LEU 47 3HD1 LEU 47 2.889 -2.571 -0.525
384 2HD1 LEU 47 1HD1 LEU 47 3.258 -0.840 -0.329
385 3HD1 LEU 47 2HD1 LEU 47 2.767 -1.811 1.080
386 1HD2 LEU 47 1HD2 LEU 47 -0.152 0.389 -0.136
387 2HD2 LEU 47 2HD2 LEU 47 0.592 -0.085 1.410
388 3HD2 LEU 47 3HD2 LEU 47 1.562 0.753 0.175
389 H ASN 48 H ASN 48 0.131 -3.927 -3.506
390 HA ASN 48 HA ASN 48 -0.504 -2.709 -5.905
391 HB ASN 48 2HB ASN 48 1.789 -4.682 -5.965
392 HB ASN 48 QB ASN 48 1.789 -4.682 -5.965
393 1HD2 ASN 48 2HD2 ASN 48 1.042 -6.432 -8.896
394 2HD2 ASN 48 1HD2 ASN 48 2.238 -5.928 -7.749
395 H LEU 49 H LEU 49 -2.633 -3.467 -5.770
396 HA LEU 49 HA LEU 49 -2.985 -6.320 -5.178
397 HB LEU 49 2HB LEU 49 -4.069 -4.070 -3.955
398 HB LEU 49 QB LEU 49 -4.069 -4.070 -3.955
399 HG LEU 49 HG LEU 49 -5.903 -4.954 -6.040
400 1HD1 LEU 49 1HD1 LEU 49 -6.543 -5.662 -3.235
401 2HD1 LEU 49 2HD1 LEU 49 -7.820 -4.822 -4.146
402 3HD1 LEU 49 3HD1 LEU 49 -7.140 -6.346 -4.767
403 1HD2 LEU 49 2HD2 LEU 49 -5.296 -2.623 -4.470
404 2HD2 LEU 49 3HD2 LEU 49 -6.209 -2.759 -5.992
405 3HD2 LEU 49 1HD2 LEU 49 -7.047 -2.937 -4.432
406 H GLU 50 H GLU 50 -3.706 -7.626 -6.777
407 HA GLU 50 HA GLU 50 -4.598 -6.276 -9.190
408 HB GLU 50 2HB GLU 50 -4.188 -9.155 -9.464
409 HB GLU 50 QB GLU 50 -4.188 -9.155 -9.464
410 HG GLU 50 2HG GLU 50 -2.264 -7.178 -10.616
411 HG GLU 50 QG GLU 50 -2.264 -7.178 -10.616
412 HE2 GLU 50 HE GLU 50 -1.680 -9.256 -12.833
413 H ASP 51 H ASP 51 -5.653 -8.258 -6.514
414 HA ASP 51 HA ASP 51 -8.051 -8.979 -7.982
415 HB ASP 51 2HB ASP 51 -6.830 -9.949 -5.365
416 HB ASP 51 QB ASP 51 -6.830 -9.949 -5.365
417 HD2 ASP 51 HD ASP 51 -8.265 -12.478 -5.843
418 H LEU 52 H LEU 52 -8.508 -6.487 -7.732
419 HA LEU 52 HA LEU 52 -9.366 -5.803 -5.031
420 HB LEU 52 2HB LEU 52 -8.860 -4.212 -7.535
421 HB LEU 52 QB LEU 52 -8.860 -4.212 -7.535
422 HG LEU 52 HG LEU 52 -9.336 -2.171 -6.334
423 1HD1 LEU 52 1HD1 LEU 52 -11.175 -3.664 -7.546
424 2HD1 LEU 52 2HD1 LEU 52 -11.889 -3.651 -5.916
425 3HD1 LEU 52 3HD1 LEU 52 -11.569 -2.117 -6.760
426 1HD2 LEU 52 1HD2 LEU 52 -8.875 -3.267 -4.051
427 2HD2 LEU 52 2HD2 LEU 52 -10.130 -2.008 -4.146
428 3HD2 LEU 52 3HD2 LEU 52 -10.594 -3.725 -4.080
429 H SER 53 H SER 53 -11.467 -5.873 -4.416
430 HA SER 53 HA SER 53 -13.446 -5.773 -6.531
431 HB SER 53 2HB SER 53 -13.144 -7.965 -4.453
432 HB SER 53 QB SER 53 -13.144 -7.965 -4.453
433 HG SER 53 HG SER 53 -15.354 -7.348 -4.356
434 H PHE 54 H PHE 54 -13.859 -6.698 -3.075
435 HA PHE 54 HA PHE 54 -15.877 -4.898 -2.592
436 HB PHE 54 2HB PHE 54 -13.721 -6.218 -0.848
437 HB PHE 54 QB PHE 54 -13.721 -6.218 -0.848
438 HD1 PHE 54 1HD PHE 54 -17.293 -5.777 -0.085
439 HD2 PHE 54 2HD PHE 54 -13.333 -4.569 0.846
440 HE1 PHE 54 1HE PHE 54 -18.128 -4.646 1.995
441 HE2 PHE 54 2HE PHE 54 -14.168 -3.438 2.926
442 HZ PHE 54 HZ PHE 54 -16.554 -3.489 3.475
443 H MET 55 H MET 55 -12.540 -4.633 -1.170
444 HA MET 55 HA MET 55 -11.579 -2.848 -0.282
445 HB MET 55 2HB MET 55 -11.881 -2.584 -3.223
446 HB MET 55 QB MET 55 -11.881 -2.584 -3.223
447 HG MET 55 2HG MET 55 -10.574 -0.240 -2.921
448 HG MET 55 QG MET 55 -10.574 -0.240 -2.921
449 1HE MET 55 1HE MET 55 -12.126 -1.906 -4.868
450 2HE MET 55 2HE MET 55 -13.485 -2.398 -3.830
451 3HE MET 55 3HE MET 55 -13.785 -1.411 -5.280
452 H ASP 56 H ASP 56 -12.931 -1.973 1.329
453 HA ASP 56 HA ASP 56 -14.664 0.172 0.382
454 HB ASP 56 2HB ASP 56 -14.915 -1.121 3.111
455 HB ASP 56 QB ASP 56 -14.915 -1.121 3.111
456 HD1 ASP 56 HD ASP 56 -16.817 -0.271 0.347
457 H SER 57 H SER 57 -15.005 0.943 3.347
458 HA SER 57 HA SER 57 -12.559 2.467 3.494
459 HB SER 57 2HB SER 57 -14.955 3.444 3.704
460 HB SER 57 QB SER 57 -14.955 3.444 3.704
461 HG SER 57 HG SER 57 -15.477 1.772 5.449
462 H SER 58 H SER 58 -12.573 -0.439 4.106
463 HA SER 58 HA SER 58 -12.340 -0.456 6.984
464 HB SER 58 2HB SER 58 -12.865 -2.659 6.840
465 HB SER 58 QB SER 58 -12.865 -2.659 6.840
466 HG SER 58 HG SER 58 -14.373 -2.309 5.290
467 H GLY 59 H GLY 59 -10.399 -1.526 4.090
468 1HA GLY 59 1HA GLY 59 -7.963 -1.526 5.668
469 2HA GLY 59 2HA GLY 59 -8.158 -2.004 3.994
470 H LEU 60 H LEU 60 -9.832 0.772 3.894
471 HA LEU 60 HA LEU 60 -7.965 2.209 2.502
472 HB LEU 60 2HB LEU 60 -9.897 3.858 3.950
473 HB LEU 60 QB LEU 60 -9.897 3.858 3.950
474 HG LEU 60 HG LEU 60 -10.829 4.143 1.598
475 1HD1 LEU 60 1HD1 LEU 60 -9.392 5.802 2.656
476 2HD1 LEU 60 2HD1 LEU 60 -7.945 4.921 2.111
477 3HD1 LEU 60 3HD1 LEU 60 -9.034 5.668 0.917
478 1HD2 LEU 60 1HD2 LEU 60 -9.740 1.951 0.820
479 2HD2 LEU 60 2HD2 LEU 60 -9.683 3.350 -0.278
480 3HD2 LEU 60 3HD2 LEU 60 -8.244 2.903 0.669
481 H GLY 61 H GLY 61 -8.714 2.257 6.025
482 1HA GLY 61 1HA GLY 61 -6.819 4.361 6.553
483 2HA GLY 61 2HA GLY 61 -7.727 3.414 7.715
484 H VAL 62 H VAL 62 -6.913 0.769 6.634
485 HA VAL 62 HA VAL 62 -4.581 0.431 8.150
486 HB VAL 62 HB VAL 62 -6.562 -1.144 7.016
487 1HG1 VAL 62 1HG1 VAL 62 -5.140 -1.245 4.943
488 2HG1 VAL 62 2HG1 VAL 62 -3.898 -2.079 5.908
489 3HG1 VAL 62 3HG1 VAL 62 -5.497 -2.826 5.679
490 1HG2 VAL 62 2HG2 VAL 62 -4.009 -1.937 8.456
491 2HG2 VAL 62 3HG2 VAL 62 -5.573 -1.517 9.195
492 3HG2 VAL 62 1HG2 VAL 62 -5.418 -2.999 8.223
493 H ILE 63 H ILE 63 -5.167 1.410 4.830
494 HA ILE 63 HA ILE 63 -2.434 0.779 4.071
495 HB ILE 63 HB ILE 63 -4.954 1.474 2.676
496 HG1 ILE 63 2HG1 ILE 63 -3.084 -0.711 2.830
497 HG1 ILE 63 QG1 ILE 63 -3.084 -0.711 2.830
498 1HG2 ILE 63 3HG2 ILE 63 -2.224 2.218 1.603
499 2HG2 ILE 63 1HG2 ILE 63 -3.681 2.038 0.596
500 3HG2 ILE 63 2HG2 ILE 63 -3.623 3.285 1.864
501 1HD1 ILE 63 3HD1 ILE 63 -5.745 -0.271 1.401
502 2HD1 ILE 63 1HD1 ILE 63 -4.945 -1.851 1.574
503 3HD1 ILE 63 2HD1 ILE 63 -5.510 -0.977 3.018
504 H LEU 64 H LEU 64 -4.594 3.546 4.811
505 HA LEU 64 HA LEU 64 -2.662 5.494 4.075
506 HB LEU 64 2HB LEU 64 -5.393 5.386 4.996
507 HB LEU 64 QB LEU 64 -5.393 5.386 4.996
508 HG LEU 64 HG LEU 64 -5.499 7.615 6.012
509 1HD1 LEU 64 2HD1 LEU 64 -5.030 5.246 7.281
510 2HD1 LEU 64 3HD1 LEU 64 -3.753 6.276 7.972
511 3HD1 LEU 64 1HD1 LEU 64 -5.459 6.772 8.090
512 1HD2 LEU 64 1HD2 LEU 64 -2.714 7.691 5.330
513 2HD2 LEU 64 2HD2 LEU 64 -3.765 8.994 5.936
514 3HD2 LEU 64 3HD2 LEU 64 -2.900 7.942 7.083
515 H GLY 65 H GLY 65 -3.371 3.560 6.957
516 1HA GLY 65 1HA GLY 65 -1.960 5.186 8.814
517 2HA GLY 65 2HA GLY 65 -2.443 3.514 9.012
518 H ARG 66 H ARG 66 -0.944 3.151 6.190
519 HA ARG 66 HA ARG 66 1.486 2.385 7.476
520 HB ARG 66 2HB ARG 66 1.530 2.036 4.582
521 HB ARG 66 QB ARG 66 1.530 2.036 4.582
522 HG ARG 66 2HG ARG 66 2.159 0.580 6.920
523 HG ARG 66 QG ARG 66 2.159 0.580 6.920
524 HD ARG 66 2HD ARG 66 -0.008 -0.465 7.086
525 HD ARG 66 QD ARG 66 -0.008 -0.465 7.086
526 HE ARG 66 HE ARG 66 -1.269 -0.412 5.123
527 1HH1 ARG 66 2HH2 ARG 66 1.963 -1.634 4.335
528 2HH1 ARG 66 1HH2 ARG 66 1.566 -1.978 2.685
529 HH2 ARG 66 1HH ARG 66 -0.647 -1.518 1.890
530 H TYR 67 H TYR 67 0.345 4.664 4.918
531 HA TYR 67 HA TYR 67 2.775 5.558 3.987
532 HB TYR 67 2HB TYR 67 0.516 7.495 4.565
533 HB TYR 67 QB TYR 67 0.516 7.495 4.565
534 HD1 TYR 67 2HD TYR 67 2.434 8.961 3.652
535 HD2 TYR 67 1HD TYR 67 0.463 5.957 1.328
536 HE1 TYR 67 2HE TYR 67 3.255 10.065 1.514
537 HE2 TYR 67 1HE TYR 67 1.291 7.072 -0.802
538 HH TYR 67 HH TYR 67 3.480 8.660 -1.267
539 H LYS 68 H LYS 68 0.839 6.739 6.814
540 HA LYS 68 HA LYS 68 2.810 8.712 7.447
541 HB LYS 68 2HB LYS 68 1.338 9.412 9.102
542 HB LYS 68 QB LYS 68 1.338 9.412 9.102
543 HG LYS 68 2HG LYS 68 -0.897 8.086 7.708
544 HG LYS 68 QG LYS 68 -0.897 8.086 7.708
545 HD LYS 68 2HD LYS 68 -1.534 10.391 7.222
546 HD LYS 68 QD LYS 68 -1.534 10.391 7.222
547 HE LYS 68 2HE LYS 68 -0.162 10.403 9.949
548 HE LYS 68 QE LYS 68 -0.162 10.403 9.949
549 1HZ LYS 68 1HZ LYS 68 -1.745 12.266 8.695
550 2HZ LYS 68 2HZ LYS 68 -2.782 11.509 9.696
551 H GLN 69 H GLN 69 2.957 5.425 7.526
552 HA GLN 69 HA GLN 69 4.311 5.381 10.099
553 HB GLN 69 2HB GLN 69 4.051 2.796 8.721
554 HB GLN 69 QB GLN 69 4.051 2.796 8.721
555 HG GLN 69 2HG GLN 69 4.499 3.141 11.177
556 HG GLN 69 QG GLN 69 4.499 3.141 11.177
557 1HE2 GLN 69 2HE2 GLN 69 1.587 4.121 13.337
558 2HE2 GLN 69 1HE2 GLN 69 2.423 2.644 12.992
559 H ILE 70 H ILE 70 4.669 4.426 6.622
560 HA ILE 70 HA ILE 70 7.361 3.629 6.906
561 HB ILE 70 HB ILE 70 5.748 2.913 5.140
562 HG1 ILE 70 2HG1 ILE 70 8.536 3.864 4.568
563 HG1 ILE 70 QG1 ILE 70 8.536 3.864 4.568
564 1HG2 ILE 70 3HG2 ILE 70 6.253 5.717 4.129
565 2HG2 ILE 70 1HG2 ILE 70 5.664 4.396 3.092
566 3HG2 ILE 70 2HG2 ILE 70 4.696 4.931 4.487
567 1HD1 ILE 70 1HD1 ILE 70 7.065 1.282 5.065
568 2HD1 ILE 70 2HD1 ILE 70 8.518 1.243 4.037
569 3HD1 ILE 70 3HD1 ILE 70 8.628 1.837 5.712
570 H LYS 71 H LYS 71 5.703 6.725 6.312
571 HA LYS 71 HA LYS 71 8.100 8.065 5.526
572 HB LYS 71 2HB LYS 71 6.262 9.998 6.296
573 HB LYS 71 QB LYS 71 6.262 9.998 6.296
574 HG LYS 71 2HG LYS 71 6.404 8.552 3.610
575 HG LYS 71 QG LYS 71 6.404 8.552 3.610
576 HD LYS 71 2HD LYS 71 5.841 11.478 4.274
577 HD LYS 71 QD LYS 71 5.841 11.478 4.274
578 HE LYS 71 2HE LYS 71 5.359 9.936 1.687
579 HE LYS 71 QE LYS 71 5.359 9.936 1.687
580 1HZ LYS 71 1HZ LYS 71 4.103 11.933 1.790
581 2HZ LYS 71 2HZ LYS 71 5.313 12.798 2.455
582 H GLN 72 H GLN 72 6.589 7.101 8.529
583 HA GLN 72 HA GLN 72 7.896 9.127 10.049
584 HB GLN 72 2HB GLN 72 5.697 7.493 10.463
585 HB GLN 72 QB GLN 72 5.697 7.493 10.463
586 HG GLN 72 2HG GLN 72 7.946 6.578 12.319
587 HG GLN 72 QG GLN 72 7.946 6.578 12.319
588 1HE2 GLN 72 2HE2 GLN 72 5.463 4.457 13.982
589 2HE2 GLN 72 1HE2 GLN 72 6.969 4.302 13.140
590 H ILE 73 H ILE 73 8.634 5.939 8.797
591 HA ILE 73 HA ILE 73 10.678 5.407 10.749
592 HB ILE 73 HB ILE 73 10.029 4.018 8.148
593 HG1 ILE 73 2HG1 ILE 73 8.286 4.247 10.184
594 HG1 ILE 73 QG1 ILE 73 8.286 4.247 10.184
595 1HG2 ILE 73 3HG2 ILE 73 12.267 3.754 9.783
596 2HG2 ILE 73 1HG2 ILE 73 11.205 2.407 10.259
597 3HG2 ILE 73 2HG2 ILE 73 11.691 2.600 8.557
598 1HD1 ILE 73 2HD1 ILE 73 8.659 2.561 7.929
599 2HD1 ILE 73 3HD1 ILE 73 8.258 1.479 9.285
600 3HD1 ILE 73 1HD1 ILE 73 7.156 2.808 8.851
601 H GLY 74 H GLY 74 10.407 6.644 7.386
602 1HA GLY 74 1HA GLY 74 12.106 8.410 6.955
603 2HA GLY 74 2HA GLY 74 13.303 7.244 7.482
604 H GLY 75 H GLY 75 10.361 6.445 5.577
605 1HA GLY 75 1HA GLY 75 12.097 5.918 3.242
606 2HA GLY 75 2HA GLY 75 10.926 4.748 3.817
607 H GLU 76 H GLU 76 9.596 4.753 1.959
608 HA GLU 76 HA GLU 76 7.956 7.123 1.768
609 HB GLU 76 2HB GLU 76 8.293 7.521 -0.503
610 HB GLU 76 QB GLU 76 8.293 7.521 -0.503
611 HG GLU 76 2HG GLU 76 10.776 7.194 -1.020
612 HG GLU 76 QG GLU 76 10.776 7.194 -1.020
613 HE2 GLU 76 HE GLU 76 11.581 9.388 1.935
614 H MET 77 H MET 77 5.799 6.688 0.968
615 HA MET 77 HA MET 77 5.196 3.847 1.091
616 HB MET 77 2HB MET 77 3.252 6.207 1.266
617 HB MET 77 QB MET 77 3.252 6.207 1.266
618 HG MET 77 2HG MET 77 1.973 4.520 2.689
619 HG MET 77 QG MET 77 1.973 4.520 2.689
620 1HE MET 77 1HE MET 77 0.074 3.800 2.030
621 2HE MET 77 2HE MET 77 -0.589 3.738 0.380
622 3HE MET 77 3HE MET 77 0.208 2.305 1.072
623 H VAL 78 H VAL 78 4.341 2.764 -0.663
624 HA VAL 78 HA VAL 78 3.541 4.437 -2.942
625 HB VAL 78 HB VAL 78 5.585 2.389 -2.692
626 1HG1 VAL 78 1HG1 VAL 78 3.749 0.954 -3.573
627 2HG1 VAL 78 2HG1 VAL 78 3.612 2.043 -4.974
628 3HG1 VAL 78 3HG1 VAL 78 5.113 1.125 -4.704
629 1HG2 VAL 78 3HG2 VAL 78 5.533 4.805 -3.754
630 2HG2 VAL 78 1HG2 VAL 78 6.567 3.529 -4.439
631 3HG2 VAL 78 2HG2 VAL 78 5.010 3.921 -5.207
632 H VAL 79 H VAL 79 1.922 3.405 -4.385
633 HA VAL 79 HA VAL 79 0.594 1.056 -3.536
634 HB VAL 79 HB VAL 79 -0.107 2.689 -1.777
635 1HG1 VAL 79 1HG1 VAL 79 -1.451 4.065 -4.127
636 2HG1 VAL 79 2HG1 VAL 79 -1.801 4.400 -2.414
637 3HG1 VAL 79 3HG1 VAL 79 -0.181 4.734 -3.074
638 1HG2 VAL 79 1HG2 VAL 79 -2.215 1.520 -3.620
639 2HG2 VAL 79 2HG2 VAL 79 -1.485 0.768 -2.180
640 3HG2 VAL 79 3HG2 VAL 79 -2.561 2.174 -2.001
641 H CYS 80 H CYS 80 -0.107 0.176 -5.410
642 HA CYS 80 HA CYS 80 -0.983 2.049 -7.482
643 HB CYS 80 2HB CYS 80 1.352 0.995 -7.839
644 HB CYS 80 QB CYS 80 1.352 0.995 -7.839
645 HG CYS 80 HG CYS 80 1.575 -1.316 -8.964
646 H ALA 81 H ALA 81 -1.883 0.130 -9.342
647 HA ALA 81 HA ALA 81 -3.488 -1.337 -9.788
648 1HB ALA 81 2HB ALA 81 -2.443 -2.253 -7.262
649 2HB ALA 81 3HB ALA 81 -4.209 -2.473 -7.275
650 3HB ALA 81 1HB ALA 81 -3.212 -3.197 -8.561
651 H ILE 82 H ILE 82 -3.978 1.437 -9.181
652 HA ILE 82 HA ILE 82 -6.163 1.718 -7.432
653 HB ILE 82 HB ILE 82 -4.543 3.471 -8.315
654 HG1 ILE 82 2HG1 ILE 82 -7.407 4.369 -8.519
655 HG1 ILE 82 QG1 ILE 82 -7.407 4.369 -8.519
656 1HG2 ILE 82 3HG2 ILE 82 -6.246 3.031 -10.728
657 2HG2 ILE 82 1HG2 ILE 82 -5.728 4.690 -10.345
658 3HG2 ILE 82 2HG2 ILE 82 -4.513 3.414 -10.598
659 1HD1 ILE 82 2HD1 ILE 82 -5.952 3.186 -6.131
660 2HD1 ILE 82 3HD1 ILE 82 -7.218 4.419 -5.922
661 3HD1 ILE 82 1HD1 ILE 82 -7.609 2.863 -6.693
662 H SER 83 H SER 83 -8.304 2.801 -8.534
663 HA SER 83 HA SER 83 -9.078 1.488 -10.918
664 HB SER 83 2HB SER 83 -9.521 0.104 -8.437
665 HB SER 83 QB SER 83 -9.521 0.104 -8.437
666 HG SER 83 HG SER 83 -11.583 0.454 -8.027
667 HA PRO 84 HA PRO 84 -11.914 4.784 -10.778
668 HB PRO 84 2HB PRO 84 -12.435 4.568 -13.010
669 HB PRO 84 QB PRO 84 -12.435 4.568 -13.010
670 HG PRO 84 2HG PRO 84 -12.082 2.463 -13.882
671 HG PRO 84 QG PRO 84 -12.082 2.463 -13.882
672 HD PRO 84 2HD PRO 84 -10.495 1.674 -12.417
673 HD PRO 84 QD PRO 84 -10.495 1.674 -12.417
674 H ALA 85 H ALA 85 -12.450 2.063 -9.124
675 HA ALA 85 HA ALA 85 -14.796 3.284 -7.868
676 1HB ALA 85 2HB ALA 85 -15.209 1.254 -9.522
677 2HB ALA 85 3HB ALA 85 -14.623 0.293 -8.143
678 3HB ALA 85 1HB ALA 85 -16.054 1.336 -7.958
679 H VAL 86 H VAL 86 -11.811 3.215 -7.355
680 HA VAL 86 HA VAL 86 -12.023 2.089 -4.663
681 HB VAL 86 HB VAL 86 -9.924 1.557 -6.745
682 1HG1 VAL 86 1HG1 VAL 86 -9.570 1.616 -3.746
683 2HG1 VAL 86 2HG1 VAL 86 -8.594 0.544 -4.779
684 3HG1 VAL 86 3HG1 VAL 86 -8.528 2.307 -5.014
685 1HG2 VAL 86 1HG2 VAL 86 -12.026 0.062 -5.900
686 2HG2 VAL 86 2HG2 VAL 86 -10.510 -0.620 -6.536
687 3HG2 VAL 86 3HG2 VAL 86 -10.761 -0.497 -4.779
688 H LYS 87 H LYS 87 -10.507 4.335 -7.013
689 HA LYS 87 HA LYS 87 -9.086 5.758 -4.994
690 HB LYS 87 2HB LYS 87 -8.268 5.645 -7.286
691 HB LYS 87 QB LYS 87 -8.268 5.645 -7.286
692 HG LYS 87 2HG LYS 87 -10.538 7.484 -8.114
693 HG LYS 87 QG LYS 87 -10.538 7.484 -8.114
694 HD LYS 87 2HD LYS 87 -8.941 5.541 -9.816
695 HD LYS 87 QD LYS 87 -8.941 5.541 -9.816
696 HE LYS 87 2HE LYS 87 -11.030 7.440 -10.293
697 HE LYS 87 QE LYS 87 -11.030 7.440 -10.293
698 1HZ LYS 87 1HZ LYS 87 -9.486 8.538 -12.159
699 2HZ LYS 87 2HZ LYS 87 -9.742 9.261 -10.722
700 H ARG 88 H ARG 88 -12.376 5.497 -5.815
701 HA ARG 88 HA ARG 88 -13.136 8.160 -5.561
702 HB ARG 88 2HB ARG 88 -14.470 6.064 -6.424
703 HB ARG 88 QB ARG 88 -14.470 6.064 -6.424
704 HG ARG 88 2HG ARG 88 -16.133 5.361 -4.548
705 HG ARG 88 QG ARG 88 -16.133 5.361 -4.548
706 HD ARG 88 2HD ARG 88 -13.539 4.188 -3.738
707 HD ARG 88 QD ARG 88 -13.539 4.188 -3.738
708 HE ARG 88 HE ARG 88 -15.044 2.417 -3.703
709 1HH1 ARG 88 2HH2 ARG 88 -15.977 4.581 -6.349
710 2HH1 ARG 88 1HH2 ARG 88 -17.348 3.628 -6.811
711 HH2 ARG 88 1HH ARG 88 -17.844 1.621 -5.600
712 H LEU 89 H LEU 89 -12.360 5.581 -3.247
713 HA LEU 89 HA LEU 89 -13.659 6.720 -1.016
714 HB LEU 89 2HB LEU 89 -11.506 5.194 -0.105
715 HB LEU 89 QB LEU 89 -11.506 5.194 -0.105
716 HG LEU 89 HG LEU 89 -14.347 4.386 -0.763
717 1HD1 LEU 89 1HD1 LEU 89 -12.701 2.463 -0.856
718 2HD1 LEU 89 2HD1 LEU 89 -12.402 2.751 0.875
719 3HD1 LEU 89 3HD1 LEU 89 -14.032 2.305 0.315
720 1HD2 LEU 89 1HD2 LEU 89 -13.332 5.978 1.269
721 2HD2 LEU 89 2HD2 LEU 89 -14.914 5.160 1.246
722 3HD2 LEU 89 3HD2 LEU 89 -13.520 4.381 2.033
723 H PHE 90 H PHE 90 -10.407 7.066 -2.495
724 HA PHE 90 HA PHE 90 -9.519 8.751 -0.342
725 HB PHE 90 2HB PHE 90 -7.512 8.921 -1.925
726 HB PHE 90 QB PHE 90 -7.512 8.921 -1.925
727 HD1 PHE 90 2HD PHE 90 -6.767 7.748 0.126
728 HD2 PHE 90 1HD PHE 90 -8.697 5.682 -3.037
729 HE1 PHE 90 2HE PHE 90 -5.937 5.565 1.045
730 HE2 PHE 90 1HE PHE 90 -7.867 3.499 -2.118
731 HZ PHE 90 HZ PHE 90 -6.497 3.467 -0.088
732 H ASP 91 H ASP 91 -11.169 9.093 -3.427
733 HA ASP 91 HA ASP 91 -10.326 11.653 -4.056
734 HB ASP 91 2HB ASP 91 -13.137 11.165 -4.734
735 HB ASP 91 QB ASP 91 -13.137 11.165 -4.734
736 HD2 ASP 91 HD ASP 91 -12.174 13.164 -5.802
737 H MET 92 H MET 92 -12.863 10.316 -1.897
738 HA MET 92 HA MET 92 -13.919 12.946 -1.395
739 HB MET 92 2HB MET 92 -14.603 10.228 -0.142
740 HB MET 92 QB MET 92 -14.603 10.228 -0.142
741 HG MET 92 2HG MET 92 -15.931 12.961 -0.119
742 HG MET 92 QG MET 92 -15.931 12.961 -0.119
743 1HE MET 92 2HE MET 92 -16.417 9.917 1.723
744 2HE MET 92 3HE MET 92 -18.132 10.190 2.114
745 3HE MET 92 1HE MET 92 -17.680 8.971 0.898
746 H SER 93 H SER 93 -11.534 10.750 -0.110
747 HA SER 93 HA SER 93 -11.705 11.493 2.571
748 HB SER 93 2HB SER 93 -9.337 10.459 0.948
749 HB SER 93 QB SER 93 -9.337 10.459 0.948
750 HG SER 93 HG SER 93 -9.238 11.415 3.381
751 H GLY 94 H GLY 94 -9.997 12.828 -0.289
752 1HA GLY 94 1HA GLY 94 -9.160 14.904 -0.623
753 2HA GLY 94 2HA GLY 94 -9.703 15.378 0.974
754 H LEU 95 H LEU 95 -7.950 12.474 1.258
755 HA LEU 95 HA LEU 95 -5.509 13.990 1.874
756 HB LEU 95 2HB LEU 95 -6.250 11.399 3.189
757 HB LEU 95 QB LEU 95 -6.250 11.399 3.189
758 HG LEU 95 HG LEU 95 -4.166 11.912 3.988
759 1HD1 LEU 95 2HD1 LEU 95 -4.842 14.855 3.740
760 2HD1 LEU 95 3HD1 LEU 95 -3.310 14.206 4.372
761 3HD1 LEU 95 1HD1 LEU 95 -3.775 13.902 2.681
762 1HD2 LEU 95 1HD2 LEU 95 -5.841 11.876 5.844
763 2HD2 LEU 95 2HD2 LEU 95 -4.346 12.767 6.217
764 3HD2 LEU 95 3HD2 LEU 95 -5.836 13.656 5.815
765 H PHE 96 H PHE 96 -6.734 12.363 -0.580
766 HA PHE 96 HA PHE 96 -5.349 10.081 -1.024
767 HB PHE 96 2HB PHE 96 -5.385 12.065 -3.273
768 HB PHE 96 QB PHE 96 -5.385 12.065 -3.273
769 HD1 PHE 96 2HD PHE 96 -4.830 8.976 -2.547
770 HD2 PHE 96 1HD PHE 96 -7.916 11.109 -4.530
771 HE1 PHE 96 2HE PHE 96 -5.397 6.922 -3.874
772 HE2 PHE 96 1HE PHE 96 -8.483 9.055 -5.857
773 HZ PHE 96 HZ PHE 96 -7.215 6.986 -5.514
774 H LYS 97 H LYS 97 -4.148 13.454 -1.201
775 HA LYS 97 HA LYS 97 -1.764 12.910 -2.539
776 HB LYS 97 2HB LYS 97 -1.034 15.078 -1.655
777 HB LYS 97 QB LYS 97 -1.034 15.078 -1.655
778 HG LYS 97 2HG LYS 97 -3.088 16.421 -2.375
779 HG LYS 97 QG LYS 97 -3.088 16.421 -2.375
780 HD LYS 97 2HD LYS 97 -1.496 14.533 -3.906
781 HD LYS 97 QD LYS 97 -1.496 14.533 -3.906
782 HE LYS 97 2HE LYS 97 -3.865 13.592 -4.344
783 HE LYS 97 QE LYS 97 -3.865 13.592 -4.344
784 1HZ LYS 97 1HZ LYS 97 -5.163 15.538 -4.532
785 2HZ LYS 97 2HZ LYS 97 -4.114 16.296 -5.519
786 H ILE 98 H ILE 98 -2.859 12.149 0.693
787 HA ILE 98 HA ILE 98 -0.201 11.910 1.760
788 HB ILE 98 HB ILE 98 -2.714 12.282 2.812
789 HG1 ILE 98 2HG1 ILE 98 -1.578 12.725 4.732
790 HG1 ILE 98 QG1 ILE 98 -1.578 12.725 4.732
791 1HG2 ILE 98 1HG2 ILE 98 -1.850 9.429 3.333
792 2HG2 ILE 98 2HG2 ILE 98 -3.002 10.321 4.356
793 3HG2 ILE 98 3HG2 ILE 98 -3.389 10.004 2.648
794 1HD1 ILE 98 2HD1 ILE 98 -1.165 10.321 5.290
795 2HD1 ILE 98 3HD1 ILE 98 0.234 10.327 4.189
796 3HD1 ILE 98 1HD1 ILE 98 0.247 11.345 5.649
797 H ILE 99 H ILE 99 -2.599 9.901 0.094
798 HA ILE 99 HA ILE 99 -1.053 7.509 0.701
799 HB ILE 99 HB ILE 99 -3.779 8.092 -0.356
800 HG1 ILE 99 2HG1 ILE 99 -2.530 6.692 1.936
801 HG1 ILE 99 QG1 ILE 99 -2.530 6.692 1.936
802 1HG2 ILE 99 3HG2 ILE 99 -2.818 6.634 -2.071
803 2HG2 ILE 99 1HG2 ILE 99 -2.335 5.467 -0.816
804 3HG2 ILE 99 2HG2 ILE 99 -4.060 5.789 -1.116
805 1HD1 ILE 99 3HD1 ILE 99 -4.420 8.773 1.432
806 2HD1 ILE 99 1HD1 ILE 99 -5.314 7.442 2.205
807 3HD1 ILE 99 2HD1 ILE 99 -3.891 8.143 3.011
808 H ARG 100 H ARG 100 -1.220 10.051 -1.600
809 HA ARG 100 HA ARG 100 -0.711 10.154 -3.760
810 HB ARG 100 2HB ARG 100 1.862 8.753 -2.953
811 HB ARG 100 QB ARG 100 1.862 8.753 -2.953
812 HG ARG 100 2HG ARG 100 2.913 10.459 -4.273
813 HG ARG 100 QG ARG 100 2.913 10.459 -4.273
814 HD ARG 100 2HD ARG 100 0.310 10.011 -5.786
815 HD ARG 100 QD ARG 100 0.310 10.011 -5.786
816 HE ARG 100 HE ARG 100 3.069 10.682 -6.531
817 1HH1 ARG 100 1HH2 ARG 100 0.341 9.622 -9.334
818 2HH1 ARG 100 2HH2 ARG 100 0.004 9.314 -7.663
819 HH2 ARG 100 1HH ARG 100 2.410 10.667 -9.941
820 H PHE 101 H PHE 101 -2.121 8.650 -4.854
821 HA PHE 101 HA PHE 101 -1.008 5.976 -5.261
822 HB PHE 101 2HB PHE 101 -3.704 6.810 -6.311
823 HB PHE 101 QB PHE 101 -3.704 6.810 -6.311
824 HD1 PHE 101 1HD PHE 101 -3.171 4.555 -7.400
825 HD2 PHE 101 2HD PHE 101 -3.752 5.027 -3.223
826 HE1 PHE 101 1HE PHE 101 -3.632 2.096 -7.185
827 HE2 PHE 101 2HE PHE 101 -4.214 2.569 -3.009
828 HZ PHE 101 HZ PHE 101 -4.149 1.134 -4.993
829 H GLU 102 H GLU 102 -1.480 5.035 -7.538
830 HA GLU 102 HA GLU 102 -1.335 7.111 -9.552
831 HB GLU 102 2HB GLU 102 0.540 4.844 -10.001
832 HB GLU 102 QB GLU 102 0.540 4.844 -10.001
833 HG GLU 102 2HG GLU 102 1.842 6.508 -11.061
834 HG GLU 102 QG GLU 102 1.842 6.508 -11.061
835 HE2 GLU 102 HE GLU 102 -0.115 9.000 -11.149
836 H GLN 103 H GLN 103 -0.506 4.878 -11.513
837 HA GLN 103 HA GLN 103 -2.752 3.106 -11.350
838 HB GLN 103 2HB GLN 103 -3.862 3.778 -13.336
839 HB GLN 103 QB GLN 103 -3.862 3.778 -13.336
840 HG GLN 103 2HG GLN 103 -2.874 6.316 -11.950
841 HG GLN 103 QG GLN 103 -2.874 6.316 -11.950
842 1HE2 GLN 103 2HE2 GLN 103 -6.286 7.442 -13.449
843 2HE2 GLN 103 1HE2 GLN 103 -5.927 6.699 -11.925
844 H SER 104 H SER 104 -1.329 1.344 -11.335
845 HA SER 104 HA SER 104 0.155 -0.086 -12.037
846 HB SER 104 2HB SER 104 -1.031 0.794 -14.696
847 HB SER 104 QB SER 104 -1.031 0.794 -14.696
848 HG SER 104 HG SER 104 0.976 -0.196 -15.201
849 H GLU 105 H GLU 105 0.336 2.589 -14.512
850 HA GLU 105 HA GLU 105 2.833 2.424 -15.290
851 HB GLU 105 2HB GLU 105 1.415 4.988 -14.443
852 HB GLU 105 QB GLU 105 1.415 4.988 -14.443
853 HG GLU 105 2HG GLU 105 4.058 4.494 -15.670
854 HG GLU 105 QG GLU 105 4.058 4.494 -15.670
855 HE1 GLU 105 HE GLU 105 2.656 7.501 -17.628
856 H GLN 106 H GLN 106 1.779 3.322 -12.023
857 HA GLN 106 HA GLN 106 4.137 4.494 -11.172
858 HB GLN 106 2HB GLN 106 1.727 3.278 -9.894
859 HB GLN 106 QB GLN 106 1.727 3.278 -9.894
860 HG GLN 106 2HG GLN 106 4.407 3.607 -8.493
861 HG GLN 106 QG GLN 106 4.407 3.607 -8.493
862 1HE2 GLN 106 2HE2 GLN 106 2.428 5.638 -6.284
863 2HE2 GLN 106 1HE2 GLN 106 3.375 5.703 -7.733
864 H GLN 107 H GLN 107 3.560 1.312 -12.222
865 HA GLN 107 HA GLN 107 4.683 -0.421 -10.633
866 HB GLN 107 2HB GLN 107 5.065 0.024 -13.595
867 HB GLN 107 QB GLN 107 5.065 0.024 -13.595
868 HG GLN 107 2HG GLN 107 6.360 -2.138 -11.880
869 HG GLN 107 QG GLN 107 6.360 -2.138 -11.880
870 1HE2 GLN 107 2HE2 GLN 107 6.258 -2.781 -15.958
871 2HE2 GLN 107 1HE2 GLN 107 6.716 -1.260 -15.267
872 H ALA 108 H ALA 108 6.382 2.321 -12.124
873 HA ALA 108 HA ALA 108 8.964 1.337 -11.263
874 1HB ALA 108 3HB ALA 108 8.004 3.041 -13.290
875 2HB ALA 108 1HB ALA 108 8.870 4.108 -12.159
876 3HB ALA 108 2HB ALA 108 9.705 2.711 -12.882
877 H LEU 109 H LEU 109 6.828 4.213 -10.622
878 HA LEU 109 HA LEU 109 8.376 5.135 -8.478
879 HB LEU 109 2HB LEU 109 5.687 5.942 -8.138
880 HB LEU 109 QB LEU 109 5.687 5.942 -8.138
881 HG LEU 109 HG LEU 109 6.512 8.030 -9.423
882 1HD1 LEU 109 2HD1 LEU 109 7.435 7.012 -6.768
883 2HD1 LEU 109 3HD1 LEU 109 8.110 8.540 -7.385
884 3HD1 LEU 109 1HD1 LEU 109 6.352 8.368 -7.166
885 1HD2 LEU 109 3HD2 LEU 109 8.639 6.296 -10.033
886 2HD2 LEU 109 1HD2 LEU 109 8.512 8.036 -10.382
887 3HD2 LEU 109 2HD2 LEU 109 9.290 7.484 -8.879
888 H LEU 110 H LEU 110 6.292 2.400 -8.815
889 HA LEU 110 HA LEU 110 5.190 2.237 -6.276
890 HB LEU 110 2HB LEU 110 6.117 -0.063 -7.996
891 HB LEU 110 QB LEU 110 6.117 -0.063 -7.996
892 HG LEU 110 HG LEU 110 5.039 -0.460 -5.652
893 1HD1 LEU 110 3HD1 LEU 110 3.099 1.222 -6.676
894 2HD1 LEU 110 1HD1 LEU 110 2.383 -0.397 -6.862
895 3HD1 LEU 110 2HD1 LEU 110 2.933 0.155 -5.261
896 1HD2 LEU 110 3HD2 LEU 110 3.982 -1.780 -8.167
897 2HD2 LEU 110 1HD2 LEU 110 5.451 -2.223 -7.265
898 3HD2 LEU 110 2HD2 LEU 110 3.850 -2.438 -6.518
899 H THR 111 H THR 111 8.438 1.336 -7.524
900 HA THR 111 HA THR 111 9.331 -0.038 -5.276
901 HB THR 111 HB THR 111 10.372 1.129 -7.754
902 HG1 THR 111 1HG THR 111 11.323 -0.910 -7.609
903 1HG2 THR 111 3HG2 THR 111 12.148 1.171 -5.257
904 2HG2 THR 111 1HG2 THR 111 12.759 1.227 -6.928
905 3HG2 THR 111 2HG2 THR 111 11.768 2.565 -6.299
906 H LEU 112 H LEU 112 8.208 3.131 -5.405
907 HA LEU 112 HA LEU 112 8.044 4.331 -3.420
908 HB LEU 112 2HB LEU 112 9.598 2.553 -2.358
909 HB LEU 112 QB LEU 112 9.598 2.553 -2.358
910 HG LEU 112 HG LEU 112 11.804 2.835 -2.242
911 1HD1 LEU 112 3HD1 LEU 112 11.053 3.606 -4.721
912 2HD1 LEU 112 1HD1 LEU 112 11.978 5.039 -4.209
913 3HD1 LEU 112 2HD1 LEU 112 12.746 3.434 -4.199
914 1HD2 LEU 112 2HD2 LEU 112 11.345 4.774 -0.692
915 2HD2 LEU 112 3HD2 LEU 112 12.909 4.812 -1.542
916 3HD2 LEU 112 1HD2 LEU 112 11.569 5.846 -2.095
917 H GLY 113 H GLY 113 9.081 4.635 -6.285
918 1HA GLY 113 1HA GLY 113 10.081 6.192 -7.578
919 2HA GLY 113 2HA GLY 113 9.410 7.321 -6.417
920 H VAL 114 H VAL 114 12.071 4.854 -6.172
921 HA VAL 114 HA VAL 114 14.168 6.659 -6.260
922 HB VAL 114 HB VAL 114 12.800 6.436 -3.646
923 1HG1 VAL 114 3HG1 VAL 114 15.714 5.901 -3.988
924 2HG1 VAL 114 1HG1 VAL 114 15.234 6.998 -2.670
925 3HG1 VAL 114 2HG1 VAL 114 14.583 5.342 -2.733
926 1HG2 VAL 114 3HG2 VAL 114 13.940 8.465 -5.377
927 2HG2 VAL 114 1HG2 VAL 114 12.807 8.638 -4.014
928 3HG2 VAL 114 2HG2 VAL 114 14.562 8.622 -3.716
929 H ALA 115 H ALA 115 14.497 4.648 -7.595
930 HA ALA 115 HA ALA 115 16.477 3.098 -6.749
931 1HB ALA 115 1HB ALA 115 13.978 2.276 -5.417
932 2HB ALA 115 2HB ALA 115 14.812 0.945 -6.255
933 3HB ALA 115 3HB ALA 115 15.669 1.891 -5.014
934 H SER 116 H SER 116 17.025 3.074 -8.915
935 HA SER 116 HA SER 116 16.923 2.645 -11.049
936 HB SER 116 2HB SER 116 15.304 0.147 -10.559
937 HB SER 116 QB SER 116 15.304 0.147 -10.559
938 HG SER 116 HG SER 116 17.591 0.930 -12.110
No H/Q in entry = 795
Start of MODEL 8
1 H SER 1 H SER 1 -12.205 -14.885 1.778
2 HA SER 1 HA SER 1 -10.269 -15.734 1.284
3 HB SER 1 2HB SER 1 -9.945 -16.192 -1.389
4 HB SER 1 QB SER 1 -9.945 -16.192 -1.389
5 HG SER 1 HG SER 1 -10.804 -18.259 -0.986
6 H LEU 2 H LEU 2 -8.166 -14.905 0.897
7 HA LEU 2 HA LEU 2 -7.862 -12.729 -0.972
8 HB LEU 2 2HB LEU 2 -7.968 -12.341 1.971
9 HB LEU 2 QB LEU 2 -7.968 -12.341 1.971
10 HG LEU 2 HG LEU 2 -5.568 -11.701 0.887
11 1HD1 LEU 2 3HD1 LEU 2 -7.435 -9.811 -0.248
12 2HD1 LEU 2 1HD1 LEU 2 -6.242 -8.981 0.780
13 3HD1 LEU 2 2HD1 LEU 2 -5.694 -10.022 -0.556
14 1HD2 LEU 2 1HD2 LEU 2 -7.197 -10.728 3.141
15 2HD2 LEU 2 2HD2 LEU 2 -5.526 -11.340 3.101
16 3HD2 LEU 2 3HD2 LEU 2 -5.865 -9.650 2.658
17 H GLY 3 H GLY 3 -5.719 -12.516 -1.684
18 1HA GLY 3 1HA GLY 3 -3.983 -14.733 -0.880
19 2HA GLY 3 2HA GLY 3 -3.843 -13.736 -2.315
20 H ILE 4 H ILE 4 -1.507 -13.614 -1.627
21 HA ILE 4 HA ILE 4 -0.932 -11.139 -0.540
22 HB ILE 4 HB ILE 4 -1.746 -12.614 1.510
23 HG1 ILE 4 2HG1 ILE 4 0.071 -11.221 2.855
24 HG1 ILE 4 QG1 ILE 4 0.071 -11.221 2.855
25 1HG2 ILE 4 2HG2 ILE 4 -0.108 -14.404 1.146
26 2HG2 ILE 4 3HG2 ILE 4 1.218 -13.237 1.364
27 3HG2 ILE 4 1HG2 ILE 4 0.124 -13.605 2.719
28 1HD1 ILE 4 1HD1 ILE 4 1.377 -10.817 0.672
29 2HD1 ILE 4 2HD1 ILE 4 0.016 -9.784 0.172
30 3HD1 ILE 4 3HD1 ILE 4 0.964 -9.368 1.620
31 H ASP 5 H ASP 5 1.072 -10.590 -1.282
32 HA ASP 5 HA ASP 5 2.905 -12.787 -1.765
33 HB ASP 5 2HB ASP 5 3.051 -10.669 -3.811
34 HB ASP 5 QB ASP 5 3.051 -10.669 -3.811
35 HD1 ASP 5 HD ASP 5 4.576 -11.719 -4.932
36 H MET 6 H MET 6 5.212 -11.966 -1.969
37 HA MET 6 HA MET 6 5.583 -9.208 -1.235
38 HB MET 6 2HB MET 6 7.216 -10.056 0.634
39 HB MET 6 QB MET 6 7.216 -10.056 0.634
40 HG MET 6 2HG MET 6 4.187 -10.354 0.866
41 HG MET 6 QG MET 6 4.187 -10.354 0.866
42 1HE MET 6 2HE MET 6 7.413 -9.468 2.822
43 2HE MET 6 3HE MET 6 6.136 -8.578 3.685
44 3HE MET 6 1HE MET 6 6.981 -9.923 4.488
45 H ASN 7 H ASN 7 7.465 -8.362 -2.122
46 HA ASN 7 HA ASN 7 9.479 -10.261 -2.954
47 HB ASN 7 2HB ASN 7 9.164 -8.229 -5.020
48 HB ASN 7 QB ASN 7 9.164 -8.229 -5.020
49 1HD2 ASN 7 2HD2 ASN 7 10.905 -11.083 -6.207
50 2HD2 ASN 7 1HD2 ASN 7 11.056 -9.576 -5.366
51 H VAL 8 H VAL 8 11.602 -9.297 -2.924
52 HA VAL 8 HA VAL 8 11.634 -6.514 -1.986
53 HB VAL 8 HB VAL 8 12.596 -8.816 -0.791
54 1HG1 VAL 8 1HG1 VAL 8 14.428 -8.823 -2.521
55 2HG1 VAL 8 2HG1 VAL 8 14.992 -7.278 -1.838
56 3HG1 VAL 8 3HG1 VAL 8 14.992 -8.748 -0.834
57 1HG2 VAL 8 1HG2 VAL 8 12.849 -5.885 -0.402
58 2HG2 VAL 8 2HG2 VAL 8 12.280 -7.150 0.714
59 3HG2 VAL 8 3HG2 VAL 8 14.025 -6.892 0.475
60 H LYS 9 H LYS 9 13.134 -5.051 -2.914
61 HA LYS 9 HA LYS 9 14.874 -6.000 -4.996
62 HB LYS 9 2HB LYS 9 13.798 -4.325 -6.645
63 HB LYS 9 QB LYS 9 13.798 -4.325 -6.645
64 HG LYS 9 2HG LYS 9 13.624 -7.045 -6.388
65 HG LYS 9 QG LYS 9 13.624 -7.045 -6.388
66 HD LYS 9 2HD LYS 9 11.128 -6.078 -5.379
67 HD LYS 9 QD LYS 9 11.128 -6.078 -5.379
68 HE LYS 9 2HE LYS 9 11.052 -6.646 -8.266
69 HE LYS 9 QE LYS 9 11.052 -6.646 -8.266
70 1HZ LYS 9 1HZ LYS 9 8.775 -7.914 -7.199
71 2HZ LYS 9 2HZ LYS 9 9.873 -8.540 -8.227
72 H GLU 10 H GLU 10 16.713 -5.050 -4.287
73 HA GLU 10 HA GLU 10 18.132 -3.505 -3.726
74 HB GLU 10 2HB GLU 10 15.982 -1.753 -4.927
75 HB GLU 10 QB GLU 10 15.982 -1.753 -4.927
76 HG GLU 10 2HG GLU 10 18.236 -0.898 -3.161
77 HG GLU 10 QG GLU 10 18.236 -0.898 -3.161
78 HE2 GLU 10 HE GLU 10 19.890 1.174 -5.355
79 H SER 11 H SER 11 14.851 -3.358 -2.460
80 HA SER 11 HA SER 11 15.355 -3.451 0.088
81 HB SER 11 2HB SER 11 16.592 -1.629 0.658
82 HB SER 11 QB SER 11 16.592 -1.629 0.658
83 HG SER 11 HG SER 11 15.574 -0.289 -1.701
84 H VAL 12 H VAL 12 13.494 -2.614 -2.581
85 HA VAL 12 HA VAL 12 11.225 -1.606 -1.095
86 HB VAL 12 HB VAL 12 11.806 -0.692 -3.284
87 1HG1 VAL 12 3HG1 VAL 12 12.222 -3.395 -3.991
88 2HG1 VAL 12 1HG1 VAL 12 10.851 -2.829 -4.975
89 3HG1 VAL 12 2HG1 VAL 12 12.402 -1.955 -5.023
90 1HG2 VAL 12 2HG2 VAL 12 9.394 -0.924 -2.400
91 2HG2 VAL 12 3HG2 VAL 12 9.620 -0.542 -4.123
92 3HG2 VAL 12 1HG2 VAL 12 9.213 -2.203 -3.625
93 H LEU 13 H LEU 13 9.662 -2.866 -0.217
94 HA LEU 13 HA LEU 13 9.748 -5.707 -0.903
95 HB LEU 13 2HB LEU 13 9.526 -6.066 1.254
96 HB LEU 13 QB LEU 13 9.526 -6.066 1.254
97 HG LEU 13 HG LEU 13 10.469 -3.505 1.310
98 1HD1 LEU 13 2HD1 LEU 13 7.914 -2.906 1.612
99 2HD1 LEU 13 3HD1 LEU 13 8.252 -3.328 3.308
100 3HD1 LEU 13 1HD1 LEU 13 9.185 -2.040 2.508
101 1HD2 LEU 13 3HD2 LEU 13 10.552 -5.750 2.914
102 2HD2 LEU 13 1HD2 LEU 13 11.455 -4.239 3.172
103 3HD2 LEU 13 2HD2 LEU 13 9.902 -4.501 4.001
104 H CYS 14 H CYS 14 8.539 -5.950 -2.759
105 HA CYS 14 HA CYS 14 6.162 -4.465 -3.157
106 HB CYS 14 2HB CYS 14 6.073 -5.437 -5.246
107 HB CYS 14 QB CYS 14 6.073 -5.437 -5.246
108 HG CYS 14 HG CYS 14 9.124 -6.412 -4.517
109 H ILE 15 H ILE 15 4.066 -5.008 -2.555
110 HA ILE 15 HA ILE 15 3.702 -7.703 -1.444
111 HB ILE 15 HB ILE 15 3.146 -5.037 -0.301
112 HG1 ILE 15 2HG1 ILE 15 3.593 -7.764 0.949
113 HG1 ILE 15 QG1 ILE 15 3.593 -7.764 0.949
114 1HG2 ILE 15 2HG2 ILE 15 1.146 -7.297 -0.177
115 2HG2 ILE 15 3HG2 ILE 15 1.256 -6.037 1.075
116 3HG2 ILE 15 1HG2 ILE 15 0.875 -5.591 -0.606
117 1HD1 ILE 15 1HD1 ILE 15 5.416 -5.688 -0.176
118 2HD1 ILE 15 2HD1 ILE 15 5.829 -6.266 1.455
119 3HD1 ILE 15 3HD1 ILE 15 5.703 -7.422 0.107
120 H ARG 16 H ARG 16 2.654 -8.755 -3.081
121 HA ARG 16 HA ARG 16 0.614 -7.279 -4.483
122 HB ARG 16 2HB ARG 16 0.838 -10.045 -5.346
123 HB ARG 16 QB ARG 16 0.838 -10.045 -5.346
124 HG ARG 16 2HG ARG 16 0.896 -7.349 -6.439
125 HG ARG 16 QG ARG 16 0.896 -7.349 -6.439
126 HD ARG 16 2HD ARG 16 3.246 -9.083 -7.024
127 HD ARG 16 QD ARG 16 3.246 -9.083 -7.024
128 HE ARG 16 HE ARG 16 2.456 -9.437 -9.217
129 1HH1 ARG 16 2HH2 ARG 16 1.899 -6.065 -8.279
130 2HH1 ARG 16 1HH2 ARG 16 1.468 -5.562 -9.879
131 HH2 ARG 16 1HH ARG 16 1.468 -7.170 -11.657
132 H LEU 17 H LEU 17 -1.306 -7.240 -3.305
133 HA LEU 17 HA LEU 17 -2.101 -9.694 -1.944
134 HB LEU 17 2HB LEU 17 -3.972 -7.947 -1.212
135 HB LEU 17 QB LEU 17 -3.972 -7.947 -1.212
136 HG LEU 17 HG LEU 17 -1.184 -8.227 -0.114
137 1HD1 LEU 17 3HD1 LEU 17 -2.720 -5.902 0.227
138 2HD1 LEU 17 1HD1 LEU 17 -2.925 -6.842 1.725
139 3HD1 LEU 17 2HD1 LEU 17 -1.293 -6.413 1.160
140 1HD2 LEU 17 1HD2 LEU 17 -3.927 -9.202 0.610
141 2HD2 LEU 17 2HD2 LEU 17 -2.397 -10.099 0.464
142 3HD2 LEU 17 3HD2 LEU 17 -2.678 -9.044 1.869
143 H THR 18 H THR 18 -3.729 -10.991 -2.667
144 HA THR 18 HA THR 18 -5.402 -9.923 -4.839
145 HB THR 18 HB THR 18 -5.162 -12.438 -5.675
146 HG1 THR 18 1HG THR 18 -2.701 -11.864 -4.187
147 1HG2 THR 18 3HG2 THR 18 -3.157 -10.181 -5.939
148 2HG2 THR 18 1HG2 THR 18 -2.743 -11.778 -6.606
149 3HG2 THR 18 2HG2 THR 18 -4.186 -10.915 -7.191
150 H GLY 19 H GLY 19 -7.439 -9.818 -4.156
151 1HA GLY 19 1HA GLY 19 -9.068 -11.838 -3.513
152 2HA GLY 19 2HA GLY 19 -8.306 -11.520 -1.968
153 H GLU 20 H GLU 20 -9.251 -10.007 -0.667
154 HA GLU 20 HA GLU 20 -10.864 -7.991 -2.026
155 HB GLU 20 2HB GLU 20 -11.978 -8.297 0.535
156 HB GLU 20 QB GLU 20 -11.978 -8.297 0.535
157 HG GLU 20 2HG GLU 20 -12.880 -8.209 -2.049
158 HG GLU 20 QG GLU 20 -12.880 -8.209 -2.049
159 HE2 GLU 20 HE GLU 20 -15.009 -10.352 -1.100
160 H LEU 21 H LEU 21 -11.174 -5.950 -0.689
161 HA LEU 21 HA LEU 21 -8.846 -5.537 1.055
162 HB LEU 21 2HB LEU 21 -9.452 -3.064 -0.002
163 HB LEU 21 QB LEU 21 -9.452 -3.064 -0.002
164 HG LEU 21 HG LEU 21 -7.357 -3.029 -0.873
165 1HD1 LEU 21 3HD1 LEU 21 -7.404 -4.194 1.452
166 2HD1 LEU 21 1HD1 LEU 21 -6.882 -5.633 0.546
167 3HD1 LEU 21 2HD1 LEU 21 -5.891 -4.155 0.517
168 1HD2 LEU 21 2HD2 LEU 21 -8.278 -5.167 -2.422
169 2HD2 LEU 21 3HD2 LEU 21 -6.752 -4.271 -2.612
170 3HD2 LEU 21 1HD2 LEU 21 -6.794 -5.763 -1.642
171 H ASP 22 H ASP 22 -10.252 -6.157 2.848
172 HA ASP 22 HA ASP 22 -11.903 -3.893 3.593
173 HB ASP 22 2HB ASP 22 -13.311 -5.846 2.700
174 HB ASP 22 QB ASP 22 -13.311 -5.846 2.700
175 HD1 ASP 22 HD ASP 22 -13.103 -8.597 3.051
176 H HIS 23 H HIS 23 -12.612 -4.443 6.127
177 HA HIS 23 HA HIS 23 -10.365 -4.282 7.629
178 HB HIS 23 2HB HIS 23 -12.861 -3.897 8.202
179 HB HIS 23 QB HIS 23 -12.861 -3.897 8.202
180 HD1 HIS 23 1HD HIS 23 -12.421 -6.328 10.871
181 HD2 HIS 23 2HD HIS 23 -14.394 -6.255 7.170
182 HE1 HIS 23 1HE HIS 23 -14.114 -8.236 10.926
183 H HIS 24 H HIS 24 -11.903 -7.162 6.265
184 HA HIS 24 HA HIS 24 -10.597 -8.999 7.970
185 HB HIS 24 2HB HIS 24 -11.242 -10.591 6.018
186 HB HIS 24 QB HIS 24 -11.242 -10.591 6.018
187 HD1 HIS 24 1HD HIS 24 -12.148 -11.566 8.315
188 HD2 HIS 24 2HD HIS 24 -14.482 -8.522 6.621
189 HE1 HIS 24 1HE HIS 24 -14.394 -11.632 9.523
190 H THR 25 H THR 25 -10.022 -7.909 4.551
191 HA THR 25 HA THR 25 -7.504 -9.299 4.476
192 HB THR 25 HB THR 25 -7.611 -8.785 2.186
193 HG1 THR 25 1HG THR 25 -8.561 -6.362 3.391
194 1HG2 THR 25 2HG2 THR 25 -10.084 -9.444 3.269
195 2HG2 THR 25 3HG2 THR 25 -10.448 -7.911 2.441
196 3HG2 THR 25 1HG2 THR 25 -9.766 -9.277 1.526
197 H ALA 26 H ALA 26 -8.668 -6.066 5.304
198 HA ALA 26 HA ALA 26 -6.205 -4.747 4.953
199 1HB ALA 26 2HB ALA 26 -8.857 -4.236 6.197
200 2HB ALA 26 3HB ALA 26 -7.501 -3.297 6.863
201 3HB ALA 26 1HB ALA 26 -7.879 -3.206 5.126
202 H GLU 27 H GLU 27 -7.286 -7.141 7.192
203 HA GLU 27 HA GLU 27 -5.781 -6.245 9.400
204 HB GLU 27 2HB GLU 27 -6.192 -9.095 9.491
205 HB GLU 27 QB GLU 27 -6.192 -9.095 9.491
206 HG GLU 27 2HG GLU 27 -6.632 -6.817 11.091
207 HG GLU 27 QG GLU 27 -6.632 -6.817 11.091
208 HE2 GLU 27 HE GLU 27 -9.128 -5.567 10.780
209 H THR 28 H THR 28 -5.271 -8.675 6.768
210 HA THR 28 HA THR 28 -2.935 -9.814 7.592
211 HB THR 28 HB THR 28 -4.312 -9.219 5.000
212 HG1 THR 28 1HG THR 28 -2.894 -11.440 6.299
213 1HG2 THR 28 3HG2 THR 28 -1.335 -9.741 5.251
214 2HG2 THR 28 1HG2 THR 28 -2.250 -10.562 3.964
215 3HG2 THR 28 2HG2 THR 28 -2.203 -8.784 4.027
216 H LEU 29 H LEU 29 -3.300 -6.674 5.834
217 HA LEU 29 HA LEU 29 -0.514 -6.209 5.788
218 HB LEU 29 2HB LEU 29 -2.994 -4.700 5.156
219 HB LEU 29 QB LEU 29 -2.994 -4.700 5.156
220 HG LEU 29 HG LEU 29 -1.709 -2.705 4.510
221 1HD1 LEU 29 3HD1 LEU 29 -2.855 -3.198 6.893
222 2HD1 LEU 29 1HD1 LEU 29 -1.201 -2.822 7.430
223 3HD1 LEU 29 2HD1 LEU 29 -2.111 -1.640 6.461
224 1HD2 LEU 29 2HD2 LEU 29 0.526 -4.206 4.815
225 2HD2 LEU 29 3HD2 LEU 29 0.509 -2.427 4.773
226 3HD2 LEU 29 1HD2 LEU 29 0.544 -3.280 6.335
227 H LYS 30 H LYS 30 -3.085 -5.745 8.167
228 HA LYS 30 HA LYS 30 -2.081 -3.732 9.705
229 HB LYS 30 2HB LYS 30 -3.248 -6.206 10.960
230 HB LYS 30 QB LYS 30 -3.248 -6.206 10.960
231 HG LYS 30 2HG LYS 30 -4.497 -3.634 11.515
232 HG LYS 30 QG LYS 30 -4.497 -3.634 11.515
233 HD LYS 30 2HD LYS 30 -4.169 -5.929 12.880
234 HD LYS 30 QD LYS 30 -4.169 -5.929 12.880
235 HE LYS 30 2HE LYS 30 -1.670 -4.354 13.332
236 HE LYS 30 QE LYS 30 -1.670 -4.354 13.332
237 1HZ LYS 30 1HZ LYS 30 -1.792 -4.324 15.568
238 2HZ LYS 30 2HZ LYS 30 -3.396 -4.571 15.451
239 H GLN 31 H GLN 31 -1.072 -7.187 9.581
240 HA GLN 31 HA GLN 31 0.769 -6.836 11.701
241 HB GLN 31 2HB GLN 31 -0.378 -9.017 10.979
242 HB GLN 31 QB GLN 31 -0.378 -9.017 10.979
243 HG GLN 31 2HG GLN 31 1.925 -9.587 9.181
244 HG GLN 31 QG GLN 31 1.925 -9.587 9.181
245 1HE2 GLN 31 2HE2 GLN 31 -2.024 -10.857 8.966
246 2HE2 GLN 31 1HE2 GLN 31 -1.608 -9.264 9.503
247 H LYS 32 H LYS 32 0.812 -6.522 8.163
248 HA LYS 32 HA LYS 32 3.610 -6.641 7.857
249 HB LYS 32 2HB LYS 32 1.500 -5.334 6.114
250 HB LYS 32 QB LYS 32 1.500 -5.334 6.114
251 HG LYS 32 2HG LYS 32 3.475 -6.264 4.460
252 HG LYS 32 QG LYS 32 3.475 -6.264 4.460
253 HD LYS 32 2HD LYS 32 3.333 -3.534 5.821
254 HD LYS 32 QD LYS 32 3.333 -3.534 5.821
255 HE LYS 32 2HE LYS 32 4.494 -2.732 3.738
256 HE LYS 32 QE LYS 32 4.494 -2.732 3.738
257 1HZ LYS 32 1HZ LYS 32 6.126 -4.794 5.104
258 2HZ LYS 32 2HZ LYS 32 6.644 -3.386 4.468
259 H VAL 33 H VAL 33 1.566 -4.383 9.413
260 HA VAL 33 HA VAL 33 3.059 -2.041 8.753
261 HB VAL 33 HB VAL 33 1.186 -2.506 11.075
262 1HG1 VAL 33 1HG1 VAL 33 2.481 -0.148 9.835
263 2HG1 VAL 33 2HG1 VAL 33 0.751 0.036 10.211
264 3HG1 VAL 33 3HG1 VAL 33 1.900 -0.401 11.498
265 1HG2 VAL 33 1HG2 VAL 33 0.625 -2.184 8.150
266 2HG2 VAL 33 2HG2 VAL 33 -0.221 -3.155 9.378
267 3HG2 VAL 33 3HG2 VAL 33 -0.461 -1.393 9.318
268 H THR 34 H THR 34 2.753 -4.141 11.705
269 HA THR 34 HA THR 34 4.673 -2.865 13.226
270 HB THR 34 HB THR 34 3.239 -4.484 14.259
271 HG1 THR 34 1HG THR 34 5.408 -4.688 15.048
272 1HG2 THR 34 2HG2 THR 34 4.266 -6.391 12.097
273 2HG2 THR 34 3HG2 THR 34 3.423 -6.951 13.562
274 3HG2 THR 34 1HG2 THR 34 2.579 -5.908 12.392
275 H GLN 35 H GLN 35 5.065 -5.282 10.611
276 HA GLN 35 HA GLN 35 7.742 -5.790 11.124
277 HB GLN 35 2HB GLN 35 7.712 -6.427 8.592
278 HB GLN 35 QB GLN 35 7.712 -6.427 8.592
279 HG GLN 35 2HG GLN 35 6.096 -7.597 10.842
280 HG GLN 35 QG GLN 35 6.096 -7.597 10.842
281 1HE2 GLN 35 2HE2 GLN 35 3.564 -8.671 8.646
282 2HE2 GLN 35 1HE2 GLN 35 4.025 -7.549 9.883
283 H SER 36 H SER 36 6.099 -3.373 8.994
284 HA SER 36 HA SER 36 8.570 -2.348 8.074
285 HB SER 36 2HB SER 36 6.126 -0.646 7.886
286 HB SER 36 QB SER 36 6.126 -0.646 7.886
287 HG SER 36 HG SER 36 8.205 -0.485 6.598
288 H LEU 37 H LEU 37 6.481 -1.862 10.851
289 HA LEU 37 HA LEU 37 6.952 0.762 11.497
290 HB LEU 37 2HB LEU 37 7.005 -0.810 13.871
291 HB LEU 37 QB LEU 37 7.005 -0.810 13.871
292 HG LEU 37 HG LEU 37 5.726 1.341 13.471
293 1HD1 LEU 37 2HD1 LEU 37 3.802 -0.546 12.085
294 2HD1 LEU 37 3HD1 LEU 37 3.432 1.125 12.576
295 3HD1 LEU 37 1HD1 LEU 37 4.687 0.814 11.352
296 1HD2 LEU 37 2HD2 LEU 37 5.282 -0.755 15.219
297 2HD2 LEU 37 3HD2 LEU 37 4.608 0.888 15.346
298 3HD2 LEU 37 1HD2 LEU 37 3.661 -0.406 14.573
299 H GLU 38 H GLU 38 9.046 -2.124 11.919
300 HA GLU 38 HA GLU 38 11.301 -0.422 12.036
301 HB GLU 38 2HB GLU 38 12.100 -1.384 14.282
302 HB GLU 38 QB GLU 38 12.100 -1.384 14.282
303 HG GLU 38 2HG GLU 38 9.591 0.304 14.585
304 HG GLU 38 QG GLU 38 9.591 0.304 14.585
305 HE2 GLU 38 HE GLU 38 9.965 1.504 16.802
306 H LYS 39 H LYS 39 11.414 -1.848 10.053
307 HA LYS 39 HA LYS 39 11.782 -4.640 10.418
308 HB LYS 39 2HB LYS 39 12.840 -3.340 7.974
309 HB LYS 39 QB LYS 39 12.840 -3.340 7.974
310 HG LYS 39 2HG LYS 39 10.620 -5.394 8.324
311 HG LYS 39 QG LYS 39 10.620 -5.394 8.324
312 HD LYS 39 2HD LYS 39 11.368 -4.223 6.048
313 HD LYS 39 QD LYS 39 11.368 -4.223 6.048
314 HE LYS 39 2HE LYS 39 13.661 -6.011 6.780
315 HE LYS 39 QE LYS 39 13.661 -6.011 6.780
316 1HZ LYS 39 1HZ LYS 39 13.709 -5.934 4.049
317 2HZ LYS 39 2HZ LYS 39 13.383 -7.259 4.937
318 H ASP 40 H ASP 40 13.978 -1.809 9.918
319 HA ASP 40 HA ASP 40 15.906 -2.638 11.584
320 HB ASP 40 2HB ASP 40 17.578 -3.340 9.529
321 HB ASP 40 QB ASP 40 17.578 -3.340 9.529
322 HD1 ASP 40 HD ASP 40 17.083 -5.402 12.500
323 H ASP 41 H ASP 41 16.885 -2.145 8.172
324 HA ASP 41 HA ASP 41 17.995 0.370 8.845
325 HB ASP 41 2HB ASP 41 17.670 -1.029 6.147
326 HB ASP 41 QB ASP 41 17.670 -1.029 6.147
327 HD1 ASP 41 HD ASP 41 20.095 2.161 6.465
328 H ILE 42 H ILE 42 16.886 0.483 5.613
329 HA ILE 42 HA ILE 42 14.289 1.598 6.211
330 HB ILE 42 HB ILE 42 16.671 3.241 5.624
331 HG1 ILE 42 2HG1 ILE 42 15.317 4.933 6.837
332 HG1 ILE 42 QG1 ILE 42 15.317 4.933 6.837
333 1HG2 ILE 42 3HG2 ILE 42 14.153 3.437 4.025
334 2HG2 ILE 42 1HG2 ILE 42 14.958 4.937 4.545
335 3HG2 ILE 42 2HG2 ILE 42 15.841 3.750 3.555
336 1HD1 ILE 42 1HD1 ILE 42 13.183 3.091 6.212
337 2HD1 ILE 42 2HD1 ILE 42 13.356 3.185 7.980
338 3HD1 ILE 42 3HD1 ILE 42 13.081 4.666 7.033
339 H ARG 43 H ARG 43 13.552 -0.208 4.975
340 HA ARG 43 HA ARG 43 14.569 -0.487 2.331
341 HB ARG 43 2HB ARG 43 12.279 -2.068 2.462
342 HB ARG 43 QB ARG 43 12.279 -2.068 2.462
343 HG ARG 43 2HG ARG 43 14.255 -3.166 1.823
344 HG ARG 43 QG ARG 43 14.255 -3.166 1.823
345 HD ARG 43 2HD ARG 43 15.445 -1.610 4.086
346 HD ARG 43 QD ARG 43 15.445 -1.610 4.086
347 HE ARG 43 HE ARG 43 16.936 -4.049 3.285
348 1HH1 ARG 43 2HH2 ARG 43 15.113 -2.348 5.804
349 2HH1 ARG 43 1HH2 ARG 43 15.708 -3.351 7.084
350 HH2 ARG 43 1HH ARG 43 17.239 -5.122 6.574
351 H HIS 44 H HIS 44 12.145 -1.189 0.928
352 HA HIS 44 HA HIS 44 10.618 1.299 1.023
353 HB HIS 44 2HB HIS 44 10.609 1.253 -1.504
354 HB HIS 44 QB HIS 44 10.609 1.253 -1.504
355 HD1 HIS 44 1HD HIS 44 11.591 3.223 0.692
356 HD2 HIS 44 2HD HIS 44 14.069 1.495 -2.220
357 HE1 HIS 44 1HE HIS 44 13.609 4.767 0.463
358 H ILE 45 H ILE 45 8.463 1.090 -0.085
359 HA ILE 45 HA ILE 45 7.535 -1.685 0.155
360 HB ILE 45 HB ILE 45 5.316 -0.649 0.618
361 HG1 ILE 45 2HG1 ILE 45 6.572 1.927 1.382
362 HG1 ILE 45 QG1 ILE 45 6.572 1.927 1.382
363 1HG2 ILE 45 3HG2 ILE 45 7.667 -0.740 2.350
364 2HG2 ILE 45 1HG2 ILE 45 6.426 0.400 2.921
365 3HG2 ILE 45 2HG2 ILE 45 6.004 -1.306 2.635
366 1HD1 ILE 45 2HD1 ILE 45 7.469 1.551 -0.931
367 2HD1 ILE 45 3HD1 ILE 45 5.805 1.282 -1.502
368 3HD1 ILE 45 1HD1 ILE 45 6.281 2.875 -0.866
369 H VAL 46 H VAL 46 5.664 -2.249 -1.313
370 HA VAL 46 HA VAL 46 5.358 -0.636 -3.660
371 HB VAL 46 HB VAL 46 7.242 -2.901 -3.574
372 1HG1 VAL 46 2HG1 VAL 46 5.357 -3.977 -4.731
373 2HG1 VAL 46 3HG1 VAL 46 5.298 -2.629 -5.892
374 3HG1 VAL 46 1HG1 VAL 46 6.723 -3.692 -5.835
375 1HG2 VAL 46 3HG2 VAL 46 7.687 -0.438 -4.163
376 2HG2 VAL 46 1HG2 VAL 46 8.382 -1.679 -5.234
377 3HG2 VAL 46 2HG2 VAL 46 6.913 -0.801 -5.724
378 H LEU 47 H LEU 47 3.166 -0.688 -2.872
379 HA LEU 47 HA LEU 47 1.901 -3.259 -2.611
380 HB LEU 47 2HB LEU 47 -0.144 -1.745 -2.314
381 HB LEU 47 QB LEU 47 -0.144 -1.745 -2.314
382 HG LEU 47 HG LEU 47 0.337 -1.131 -0.061
383 1HD1 LEU 47 1HD1 LEU 47 0.759 -3.709 -1.061
384 2HD1 LEU 47 2HD1 LEU 47 2.069 -3.444 0.113
385 3HD1 LEU 47 3HD1 LEU 47 0.373 -3.246 0.613
386 1HD2 LEU 47 3HD2 LEU 47 2.814 -0.347 -0.991
387 2HD2 LEU 47 1HD2 LEU 47 2.291 -0.378 0.710
388 3HD2 LEU 47 2HD2 LEU 47 3.191 -1.755 0.031
389 H ASN 48 H ASN 48 0.121 -4.001 -3.945
390 HA ASN 48 HA ASN 48 -0.634 -2.658 -6.246
391 HB ASN 48 2HB ASN 48 1.287 -3.096 -7.485
392 HB ASN 48 QB ASN 48 1.287 -3.096 -7.485
393 1HD2 ASN 48 2HD2 ASN 48 4.008 -5.185 -6.655
394 2HD2 ASN 48 1HD2 ASN 48 3.231 -4.265 -7.900
395 H LEU 49 H LEU 49 -2.748 -3.449 -6.097
396 HA LEU 49 HA LEU 49 -3.065 -6.306 -5.535
397 HB LEU 49 2HB LEU 49 -4.220 -4.049 -4.388
398 HB LEU 49 QB LEU 49 -4.220 -4.049 -4.388
399 HG LEU 49 HG LEU 49 -5.976 -5.000 -6.504
400 1HD1 LEU 49 2HD1 LEU 49 -6.572 -5.993 -3.875
401 2HD1 LEU 49 3HD1 LEU 49 -7.807 -4.806 -4.361
402 3HD1 LEU 49 1HD1 LEU 49 -7.466 -6.213 -5.398
403 1HD2 LEU 49 1HD2 LEU 49 -5.337 -2.612 -5.386
404 2HD2 LEU 49 2HD2 LEU 49 -6.784 -2.905 -6.380
405 3HD2 LEU 49 3HD2 LEU 49 -6.903 -2.936 -4.604
406 H GLU 50 H GLU 50 -3.729 -7.655 -7.125
407 HA GLU 50 HA GLU 50 -4.593 -6.360 -9.580
408 HB GLU 50 2HB GLU 50 -4.075 -9.230 -9.802
409 HB GLU 50 QB GLU 50 -4.075 -9.230 -9.802
410 HG GLU 50 2HG GLU 50 -2.204 -8.182 -11.335
411 HG GLU 50 QG GLU 50 -2.204 -8.182 -11.335
412 HE2 GLU 50 HE GLU 50 -3.321 -9.626 -12.638
413 H ASP 51 H ASP 51 -5.629 -8.369 -6.911
414 HA ASP 51 HA ASP 51 -7.975 -9.175 -8.420
415 HB ASP 51 2HB ASP 51 -6.761 -10.094 -5.782
416 HB ASP 51 QB ASP 51 -6.761 -10.094 -5.782
417 HD2 ASP 51 HD ASP 51 -7.757 -12.163 -5.155
418 H LEU 52 H LEU 52 -8.490 -6.681 -8.178
419 HA LEU 52 HA LEU 52 -9.389 -5.985 -5.503
420 HB LEU 52 2HB LEU 52 -9.055 -4.445 -8.071
421 HB LEU 52 QB LEU 52 -9.055 -4.445 -8.071
422 HG LEU 52 HG LEU 52 -9.611 -2.409 -6.945
423 1HD1 LEU 52 2HD1 LEU 52 -11.448 -4.075 -7.886
424 2HD1 LEU 52 3HD1 LEU 52 -11.991 -4.044 -6.192
425 3HD1 LEU 52 1HD1 LEU 52 -11.881 -2.528 -7.119
426 1HD2 LEU 52 1HD2 LEU 52 -8.829 -3.183 -4.681
427 2HD2 LEU 52 2HD2 LEU 52 -10.325 -2.217 -4.684
428 3HD2 LEU 52 3HD2 LEU 52 -10.407 -3.984 -4.487
429 H SER 53 H SER 53 -11.464 -6.193 -4.843
430 HA SER 53 HA SER 53 -13.486 -6.268 -6.921
431 HB SER 53 2HB SER 53 -12.972 -8.373 -4.802
432 HB SER 53 QB SER 53 -12.972 -8.373 -4.802
433 HG SER 53 HG SER 53 -15.064 -9.117 -4.982
434 H PHE 54 H PHE 54 -13.793 -7.087 -3.428
435 HA PHE 54 HA PHE 54 -15.861 -5.264 -3.030
436 HB PHE 54 2HB PHE 54 -13.847 -6.706 -1.212
437 HB PHE 54 QB PHE 54 -13.847 -6.706 -1.212
438 HD1 PHE 54 1HD PHE 54 -16.608 -4.326 -1.264
439 HD2 PHE 54 2HD PHE 54 -14.364 -6.987 1.164
440 HE1 PHE 54 1HE PHE 54 -17.539 -3.233 0.796
441 HE2 PHE 54 2HE PHE 54 -15.295 -5.894 3.222
442 HZ PHE 54 HZ PHE 54 -16.871 -4.030 3.014
443 H MET 55 H MET 55 -12.459 -5.175 -1.732
444 HA MET 55 HA MET 55 -11.380 -3.498 -0.783
445 HB MET 55 2HB MET 55 -11.916 -2.997 -3.625
446 HB MET 55 QB MET 55 -11.916 -2.997 -3.625
447 HG MET 55 2HG MET 55 -10.861 -0.554 -3.325
448 HG MET 55 QG MET 55 -10.861 -0.554 -3.325
449 1HE MET 55 2HE MET 55 -12.365 -2.158 -5.216
450 2HE MET 55 3HE MET 55 -13.609 -2.915 -4.192
451 3HE MET 55 1HE MET 55 -14.086 -1.800 -5.494
452 H ASP 56 H ASP 56 -12.533 -2.817 1.058
453 HA ASP 56 HA ASP 56 -14.458 -0.691 0.574
454 HB ASP 56 2HB ASP 56 -14.014 -2.624 2.880
455 HB ASP 56 QB ASP 56 -14.014 -2.624 2.880
456 HD1 ASP 56 HD ASP 56 -16.918 -0.892 2.405
457 H SER 57 H SER 57 -14.460 0.950 2.605
458 HA SER 57 HA SER 57 -11.903 2.094 2.650
459 HB SER 57 2HB SER 57 -14.360 3.114 2.932
460 HB SER 57 QB SER 57 -14.360 3.114 2.932
461 HG SER 57 HG SER 57 -13.775 3.661 5.552
462 H SER 58 H SER 58 -13.100 -0.587 4.262
463 HA SER 58 HA SER 58 -12.422 -0.217 6.879
464 HB SER 58 2HB SER 58 -12.026 -2.755 6.851
465 HB SER 58 QB SER 58 -12.026 -2.755 6.851
466 HG SER 58 HG SER 58 -14.301 -1.343 6.402
467 H GLY 59 H GLY 59 -10.386 -0.991 4.026
468 1HA GLY 59 1HA GLY 59 -8.002 -1.241 5.705
469 2HA GLY 59 2HA GLY 59 -8.140 -1.580 3.991
470 H LEU 60 H LEU 60 -9.825 1.198 4.090
471 HA LEU 60 HA LEU 60 -7.917 2.748 2.876
472 HB LEU 60 2HB LEU 60 -9.857 4.331 4.340
473 HB LEU 60 QB LEU 60 -9.857 4.331 4.340
474 HG LEU 60 HG LEU 60 -10.820 4.631 1.997
475 1HD1 LEU 60 3HD1 LEU 60 -7.963 5.417 2.618
476 2HD1 LEU 60 1HD1 LEU 60 -8.924 6.096 1.283
477 3HD1 LEU 60 2HD1 LEU 60 -9.449 6.334 2.967
478 1HD2 LEU 60 1HD2 LEU 60 -9.742 2.446 1.192
479 2HD2 LEU 60 2HD2 LEU 60 -9.683 3.855 0.106
480 3HD2 LEU 60 3HD2 LEU 60 -8.242 3.393 1.044
481 H GLY 61 H GLY 61 -8.841 2.577 6.363
482 1HA GLY 61 1HA GLY 61 -6.933 4.597 7.113
483 2HA GLY 61 2HA GLY 61 -7.917 3.601 8.169
484 H VAL 62 H VAL 62 -7.093 1.011 6.955
485 HA VAL 62 HA VAL 62 -4.841 0.539 8.562
486 HB VAL 62 HB VAL 62 -6.806 -0.929 7.269
487 1HG1 VAL 62 2HG1 VAL 62 -5.436 -1.027 5.229
488 2HG1 VAL 62 3HG1 VAL 62 -4.091 -1.726 6.161
489 3HG1 VAL 62 1HG1 VAL 62 -5.610 -2.635 5.972
490 1HG2 VAL 62 3HG2 VAL 62 -5.287 -1.204 9.463
491 2HG2 VAL 62 1HG2 VAL 62 -6.227 -2.547 8.768
492 3HG2 VAL 62 2HG2 VAL 62 -4.487 -2.406 8.423
493 H ILE 63 H ILE 63 -5.264 1.714 5.284
494 HA ILE 63 HA ILE 63 -2.501 1.073 4.624
495 HB ILE 63 HB ILE 63 -4.951 1.819 3.130
496 HG1 ILE 63 2HG1 ILE 63 -3.267 -0.427 3.385
497 HG1 ILE 63 QG1 ILE 63 -3.267 -0.427 3.385
498 1HG2 ILE 63 1HG2 ILE 63 -2.242 2.878 2.482
499 2HG2 ILE 63 2HG2 ILE 63 -3.229 2.243 1.144
500 3HG2 ILE 63 3HG2 ILE 63 -3.854 3.561 2.165
501 1HD1 ILE 63 2HD1 ILE 63 -5.848 0.150 2.594
502 2HD1 ILE 63 3HD1 ILE 63 -5.103 -0.343 1.055
503 3HD1 ILE 63 1HD1 ILE 63 -5.083 -1.450 2.448
504 H LEU 64 H LEU 64 -4.692 3.814 5.360
505 HA LEU 64 HA LEU 64 -2.800 5.812 4.736
506 HB LEU 64 2HB LEU 64 -4.864 6.375 6.770
507 HB LEU 64 QB LEU 64 -4.864 6.375 6.770
508 HG LEU 64 HG LEU 64 -3.583 7.789 4.630
509 1HD1 LEU 64 1HD1 LEU 64 -6.602 7.669 4.400
510 2HD1 LEU 64 2HD1 LEU 64 -5.546 8.841 3.575
511 3HD1 LEU 64 3HD1 LEU 64 -5.418 7.106 3.197
512 1HD2 LEU 64 2HD2 LEU 64 -5.235 8.350 7.022
513 2HD2 LEU 64 3HD2 LEU 64 -3.696 9.066 6.484
514 3HD2 LEU 64 1HD2 LEU 64 -5.230 9.605 5.760
515 H GLY 65 H GLY 65 -3.796 4.194 7.820
516 1HA GLY 65 1HA GLY 65 -2.139 5.615 9.541
517 2HA GLY 65 2HA GLY 65 -2.729 3.983 9.785
518 H ARG 66 H ARG 66 -1.396 3.124 7.132
519 HA ARG 66 HA ARG 66 1.077 2.462 8.371
520 HB ARG 66 2HB ARG 66 0.972 1.678 5.576
521 HB ARG 66 QB ARG 66 0.972 1.678 5.576
522 HG ARG 66 2HG ARG 66 0.352 -0.585 6.982
523 HG ARG 66 QG ARG 66 0.352 -0.585 6.982
524 HD ARG 66 2HD ARG 66 3.000 -0.476 7.554
525 HD ARG 66 QD ARG 66 3.000 -0.476 7.554
526 HE ARG 66 HE ARG 66 2.285 -1.948 5.779
527 1HH1 ARG 66 2HH2 ARG 66 2.676 1.406 4.704
528 2HH1 ARG 66 1HH2 ARG 66 2.723 0.992 3.023
529 HH2 ARG 66 1HH ARG 66 2.528 -1.307 2.374
530 H TYR 67 H TYR 67 -0.157 4.692 5.897
531 HA TYR 67 HA TYR 67 2.233 5.219 4.550
532 HB TYR 67 2HB TYR 67 0.188 7.374 5.165
533 HB TYR 67 QB TYR 67 0.188 7.374 5.165
534 HD1 TYR 67 2HD TYR 67 1.735 8.845 3.930
535 HD2 TYR 67 1HD TYR 67 0.066 5.348 2.116
536 HE1 TYR 67 2HE TYR 67 2.411 9.705 1.635
537 HE2 TYR 67 1HE TYR 67 0.747 6.220 -0.174
538 HH TYR 67 HH TYR 67 2.731 7.917 -0.935
539 H LYS 68 H LYS 68 0.754 6.669 7.509
540 HA LYS 68 HA LYS 68 2.797 8.643 7.730
541 HB LYS 68 2HB LYS 68 1.614 9.420 9.556
542 HB LYS 68 QB LYS 68 1.614 9.420 9.556
543 HG LYS 68 2HG LYS 68 0.125 8.641 7.337
544 HG LYS 68 QG LYS 68 0.125 8.641 7.337
545 HD LYS 68 2HD LYS 68 -0.668 6.646 8.741
546 HD LYS 68 QD LYS 68 -0.668 6.646 8.741
547 HE LYS 68 2HE LYS 68 -2.701 7.668 10.254
548 HE LYS 68 QE LYS 68 -2.701 7.668 10.254
549 1HZ LYS 68 1HZ LYS 68 -0.827 7.513 12.094
550 2HZ LYS 68 2HZ LYS 68 -1.370 6.170 11.354
551 H GLN 69 H GLN 69 2.300 5.299 8.813
552 HA GLN 69 HA GLN 69 4.372 5.445 10.743
553 HB GLN 69 2HB GLN 69 3.885 2.728 9.987
554 HB GLN 69 QB GLN 69 3.885 2.728 9.987
555 HG GLN 69 2HG GLN 69 2.509 2.818 12.176
556 HG GLN 69 QG GLN 69 2.509 2.818 12.176
557 1HE2 GLN 69 2HE2 GLN 69 5.521 3.272 14.299
558 2HE2 GLN 69 1HE2 GLN 69 3.881 3.829 14.286
559 H ILE 70 H ILE 70 3.997 3.996 7.437
560 HA ILE 70 HA ILE 70 6.543 2.933 7.247
561 HB ILE 70 HB ILE 70 4.767 2.355 5.740
562 HG1 ILE 70 2HG1 ILE 70 6.993 3.715 4.196
563 HG1 ILE 70 QG1 ILE 70 6.993 3.715 4.196
564 1HG2 ILE 70 2HG2 ILE 70 4.111 4.998 5.694
565 2HG2 ILE 70 3HG2 ILE 70 4.879 4.802 4.101
566 3HG2 ILE 70 1HG2 ILE 70 3.497 3.776 4.555
567 1HD1 ILE 70 2HD1 ILE 70 6.820 0.989 5.558
568 2HD1 ILE 70 3HD1 ILE 70 8.066 1.435 4.367
569 3HD1 ILE 70 1HD1 ILE 70 7.975 2.294 5.923
570 H LYS 71 H LYS 71 5.342 6.270 6.813
571 HA LYS 71 HA LYS 71 7.798 7.191 5.690
572 HB LYS 71 2HB LYS 71 6.421 9.404 6.654
573 HB LYS 71 QB LYS 71 6.421 9.404 6.654
574 HG LYS 71 2HG LYS 71 5.878 8.000 4.003
575 HG LYS 71 QG LYS 71 5.878 8.000 4.003
576 HD LYS 71 2HD LYS 71 5.086 10.503 5.066
577 HD LYS 71 QD LYS 71 5.086 10.503 5.066
578 HE LYS 71 2HE LYS 71 6.421 11.648 2.876
579 HE LYS 71 QE LYS 71 6.421 11.648 2.876
580 1HZ LYS 71 1HZ LYS 71 7.188 13.087 4.500
581 2HZ LYS 71 2HZ LYS 71 5.966 12.402 5.329
582 H GLN 72 H GLN 72 6.465 6.665 8.920
583 HA GLN 72 HA GLN 72 8.264 8.409 10.207
584 HB GLN 72 2HB GLN 72 5.970 7.045 10.934
585 HB GLN 72 QB GLN 72 5.970 7.045 10.934
586 HG GLN 72 2HG GLN 72 8.349 5.814 12.406
587 HG GLN 72 QG GLN 72 8.349 5.814 12.406
588 1HE2 GLN 72 2HE2 GLN 72 6.408 4.791 15.095
589 2HE2 GLN 72 1HE2 GLN 72 7.928 4.782 14.263
590 H ILE 73 H ILE 73 8.655 5.406 8.626
591 HA ILE 73 HA ILE 73 10.669 4.367 10.389
592 HB ILE 73 HB ILE 73 10.194 3.457 7.574
593 HG1 ILE 73 2HG1 ILE 73 8.363 1.999 8.448
594 HG1 ILE 73 QG1 ILE 73 8.363 1.999 8.448
595 1HG2 ILE 73 2HG2 ILE 73 11.768 2.559 9.721
596 2HG2 ILE 73 3HG2 ILE 73 10.407 1.418 9.605
597 3HG2 ILE 73 1HG2 ILE 73 11.436 1.723 8.185
598 1HD1 ILE 73 3HD1 ILE 73 8.746 3.816 10.853
599 2HD1 ILE 73 1HD1 ILE 73 7.172 3.067 10.498
600 3HD1 ILE 73 2HD1 ILE 73 8.592 2.043 10.817
601 H GLY 74 H GLY 74 10.452 6.420 7.491
602 1HA GLY 74 1HA GLY 74 12.269 8.014 7.252
603 2HA GLY 74 2HA GLY 74 13.394 6.717 7.600
604 H GLY 75 H GLY 75 10.550 5.922 5.680
605 1HA GLY 75 1HA GLY 75 12.204 5.998 3.227
606 2HA GLY 75 2HA GLY 75 11.216 4.617 3.662
607 H GLU 76 H GLU 76 9.541 4.572 2.205
608 HA GLU 76 HA GLU 76 7.701 6.743 2.319
609 HB GLU 76 2HB GLU 76 8.045 7.713 0.295
610 HB GLU 76 QB GLU 76 8.045 7.713 0.295
611 HG GLU 76 2HG GLU 76 10.377 6.929 -0.786
612 HG GLU 76 QG GLU 76 10.377 6.929 -0.786
613 HE2 GLU 76 HE GLU 76 11.453 8.344 2.498
614 H MET 77 H MET 77 5.615 6.179 1.199
615 HA MET 77 HA MET 77 5.436 3.288 0.838
616 HB MET 77 2HB MET 77 3.860 5.228 2.500
617 HB MET 77 QB MET 77 3.860 5.228 2.500
618 HG MET 77 2HG MET 77 2.569 3.144 0.715
619 HG MET 77 QG MET 77 2.569 3.144 0.715
620 1HE MET 77 1HE MET 77 0.112 2.509 1.038
621 2HE MET 77 2HE MET 77 1.140 1.208 1.686
622 3HE MET 77 3HE MET 77 -0.314 1.720 2.575
623 H VAL 78 H VAL 78 4.442 2.576 -1.033
624 HA VAL 78 HA VAL 78 3.006 4.611 -2.589
625 HB VAL 78 HB VAL 78 5.062 2.599 -3.507
626 1HG1 VAL 78 1HG1 VAL 78 2.889 3.996 -5.007
627 2HG1 VAL 78 2HG1 VAL 78 4.488 3.878 -5.781
628 3HG1 VAL 78 3HG1 VAL 78 3.630 2.401 -5.280
629 1HG2 VAL 78 2HG2 VAL 78 4.932 5.629 -3.558
630 2HG2 VAL 78 3HG2 VAL 78 6.100 4.597 -2.698
631 3HG2 VAL 78 1HG2 VAL 78 6.122 4.676 -4.476
632 H VAL 79 H VAL 79 1.282 3.778 -3.943
633 HA VAL 79 HA VAL 79 0.602 0.990 -3.607
634 HB VAL 79 HB VAL 79 -0.312 1.995 -1.593
635 1HG1 VAL 79 3HG1 VAL 79 -1.520 3.968 -3.529
636 2HG1 VAL 79 1HG1 VAL 79 -2.273 3.654 -1.947
637 3HG1 VAL 79 2HG1 VAL 79 -0.606 4.272 -2.033
638 1HG2 VAL 79 3HG2 VAL 79 -2.243 1.107 -3.734
639 2HG2 VAL 79 1HG2 VAL 79 -1.630 0.208 -2.325
640 3HG2 VAL 79 2HG2 VAL 79 -2.810 1.521 -2.100
641 H CYS 80 H CYS 80 -0.383 0.222 -5.436
642 HA CYS 80 HA CYS 80 -1.592 2.200 -7.203
643 HB CYS 80 2HB CYS 80 0.714 1.889 -8.008
644 HB CYS 80 QB CYS 80 0.714 1.889 -8.008
645 HG CYS 80 HG CYS 80 1.258 -0.486 -9.343
646 H ALA 81 H ALA 81 -2.283 0.423 -9.287
647 HA ALA 81 HA ALA 81 -3.587 -1.289 -9.860
648 1HB ALA 81 2HB ALA 81 -2.275 -2.275 -7.540
649 2HB ALA 81 3HB ALA 81 -3.999 -2.677 -7.358
650 3HB ALA 81 1HB ALA 81 -3.109 -3.212 -8.804
651 H ILE 82 H ILE 82 -4.416 1.344 -8.724
652 HA ILE 82 HA ILE 82 -6.687 0.939 -7.100
653 HB ILE 82 HB ILE 82 -5.209 3.036 -7.559
654 HG1 ILE 82 2HG1 ILE 82 -8.171 2.962 -7.004
655 HG1 ILE 82 QG1 ILE 82 -8.171 2.962 -7.004
656 1HG2 ILE 82 2HG2 ILE 82 -6.400 2.817 -10.063
657 2HG2 ILE 82 3HG2 ILE 82 -7.285 4.141 -9.268
658 3HG2 ILE 82 1HG2 ILE 82 -5.513 4.219 -9.418
659 1HD1 ILE 82 2HD1 ILE 82 -6.345 2.075 -5.392
660 2HD1 ILE 82 3HD1 ILE 82 -5.852 3.776 -5.215
661 3HD1 ILE 82 1HD1 ILE 82 -7.491 3.271 -4.739
662 H SER 83 H SER 83 -8.445 2.730 -8.824
663 HA SER 83 HA SER 83 -9.003 1.465 -11.201
664 HB SER 83 2HB SER 83 -11.324 0.606 -9.726
665 HB SER 83 QB SER 83 -11.324 0.606 -9.726
666 HG SER 83 HG SER 83 -9.391 -1.260 -10.663
667 HA PRO 84 HA PRO 84 -11.837 4.772 -11.312
668 HB PRO 84 2HB PRO 84 -12.344 4.461 -13.536
669 HB PRO 84 QB PRO 84 -12.344 4.461 -13.536
670 HG PRO 84 2HG PRO 84 -12.081 2.297 -14.290
671 HG PRO 84 QG PRO 84 -12.081 2.297 -14.290
672 HD PRO 84 2HD PRO 84 -10.547 1.517 -12.765
673 HD PRO 84 QD PRO 84 -10.547 1.517 -12.765
674 H ALA 85 H ALA 85 -12.771 1.946 -9.805
675 HA ALA 85 HA ALA 85 -14.951 3.431 -8.508
676 1HB ALA 85 1HB ALA 85 -14.889 0.712 -9.748
677 2HB ALA 85 2HB ALA 85 -15.762 0.877 -8.205
678 3HB ALA 85 3HB ALA 85 -16.230 1.874 -9.604
679 H VAL 86 H VAL 86 -12.066 3.279 -7.850
680 HA VAL 86 HA VAL 86 -12.409 2.194 -5.173
681 HB VAL 86 HB VAL 86 -10.417 1.271 -7.212
682 1HG1 VAL 86 2HG1 VAL 86 -9.052 2.178 -5.384
683 2HG1 VAL 86 3HG1 VAL 86 -9.973 1.212 -4.207
684 3HG1 VAL 86 1HG1 VAL 86 -8.965 0.401 -5.430
685 1HG2 VAL 86 3HG2 VAL 86 -12.644 0.139 -5.907
686 2HG2 VAL 86 1HG2 VAL 86 -11.461 -0.683 -6.954
687 3HG2 VAL 86 2HG2 VAL 86 -11.212 -0.640 -5.191
688 H LYS 87 H LYS 87 -10.626 4.145 -7.591
689 HA LYS 87 HA LYS 87 -9.043 5.455 -5.613
690 HB LYS 87 2HB LYS 87 -8.739 5.060 -8.253
691 HB LYS 87 QB LYS 87 -8.739 5.060 -8.253
692 HG LYS 87 2HG LYS 87 -9.810 7.906 -7.951
693 HG LYS 87 QG LYS 87 -9.810 7.906 -7.951
694 HD LYS 87 2HD LYS 87 -9.090 6.773 -10.618
695 HD LYS 87 QD LYS 87 -9.090 6.773 -10.618
696 HE LYS 87 2HE LYS 87 -7.973 9.208 -10.561
697 HE LYS 87 QE LYS 87 -7.973 9.208 -10.561
698 1HZ LYS 87 1HZ LYS 87 -10.360 8.231 -11.440
699 2HZ LYS 87 2HZ LYS 87 -10.831 9.493 -10.524
700 H ARG 88 H ARG 88 -12.332 5.557 -6.429
701 HA ARG 88 HA ARG 88 -12.692 8.341 -6.208
702 HB ARG 88 2HB ARG 88 -14.529 7.433 -7.288
703 HB ARG 88 QB ARG 88 -14.529 7.433 -7.288
704 HG ARG 88 2HG ARG 88 -13.816 5.099 -7.178
705 HG ARG 88 QG ARG 88 -13.816 5.099 -7.178
706 HD ARG 88 2HD ARG 88 -14.338 5.497 -4.248
707 HD ARG 88 QD ARG 88 -14.338 5.497 -4.248
708 HE ARG 88 HE ARG 88 -14.483 2.696 -4.905
709 1HH1 ARG 88 2HH2 ARG 88 -16.506 5.603 -4.786
710 2HH1 ARG 88 1HH2 ARG 88 -17.975 4.720 -4.534
711 HH2 ARG 88 1HH ARG 88 -17.901 2.328 -4.414
712 H LEU 89 H LEU 89 -12.092 5.767 -3.968
713 HA LEU 89 HA LEU 89 -13.573 6.781 -1.774
714 HB LEU 89 2HB LEU 89 -11.586 5.262 -0.685
715 HB LEU 89 QB LEU 89 -11.586 5.262 -0.685
716 HG LEU 89 HG LEU 89 -14.126 4.278 -2.008
717 1HD1 LEU 89 3HD1 LEU 89 -12.182 2.578 -1.632
718 2HD1 LEU 89 1HD1 LEU 89 -12.648 2.710 0.081
719 3HD1 LEU 89 2HD1 LEU 89 -13.838 2.166 -1.126
720 1HD2 LEU 89 3HD2 LEU 89 -13.438 5.077 0.826
721 2HD2 LEU 89 1HD2 LEU 89 -14.670 5.774 -0.254
722 3HD2 LEU 89 2HD2 LEU 89 -14.885 4.132 0.399
723 H PHE 90 H PHE 90 -10.167 7.098 -2.926
724 HA PHE 90 HA PHE 90 -9.553 8.847 -0.721
725 HB PHE 90 2HB PHE 90 -7.311 8.776 -1.772
726 HB PHE 90 QB PHE 90 -7.311 8.776 -1.772
727 HD1 PHE 90 2HD PHE 90 -8.728 5.902 -3.556
728 HD2 PHE 90 1HD PHE 90 -6.928 7.236 0.047
729 HE1 PHE 90 2HE PHE 90 -8.333 3.519 -2.871
730 HE2 PHE 90 1HE PHE 90 -6.534 4.854 0.732
731 HZ PHE 90 HZ PHE 90 -7.240 3.024 -0.735
732 H ASP 91 H ASP 91 -10.761 9.075 -4.004
733 HA ASP 91 HA ASP 91 -9.755 11.620 -4.569
734 HB ASP 91 2HB ASP 91 -12.359 11.090 -5.795
735 HB ASP 91 QB ASP 91 -12.359 11.090 -5.795
736 HD2 ASP 91 HD ASP 91 -11.588 12.876 -6.964
737 H MET 92 H MET 92 -12.632 10.308 -2.885
738 HA MET 92 HA MET 92 -13.811 12.930 -2.709
739 HB MET 92 2HB MET 92 -14.654 10.184 -1.625
740 HB MET 92 QB MET 92 -14.654 10.184 -1.625
741 HG MET 92 2HG MET 92 -16.781 12.169 -2.020
742 HG MET 92 QG MET 92 -16.781 12.169 -2.020
743 1HE MET 92 1HE MET 92 -14.681 11.185 1.120
744 2HE MET 92 2HE MET 92 -15.984 12.317 1.557
745 3HE MET 92 3HE MET 92 -16.005 10.650 2.182
746 H SER 93 H SER 93 -11.843 10.694 -0.820
747 HA SER 93 HA SER 93 -12.507 11.684 1.700
748 HB SER 93 2HB SER 93 -9.813 10.510 0.918
749 HB SER 93 QB SER 93 -9.813 10.510 0.918
750 HG SER 93 HG SER 93 -10.090 9.502 3.047
751 H GLY 94 H GLY 94 -10.287 12.735 -0.877
752 1HA GLY 94 1HA GLY 94 -9.223 14.707 -1.157
753 2HA GLY 94 2HA GLY 94 -9.966 15.308 0.312
754 H LEU 95 H LEU 95 -8.295 12.238 0.589
755 HA LEU 95 HA LEU 95 -5.975 13.642 1.719
756 HB LEU 95 2HB LEU 95 -6.990 11.056 2.841
757 HB LEU 95 QB LEU 95 -6.990 11.056 2.841
758 HG LEU 95 HG LEU 95 -4.941 11.619 3.838
759 1HD1 LEU 95 2HD1 LEU 95 -5.916 14.471 3.762
760 2HD1 LEU 95 3HD1 LEU 95 -4.573 13.961 4.814
761 3HD1 LEU 95 1HD1 LEU 95 -4.446 13.764 3.049
762 1HD2 LEU 95 2HD2 LEU 95 -6.964 11.206 5.379
763 2HD2 LEU 95 3HD2 LEU 95 -5.471 11.858 6.096
764 3HD2 LEU 95 1HD2 LEU 95 -6.844 12.940 5.763
765 H PHE 96 H PHE 96 -6.924 12.074 -0.914
766 HA PHE 96 HA PHE 96 -5.518 9.762 -1.175
767 HB PHE 96 2HB PHE 96 -5.290 11.696 -3.446
768 HB PHE 96 QB PHE 96 -5.290 11.696 -3.446
769 HD1 PHE 96 2HD PHE 96 -4.977 8.592 -2.542
770 HD2 PHE 96 1HD PHE 96 -7.647 10.805 -4.987
771 HE1 PHE 96 2HE PHE 96 -5.473 6.522 -3.873
772 HE2 PHE 96 1HE PHE 96 -8.144 8.736 -6.318
773 HZ PHE 96 HZ PHE 96 -7.051 6.618 -5.745
774 H LYS 97 H LYS 97 -4.298 13.120 -1.156
775 HA LYS 97 HA LYS 97 -1.784 12.581 -2.258
776 HB LYS 97 2HB LYS 97 -1.183 14.754 -1.490
777 HB LYS 97 QB LYS 97 -1.183 14.754 -1.490
778 HG LYS 97 2HG LYS 97 -3.920 15.622 -1.674
779 HG LYS 97 QG LYS 97 -3.920 15.622 -1.674
780 HD LYS 97 2HD LYS 97 -1.731 15.318 -3.784
781 HD LYS 97 QD LYS 97 -1.731 15.318 -3.784
782 HE LYS 97 2HE LYS 97 -4.440 16.658 -3.775
783 HE LYS 97 QE LYS 97 -4.440 16.658 -3.775
784 1HZ LYS 97 1HZ LYS 97 -2.429 18.275 -4.161
785 2HZ LYS 97 2HZ LYS 97 -2.367 17.585 -5.635
786 H ILE 98 H ILE 98 -3.224 11.844 0.849
787 HA ILE 98 HA ILE 98 -0.672 11.546 2.154
788 HB ILE 98 HB ILE 98 -3.250 12.054 2.982
789 HG1 ILE 98 2HG1 ILE 98 -2.111 12.754 4.760
790 HG1 ILE 98 QG1 ILE 98 -2.111 12.754 4.760
791 1HG2 ILE 98 1HG2 ILE 98 -2.529 9.204 3.706
792 2HG2 ILE 98 2HG2 ILE 98 -3.764 10.175 4.544
793 3HG2 ILE 98 3HG2 ILE 98 -3.966 9.774 2.822
794 1HD1 ILE 98 3HD1 ILE 98 -1.190 9.861 5.069
795 2HD1 ILE 98 1HD1 ILE 98 -0.804 11.158 6.226
796 3HD1 ILE 98 2HD1 ILE 98 -2.496 10.670 5.968
797 H ILE 99 H ILE 99 -2.513 9.788 -0.103
798 HA ILE 99 HA ILE 99 -1.258 7.290 0.803
799 HB ILE 99 HB ILE 99 -3.861 7.749 -0.651
800 HG1 ILE 99 2HG1 ILE 99 -4.842 6.609 1.295
801 HG1 ILE 99 QG1 ILE 99 -4.842 6.609 1.295
802 1HG2 ILE 99 2HG2 ILE 99 -2.574 5.839 -1.603
803 2HG2 ILE 99 3HG2 ILE 99 -2.575 5.088 0.011
804 3HG2 ILE 99 1HG2 ILE 99 -4.112 5.371 -0.840
805 1HD1 ILE 99 3HD1 ILE 99 -2.196 5.801 1.814
806 2HD1 ILE 99 1HD1 ILE 99 -2.543 7.014 3.069
807 3HD1 ILE 99 2HD1 ILE 99 -3.596 5.589 2.893
808 H ARG 100 H ARG 100 -1.339 9.817 -1.522
809 HA ARG 100 HA ARG 100 -0.720 9.939 -3.639
810 HB ARG 100 2HB ARG 100 1.744 8.391 -2.744
811 HB ARG 100 QB ARG 100 1.744 8.391 -2.744
812 HG ARG 100 2HG ARG 100 1.760 11.116 -4.024
813 HG ARG 100 QG ARG 100 1.760 11.116 -4.024
814 HD ARG 100 2HD ARG 100 3.551 9.429 -5.328
815 HD ARG 100 QD ARG 100 3.551 9.429 -5.328
816 HE ARG 100 HE ARG 100 3.758 11.507 -3.293
817 1HH1 ARG 100 2HH2 ARG 100 5.627 9.128 -5.138
818 2HH1 ARG 100 1HH2 ARG 100 7.120 9.991 -4.977
819 HH2 ARG 100 1HH ARG 100 7.156 12.057 -3.762
820 H PHE 101 H PHE 101 -2.215 8.502 -4.743
821 HA PHE 101 HA PHE 101 -1.183 5.806 -5.226
822 HB PHE 101 2HB PHE 101 -3.850 6.585 -6.283
823 HB PHE 101 QB PHE 101 -3.850 6.585 -6.283
824 HD1 PHE 101 2HD PHE 101 -3.495 4.233 -7.083
825 HD2 PHE 101 1HD PHE 101 -3.789 5.194 -2.961
826 HE1 PHE 101 2HE PHE 101 -3.980 1.827 -6.557
827 HE2 PHE 101 1HE PHE 101 -4.275 2.788 -2.435
828 HZ PHE 101 HZ PHE 101 -4.364 1.133 -4.239
829 H GLU 102 H GLU 102 -1.930 4.974 -7.550
830 HA GLU 102 HA GLU 102 -1.749 7.067 -9.507
831 HB GLU 102 2HB GLU 102 0.190 4.857 -10.008
832 HB GLU 102 QB GLU 102 0.190 4.857 -10.008
833 HG GLU 102 2HG GLU 102 1.279 7.514 -10.201
834 HG GLU 102 QG GLU 102 1.279 7.514 -10.201
835 HE2 GLU 102 HE GLU 102 2.642 5.891 -12.769
836 H GLN 103 H GLN 103 -0.869 4.849 -11.495
837 HA GLN 103 HA GLN 103 -3.038 3.003 -11.324
838 HB GLN 103 2HB GLN 103 -3.985 3.646 -13.566
839 HB GLN 103 QB GLN 103 -3.985 3.646 -13.566
840 HG GLN 103 2HG GLN 103 -4.033 5.867 -11.467
841 HG GLN 103 QG GLN 103 -4.033 5.867 -11.467
842 1HE2 GLN 103 2HE2 GLN 103 -7.446 5.603 -13.652
843 2HE2 GLN 103 1HE2 GLN 103 -6.878 4.380 -12.565
844 H SER 104 H SER 104 -1.533 1.313 -11.424
845 HA SER 104 HA SER 104 0.007 -0.004 -12.222
846 HB SER 104 2HB SER 104 -1.374 0.846 -14.795
847 HB SER 104 QB SER 104 -1.374 0.846 -14.795
848 HG SER 104 HG SER 104 -0.389 -1.450 -15.352
849 H GLU 105 H GLU 105 -0.099 2.694 -14.674
850 HA GLU 105 HA GLU 105 2.348 2.702 -15.588
851 HB GLU 105 2HB GLU 105 0.802 5.137 -14.604
852 HB GLU 105 QB GLU 105 0.802 5.137 -14.604
853 HG GLU 105 2HG GLU 105 3.484 4.953 -15.710
854 HG GLU 105 QG GLU 105 3.484 4.953 -15.710
855 HE2 GLU 105 HE GLU 105 3.945 6.699 -17.934
856 H GLN 106 H GLN 106 1.443 3.515 -12.246
857 HA GLN 106 HA GLN 106 3.843 4.733 -11.541
858 HB GLN 106 2HB GLN 106 1.551 3.460 -10.063
859 HB GLN 106 QB GLN 106 1.551 3.460 -10.063
860 HG GLN 106 2HG GLN 106 4.309 4.002 -8.963
861 HG GLN 106 QG GLN 106 4.309 4.002 -8.963
862 1HE2 GLN 106 2HE2 GLN 106 1.046 4.877 -6.540
863 2HE2 GLN 106 1HE2 GLN 106 0.931 3.747 -7.847
864 H GLN 107 H GLN 107 3.219 1.549 -12.525
865 HA GLN 107 HA GLN 107 4.387 -0.177 -10.962
866 HB GLN 107 2HB GLN 107 5.053 0.170 -13.918
867 HB GLN 107 QB GLN 107 5.053 0.170 -13.918
868 HG GLN 107 2HG GLN 107 6.532 -1.478 -12.687
869 HG GLN 107 QG GLN 107 6.532 -1.478 -12.687
870 1HE2 GLN 107 2HE2 GLN 107 3.473 -4.099 -11.820
871 2HE2 GLN 107 1HE2 GLN 107 3.678 -3.382 -13.383
872 H ALA 108 H ALA 108 6.041 2.559 -12.505
873 HA ALA 108 HA ALA 108 8.654 1.570 -11.772
874 1HB ALA 108 1HB ALA 108 7.556 3.418 -13.643
875 2HB ALA 108 2HB ALA 108 8.606 4.349 -12.546
876 3HB ALA 108 3HB ALA 108 9.261 2.952 -13.435
877 H LEU 109 H LEU 109 6.496 4.365 -10.903
878 HA LEU 109 HA LEU 109 8.154 5.229 -8.804
879 HB LEU 109 2HB LEU 109 5.392 5.933 -8.422
880 HB LEU 109 QB LEU 109 5.392 5.933 -8.422
881 HG LEU 109 HG LEU 109 7.768 7.497 -9.462
882 1HD1 LEU 109 2HD1 LEU 109 5.380 8.250 -10.184
883 2HD1 LEU 109 3HD1 LEU 109 5.235 8.787 -8.493
884 3HD1 LEU 109 1HD1 LEU 109 6.525 9.444 -9.527
885 1HD2 LEU 109 2HD2 LEU 109 7.757 6.639 -7.062
886 2HD2 LEU 109 3HD2 LEU 109 7.993 8.388 -7.297
887 3HD2 LEU 109 1HD2 LEU 109 6.407 7.765 -6.780
888 H LEU 110 H LEU 110 5.999 2.533 -9.156
889 HA LEU 110 HA LEU 110 5.032 2.259 -6.582
890 HB LEU 110 2HB LEU 110 5.846 -0.196 -8.011
891 HB LEU 110 QB LEU 110 5.846 -0.196 -8.011
892 HG LEU 110 HG LEU 110 3.027 0.668 -7.420
893 1HD1 LEU 110 2HD1 LEU 110 4.443 -1.984 -7.734
894 2HD1 LEU 110 3HD1 LEU 110 2.791 -1.831 -7.088
895 3HD1 LEU 110 1HD1 LEU 110 3.153 -1.288 -8.745
896 1HD2 LEU 110 1HD2 LEU 110 4.847 0.744 -5.414
897 2HD2 LEU 110 2HD2 LEU 110 3.132 0.319 -5.200
898 3HD2 LEU 110 3HD2 LEU 110 4.354 -0.966 -5.346
899 H THR 111 H THR 111 8.205 1.331 -8.014
900 HA THR 111 HA THR 111 9.180 -0.098 -5.837
901 HB THR 111 HB THR 111 10.171 1.215 -8.307
902 HG1 THR 111 1HG THR 111 10.588 -0.954 -8.461
903 1HG2 THR 111 3HG2 THR 111 12.017 0.778 -5.900
904 2HG2 THR 111 1HG2 THR 111 12.580 0.959 -7.579
905 3HG2 THR 111 2HG2 THR 111 11.763 2.314 -6.763
906 H LEU 112 H LEU 112 8.079 3.065 -5.814
907 HA LEU 112 HA LEU 112 8.047 4.343 -3.926
908 HB LEU 112 2HB LEU 112 10.676 3.045 -3.193
909 HB LEU 112 QB LEU 112 10.676 3.045 -3.193
910 HG LEU 112 HG LEU 112 9.179 5.245 -1.958
911 1HD1 LEU 112 2HD1 LEU 112 8.288 3.405 -0.597
912 2HD1 LEU 112 3HD1 LEU 112 9.947 2.888 -0.214
913 3HD1 LEU 112 1HD1 LEU 112 9.358 4.472 0.342
914 1HD2 LEU 112 1HD2 LEU 112 11.936 4.168 -2.066
915 2HD2 LEU 112 2HD2 LEU 112 11.344 5.844 -2.159
916 3HD2 LEU 112 3HD2 LEU 112 11.490 5.038 -0.578
917 H GLY 113 H GLY 113 9.139 4.632 -6.709
918 1HA GLY 113 1HA GLY 113 10.411 6.044 -7.938
919 2HA GLY 113 2HA GLY 113 9.835 7.227 -6.782
920 H VAL 114 H VAL 114 11.868 4.532 -5.685
921 HA VAL 114 HA VAL 114 14.267 6.147 -5.836
922 HB VAL 114 HB VAL 114 12.921 5.358 -3.253
923 1HG1 VAL 114 1HG1 VAL 114 15.707 5.263 -3.819
924 2HG1 VAL 114 2HG1 VAL 114 15.419 6.696 -2.804
925 3HG1 VAL 114 3HG1 VAL 114 14.892 5.090 -2.247
926 1HG2 VAL 114 2HG2 VAL 114 13.619 7.935 -4.617
927 2HG2 VAL 114 3HG2 VAL 114 12.153 7.477 -3.716
928 3HG2 VAL 114 1HG2 VAL 114 13.650 7.871 -2.837
929 H ALA 115 H ALA 115 14.606 4.332 -7.399
930 HA ALA 115 HA ALA 115 16.376 2.515 -6.606
931 1HB ALA 115 3HB ALA 115 13.717 1.744 -5.636
932 2HB ALA 115 1HB ALA 115 14.468 0.484 -6.645
933 3HB ALA 115 2HB ALA 115 15.318 1.096 -5.206
934 H SER 116 H SER 116 17.112 2.908 -8.704
935 HA SER 116 HA SER 116 17.354 2.516 -10.827
936 HB SER 116 2HB SER 116 14.971 0.643 -10.896
937 HB SER 116 QB SER 116 14.971 0.643 -10.896
938 HG SER 116 HG SER 116 15.972 -0.143 -12.630
No H/Q in entry = 795
Start of MODEL 9
1 H SER 1 H SER 1 -12.004 -15.211 1.375
2 HA SER 1 HA SER 1 -10.104 -15.953 0.635
3 HB SER 1 2HB SER 1 -9.845 -16.631 -1.689
4 HB SER 1 QB SER 1 -9.845 -16.631 -1.689
5 HG SER 1 HG SER 1 -12.339 -16.959 -0.412
6 H LEU 2 H LEU 2 -8.234 -14.778 0.842
7 HA LEU 2 HA LEU 2 -7.904 -12.462 -0.914
8 HB LEU 2 2HB LEU 2 -8.155 -12.472 2.011
9 HB LEU 2 QB LEU 2 -8.155 -12.472 2.011
10 HG LEU 2 HG LEU 2 -5.706 -11.386 0.764
11 1HD1 LEU 2 3HD1 LEU 2 -7.477 -9.442 1.196
12 2HD1 LEU 2 1HD1 LEU 2 -6.861 -9.611 2.858
13 3HD1 LEU 2 2HD1 LEU 2 -5.739 -9.245 1.525
14 1HD2 LEU 2 1HD2 LEU 2 -6.610 -12.521 3.329
15 2HD2 LEU 2 2HD2 LEU 2 -5.051 -12.669 2.485
16 3HD2 LEU 2 3HD2 LEU 2 -5.398 -11.225 3.465
17 H GLY 3 H GLY 3 -5.750 -12.062 -1.551
18 1HA GLY 3 1HA GLY 3 -3.949 -14.328 -1.031
19 2HA GLY 3 2HA GLY 3 -3.888 -13.227 -2.394
20 H ILE 4 H ILE 4 -1.511 -13.205 -1.642
21 HA ILE 4 HA ILE 4 -0.892 -10.758 -0.584
22 HB ILE 4 HB ILE 4 -1.862 -12.241 1.470
23 HG1 ILE 4 2HG1 ILE 4 -0.407 -10.598 2.893
24 HG1 ILE 4 QG1 ILE 4 -0.407 -10.598 2.893
25 1HG2 ILE 4 2HG2 ILE 4 1.147 -12.589 1.514
26 2HG2 ILE 4 3HG2 ILE 4 0.051 -12.901 2.881
27 3HG2 ILE 4 1HG2 ILE 4 -0.077 -13.877 1.397
28 1HD1 ILE 4 2HD1 ILE 4 1.173 -10.271 0.842
29 2HD1 ILE 4 3HD1 ILE 4 -0.139 -9.269 0.177
30 3HD1 ILE 4 1HD1 ILE 4 0.632 -8.820 1.718
31 H ASP 5 H ASP 5 1.245 -10.328 -1.050
32 HA ASP 5 HA ASP 5 2.971 -12.628 -1.377
33 HB ASP 5 2HB ASP 5 3.085 -10.442 -3.453
34 HB ASP 5 QB ASP 5 3.085 -10.442 -3.453
35 HD2 ASP 5 HD ASP 5 2.532 -13.845 -3.709
36 H MET 6 H MET 6 5.352 -11.690 -1.872
37 HA MET 6 HA MET 6 5.741 -9.026 -0.926
38 HB MET 6 2HB MET 6 7.497 -10.240 0.799
39 HB MET 6 QB MET 6 7.497 -10.240 0.799
40 HG MET 6 2HG MET 6 4.541 -9.876 1.479
41 HG MET 6 QG MET 6 4.541 -9.876 1.479
42 1HE MET 6 1HE MET 6 7.942 -8.601 2.334
43 2HE MET 6 2HE MET 6 8.212 -8.998 4.049
44 3HE MET 6 3HE MET 6 8.454 -10.242 2.798
45 H ASN 7 H ASN 7 7.670 -8.159 -1.719
46 HA ASN 7 HA ASN 7 9.579 -10.072 -2.772
47 HB ASN 7 2HB ASN 7 9.494 -7.785 -4.538
48 HB ASN 7 QB ASN 7 9.494 -7.785 -4.538
49 1HD2 ASN 7 2HD2 ASN 7 10.753 -10.655 -6.176
50 2HD2 ASN 7 1HD2 ASN 7 11.140 -9.295 -5.175
51 H VAL 8 H VAL 8 11.642 -8.630 -3.565
52 HA VAL 8 HA VAL 8 11.924 -6.285 -1.851
53 HB VAL 8 HB VAL 8 13.049 -8.860 -1.326
54 1HG1 VAL 8 1HG1 VAL 8 15.050 -6.719 -2.100
55 2HG1 VAL 8 2HG1 VAL 8 15.450 -8.092 -1.041
56 3HG1 VAL 8 3HG1 VAL 8 14.925 -8.383 -2.716
57 1HG2 VAL 8 1HG2 VAL 8 13.129 -6.130 -0.041
58 2HG2 VAL 8 2HG2 VAL 8 12.280 -7.601 0.490
59 3HG2 VAL 8 3HG2 VAL 8 14.051 -7.494 0.636
60 H LYS 9 H LYS 9 12.995 -4.632 -2.864
61 HA LYS 9 HA LYS 9 14.662 -5.309 -5.154
62 HB LYS 9 2HB LYS 9 13.368 -4.392 -6.737
63 HB LYS 9 QB LYS 9 13.368 -4.392 -6.737
64 HG LYS 9 2HG LYS 9 10.869 -3.967 -5.484
65 HG LYS 9 QG LYS 9 10.869 -3.967 -5.484
66 HD LYS 9 2HD LYS 9 12.018 -5.674 -7.419
67 HD LYS 9 QD LYS 9 12.018 -5.674 -7.419
68 HE LYS 9 2HE LYS 9 10.378 -7.694 -6.344
69 HE LYS 9 QE LYS 9 10.378 -7.694 -6.344
70 1HZ LYS 9 1HZ LYS 9 13.148 -7.325 -7.010
71 2HZ LYS 9 2HZ LYS 9 12.948 -8.441 -5.842
72 H GLU 10 H GLU 10 16.581 -4.556 -4.387
73 HA GLU 10 HA GLU 10 18.092 -3.172 -3.669
74 HB GLU 10 2HB GLU 10 16.042 -1.191 -4.674
75 HB GLU 10 QB GLU 10 16.042 -1.191 -4.674
76 HG GLU 10 2HG GLU 10 18.363 -0.641 -2.884
77 HG GLU 10 QG GLU 10 18.363 -0.641 -2.884
78 HE2 GLU 10 HE GLU 10 19.893 0.730 -3.347
79 H SER 11 H SER 11 14.835 -2.910 -2.349
80 HA SER 11 HA SER 11 15.452 -3.218 0.198
81 HB SER 11 2HB SER 11 16.550 -1.394 0.949
82 HB SER 11 QB SER 11 16.550 -1.394 0.949
83 HG SER 11 HG SER 11 16.902 0.472 -0.412
84 H VAL 12 H VAL 12 13.481 -2.284 -2.362
85 HA VAL 12 HA VAL 12 11.224 -1.511 -0.699
86 HB VAL 12 HB VAL 12 11.829 -0.324 -2.813
87 1HG1 VAL 12 2HG1 VAL 12 12.096 -2.858 -3.880
88 2HG1 VAL 12 3HG1 VAL 12 10.538 -2.312 -4.545
89 3HG1 VAL 12 1HG1 VAL 12 12.007 -1.341 -4.808
90 1HG2 VAL 12 1HG2 VAL 12 9.558 -0.249 -1.809
91 2HG2 VAL 12 2HG2 VAL 12 9.540 -0.073 -3.579
92 3HG2 VAL 12 3HG2 VAL 12 9.085 -1.625 -2.834
93 H LEU 13 H LEU 13 9.817 -2.987 0.085
94 HA LEU 13 HA LEU 13 9.962 -5.676 -1.033
95 HB LEU 13 2HB LEU 13 10.164 -5.995 1.175
96 HB LEU 13 QB LEU 13 10.164 -5.995 1.175
97 HG LEU 13 HG LEU 13 8.961 -4.685 2.958
98 1HD1 LEU 13 2HD1 LEU 13 11.161 -3.652 1.237
99 2HD1 LEU 13 3HD1 LEU 13 10.478 -2.551 2.458
100 3HD1 LEU 13 1HD1 LEU 13 11.162 -4.118 2.954
101 1HD2 LEU 13 1HD2 LEU 13 8.152 -3.067 0.560
102 2HD2 LEU 13 2HD2 LEU 13 7.182 -3.603 1.953
103 3HD2 LEU 13 3HD2 LEU 13 8.364 -2.286 2.145
104 H CYS 14 H CYS 14 8.652 -5.975 -2.765
105 HA CYS 14 HA CYS 14 6.307 -4.427 -3.106
106 HB CYS 14 2HB CYS 14 6.194 -5.333 -5.205
107 HB CYS 14 QB CYS 14 6.194 -5.333 -5.205
108 HG CYS 14 HG CYS 14 8.595 -6.261 -6.152
109 H ILE 15 H ILE 15 4.240 -4.884 -2.381
110 HA ILE 15 HA ILE 15 3.844 -7.554 -1.219
111 HB ILE 15 HB ILE 15 3.224 -4.828 -0.258
112 HG1 ILE 15 2HG1 ILE 15 3.793 -7.479 1.100
113 HG1 ILE 15 QG1 ILE 15 3.793 -7.479 1.100
114 1HG2 ILE 15 3HG2 ILE 15 1.226 -7.059 -0.217
115 2HG2 ILE 15 1HG2 ILE 15 1.365 -5.983 1.194
116 3HG2 ILE 15 2HG2 ILE 15 0.982 -5.306 -0.407
117 1HD1 ILE 15 1HD1 ILE 15 5.466 -4.997 0.515
118 2HD1 ILE 15 2HD1 ILE 15 5.941 -6.250 1.686
119 3HD1 ILE 15 3HD1 ILE 15 5.774 -6.660 -0.038
120 H ARG 16 H ARG 16 2.924 -8.667 -2.916
121 HA ARG 16 HA ARG 16 0.794 -7.315 -4.324
122 HB ARG 16 2HB ARG 16 1.185 -9.990 -5.308
123 HB ARG 16 QB ARG 16 1.185 -9.990 -5.308
124 HG ARG 16 2HG ARG 16 1.237 -7.250 -6.252
125 HG ARG 16 QG ARG 16 1.237 -7.250 -6.252
126 HD ARG 16 2HD ARG 16 3.441 -9.077 -7.328
127 HD ARG 16 QD ARG 16 3.441 -9.077 -7.328
128 HE ARG 16 HE ARG 16 3.063 -6.363 -8.399
129 1HH1 ARG 16 2HH2 ARG 16 2.355 -9.806 -8.846
130 2HH1 ARG 16 1HH2 ARG 16 2.034 -9.646 -10.541
131 HH2 ARG 16 1HH ARG 16 2.208 -7.490 -11.571
132 H LEU 17 H LEU 17 -1.212 -7.523 -3.366
133 HA LEU 17 HA LEU 17 -1.839 -10.144 -2.196
134 HB LEU 17 2HB LEU 17 -2.066 -7.444 -1.161
135 HB LEU 17 QB LEU 17 -2.066 -7.444 -1.161
136 HG LEU 17 HG LEU 17 -4.177 -8.002 0.148
137 1HD1 LEU 17 3HD1 LEU 17 -3.794 -6.325 -1.869
138 2HD1 LEU 17 1HD1 LEU 17 -4.951 -7.412 -2.674
139 3HD1 LEU 17 2HD1 LEU 17 -5.406 -6.594 -1.161
140 1HD2 LEU 17 2HD2 LEU 17 -4.104 -10.356 -1.297
141 2HD2 LEU 17 3HD2 LEU 17 -5.484 -9.737 -0.358
142 3HD2 LEU 17 1HD2 LEU 17 -5.382 -9.419 -2.106
143 H THR 18 H THR 18 -3.616 -11.230 -2.958
144 HA THR 18 HA THR 18 -5.307 -9.755 -4.867
145 HB THR 18 HB THR 18 -5.368 -12.180 -5.963
146 HG1 THR 18 1HG THR 18 -2.804 -12.010 -4.545
147 1HG2 THR 18 3HG2 THR 18 -3.411 -9.963 -6.215
148 2HG2 THR 18 1HG2 THR 18 -2.754 -11.538 -6.718
149 3HG2 THR 18 2HG2 THR 18 -4.224 -10.898 -7.493
150 H GLY 19 H GLY 19 -7.304 -9.537 -4.100
151 1HA GLY 19 1HA GLY 19 -9.037 -11.536 -3.511
152 2HA GLY 19 2HA GLY 19 -8.242 -11.246 -1.976
153 H GLU 20 H GLU 20 -9.042 -9.643 -0.675
154 HA GLU 20 HA GLU 20 -10.381 -7.434 -1.977
155 HB GLU 20 2HB GLU 20 -12.016 -7.919 0.240
156 HB GLU 20 QB GLU 20 -12.016 -7.919 0.240
157 HG GLU 20 2HG GLU 20 -12.375 -7.437 -2.417
158 HG GLU 20 QG GLU 20 -12.375 -7.437 -2.417
159 HE2 GLU 20 HE GLU 20 -14.693 -9.696 -1.982
160 H LEU 21 H LEU 21 -10.747 -5.569 -0.419
161 HA LEU 21 HA LEU 21 -8.830 -5.705 1.802
162 HB LEU 21 2HB LEU 21 -9.130 -3.640 -0.355
163 HB LEU 21 QB LEU 21 -9.130 -3.640 -0.355
164 HG LEU 21 HG LEU 21 -7.229 -2.498 1.102
165 1HD1 LEU 21 3HD1 LEU 21 -10.046 -2.009 0.648
166 2HD1 LEU 21 1HD1 LEU 21 -9.521 -1.334 2.210
167 3HD1 LEU 21 2HD1 LEU 21 -8.683 -0.867 0.710
168 1HD2 LEU 21 3HD2 LEU 21 -7.724 -4.304 2.921
169 2HD2 LEU 21 1HD2 LEU 21 -7.417 -2.617 3.398
170 3HD2 LEU 21 2HD2 LEU 21 -9.085 -3.238 3.342
171 H ASP 22 H ASP 22 -10.360 -6.033 3.420
172 HA ASP 22 HA ASP 22 -12.082 -3.739 3.823
173 HB ASP 22 2HB ASP 22 -14.025 -4.928 3.774
174 HB ASP 22 QB ASP 22 -14.025 -4.928 3.774
175 HD1 ASP 22 HD ASP 22 -11.861 -6.342 1.285
176 H HIS 23 H HIS 23 -12.964 -3.825 6.216
177 HA HIS 23 HA HIS 23 -10.972 -3.843 8.000
178 HB HIS 23 2HB HIS 23 -13.517 -3.210 8.157
179 HB HIS 23 QB HIS 23 -13.517 -3.210 8.157
180 HD1 HIS 23 1HD HIS 23 -13.323 -5.423 11.109
181 HD2 HIS 23 2HD HIS 23 -15.259 -5.432 7.387
182 HE1 HIS 23 1HE HIS 23 -15.175 -7.170 11.271
183 H HIS 24 H HIS 24 -12.502 -6.641 6.541
184 HA HIS 24 HA HIS 24 -11.500 -8.416 8.582
185 HB HIS 24 2HB HIS 24 -12.422 -10.134 6.836
186 HB HIS 24 QB HIS 24 -12.422 -10.134 6.836
187 HD1 HIS 24 1HD HIS 24 -12.988 -10.291 9.606
188 HD2 HIS 24 2HD HIS 24 -15.636 -8.190 7.122
189 HE1 HIS 24 1HE HIS 24 -15.196 -10.145 10.877
190 H THR 25 H THR 25 -11.015 -7.869 5.021
191 HA THR 25 HA THR 25 -8.658 -9.521 5.045
192 HB THR 25 HB THR 25 -8.762 -9.209 2.674
193 HG1 THR 25 1HG THR 25 -10.341 -7.241 2.125
194 1HG2 THR 25 3HG2 THR 25 -11.011 -10.103 3.782
195 2HG2 THR 25 1HG2 THR 25 -11.648 -8.511 3.301
196 3HG2 THR 25 2HG2 THR 25 -11.013 -9.624 2.066
197 H ALA 26 H ALA 26 -9.266 -6.479 6.249
198 HA ALA 26 HA ALA 26 -6.910 -5.188 5.241
199 1HB ALA 26 2HB ALA 26 -9.313 -4.399 6.419
200 2HB ALA 26 3HB ALA 26 -8.102 -4.096 7.688
201 3HB ALA 26 1HB ALA 26 -7.913 -3.351 6.083
202 H GLU 27 H GLU 27 -7.910 -7.100 8.097
203 HA GLU 27 HA GLU 27 -5.917 -6.496 9.815
204 HB GLU 27 2HB GLU 27 -6.382 -9.375 9.808
205 HB GLU 27 QB GLU 27 -6.382 -9.375 9.808
206 HG GLU 27 2HG GLU 27 -6.139 -7.381 11.678
207 HG GLU 27 QG GLU 27 -6.139 -7.381 11.678
208 HE2 GLU 27 HE GLU 27 -7.818 -5.604 11.929
209 H THR 28 H THR 28 -5.852 -8.934 7.131
210 HA THR 28 HA THR 28 -3.409 -10.055 7.536
211 HB THR 28 HB THR 28 -5.232 -9.492 5.246
212 HG1 THR 28 1HG THR 28 -5.199 -11.510 6.389
213 1HG2 THR 28 3HG2 THR 28 -2.295 -10.261 4.825
214 2HG2 THR 28 1HG2 THR 28 -3.576 -10.404 3.596
215 3HG2 THR 28 2HG2 THR 28 -3.084 -8.799 4.186
216 H LEU 29 H LEU 29 -4.086 -6.863 5.998
217 HA LEU 29 HA LEU 29 -1.324 -6.408 5.478
218 HB LEU 29 2HB LEU 29 -3.197 -4.127 5.616
219 HB LEU 29 QB LEU 29 -3.197 -4.127 5.616
220 HG LEU 29 HG LEU 29 -2.138 -3.343 3.783
221 1HD1 LEU 29 2HD1 LEU 29 -0.377 -4.011 5.479
222 2HD1 LEU 29 3HD1 LEU 29 -0.025 -5.405 4.429
223 3HD1 LEU 29 1HD1 LEU 29 0.191 -3.749 3.812
224 1HD2 LEU 29 3HD2 LEU 29 -3.077 -5.268 2.419
225 2HD2 LEU 29 1HD2 LEU 29 -1.560 -4.541 1.835
226 3HD2 LEU 29 2HD2 LEU 29 -1.527 -6.096 2.700
227 H LYS 30 H LYS 30 -3.538 -5.934 8.193
228 HA LYS 30 HA LYS 30 -2.269 -3.907 9.544
229 HB LYS 30 2HB LYS 30 -3.419 -6.294 10.973
230 HB LYS 30 QB LYS 30 -3.419 -6.294 10.973
231 HG LYS 30 2HG LYS 30 -4.584 -4.095 12.023
232 HG LYS 30 QG LYS 30 -4.584 -4.095 12.023
233 HD LYS 30 2HD LYS 30 -2.488 -5.832 12.773
234 HD LYS 30 QD LYS 30 -2.488 -5.832 12.773
235 HE LYS 30 2HE LYS 30 -1.374 -3.239 12.315
236 HE LYS 30 QE LYS 30 -1.374 -3.239 12.315
237 1HZ LYS 30 1HZ LYS 30 -2.324 -3.526 14.983
238 2HZ LYS 30 2HZ LYS 30 -0.698 -3.427 14.983
239 H GLN 31 H GLN 31 -1.492 -7.425 9.411
240 HA GLN 31 HA GLN 31 0.471 -7.360 11.346
241 HB GLN 31 2HB GLN 31 -0.646 -9.383 10.197
242 HB GLN 31 QB GLN 31 -0.646 -9.383 10.197
243 HG GLN 31 2HG GLN 31 1.742 -9.341 8.352
244 HG GLN 31 QG GLN 31 1.742 -9.341 8.352
245 1HE2 GLN 31 2HE2 GLN 31 -1.839 -11.414 7.968
246 2HE2 GLN 31 1HE2 GLN 31 -1.770 -9.843 8.696
247 H LYS 32 H LYS 32 0.520 -6.536 7.865
248 HA LYS 32 HA LYS 32 3.333 -6.429 7.648
249 HB LYS 32 2HB LYS 32 1.173 -5.114 5.971
250 HB LYS 32 QB LYS 32 1.173 -5.114 5.971
251 HG LYS 32 2HG LYS 32 3.485 -4.177 5.636
252 HG LYS 32 QG LYS 32 3.485 -4.177 5.636
253 HD LYS 32 2HD LYS 32 4.131 -7.067 5.658
254 HD LYS 32 QD LYS 32 4.131 -7.067 5.658
255 HE LYS 32 2HE LYS 32 4.868 -5.318 3.314
256 HE LYS 32 QE LYS 32 4.868 -5.318 3.314
257 1HZ LYS 32 1HZ LYS 32 6.880 -6.168 4.853
258 2HZ LYS 32 2HZ LYS 32 6.690 -7.497 3.932
259 H VAL 33 H VAL 33 0.975 -4.421 9.201
260 HA VAL 33 HA VAL 33 2.325 -1.951 8.887
261 HB VAL 33 HB VAL 33 0.419 -2.804 11.070
262 1HG1 VAL 33 3HG1 VAL 33 1.763 -0.355 10.502
263 2HG1 VAL 33 1HG1 VAL 33 0.036 -0.123 10.145
264 3HG1 VAL 33 2HG1 VAL 33 0.543 -0.687 11.754
265 1HG2 VAL 33 1HG2 VAL 33 -0.528 -3.395 8.884
266 2HG2 VAL 33 2HG2 VAL 33 -1.403 -2.028 9.615
267 3HG2 VAL 33 3HG2 VAL 33 -0.237 -1.739 8.302
268 H THR 34 H THR 34 2.084 -4.313 11.643
269 HA THR 34 HA THR 34 3.855 -3.047 13.334
270 HB THR 34 HB THR 34 2.524 -4.859 14.163
271 HG1 THR 34 1HG THR 34 4.316 -6.381 14.759
272 1HG2 THR 34 3HG2 THR 34 3.782 -6.492 11.901
273 2HG2 THR 34 1HG2 THR 34 2.905 -7.226 13.264
274 3HG2 THR 34 2HG2 THR 34 2.052 -6.145 12.136
275 H GLN 35 H GLN 35 4.537 -5.288 10.605
276 HA GLN 35 HA GLN 35 7.228 -5.569 11.163
277 HB GLN 35 2HB GLN 35 7.315 -6.023 8.579
278 HB GLN 35 QB GLN 35 7.315 -6.023 8.579
279 HG GLN 35 2HG GLN 35 5.794 -7.510 10.711
280 HG GLN 35 QG GLN 35 5.794 -7.510 10.711
281 1HE2 GLN 35 2HE2 GLN 35 3.505 -8.524 8.158
282 2HE2 GLN 35 1HE2 GLN 35 3.795 -7.322 9.371
283 H SER 36 H SER 36 5.442 -3.175 9.122
284 HA SER 36 HA SER 36 7.839 -1.884 8.351
285 HB SER 36 2HB SER 36 5.277 -0.373 8.181
286 HB SER 36 QB SER 36 5.277 -0.373 8.181
287 HG SER 36 HG SER 36 6.002 -0.485 5.846
288 H LEU 37 H LEU 37 5.659 -1.771 11.092
289 HA LEU 37 HA LEU 37 5.855 0.837 11.914
290 HB LEU 37 2HB LEU 37 6.040 -0.896 14.177
291 HB LEU 37 QB LEU 37 6.040 -0.896 14.177
292 HG LEU 37 HG LEU 37 3.859 -0.231 14.697
293 1HD1 LEU 37 2HD1 LEU 37 5.732 1.690 13.841
294 2HD1 LEU 37 3HD1 LEU 37 4.144 2.252 13.266
295 3HD1 LEU 37 1HD1 LEU 37 4.391 1.902 14.993
296 1HD2 LEU 37 2HD2 LEU 37 3.459 -0.287 11.780
297 2HD2 LEU 37 3HD2 LEU 37 2.336 -0.664 13.109
298 3HD2 LEU 37 1HD2 LEU 37 2.606 1.027 12.626
299 H GLU 38 H GLU 38 8.259 -1.802 12.063
300 HA GLU 38 HA GLU 38 10.323 0.069 12.334
301 HB GLU 38 2HB GLU 38 11.124 -1.091 14.597
302 HB GLU 38 QB GLU 38 11.124 -1.091 14.597
303 HG GLU 38 2HG GLU 38 8.904 0.860 15.085
304 HG GLU 38 QG GLU 38 8.904 0.860 15.085
305 HE1 GLU 38 HE GLU 38 11.093 0.865 17.832
306 H LYS 39 H LYS 39 10.782 -1.204 10.370
307 HA LYS 39 HA LYS 39 11.250 -3.990 10.570
308 HB LYS 39 2HB LYS 39 11.927 -1.914 8.473
309 HB LYS 39 QB LYS 39 11.927 -1.914 8.473
310 HG LYS 39 2HG LYS 39 13.489 -3.968 8.511
311 HG LYS 39 QG LYS 39 13.489 -3.968 8.511
312 HD LYS 39 2HD LYS 39 12.082 -5.908 7.244
313 HD LYS 39 QD LYS 39 12.082 -5.908 7.244
314 HE LYS 39 2HE LYS 39 11.754 -5.963 10.222
315 HE LYS 39 QE LYS 39 11.754 -5.963 10.222
316 1HZ LYS 39 1HZ LYS 39 13.220 -7.747 8.357
317 2HZ LYS 39 2HZ LYS 39 12.767 -8.102 9.880
318 H ASP 40 H ASP 40 13.403 -1.075 10.435
319 HA ASP 40 HA ASP 40 15.121 -1.594 12.286
320 HB ASP 40 2HB ASP 40 16.980 -2.854 10.681
321 HB ASP 40 QB ASP 40 16.980 -2.854 10.681
322 HD1 ASP 40 HD ASP 40 15.523 -3.276 13.808
323 H ASP 41 H ASP 41 16.269 -1.961 8.869
324 HA ASP 41 HA ASP 41 17.752 0.418 9.053
325 HB ASP 41 2HB ASP 41 17.003 -1.110 6.521
326 HB ASP 41 QB ASP 41 17.003 -1.110 6.521
327 HD1 ASP 41 HD ASP 41 19.138 1.805 7.168
328 H ILE 42 H ILE 42 16.776 0.608 5.918
329 HA ILE 42 HA ILE 42 14.269 2.002 6.378
330 HB ILE 42 HB ILE 42 16.836 3.298 5.552
331 HG1 ILE 42 2HG1 ILE 42 16.103 5.046 7.062
332 HG1 ILE 42 QG1 ILE 42 16.103 5.046 7.062
333 1HG2 ILE 42 2HG2 ILE 42 14.120 3.855 4.443
334 2HG2 ILE 42 3HG2 ILE 42 15.176 5.233 4.835
335 3HG2 ILE 42 1HG2 ILE 42 15.724 3.991 3.683
336 1HD1 ILE 42 1HD1 ILE 42 13.514 3.591 6.834
337 2HD1 ILE 42 2HD1 ILE 42 13.951 4.105 8.481
338 3HD1 ILE 42 3HD1 ILE 42 13.827 5.310 7.176
339 H ARG 43 H ARG 43 13.553 0.022 5.250
340 HA ARG 43 HA ARG 43 14.503 -0.338 2.600
341 HB ARG 43 2HB ARG 43 12.343 -1.949 2.657
342 HB ARG 43 QB ARG 43 12.343 -1.949 2.657
343 HG ARG 43 2HG ARG 43 14.212 -3.071 4.587
344 HG ARG 43 QG ARG 43 14.212 -3.071 4.587
345 HD ARG 43 2HD ARG 43 14.658 -3.852 1.809
346 HD ARG 43 QD ARG 43 14.658 -3.852 1.809
347 HE ARG 43 HE ARG 43 14.642 -5.836 3.022
348 1HH1 ARG 43 1HH2 ARG 43 11.770 -4.794 5.685
349 2HH1 ARG 43 2HH2 ARG 43 12.221 -3.675 4.443
350 HH2 ARG 43 1HH ARG 43 12.857 -6.928 5.794
351 H HIS 44 H HIS 44 12.077 -1.002 1.215
352 HA HIS 44 HA HIS 44 10.566 1.493 1.288
353 HB HIS 44 2HB HIS 44 10.597 1.445 -1.250
354 HB HIS 44 QB HIS 44 10.597 1.445 -1.250
355 HD1 HIS 44 1HD HIS 44 11.288 3.646 0.607
356 HD2 HIS 44 2HD HIS 44 14.250 1.569 -1.516
357 HE1 HIS 44 1HE HIS 44 13.321 5.185 0.526
358 H ILE 45 H ILE 45 8.438 1.288 0.104
359 HA ILE 45 HA ILE 45 7.495 -1.480 0.358
360 HB ILE 45 HB ILE 45 5.257 -0.399 0.676
361 HG1 ILE 45 2HG1 ILE 45 6.574 2.147 1.473
362 HG1 ILE 45 QG1 ILE 45 6.574 2.147 1.473
363 1HG2 ILE 45 1HG2 ILE 45 6.527 -1.330 2.535
364 2HG2 ILE 45 2HG2 ILE 45 7.408 0.206 2.724
365 3HG2 ILE 45 3HG2 ILE 45 5.657 0.141 3.035
366 1HD1 ILE 45 2HD1 ILE 45 5.836 1.463 -1.412
367 2HD1 ILE 45 3HD1 ILE 45 6.280 3.077 -0.803
368 3HD1 ILE 45 1HD1 ILE 45 7.486 1.767 -0.813
369 H VAL 46 H VAL 46 5.765 -2.141 -1.189
370 HA VAL 46 HA VAL 46 5.503 -0.574 -3.575
371 HB VAL 46 HB VAL 46 7.414 -2.825 -3.375
372 1HG1 VAL 46 1HG1 VAL 46 5.555 -3.826 -4.688
373 2HG1 VAL 46 2HG1 VAL 46 5.687 -2.485 -5.850
374 3HG1 VAL 46 3HG1 VAL 46 7.044 -3.617 -5.639
375 1HG2 VAL 46 2HG2 VAL 46 7.747 -0.264 -3.954
376 2HG2 VAL 46 3HG2 VAL 46 8.723 -1.522 -4.750
377 3HG2 VAL 46 1HG2 VAL 46 7.327 -0.811 -5.595
378 H LEU 47 H LEU 47 3.278 -0.672 -2.935
379 HA LEU 47 HA LEU 47 2.069 -3.257 -2.610
380 HB LEU 47 2HB LEU 47 -0.023 -1.634 -2.706
381 HB LEU 47 QB LEU 47 -0.023 -1.634 -2.706
382 HG LEU 47 HG LEU 47 0.294 -2.619 -0.626
383 1HD1 LEU 47 1HD1 LEU 47 2.695 -2.979 -0.770
384 2HD1 LEU 47 2HD1 LEU 47 2.995 -1.258 -0.435
385 3HD1 LEU 47 3HD1 LEU 47 2.259 -2.292 0.813
386 1HD2 LEU 47 3HD2 LEU 47 0.831 0.340 -0.269
387 2HD2 LEU 47 1HD2 LEU 47 -0.748 -0.479 -0.323
388 3HD2 LEU 47 2HD2 LEU 47 0.357 -0.768 1.041
389 H ASN 48 H ASN 48 0.274 -4.033 -3.986
390 HA ASN 48 HA ASN 48 -0.208 -2.878 -6.464
391 HB ASN 48 2HB ASN 48 1.437 -3.734 -7.796
392 HB ASN 48 QB ASN 48 1.437 -3.734 -7.796
393 1HD2 ASN 48 2HD2 ASN 48 3.287 -5.398 -4.466
394 2HD2 ASN 48 1HD2 ASN 48 1.612 -5.672 -4.807
395 H LEU 49 H LEU 49 -2.369 -3.527 -6.510
396 HA LEU 49 HA LEU 49 -2.984 -6.224 -5.563
397 HB LEU 49 2HB LEU 49 -5.340 -4.765 -6.071
398 HB LEU 49 QB LEU 49 -5.340 -4.765 -6.071
399 HG LEU 49 HG LEU 49 -4.065 -6.025 -3.804
400 1HD1 LEU 49 1HD1 LEU 49 -5.197 -3.272 -3.359
401 2HD1 LEU 49 2HD1 LEU 49 -5.287 -4.524 -2.097
402 3HD1 LEU 49 3HD1 LEU 49 -3.703 -3.999 -2.719
403 1HD2 LEU 49 3HD2 LEU 49 -6.844 -5.424 -4.749
404 2HD2 LEU 49 1HD2 LEU 49 -6.046 -6.989 -4.460
405 3HD2 LEU 49 2HD2 LEU 49 -6.586 -5.998 -3.084
406 H GLU 50 H GLU 50 -3.506 -7.816 -6.971
407 HA GLU 50 HA GLU 50 -3.849 -6.979 -9.732
408 HB GLU 50 2HB GLU 50 -3.606 -9.865 -9.326
409 HB GLU 50 QB GLU 50 -3.606 -9.865 -9.326
410 HG GLU 50 2HG GLU 50 -1.318 -9.071 -10.585
411 HG GLU 50 QG GLU 50 -1.318 -9.071 -10.585
412 HE1 GLU 50 HE GLU 50 -4.677 -9.553 -12.761
413 H ASP 51 H ASP 51 -5.493 -8.363 -6.964
414 HA ASP 51 HA ASP 51 -7.728 -9.020 -8.719
415 HB ASP 51 2HB ASP 51 -6.918 -10.156 -6.005
416 HB ASP 51 QB ASP 51 -6.918 -10.156 -6.005
417 HD1 ASP 51 HD ASP 51 -9.808 -9.443 -7.639
418 H LEU 52 H LEU 52 -7.852 -6.455 -8.345
419 HA LEU 52 HA LEU 52 -8.867 -5.745 -5.734
420 HB LEU 52 2HB LEU 52 -8.502 -4.086 -8.233
421 HB LEU 52 QB LEU 52 -8.502 -4.086 -8.233
422 HG LEU 52 HG LEU 52 -8.969 -2.210 -7.096
423 1HD1 LEU 52 1HD1 LEU 52 -10.323 -4.234 -5.296
424 2HD1 LEU 52 2HD1 LEU 52 -10.647 -2.484 -5.270
425 3HD1 LEU 52 3HD1 LEU 52 -10.999 -3.432 -6.734
426 1HD2 LEU 52 2HD2 LEU 52 -7.399 -3.508 -4.933
427 2HD2 LEU 52 3HD2 LEU 52 -7.256 -1.885 -5.650
428 3HD2 LEU 52 1HD2 LEU 52 -8.530 -2.220 -4.451
429 H SER 53 H SER 53 -10.890 -6.509 -5.307
430 HA SER 53 HA SER 53 -12.833 -6.191 -7.453
431 HB SER 53 2HB SER 53 -12.637 -8.109 -5.115
432 HB SER 53 QB SER 53 -12.637 -8.109 -5.115
433 HG SER 53 HG SER 53 -14.964 -7.096 -6.330
434 H PHE 54 H PHE 54 -12.936 -6.370 -3.816
435 HA PHE 54 HA PHE 54 -14.973 -4.331 -3.810
436 HB PHE 54 2HB PHE 54 -13.480 -5.994 -1.696
437 HB PHE 54 QB PHE 54 -13.480 -5.994 -1.696
438 HD1 PHE 54 1HD PHE 54 -16.978 -4.804 -1.748
439 HD2 PHE 54 2HD PHE 54 -13.176 -4.489 0.112
440 HE1 PHE 54 1HE PHE 54 -18.000 -3.473 0.118
441 HE2 PHE 54 2HE PHE 54 -14.199 -3.158 1.977
442 HZ PHE 54 HZ PHE 54 -16.598 -2.665 1.959
443 H MET 55 H MET 55 -11.993 -4.761 -1.775
444 HA MET 55 HA MET 55 -10.808 -3.211 -0.741
445 HB MET 55 2HB MET 55 -10.532 -1.871 -3.462
446 HB MET 55 QB MET 55 -10.532 -1.871 -3.462
447 HG MET 55 2HG MET 55 -9.012 -1.917 -1.041
448 HG MET 55 QG MET 55 -9.012 -1.917 -1.041
449 1HE MET 55 1HE MET 55 -9.481 -4.611 -1.797
450 2HE MET 55 2HE MET 55 -8.721 -5.153 -3.313
451 3HE MET 55 3HE MET 55 -7.980 -5.565 -1.747
452 H ASP 56 H ASP 56 -12.428 -2.117 0.534
453 HA ASP 56 HA ASP 56 -13.363 0.361 -0.669
454 HB ASP 56 2HB ASP 56 -14.355 -0.788 1.959
455 HB ASP 56 QB ASP 56 -14.355 -0.788 1.959
456 HD1 ASP 56 HD ASP 56 -17.044 1.154 -0.223
457 H SER 57 H SER 57 -14.051 1.277 2.198
458 HA SER 57 HA SER 57 -11.363 2.164 2.835
459 HB SER 57 2HB SER 57 -12.963 3.961 2.455
460 HB SER 57 QB SER 57 -12.963 3.961 2.455
461 HG SER 57 HG SER 57 -14.764 4.138 4.089
462 H SER 58 H SER 58 -13.405 -0.312 3.655
463 HA SER 58 HA SER 58 -13.535 -0.160 6.418
464 HB SER 58 2HB SER 58 -14.191 -2.469 6.341
465 HB SER 58 QB SER 58 -14.191 -2.469 6.341
466 HG SER 58 HG SER 58 -14.891 -1.792 3.663
467 H GLY 59 H GLY 59 -10.842 -0.488 4.336
468 1HA GLY 59 1HA GLY 59 -9.188 -1.450 6.581
469 2HA GLY 59 2HA GLY 59 -9.024 -2.158 4.987
470 H LEU 60 H LEU 60 -9.970 1.146 4.776
471 HA LEU 60 HA LEU 60 -7.715 1.939 3.423
472 HB LEU 60 2HB LEU 60 -9.221 3.978 4.969
473 HB LEU 60 QB LEU 60 -9.221 3.978 4.969
474 HG LEU 60 HG LEU 60 -9.376 4.007 2.042
475 1HD1 LEU 60 2HD1 LEU 60 -9.514 5.811 4.196
476 2HD1 LEU 60 3HD1 LEU 60 -8.084 6.284 3.248
477 3HD1 LEU 60 1HD1 LEU 60 -9.675 6.165 2.459
478 1HD2 LEU 60 2HD2 LEU 60 -6.733 3.684 3.357
479 2HD2 LEU 60 3HD2 LEU 60 -7.261 3.273 1.708
480 3HD2 LEU 60 1HD2 LEU 60 -6.868 4.959 2.124
481 H GLY 61 H GLY 61 -8.576 2.558 6.898
482 1HA GLY 61 1HA GLY 61 -6.264 3.916 7.609
483 2HA GLY 61 2HA GLY 61 -7.276 2.971 8.683
484 H VAL 62 H VAL 62 -6.935 0.381 7.358
485 HA VAL 62 HA VAL 62 -4.616 -0.470 8.661
486 HB VAL 62 HB VAL 62 -6.864 -1.580 7.411
487 1HG1 VAL 62 3HG1 VAL 62 -4.289 -2.577 6.151
488 2HG1 VAL 62 1HG1 VAL 62 -5.828 -3.472 6.122
489 3HG1 VAL 62 2HG1 VAL 62 -5.707 -1.883 5.327
490 1HG2 VAL 62 1HG2 VAL 62 -4.513 -2.812 8.877
491 2HG2 VAL 62 2HG2 VAL 62 -6.079 -2.303 9.553
492 3HG2 VAL 62 3HG2 VAL 62 -5.996 -3.705 8.459
493 H ILE 63 H ILE 63 -5.140 1.045 5.565
494 HA ILE 63 HA ILE 63 -2.496 0.152 4.671
495 HB ILE 63 HB ILE 63 -4.956 1.118 3.263
496 HG1 ILE 63 2HG1 ILE 63 -3.935 -1.383 3.753
497 HG1 ILE 63 QG1 ILE 63 -3.935 -1.383 3.753
498 1HG2 ILE 63 2HG2 ILE 63 -2.112 1.317 2.270
499 2HG2 ILE 63 3HG2 ILE 63 -3.501 1.166 1.165
500 3HG2 ILE 63 1HG2 ILE 63 -3.390 2.558 2.270
501 1HD1 ILE 63 2HD1 ILE 63 -6.228 -0.776 2.941
502 2HD1 ILE 63 3HD1 ILE 63 -5.553 -0.510 1.315
503 3HD1 ILE 63 1HD1 ILE 63 -5.525 -2.137 2.036
504 H LEU 64 H LEU 64 -4.491 2.934 5.642
505 HA LEU 64 HA LEU 64 -2.551 4.855 4.808
506 HB LEU 64 2HB LEU 64 -4.940 5.095 6.643
507 HB LEU 64 QB LEU 64 -4.940 5.095 6.643
508 HG LEU 64 HG LEU 64 -3.806 7.096 7.022
509 1HD1 LEU 64 2HD1 LEU 64 -2.002 6.628 5.345
510 2HD1 LEU 64 3HD1 LEU 64 -3.063 7.326 4.097
511 3HD1 LEU 64 1HD1 LEU 64 -2.503 8.333 5.454
512 1HD2 LEU 64 1HD2 LEU 64 -6.174 7.221 5.889
513 2HD2 LEU 64 2HD2 LEU 64 -5.232 8.698 6.205
514 3HD2 LEU 64 3HD2 LEU 64 -5.268 7.999 4.569
515 H GLY 65 H GLY 65 -3.048 2.758 7.573
516 1HA GLY 65 1HA GLY 65 -1.554 4.328 9.446
517 2HA GLY 65 2HA GLY 65 -2.063 2.660 9.610
518 H ARG 66 H ARG 66 -0.744 2.310 6.721
519 HA ARG 66 HA ARG 66 1.797 1.603 7.863
520 HB ARG 66 2HB ARG 66 1.546 0.983 5.021
521 HB ARG 66 QB ARG 66 1.546 0.983 5.021
522 HG ARG 66 2HG ARG 66 1.330 -0.878 7.430
523 HG ARG 66 QG ARG 66 1.330 -0.878 7.430
524 HD ARG 66 2HD ARG 66 1.332 -1.337 4.618
525 HD ARG 66 QD ARG 66 1.332 -1.337 4.618
526 HE ARG 66 HE ARG 66 4.045 -1.541 5.715
527 1HH1 ARG 66 2HH2 ARG 66 1.795 -2.807 3.289
528 2HH1 ARG 66 1HH2 ARG 66 3.050 -3.394 2.249
529 HH2 ARG 66 1HH ARG 66 5.340 -3.094 2.890
530 H TYR 67 H TYR 67 0.325 3.739 5.385
531 HA TYR 67 HA TYR 67 2.609 4.525 4.038
532 HB TYR 67 2HB TYR 67 0.475 6.535 4.786
533 HB TYR 67 QB TYR 67 0.475 6.535 4.786
534 HD1 TYR 67 1HD TYR 67 1.855 8.095 3.469
535 HD2 TYR 67 2HD TYR 67 0.291 4.509 1.738
536 HE1 TYR 67 1HE TYR 67 2.348 8.995 1.143
537 HE2 TYR 67 2HE TYR 67 0.789 5.421 -0.582
538 HH TYR 67 HH TYR 67 2.716 7.350 -1.381
539 H LYS 68 H LYS 68 1.112 5.849 7.057
540 HA LYS 68 HA LYS 68 3.188 7.827 7.275
541 HB LYS 68 2HB LYS 68 1.909 8.762 8.938
542 HB LYS 68 QB LYS 68 1.909 8.762 8.938
543 HG LYS 68 2HG LYS 68 -0.464 7.214 8.059
544 HG LYS 68 QG LYS 68 -0.464 7.214 8.059
545 HD LYS 68 2HD LYS 68 -1.280 9.436 7.464
546 HD LYS 68 QD LYS 68 -1.280 9.436 7.464
547 HE LYS 68 2HE LYS 68 0.423 9.552 9.999
548 HE LYS 68 QE LYS 68 0.423 9.552 9.999
549 1HZ LYS 68 1HZ LYS 68 -1.654 11.109 10.461
550 2HZ LYS 68 2HZ LYS 68 -0.292 11.710 9.800
551 H GLN 69 H GLN 69 3.401 4.620 7.458
552 HA GLN 69 HA GLN 69 4.855 4.611 9.973
553 HB GLN 69 2HB GLN 69 4.718 2.015 8.665
554 HB GLN 69 QB GLN 69 4.718 2.015 8.665
555 HG GLN 69 2HG GLN 69 4.995 2.375 11.108
556 HG GLN 69 QG GLN 69 4.995 2.375 11.108
557 1HE2 GLN 69 2HE2 GLN 69 1.232 3.575 12.109
558 2HE2 GLN 69 1HE2 GLN 69 1.597 2.082 11.310
559 H ILE 70 H ILE 70 5.138 3.738 6.471
560 HA ILE 70 HA ILE 70 7.854 3.007 6.644
561 HB ILE 70 HB ILE 70 6.149 2.372 4.892
562 HG1 ILE 70 2HG1 ILE 70 8.903 3.350 4.097
563 HG1 ILE 70 QG1 ILE 70 8.903 3.350 4.097
564 1HG2 ILE 70 2HG2 ILE 70 5.264 4.583 4.396
565 2HG2 ILE 70 3HG2 ILE 70 6.855 5.109 3.798
566 3HG2 ILE 70 1HG2 ILE 70 5.953 3.842 2.932
567 1HD1 ILE 70 1HD1 ILE 70 7.727 0.675 4.968
568 2HD1 ILE 70 2HD1 ILE 70 9.322 0.834 4.194
569 3HD1 ILE 70 3HD1 ILE 70 9.016 1.605 5.769
570 H LYS 71 H LYS 71 6.113 6.086 6.162
571 HA LYS 71 HA LYS 71 8.487 7.496 5.418
572 HB LYS 71 2HB LYS 71 6.558 9.348 6.234
573 HB LYS 71 QB LYS 71 6.558 9.348 6.234
574 HG LYS 71 2HG LYS 71 6.551 8.195 3.443
575 HG LYS 71 QG LYS 71 6.551 8.195 3.443
576 HD LYS 71 2HD LYS 71 7.184 10.968 3.536
577 HD LYS 71 QD LYS 71 7.184 10.968 3.536
578 HE LYS 71 2HE LYS 71 4.608 9.424 3.004
579 HE LYS 71 QE LYS 71 4.608 9.424 3.004
580 1HZ LYS 71 1HZ LYS 71 5.192 12.310 2.617
581 2HZ LYS 71 2HZ LYS 71 3.943 11.549 1.900
582 H GLN 72 H GLN 72 6.937 6.462 8.386
583 HA GLN 72 HA GLN 72 8.060 8.485 9.996
584 HB GLN 72 2HB GLN 72 6.210 6.347 10.307
585 HB GLN 72 QB GLN 72 6.210 6.347 10.307
586 HG GLN 72 2HG GLN 72 8.535 6.215 12.286
587 HG GLN 72 QG GLN 72 8.535 6.215 12.286
588 1HE2 GLN 72 2HE2 GLN 72 5.468 5.896 14.258
589 2HE2 GLN 72 1HE2 GLN 72 6.386 7.114 13.437
590 H ILE 73 H ILE 73 9.161 5.397 8.677
591 HA ILE 73 HA ILE 73 11.337 5.173 10.546
592 HB ILE 73 HB ILE 73 10.929 3.639 7.986
593 HG1 ILE 73 2HG1 ILE 73 8.964 3.811 9.841
594 HG1 ILE 73 QG1 ILE 73 8.964 3.811 9.841
595 1HG2 ILE 73 2HG2 ILE 73 12.888 3.580 10.059
596 2HG2 ILE 73 3HG2 ILE 73 11.938 2.077 10.140
597 3HG2 ILE 73 1HG2 ILE 73 12.745 2.540 8.622
598 1HD1 ILE 73 1HD1 ILE 73 9.417 2.354 7.584
599 2HD1 ILE 73 2HD1 ILE 73 9.462 1.055 8.798
600 3HD1 ILE 73 3HD1 ILE 73 8.017 2.084 8.648
601 H GLY 74 H GLY 74 10.722 6.396 7.244
602 1HA GLY 74 1HA GLY 74 12.249 8.329 6.776
603 2HA GLY 74 2HA GLY 74 13.561 7.213 7.097
604 H GLY 75 H GLY 75 10.464 6.402 5.443
605 1HA GLY 75 1HA GLY 75 11.963 6.119 2.913
606 2HA GLY 75 2HA GLY 75 10.953 4.826 3.530
607 H GLU 76 H GLU 76 9.276 4.772 2.042
608 HA GLU 76 HA GLU 76 7.398 6.878 2.229
609 HB GLU 76 2HB GLU 76 8.861 7.903 0.547
610 HB GLU 76 QB GLU 76 8.861 7.903 0.547
611 HG GLU 76 2HG GLU 76 9.574 5.430 -0.252
612 HG GLU 76 QG GLU 76 9.574 5.430 -0.252
613 HE1 GLU 76 HE GLU 76 7.258 7.204 -2.168
614 H MET 77 H MET 77 5.300 6.226 1.428
615 HA MET 77 HA MET 77 5.238 3.375 0.826
616 HB MET 77 2HB MET 77 2.978 5.166 1.870
617 HB MET 77 QB MET 77 2.978 5.166 1.870
618 HG MET 77 2HG MET 77 2.753 2.661 0.829
619 HG MET 77 QG MET 77 2.753 2.661 0.829
620 1HE MET 77 2HE MET 77 2.149 0.335 1.511
621 2HE MET 77 3HE MET 77 2.676 -0.504 2.989
622 3HE MET 77 1HE MET 77 1.320 0.646 3.055
623 H VAL 78 H VAL 78 4.364 2.655 -1.096
624 HA VAL 78 HA VAL 78 2.872 4.630 -2.673
625 HB VAL 78 HB VAL 78 4.945 2.709 -3.746
626 1HG1 VAL 78 3HG1 VAL 78 3.287 4.907 -5.016
627 2HG1 VAL 78 1HG1 VAL 78 4.724 4.195 -5.787
628 3HG1 VAL 78 2HG1 VAL 78 3.313 3.174 -5.423
629 1HG2 VAL 78 1HG2 VAL 78 5.728 4.713 -2.251
630 2HG2 VAL 78 2HG2 VAL 78 6.535 4.395 -3.805
631 3HG2 VAL 78 3HG2 VAL 78 5.322 5.692 -3.681
632 H VAL 79 H VAL 79 1.244 3.730 -4.069
633 HA VAL 79 HA VAL 79 0.788 0.873 -3.830
634 HB VAL 79 HB VAL 79 -0.346 1.726 -1.893
635 1HG1 VAL 79 2HG1 VAL 79 -1.290 3.839 -3.787
636 2HG1 VAL 79 3HG1 VAL 79 -2.382 3.343 -2.471
637 3HG1 VAL 79 1HG1 VAL 79 -0.761 3.971 -2.093
638 1HG2 VAL 79 1HG2 VAL 79 -2.275 1.098 -4.153
639 2HG2 VAL 79 2HG2 VAL 79 -1.479 -0.067 -3.067
640 3HG2 VAL 79 3HG2 VAL 79 -2.688 1.069 -2.422
641 H CYS 80 H CYS 80 -0.223 0.023 -5.649
642 HA CYS 80 HA CYS 80 -1.093 2.013 -7.614
643 HB CYS 80 2HB CYS 80 1.203 0.877 -8.041
644 HB CYS 80 QB CYS 80 1.203 0.877 -8.041
645 HG CYS 80 HG CYS 80 -0.427 -1.333 -9.692
646 H ALA 81 H ALA 81 -1.995 0.081 -9.542
647 HA ALA 81 HA ALA 81 -3.629 -1.351 -10.005
648 1HB ALA 81 3HB ALA 81 -2.617 -2.787 -8.220
649 2HB ALA 81 1HB ALA 81 -3.690 -2.009 -7.033
650 3HB ALA 81 2HB ALA 81 -4.382 -2.977 -8.356
651 H ILE 82 H ILE 82 -4.118 1.390 -9.712
652 HA ILE 82 HA ILE 82 -6.222 1.980 -7.969
653 HB ILE 82 HB ILE 82 -4.672 3.557 -9.173
654 HG1 ILE 82 2HG1 ILE 82 -7.617 4.224 -9.407
655 HG1 ILE 82 QG1 ILE 82 -7.617 4.224 -9.407
656 1HG2 ILE 82 1HG2 ILE 82 -4.958 2.569 -11.428
657 2HG2 ILE 82 2HG2 ILE 82 -6.623 3.197 -11.462
658 3HG2 ILE 82 3HG2 ILE 82 -5.248 4.324 -11.386
659 1HD1 ILE 82 3HD1 ILE 82 -5.903 3.621 -7.067
660 2HD1 ILE 82 1HD1 ILE 82 -6.702 5.209 -6.986
661 3HD1 ILE 82 2HD1 ILE 82 -7.677 3.733 -7.180
662 H SER 83 H SER 83 -8.474 2.723 -8.879
663 HA SER 83 HA SER 83 -9.406 1.226 -11.091
664 HB SER 83 2HB SER 83 -11.046 0.411 -8.797
665 HB SER 83 QB SER 83 -11.046 0.411 -8.797
666 HG SER 83 HG SER 83 -10.925 -1.588 -9.833
667 HA PRO 84 HA PRO 84 -12.500 4.273 -10.786
668 HB PRO 84 2HB PRO 84 -13.377 3.765 -12.853
669 HB PRO 84 QB PRO 84 -13.377 3.765 -12.853
670 HG PRO 84 2HG PRO 84 -13.009 1.597 -13.549
671 HG PRO 84 QG PRO 84 -13.009 1.597 -13.549
672 HD PRO 84 2HD PRO 84 -11.137 1.085 -12.319
673 HD PRO 84 QD PRO 84 -11.137 1.085 -12.319
674 H ALA 85 H ALA 85 -12.899 1.398 -9.080
675 HA ALA 85 HA ALA 85 -14.878 2.770 -7.395
676 1HB ALA 85 1HB ALA 85 -14.809 -0.035 -8.489
677 2HB ALA 85 2HB ALA 85 -15.532 0.257 -6.890
678 3HB ALA 85 3HB ALA 85 -16.182 1.085 -8.324
679 H VAL 86 H VAL 86 -12.103 3.128 -7.083
680 HA VAL 86 HA VAL 86 -11.790 1.976 -4.464
681 HB VAL 86 HB VAL 86 -10.377 0.950 -6.816
682 1HG1 VAL 86 2HG1 VAL 86 -8.602 2.423 -5.976
683 2HG1 VAL 86 3HG1 VAL 86 -8.763 1.703 -4.355
684 3HG1 VAL 86 1HG1 VAL 86 -8.192 0.710 -5.718
685 1HG2 VAL 86 1HG2 VAL 86 -11.115 0.059 -4.054
686 2HG2 VAL 86 2HG2 VAL 86 -11.424 -0.713 -5.628
687 3HG2 VAL 86 3HG2 VAL 86 -9.802 -0.793 -4.900
688 H LYS 87 H LYS 87 -10.620 3.994 -7.189
689 HA LYS 87 HA LYS 87 -8.883 5.515 -5.502
690 HB LYS 87 2HB LYS 87 -8.860 5.014 -8.122
691 HB LYS 87 QB LYS 87 -8.860 5.014 -8.122
692 HG LYS 87 2HG LYS 87 -10.001 7.832 -8.014
693 HG LYS 87 QG LYS 87 -10.001 7.832 -8.014
694 HD LYS 87 2HD LYS 87 -9.184 5.851 -10.145
695 HD LYS 87 QD LYS 87 -9.184 5.851 -10.145
696 HE LYS 87 2HE LYS 87 -11.729 6.950 -10.236
697 HE LYS 87 QE LYS 87 -11.729 6.950 -10.236
698 1HZ LYS 87 1HZ LYS 87 -11.646 9.002 -11.129
699 2HZ LYS 87 2HZ LYS 87 -10.073 9.082 -10.722
700 H ARG 88 H ARG 88 -12.244 5.296 -5.834
701 HA ARG 88 HA ARG 88 -12.763 8.077 -5.599
702 HB ARG 88 2HB ARG 88 -14.617 7.073 -6.565
703 HB ARG 88 QB ARG 88 -14.617 7.073 -6.565
704 HG ARG 88 2HG ARG 88 -13.752 4.781 -6.529
705 HG ARG 88 QG ARG 88 -13.752 4.781 -6.529
706 HD ARG 88 2HD ARG 88 -14.132 5.121 -3.573
707 HD ARG 88 QD ARG 88 -14.132 5.121 -3.573
708 HE ARG 88 HE ARG 88 -14.219 2.321 -4.378
709 1HH1 ARG 88 2HH2 ARG 88 -16.240 5.136 -3.641
710 2HH1 ARG 88 1HH2 ARG 88 -17.624 4.186 -3.213
711 HH2 ARG 88 1HH ARG 88 -17.486 1.797 -3.321
712 H LEU 89 H LEU 89 -11.808 5.514 -3.486
713 HA LEU 89 HA LEU 89 -13.174 6.406 -1.154
714 HB LEU 89 2HB LEU 89 -11.530 4.871 -0.025
715 HB LEU 89 QB LEU 89 -11.530 4.871 -0.025
716 HG LEU 89 HG LEU 89 -13.389 3.954 -2.178
717 1HD1 LEU 89 2HD1 LEU 89 -11.249 2.539 -2.258
718 2HD1 LEU 89 3HD1 LEU 89 -11.749 1.930 -0.662
719 3HD1 LEU 89 1HD1 LEU 89 -12.804 1.693 -2.075
720 1HD2 LEU 89 2HD2 LEU 89 -13.774 4.558 0.412
721 2HD2 LEU 89 3HD2 LEU 89 -14.747 3.358 -0.472
722 3HD2 LEU 89 1HD2 LEU 89 -13.403 2.823 0.566
723 H PHE 90 H PHE 90 -9.941 6.943 -2.642
724 HA PHE 90 HA PHE 90 -9.174 8.625 -0.423
725 HB PHE 90 2HB PHE 90 -7.039 8.670 -1.666
726 HB PHE 90 QB PHE 90 -7.039 8.670 -1.666
727 HD1 PHE 90 1HD PHE 90 -8.608 5.818 -3.386
728 HD2 PHE 90 2HD PHE 90 -6.344 7.076 -0.026
729 HE1 PHE 90 1HE PHE 90 -8.074 3.425 -2.850
730 HE2 PHE 90 2HE PHE 90 -5.809 4.683 0.510
731 HZ PHE 90 HZ PHE 90 -6.681 2.886 -0.908
732 H ASP 91 H ASP 91 -10.731 8.902 -3.541
733 HA ASP 91 HA ASP 91 -9.875 11.515 -4.100
734 HB ASP 91 2HB ASP 91 -12.509 10.958 -5.186
735 HB ASP 91 QB ASP 91 -12.509 10.958 -5.186
736 HD1 ASP 91 HD ASP 91 -11.960 12.417 -7.222
737 H MET 92 H MET 92 -12.540 9.983 -2.262
738 HA MET 92 HA MET 92 -13.955 12.443 -1.965
739 HB MET 92 2HB MET 92 -14.247 9.710 -0.593
740 HB MET 92 QB MET 92 -14.247 9.710 -0.593
741 HG MET 92 2HG MET 92 -16.680 11.320 -0.869
742 HG MET 92 QG MET 92 -16.680 11.320 -0.869
743 1HE MET 92 3HE MET 92 -17.155 12.217 1.759
744 2HE MET 92 1HE MET 92 -17.411 10.952 2.985
745 3HE MET 92 2HE MET 92 -15.836 11.774 2.870
746 H SER 93 H SER 93 -11.755 10.367 -0.019
747 HA SER 93 HA SER 93 -12.134 11.756 2.366
748 HB SER 93 2HB SER 93 -9.905 9.979 1.313
749 HB SER 93 QB SER 93 -9.905 9.979 1.313
750 HG SER 93 HG SER 93 -8.704 10.693 2.931
751 H GLY 94 H GLY 94 -10.158 12.315 -0.527
752 1HA GLY 94 1HA GLY 94 -9.030 14.162 -1.174
753 2HA GLY 94 2HA GLY 94 -9.553 14.983 0.282
754 H LEU 95 H LEU 95 -8.239 12.040 1.277
755 HA LEU 95 HA LEU 95 -5.738 13.376 1.954
756 HB LEU 95 2HB LEU 95 -6.572 10.720 3.039
757 HB LEU 95 QB LEU 95 -6.572 10.720 3.039
758 HG LEU 95 HG LEU 95 -4.586 11.344 4.058
759 1HD1 LEU 95 2HD1 LEU 95 -5.585 14.189 3.917
760 2HD1 LEU 95 3HD1 LEU 95 -4.182 13.710 4.900
761 3HD1 LEU 95 1HD1 LEU 95 -4.158 13.468 3.137
762 1HD2 LEU 95 3HD2 LEU 95 -6.459 10.905 5.677
763 2HD2 LEU 95 1HD2 LEU 95 -5.090 11.836 6.332
764 3HD2 LEU 95 2HD2 LEU 95 -6.600 12.667 5.888
765 H PHE 96 H PHE 96 -6.762 11.889 -0.689
766 HA PHE 96 HA PHE 96 -5.345 9.618 -1.116
767 HB PHE 96 2HB PHE 96 -5.186 11.659 -3.293
768 HB PHE 96 QB PHE 96 -5.186 11.659 -3.293
769 HD1 PHE 96 2HD PHE 96 -4.767 8.549 -2.634
770 HD2 PHE 96 1HD PHE 96 -7.690 10.817 -4.714
771 HE1 PHE 96 2HE PHE 96 -5.316 6.548 -4.045
772 HE2 PHE 96 1HE PHE 96 -8.239 8.815 -6.125
773 HZ PHE 96 HZ PHE 96 -7.046 6.704 -5.774
774 H LYS 97 H LYS 97 -4.152 13.013 -1.157
775 HA LYS 97 HA LYS 97 -1.648 12.458 -2.261
776 HB LYS 97 2HB LYS 97 -1.084 14.656 -1.660
777 HB LYS 97 QB LYS 97 -1.084 14.656 -1.660
778 HG LYS 97 2HG LYS 97 -3.973 15.261 -1.526
779 HG LYS 97 QG LYS 97 -3.973 15.261 -1.526
780 HD LYS 97 2HD LYS 97 -1.724 15.724 -3.534
781 HD LYS 97 QD LYS 97 -1.724 15.724 -3.534
782 HE LYS 97 2HE LYS 97 -3.968 17.485 -3.932
783 HE LYS 97 QE LYS 97 -3.968 17.485 -3.932
784 1HZ LYS 97 1HZ LYS 97 -2.614 17.083 -5.757
785 2HZ LYS 97 2HZ LYS 97 -2.509 15.477 -5.510
786 H ILE 98 H ILE 98 -3.051 11.699 0.834
787 HA ILE 98 HA ILE 98 -0.532 11.557 2.203
788 HB ILE 98 HB ILE 98 -3.196 11.772 2.930
789 HG1 ILE 98 2HG1 ILE 98 -2.213 12.601 4.745
790 HG1 ILE 98 QG1 ILE 98 -2.213 12.601 4.745
791 1HG2 ILE 98 3HG2 ILE 98 -2.155 9.016 3.612
792 2HG2 ILE 98 1HG2 ILE 98 -3.460 9.824 4.513
793 3HG2 ILE 98 2HG2 ILE 98 -3.669 9.454 2.784
794 1HD1 ILE 98 3HD1 ILE 98 -1.043 9.808 5.065
795 2HD1 ILE 98 1HD1 ILE 98 -0.669 11.135 6.191
796 3HD1 ILE 98 2HD1 ILE 98 -2.347 10.565 6.013
797 H ILE 99 H ILE 99 -2.333 9.603 -0.019
798 HA ILE 99 HA ILE 99 -0.738 7.271 0.786
799 HB ILE 99 HB ILE 99 -3.543 7.589 -0.100
800 HG1 ILE 99 2HG1 ILE 99 -2.123 6.515 2.108
801 HG1 ILE 99 QG1 ILE 99 -2.123 6.515 2.108
802 1HG2 ILE 99 1HG2 ILE 99 -1.808 5.283 -1.015
803 2HG2 ILE 99 2HG2 ILE 99 -3.587 5.257 -0.991
804 3HG2 ILE 99 3HG2 ILE 99 -2.729 6.421 -2.027
805 1HD1 ILE 99 1HD1 ILE 99 -4.333 7.759 2.054
806 2HD1 ILE 99 2HD1 ILE 99 -5.086 6.275 1.423
807 3HD1 ILE 99 3HD1 ILE 99 -4.355 6.282 3.046
808 H ARG 100 H ARG 100 -1.130 9.799 -1.470
809 HA ARG 100 HA ARG 100 -0.589 10.057 -3.584
810 HB ARG 100 2HB ARG 100 1.960 8.520 -3.213
811 HB ARG 100 QB ARG 100 1.960 8.520 -3.213
812 HG ARG 100 2HG ARG 100 1.079 10.749 -4.705
813 HG ARG 100 QG ARG 100 1.079 10.749 -4.705
814 HD ARG 100 2HD ARG 100 3.335 11.851 -3.105
815 HD ARG 100 QD ARG 100 3.335 11.851 -3.105
816 HE ARG 100 HE ARG 100 1.129 12.854 -4.725
817 1HH1 ARG 100 2HH2 ARG 100 3.443 13.752 -2.197
818 2HH1 ARG 100 1HH2 ARG 100 3.378 15.443 -2.566
819 HH2 ARG 100 1HH ARG 100 1.962 16.205 -4.342
820 H PHE 101 H PHE 101 -2.028 8.765 -4.840
821 HA PHE 101 HA PHE 101 -0.998 6.103 -5.526
822 HB PHE 101 2HB PHE 101 -3.821 7.004 -6.121
823 HB PHE 101 QB PHE 101 -3.821 7.004 -6.121
824 HD1 PHE 101 1HD PHE 101 -3.461 4.968 -7.617
825 HD2 PHE 101 2HD PHE 101 -3.412 4.749 -3.380
826 HE1 PHE 101 1HE PHE 101 -3.878 2.497 -7.740
827 HE2 PHE 101 2HE PHE 101 -3.829 2.276 -3.502
828 HZ PHE 101 HZ PHE 101 -4.056 1.180 -5.681
829 H GLU 102 H GLU 102 -1.727 5.383 -7.817
830 HA GLU 102 HA GLU 102 -1.914 7.637 -9.614
831 HB GLU 102 2HB GLU 102 0.049 5.581 -10.492
832 HB GLU 102 QB GLU 102 0.049 5.581 -10.492
833 HG GLU 102 2HG GLU 102 1.094 8.230 -10.525
834 HG GLU 102 QG GLU 102 1.094 8.230 -10.525
835 HE2 GLU 102 HE GLU 102 -0.941 8.029 -13.166
836 H GLN 103 H GLN 103 -0.962 5.293 -11.636
837 HA GLN 103 HA GLN 103 -3.235 3.579 -11.478
838 HB GLN 103 2HB GLN 103 -4.451 4.307 -13.323
839 HB GLN 103 QB GLN 103 -4.451 4.307 -13.323
840 HG GLN 103 2HG GLN 103 -3.085 6.811 -12.237
841 HG GLN 103 QG GLN 103 -3.085 6.811 -12.237
842 1HE2 GLN 103 2HE2 GLN 103 -6.433 8.159 -13.795
843 2HE2 GLN 103 1HE2 GLN 103 -6.174 7.429 -12.246
844 H SER 104 H SER 104 -2.202 1.647 -11.763
845 HA SER 104 HA SER 104 -0.799 0.149 -12.489
846 HB SER 104 2HB SER 104 -1.667 1.527 -15.031
847 HB SER 104 QB SER 104 -1.667 1.527 -15.031
848 HG SER 104 HG SER 104 -0.238 -0.940 -15.178
849 H GLU 105 H GLU 105 0.135 2.772 -14.825
850 HA GLU 105 HA GLU 105 2.690 2.392 -15.056
851 HB GLU 105 2HB GLU 105 1.450 5.115 -14.455
852 HB GLU 105 QB GLU 105 1.450 5.115 -14.455
853 HG GLU 105 2HG GLU 105 4.168 4.437 -14.903
854 HG GLU 105 QG GLU 105 4.168 4.437 -14.903
855 HE1 GLU 105 HE GLU 105 4.289 4.015 -18.298
856 H GLN 106 H GLN 106 1.124 3.530 -12.065
857 HA GLN 106 HA GLN 106 3.200 4.550 -10.697
858 HB GLN 106 2HB GLN 106 0.996 2.703 -9.679
859 HB GLN 106 QB GLN 106 0.996 2.703 -9.679
860 HG GLN 106 2HG GLN 106 3.236 4.039 -8.299
861 HG GLN 106 QG GLN 106 3.236 4.039 -8.299
862 1HE2 GLN 106 2HE2 GLN 106 1.821 6.430 -6.251
863 2HE2 GLN 106 1HE2 GLN 106 3.213 5.637 -6.910
864 H GLN 107 H GLN 107 2.771 1.245 -11.792
865 HA GLN 107 HA GLN 107 4.077 -0.252 -10.023
866 HB GLN 107 2HB GLN 107 4.155 -0.256 -13.054
867 HB GLN 107 QB GLN 107 4.155 -0.256 -13.054
868 HG GLN 107 2HG GLN 107 5.333 -2.361 -11.178
869 HG GLN 107 QG GLN 107 5.333 -2.361 -11.178
870 1HE2 GLN 107 2HE2 GLN 107 5.988 -3.267 -15.054
871 2HE2 GLN 107 1HE2 GLN 107 6.731 -1.963 -14.189
872 H ALA 108 H ALA 108 5.378 2.468 -11.759
873 HA ALA 108 HA ALA 108 8.125 1.606 -11.341
874 1HB ALA 108 1HB ALA 108 6.854 3.060 -13.321
875 2HB ALA 108 2HB ALA 108 7.611 4.335 -12.337
876 3HB ALA 108 3HB ALA 108 8.609 3.034 -13.031
877 H LEU 109 H LEU 109 5.727 4.062 -10.236
878 HA LEU 109 HA LEU 109 7.589 5.325 -8.495
879 HB LEU 109 2HB LEU 109 4.612 5.472 -8.897
880 HB LEU 109 QB LEU 109 4.612 5.472 -8.897
881 HG LEU 109 HG LEU 109 5.023 5.997 -6.515
882 1HD1 LEU 109 3HD1 LEU 109 7.450 6.938 -7.299
883 2HD1 LEU 109 1HD1 LEU 109 6.545 8.458 -7.093
884 3HD1 LEU 109 2HD1 LEU 109 6.674 7.309 -5.740
885 1HD2 LEU 109 2HD2 LEU 109 3.405 7.265 -8.134
886 2HD2 LEU 109 3HD2 LEU 109 3.687 7.873 -6.485
887 3HD2 LEU 109 1HD2 LEU 109 4.520 8.627 -7.866
888 H LEU 110 H LEU 110 5.611 2.445 -8.390
889 HA LEU 110 HA LEU 110 5.100 2.258 -5.682
890 HB LEU 110 2HB LEU 110 5.191 -0.247 -6.172
891 HB LEU 110 QB LEU 110 5.191 -0.247 -6.172
892 HG LEU 110 HG LEU 110 3.461 1.517 -7.925
893 1HD1 LEU 110 3HD1 LEU 110 3.922 -1.196 -8.285
894 2HD1 LEU 110 1HD1 LEU 110 2.415 -1.138 -7.340
895 3HD1 LEU 110 2HD1 LEU 110 2.530 -0.263 -8.886
896 1HD2 LEU 110 3HD2 LEU 110 3.444 1.134 -5.157
897 2HD2 LEU 110 1HD2 LEU 110 2.155 1.845 -6.158
898 3HD2 LEU 110 2HD2 LEU 110 2.126 0.107 -5.773
899 H THR 111 H THR 111 8.027 1.306 -7.578
900 HA THR 111 HA THR 111 9.431 0.139 -5.486
901 HB THR 111 HB THR 111 9.903 1.190 -8.209
902 HG1 THR 111 1HG THR 111 10.393 -0.966 -8.170
903 1HG2 THR 111 1HG2 THR 111 12.175 1.148 -6.154
904 2HG2 THR 111 2HG2 THR 111 12.411 1.164 -7.918
905 3HG2 THR 111 3HG2 THR 111 11.654 2.557 -7.108
906 H LEU 112 H LEU 112 8.174 3.217 -5.493
907 HA LEU 112 HA LEU 112 8.440 4.635 -3.716
908 HB LEU 112 2HB LEU 112 10.322 2.839 -2.983
909 HB LEU 112 QB LEU 112 10.322 2.839 -2.983
910 HG LEU 112 HG LEU 112 11.872 4.882 -4.227
911 1HD1 LEU 112 3HD1 LEU 112 11.639 5.169 -1.276
912 2HD1 LEU 112 1HD1 LEU 112 13.271 5.259 -1.981
913 3HD1 LEU 112 2HD1 LEU 112 12.000 6.380 -2.529
914 1HD2 LEU 112 2HD2 LEU 112 12.255 2.308 -2.839
915 2HD2 LEU 112 3HD2 LEU 112 12.944 2.913 -4.365
916 3HD2 LEU 112 1HD2 LEU 112 13.661 3.400 -2.809
917 H GLY 113 H GLY 113 9.063 4.611 -6.752
918 1HA GLY 113 1HA GLY 113 9.803 6.048 -8.319
919 2HA GLY 113 2HA GLY 113 9.397 7.294 -7.156
920 H VAL 114 H VAL 114 11.811 4.939 -6.164
921 HA VAL 114 HA VAL 114 14.007 6.569 -7.109
922 HB VAL 114 HB VAL 114 13.059 6.477 -4.283
923 1HG1 VAL 114 1HG1 VAL 114 15.859 6.019 -5.133
924 2HG1 VAL 114 2HG1 VAL 114 15.629 7.294 -3.911
925 3HG1 VAL 114 3HG1 VAL 114 15.045 5.642 -3.594
926 1HG2 VAL 114 2HG2 VAL 114 14.218 8.519 -6.173
927 2HG2 VAL 114 3HG2 VAL 114 12.679 8.551 -5.280
928 3HG2 VAL 114 1HG2 VAL 114 14.215 8.803 -4.416
929 H ALA 115 H ALA 115 14.317 4.571 -8.342
930 HA ALA 115 HA ALA 115 16.268 2.963 -7.461
931 1HB ALA 115 3HB ALA 115 13.771 2.277 -6.123
932 2HB ALA 115 1HB ALA 115 14.387 0.907 -7.078
933 3HB ALA 115 2HB ALA 115 15.416 1.660 -5.837
934 H SER 116 H SER 116 16.780 3.155 -9.667
935 HA SER 116 HA SER 116 16.698 2.772 -11.810
936 HB SER 116 2HB SER 116 15.265 0.229 -11.834
937 HB SER 116 QB SER 116 15.265 0.229 -11.834
938 HG SER 116 HG SER 116 17.734 -0.382 -12.019
No H/Q in entry = 795
Start of MODEL 10
1 H SER 1 H SER 1 -12.490 -13.739 1.277
2 HA SER 1 HA SER 1 -10.373 -15.724 1.001
3 HB SER 1 2HB SER 1 -11.074 -14.853 -1.607
4 HB SER 1 QB SER 1 -11.074 -14.853 -1.607
5 HG SER 1 HG SER 1 -10.520 -17.094 -0.532
6 H LEU 2 H LEU 2 -8.340 -14.883 0.462
7 HA LEU 2 HA LEU 2 -7.923 -12.502 -0.894
8 HB LEU 2 2HB LEU 2 -8.212 -12.237 2.064
9 HB LEU 2 QB LEU 2 -8.212 -12.237 2.064
10 HG LEU 2 HG LEU 2 -5.832 -11.394 0.942
11 1HD1 LEU 2 3HD1 LEU 2 -7.680 -9.653 -0.133
12 2HD1 LEU 2 1HD1 LEU 2 -7.075 -8.768 1.287
13 3HD1 LEU 2 2HD1 LEU 2 -5.936 -9.351 0.051
14 1HD2 LEU 2 2HD2 LEU 2 -7.358 -10.967 3.394
15 2HD2 LEU 2 3HD2 LEU 2 -5.620 -11.270 3.157
16 3HD2 LEU 2 1HD2 LEU 2 -6.261 -9.616 3.016
17 H GLY 3 H GLY 3 -5.744 -12.323 -1.449
18 1HA GLY 3 1HA GLY 3 -4.046 -14.481 -0.379
19 2HA GLY 3 2HA GLY 3 -3.890 -13.712 -1.946
20 H ILE 4 H ILE 4 -1.592 -13.360 -1.361
21 HA ILE 4 HA ILE 4 -1.082 -10.769 -0.596
22 HB ILE 4 HB ILE 4 -1.851 -11.997 1.642
23 HG1 ILE 4 2HG1 ILE 4 -0.248 -10.323 2.825
24 HG1 ILE 4 QG1 ILE 4 -0.248 -10.323 2.825
25 1HG2 ILE 4 3HG2 ILE 4 0.001 -13.689 1.398
26 2HG2 ILE 4 1HG2 ILE 4 1.151 -12.369 1.722
27 3HG2 ILE 4 2HG2 ILE 4 -0.051 -12.827 2.954
28 1HD1 ILE 4 1HD1 ILE 4 1.285 -10.274 0.733
29 2HD1 ILE 4 2HD1 ILE 4 0.002 -9.304 -0.030
30 3HD1 ILE 4 3HD1 ILE 4 0.820 -8.705 1.434
31 H ASP 5 H ASP 5 0.971 -10.253 -1.280
32 HA ASP 5 HA ASP 5 2.766 -12.515 -1.638
33 HB ASP 5 2HB ASP 5 3.120 -10.433 -3.670
34 HB ASP 5 QB ASP 5 3.120 -10.433 -3.670
35 HD2 ASP 5 HD ASP 5 1.675 -13.772 -3.734
36 H MET 6 H MET 6 5.122 -11.666 -1.988
37 HA MET 6 HA MET 6 5.545 -8.975 -1.093
38 HB MET 6 2HB MET 6 7.287 -10.185 0.631
39 HB MET 6 QB MET 6 7.287 -10.185 0.631
40 HG MET 6 2HG MET 6 4.320 -9.840 1.280
41 HG MET 6 QG MET 6 4.320 -9.840 1.280
42 1HE MET 6 3HE MET 6 4.544 -11.824 2.664
43 2HE MET 6 1HE MET 6 5.112 -11.764 4.349
44 3HE MET 6 2HE MET 6 3.773 -10.717 3.824
45 H ASN 7 H ASN 7 7.543 -8.141 -1.796
46 HA ASN 7 HA ASN 7 9.402 -10.070 -2.892
47 HB ASN 7 2HB ASN 7 9.325 -7.759 -4.643
48 HB ASN 7 QB ASN 7 9.325 -7.759 -4.643
49 1HD2 ASN 7 2HD2 ASN 7 10.588 -10.428 -6.505
50 2HD2 ASN 7 1HD2 ASN 7 10.901 -8.981 -5.604
51 H VAL 8 H VAL 8 11.461 -8.600 -3.726
52 HA VAL 8 HA VAL 8 11.772 -6.246 -2.053
53 HB VAL 8 HB VAL 8 12.888 -8.851 -1.450
54 1HG1 VAL 8 3HG1 VAL 8 14.815 -8.029 -2.749
55 2HG1 VAL 8 1HG1 VAL 8 14.874 -6.570 -1.731
56 3HG1 VAL 8 2HG1 VAL 8 15.197 -8.168 -1.015
57 1HG2 VAL 8 3HG2 VAL 8 11.736 -6.984 0.001
58 2HG2 VAL 8 1HG2 VAL 8 13.014 -8.008 0.698
59 3HG2 VAL 8 2HG2 VAL 8 13.396 -6.359 0.148
60 H LYS 9 H LYS 9 13.144 -4.718 -2.975
61 HA LYS 9 HA LYS 9 14.801 -5.549 -5.200
62 HB LYS 9 2HB LYS 9 13.695 -4.516 -6.884
63 HB LYS 9 QB LYS 9 13.695 -4.516 -6.884
64 HG LYS 9 2HG LYS 9 11.116 -4.406 -6.321
65 HG LYS 9 QG LYS 9 11.116 -4.406 -6.321
66 HD LYS 9 2HD LYS 9 11.444 -7.127 -5.856
67 HD LYS 9 QD LYS 9 11.444 -7.127 -5.856
68 HE LYS 9 2HE LYS 9 11.127 -7.392 -8.229
69 HE LYS 9 QE LYS 9 11.127 -7.392 -8.229
70 1HZ LYS 9 1HZ LYS 9 9.952 -4.811 -8.304
71 2HZ LYS 9 2HZ LYS 9 9.206 -6.254 -8.180
72 H GLU 10 H GLU 10 16.717 -4.854 -4.375
73 HA GLU 10 HA GLU 10 18.261 -3.506 -3.662
74 HB GLU 10 2HB GLU 10 16.324 -1.467 -4.772
75 HB GLU 10 QB GLU 10 16.324 -1.467 -4.772
76 HG GLU 10 2HG GLU 10 18.619 -0.975 -2.935
77 HG GLU 10 QG GLU 10 18.619 -0.975 -2.935
78 HE2 GLU 10 HE GLU 10 19.360 1.999 -5.152
79 H SER 11 H SER 11 14.966 -3.000 -2.477
80 HA SER 11 HA SER 11 15.503 -3.287 0.109
81 HB SER 11 2HB SER 11 16.625 -1.471 0.845
82 HB SER 11 QB SER 11 16.625 -1.471 0.845
83 HG SER 11 HG SER 11 16.797 0.471 -0.680
84 H VAL 12 H VAL 12 13.633 -2.428 -2.535
85 HA VAL 12 HA VAL 12 11.347 -1.553 -0.951
86 HB VAL 12 HB VAL 12 12.049 -0.367 -3.032
87 1HG1 VAL 12 2HG1 VAL 12 12.313 -2.897 -4.105
88 2HG1 VAL 12 3HG1 VAL 12 10.791 -2.321 -4.826
89 3HG1 VAL 12 1HG1 VAL 12 12.283 -1.374 -5.026
90 1HG2 VAL 12 2HG2 VAL 12 9.770 -0.167 -2.163
91 2HG2 VAL 12 3HG2 VAL 12 9.768 -0.152 -3.943
92 3HG2 VAL 12 1HG2 VAL 12 9.282 -1.622 -3.065
93 H LEU 13 H LEU 13 9.882 -2.999 -0.221
94 HA LEU 13 HA LEU 13 9.969 -5.671 -1.397
95 HB LEU 13 2HB LEU 13 9.831 -6.385 0.675
96 HB LEU 13 QB LEU 13 9.831 -6.385 0.675
97 HG LEU 13 HG LEU 13 10.068 -5.046 2.590
98 1HD1 LEU 13 2HD1 LEU 13 11.728 -4.710 0.444
99 2HD1 LEU 13 3HD1 LEU 13 11.330 -3.027 0.864
100 3HD1 LEU 13 1HD1 LEU 13 12.039 -4.105 2.090
101 1HD2 LEU 13 2HD2 LEU 13 8.542 -2.996 1.034
102 2HD2 LEU 13 3HD2 LEU 13 8.316 -3.571 2.702
103 3HD2 LEU 13 1HD2 LEU 13 9.653 -2.461 2.317
104 H CYS 14 H CYS 14 8.544 -6.084 -2.992
105 HA CYS 14 HA CYS 14 6.264 -4.390 -3.304
106 HB CYS 14 2HB CYS 14 6.087 -5.251 -5.418
107 HB CYS 14 QB CYS 14 6.087 -5.251 -5.418
108 HG CYS 14 HG CYS 14 8.696 -4.454 -4.525
109 H ILE 15 H ILE 15 4.244 -4.782 -2.447
110 HA ILE 15 HA ILE 15 3.781 -7.488 -1.396
111 HB ILE 15 HB ILE 15 3.225 -4.771 -0.315
112 HG1 ILE 15 2HG1 ILE 15 3.847 -7.351 1.134
113 HG1 ILE 15 QG1 ILE 15 3.847 -7.351 1.134
114 1HG2 ILE 15 3HG2 ILE 15 1.308 -7.045 -0.245
115 2HG2 ILE 15 1HG2 ILE 15 1.587 -6.164 1.275
116 3HG2 ILE 15 2HG2 ILE 15 1.022 -5.290 -0.167
117 1HD1 ILE 15 1HD1 ILE 15 5.648 -5.411 -0.336
118 2HD1 ILE 15 2HD1 ILE 15 6.222 -6.214 1.147
119 3HD1 ILE 15 3HD1 ILE 15 5.737 -7.188 -0.263
120 H ARG 16 H ARG 16 2.674 -8.519 -3.012
121 HA ARG 16 HA ARG 16 0.671 -7.010 -4.414
122 HB ARG 16 2HB ARG 16 0.675 -9.807 -5.155
123 HB ARG 16 QB ARG 16 0.675 -9.807 -5.155
124 HG ARG 16 2HG ARG 16 1.051 -7.166 -6.355
125 HG ARG 16 QG ARG 16 1.051 -7.166 -6.355
126 HD ARG 16 2HD ARG 16 3.001 -9.364 -7.056
127 HD ARG 16 QD ARG 16 3.001 -9.364 -7.056
128 HE ARG 16 HE ARG 16 1.426 -7.878 -9.039
129 1HH1 ARG 16 2HH2 ARG 16 4.516 -9.492 -8.401
130 2HH1 ARG 16 1HH2 ARG 16 4.869 -9.750 -10.077
131 HH2 ARG 16 1HH ARG 16 3.312 -8.992 -11.735
132 H LEU 17 H LEU 17 -1.431 -6.969 -3.681
133 HA LEU 17 HA LEU 17 -2.253 -9.133 -1.887
134 HB LEU 17 2HB LEU 17 -3.947 -7.603 -1.092
135 HB LEU 17 QB LEU 17 -3.947 -7.603 -1.092
136 HG LEU 17 HG LEU 17 -2.652 -5.802 -0.105
137 1HD1 LEU 17 3HD1 LEU 17 -1.819 -8.601 -0.042
138 2HD1 LEU 17 1HD1 LEU 17 -0.527 -7.478 0.447
139 3HD1 LEU 17 2HD1 LEU 17 -2.097 -7.452 1.287
140 1HD2 LEU 17 3HD2 LEU 17 -1.311 -5.600 -2.422
141 2HD2 LEU 17 1HD2 LEU 17 -0.701 -4.959 -0.878
142 3HD2 LEU 17 2HD2 LEU 17 -0.124 -6.531 -1.478
143 H THR 18 H THR 18 -3.725 -10.622 -2.539
144 HA THR 18 HA THR 18 -5.347 -9.949 -4.897
145 HB THR 18 HB THR 18 -4.908 -12.562 -5.341
146 HG1 THR 18 1HG THR 18 -3.593 -12.379 -3.208
147 1HG2 THR 18 3HG2 THR 18 -3.592 -10.127 -6.239
148 2HG2 THR 18 1HG2 THR 18 -2.380 -11.419 -6.070
149 3HG2 THR 18 2HG2 THR 18 -3.797 -11.660 -7.121
150 H GLY 19 H GLY 19 -7.430 -9.940 -4.364
151 1HA GLY 19 1HA GLY 19 -9.042 -11.839 -3.607
152 2HA GLY 19 2HA GLY 19 -8.275 -11.547 -2.059
153 H GLU 20 H GLU 20 -9.416 -10.204 -0.743
154 HA GLU 20 HA GLU 20 -10.792 -7.993 -2.056
155 HB GLU 20 2HB GLU 20 -12.259 -8.519 0.275
156 HB GLU 20 QB GLU 20 -12.259 -8.519 0.275
157 HG GLU 20 2HG GLU 20 -12.622 -9.032 -2.676
158 HG GLU 20 QG GLU 20 -12.622 -9.032 -2.676
159 HE2 GLU 20 HE GLU 20 -15.330 -9.251 -0.212
160 H LEU 21 H LEU 21 -11.149 -6.074 -0.603
161 HA LEU 21 HA LEU 21 -9.111 -5.997 1.513
162 HB LEU 21 2HB LEU 21 -9.143 -3.456 0.798
163 HB LEU 21 QB LEU 21 -9.143 -3.456 0.798
164 HG LEU 21 HG LEU 21 -7.159 -3.682 -0.345
165 1HD1 LEU 21 3HD1 LEU 21 -7.232 -4.984 1.862
166 2HD1 LEU 21 1HD1 LEU 21 -7.222 -6.450 0.851
167 3HD1 LEU 21 2HD1 LEU 21 -5.870 -5.295 0.758
168 1HD2 LEU 21 3HD2 LEU 21 -8.483 -5.999 -1.675
169 2HD2 LEU 21 1HD2 LEU 21 -7.563 -4.643 -2.369
170 3HD2 LEU 21 2HD2 LEU 21 -6.705 -5.991 -1.584
171 H ASP 22 H ASP 22 -10.356 -6.262 3.330
172 HA ASP 22 HA ASP 22 -12.247 -4.143 3.797
173 HB ASP 22 2HB ASP 22 -13.993 -5.543 3.327
174 HB ASP 22 QB ASP 22 -13.993 -5.543 3.327
175 HD1 ASP 22 HD ASP 22 -12.954 -7.013 1.439
176 H HIS 23 H HIS 23 -12.940 -4.241 6.244
177 HA HIS 23 HA HIS 23 -10.825 -4.158 7.880
178 HB HIS 23 2HB HIS 23 -13.374 -3.625 8.218
179 HB HIS 23 QB HIS 23 -13.374 -3.625 8.218
180 HD1 HIS 23 1HD HIS 23 -12.839 -5.872 11.121
181 HD2 HIS 23 2HD HIS 23 -15.132 -5.857 7.608
182 HE1 HIS 23 1HE HIS 23 -14.622 -7.671 11.423
183 H HIS 24 H HIS 24 -12.366 -7.037 6.581
184 HA HIS 24 HA HIS 24 -11.205 -8.762 8.557
185 HB HIS 24 2HB HIS 24 -12.034 -10.452 6.640
186 HB HIS 24 QB HIS 24 -12.034 -10.452 6.640
187 HD1 HIS 24 1HD HIS 24 -15.268 -9.195 7.162
188 HD2 HIS 24 2HD HIS 24 -12.361 -10.756 9.751
189 HE1 HIS 24 1HE HIS 24 -16.510 -9.950 9.258
190 H THR 25 H THR 25 -10.781 -8.204 4.988
191 HA THR 25 HA THR 25 -8.322 -9.709 5.017
192 HB THR 25 HB THR 25 -8.433 -9.365 2.617
193 HG1 THR 25 1HG THR 25 -10.377 -7.695 2.155
194 1HG2 THR 25 1HG2 THR 25 -10.428 -10.688 3.690
195 2HG2 THR 25 2HG2 THR 25 -11.373 -9.206 3.407
196 3HG2 THR 25 3HG2 THR 25 -10.646 -10.075 2.033
197 H ALA 26 H ALA 26 -9.203 -6.577 5.964
198 HA ALA 26 HA ALA 26 -6.860 -5.255 4.979
199 1HB ALA 26 2HB ALA 26 -9.306 -4.612 6.520
200 2HB ALA 26 3HB ALA 26 -7.865 -3.678 6.989
201 3HB ALA 26 1HB ALA 26 -8.435 -3.650 5.303
202 H GLU 27 H GLU 27 -7.589 -7.470 7.519
203 HA GLU 27 HA GLU 27 -5.877 -6.469 9.477
204 HB GLU 27 2HB GLU 27 -6.074 -9.389 9.480
205 HB GLU 27 QB GLU 27 -6.074 -9.389 9.480
206 HG GLU 27 2HG GLU 27 -6.029 -7.390 11.351
207 HG GLU 27 QG GLU 27 -6.029 -7.390 11.351
208 HE2 GLU 27 HE GLU 27 -8.899 -6.817 12.955
209 H THR 28 H THR 28 -5.425 -8.841 6.785
210 HA THR 28 HA THR 28 -2.943 -9.793 7.326
211 HB THR 28 HB THR 28 -4.750 -9.780 5.190
212 HG1 THR 28 1HG THR 28 -3.348 -11.496 4.656
213 1HG2 THR 28 3HG2 THR 28 -2.041 -8.657 4.297
214 2HG2 THR 28 1HG2 THR 28 -3.275 -9.336 3.210
215 3HG2 THR 28 2HG2 THR 28 -3.611 -7.840 4.112
216 H LEU 29 H LEU 29 -3.705 -6.618 5.774
217 HA LEU 29 HA LEU 29 -0.942 -5.949 5.589
218 HB LEU 29 2HB LEU 29 -2.971 -3.811 5.487
219 HB LEU 29 QB LEU 29 -2.971 -3.811 5.487
220 HG LEU 29 HG LEU 29 -1.631 -2.909 3.958
221 1HD1 LEU 29 2HD1 LEU 29 0.008 -4.011 5.581
222 2HD1 LEU 29 3HD1 LEU 29 0.306 -5.198 4.288
223 3HD1 LEU 29 1HD1 LEU 29 0.645 -3.474 4.007
224 1HD2 LEU 29 3HD2 LEU 29 -1.791 -5.596 2.607
225 2HD2 LEU 29 1HD2 LEU 29 -2.489 -4.036 2.108
226 3HD2 LEU 29 2HD2 LEU 29 -0.733 -4.305 1.987
227 H LYS 30 H LYS 30 -3.471 -5.729 8.030
228 HA LYS 30 HA LYS 30 -2.506 -3.597 9.514
229 HB LYS 30 2HB LYS 30 -3.839 -6.084 10.616
230 HB LYS 30 QB LYS 30 -3.839 -6.084 10.616
231 HG LYS 30 2HG LYS 30 -2.972 -4.232 12.181
232 HG LYS 30 QG LYS 30 -2.972 -4.232 12.181
233 HD LYS 30 2HD LYS 30 -5.363 -2.609 11.385
234 HD LYS 30 QD LYS 30 -5.363 -2.609 11.385
235 HE LYS 30 2HE LYS 30 -2.843 -1.201 11.811
236 HE LYS 30 QE LYS 30 -2.843 -1.201 11.811
237 1HZ LYS 30 1HZ LYS 30 -5.414 -1.381 13.281
238 2HZ LYS 30 2HZ LYS 30 -4.221 -0.365 13.723
239 H GLN 31 H GLN 31 -1.594 -7.087 9.510
240 HA GLN 31 HA GLN 31 0.221 -6.731 11.643
241 HB GLN 31 2HB GLN 31 -0.726 -8.916 11.340
242 HB GLN 31 QB GLN 31 -0.726 -8.916 11.340
243 HG GLN 31 2HG GLN 31 0.299 -8.645 8.486
244 HG GLN 31 QG GLN 31 0.299 -8.645 8.486
245 1HE2 GLN 31 1HE2 GLN 31 -2.074 -10.885 8.824
246 2HE2 GLN 31 2HE2 GLN 31 -1.156 -12.354 8.854
247 H LYS 32 H LYS 32 0.377 -6.639 8.073
248 HA LYS 32 HA LYS 32 3.159 -6.787 7.836
249 HB LYS 32 2HB LYS 32 0.966 -5.677 6.082
250 HB LYS 32 QB LYS 32 0.966 -5.677 6.082
251 HG LYS 32 2HG LYS 32 3.042 -4.408 5.587
252 HG LYS 32 QG LYS 32 3.042 -4.408 5.587
253 HD LYS 32 2HD LYS 32 4.260 -7.198 5.325
254 HD LYS 32 QD LYS 32 4.260 -7.198 5.325
255 HE LYS 32 2HE LYS 32 4.898 -4.697 3.952
256 HE LYS 32 QE LYS 32 4.898 -4.697 3.952
257 1HZ LYS 32 1HZ LYS 32 6.890 -5.777 5.857
258 2HZ LYS 32 2HZ LYS 32 7.350 -4.964 4.524
259 H VAL 33 H VAL 33 1.147 -4.418 9.282
260 HA VAL 33 HA VAL 33 2.736 -2.147 8.608
261 HB VAL 33 HB VAL 33 0.797 -2.498 10.897
262 1HG1 VAL 33 1HG1 VAL 33 2.135 -0.455 10.995
263 2HG1 VAL 33 2HG1 VAL 33 1.677 -0.053 9.322
264 3HG1 VAL 33 3HG1 VAL 33 0.441 -0.074 10.602
265 1HG2 VAL 33 2HG2 VAL 33 0.325 -2.351 7.968
266 2HG2 VAL 33 3HG2 VAL 33 -0.673 -3.056 9.262
267 3HG2 VAL 33 1HG2 VAL 33 -0.692 -1.299 8.982
268 H THR 34 H THR 34 2.298 -4.163 11.602
269 HA THR 34 HA THR 34 4.235 -2.913 13.127
270 HB THR 34 HB THR 34 2.724 -4.440 14.184
271 HG1 THR 34 1HG THR 34 4.607 -5.006 15.225
272 1HG2 THR 34 3HG2 THR 34 3.670 -6.424 12.060
273 2HG2 THR 34 1HG2 THR 34 2.843 -6.944 13.548
274 3HG2 THR 34 2HG2 THR 34 2.002 -5.893 12.382
275 H GLN 35 H GLN 35 4.580 -5.437 10.606
276 HA GLN 35 HA GLN 35 7.217 -6.045 11.183
277 HB GLN 35 2HB GLN 35 7.268 -6.892 8.803
278 HB GLN 35 QB GLN 35 7.268 -6.892 8.803
279 HG GLN 35 2HG GLN 35 5.171 -7.565 10.827
280 HG GLN 35 QG GLN 35 5.171 -7.565 10.827
281 1HE2 GLN 35 2HE2 GLN 35 2.623 -8.738 8.826
282 2HE2 GLN 35 1HE2 GLN 35 3.188 -8.034 10.304
283 H SER 36 H SER 36 5.739 -3.580 8.992
284 HA SER 36 HA SER 36 8.276 -2.694 8.102
285 HB SER 36 2HB SER 36 5.966 -0.844 7.830
286 HB SER 36 QB SER 36 5.966 -0.844 7.830
287 HG SER 36 HG SER 36 7.924 -0.743 6.512
288 H LEU 37 H LEU 37 6.182 -2.083 10.845
289 HA LEU 37 HA LEU 37 6.702 0.515 11.483
290 HB LEU 37 2HB LEU 37 6.820 -1.068 13.857
291 HB LEU 37 QB LEU 37 6.820 -1.068 13.857
292 HG LEU 37 HG LEU 37 4.825 -0.080 14.456
293 1HD1 LEU 37 3HD1 LEU 37 6.720 1.537 13.250
294 2HD1 LEU 37 1HD1 LEU 37 5.186 2.092 12.540
295 3HD1 LEU 37 2HD1 LEU 37 5.393 2.070 14.308
296 1HD2 LEU 37 2HD2 LEU 37 4.102 -0.424 11.594
297 2HD2 LEU 37 3HD2 LEU 37 3.156 -0.730 13.070
298 3HD2 LEU 37 1HD2 LEU 37 3.345 0.932 12.464
299 H GLU 38 H GLU 38 8.854 -2.317 11.657
300 HA GLU 38 HA GLU 38 11.066 -0.563 11.887
301 HB GLU 38 2HB GLU 38 11.978 -1.696 13.980
302 HB GLU 38 QB GLU 38 11.978 -1.696 13.980
303 HG GLU 38 2HG GLU 38 9.349 -0.262 14.523
304 HG GLU 38 QG GLU 38 9.349 -0.262 14.523
305 HE2 GLU 38 HE GLU 38 9.478 0.808 16.389
306 H LYS 39 H LYS 39 11.275 -1.691 9.771
307 HA LYS 39 HA LYS 39 11.632 -4.502 9.719
308 HB LYS 39 2HB LYS 39 12.407 -2.385 7.689
309 HB LYS 39 QB LYS 39 12.407 -2.385 7.689
310 HG LYS 39 2HG LYS 39 13.272 -4.935 7.632
311 HG LYS 39 QG LYS 39 13.272 -4.935 7.632
312 HD LYS 39 2HD LYS 39 11.359 -5.870 5.882
313 HD LYS 39 QD LYS 39 11.359 -5.870 5.882
314 HE LYS 39 2HE LYS 39 11.362 -6.354 8.900
315 HE LYS 39 QE LYS 39 11.362 -6.354 8.900
316 1HZ LYS 39 1HZ LYS 39 10.831 -8.672 7.800
317 2HZ LYS 39 2HZ LYS 39 9.627 -7.616 8.090
318 H ASP 40 H ASP 40 13.877 -1.661 9.682
319 HA ASP 40 HA ASP 40 15.727 -2.677 11.310
320 HB ASP 40 2HB ASP 40 17.463 -3.261 9.272
321 HB ASP 40 QB ASP 40 17.463 -3.261 9.272
322 HD1 ASP 40 HD ASP 40 17.556 -4.085 11.636
323 H ASP 41 H ASP 41 16.882 -1.951 8.001
324 HA ASP 41 HA ASP 41 17.993 0.488 8.920
325 HB ASP 41 2HB ASP 41 17.839 -0.808 6.159
326 HB ASP 41 QB ASP 41 17.839 -0.808 6.159
327 HD2 ASP 41 HD ASP 41 18.991 0.083 4.607
328 H ILE 42 H ILE 42 16.981 0.699 5.616
329 HA ILE 42 HA ILE 42 14.441 1.951 6.207
330 HB ILE 42 HB ILE 42 16.909 3.447 5.536
331 HG1 ILE 42 2HG1 ILE 42 15.730 5.208 6.824
332 HG1 ILE 42 QG1 ILE 42 15.730 5.208 6.824
333 1HG2 ILE 42 2HG2 ILE 42 14.337 3.771 4.059
334 2HG2 ILE 42 3HG2 ILE 42 15.210 5.238 4.563
335 3HG2 ILE 42 1HG2 ILE 42 16.014 4.036 3.524
336 1HD1 ILE 42 3HD1 ILE 42 13.461 3.461 6.336
337 2HD1 ILE 42 1HD1 ILE 42 13.724 3.630 8.089
338 3HD1 ILE 42 2HD1 ILE 42 13.485 5.078 7.081
339 H ARG 43 H ARG 43 13.743 0.038 5.018
340 HA ARG 43 HA ARG 43 14.669 -0.212 2.341
341 HB ARG 43 2HB ARG 43 13.634 -1.994 4.141
342 HB ARG 43 QB ARG 43 13.634 -1.994 4.141
343 HG ARG 43 2HG ARG 43 11.398 -2.626 3.594
344 HG ARG 43 QG ARG 43 11.398 -2.626 3.594
345 HD ARG 43 2HD ARG 43 10.517 0.095 3.290
346 HD ARG 43 QD ARG 43 10.517 0.095 3.290
347 HE ARG 43 HE ARG 43 9.811 -1.874 4.938
348 1HH1 ARG 43 2HH2 ARG 43 11.466 1.138 5.803
349 2HH1 ARG 43 1HH2 ARG 43 10.819 1.176 7.410
350 HH2 ARG 43 1HH ARG 43 9.348 -0.575 8.125
351 H HIS 44 H HIS 44 12.352 -0.868 0.882
352 HA HIS 44 HA HIS 44 10.728 1.558 1.081
353 HB HIS 44 2HB HIS 44 10.690 1.538 -1.455
354 HB HIS 44 QB HIS 44 10.690 1.538 -1.455
355 HD1 HIS 44 1HD HIS 44 11.540 3.591 0.652
356 HD2 HIS 44 2HD HIS 44 14.204 1.846 -2.079
357 HE1 HIS 44 1HE HIS 44 13.517 5.193 0.459
358 H ILE 45 H ILE 45 8.565 1.324 0.000
359 HA ILE 45 HA ILE 45 7.689 -1.467 0.232
360 HB ILE 45 HB ILE 45 5.453 -0.473 0.678
361 HG1 ILE 45 2HG1 ILE 45 6.635 2.150 1.391
362 HG1 ILE 45 QG1 ILE 45 6.635 2.150 1.391
363 1HG2 ILE 45 3HG2 ILE 45 7.783 -0.538 2.407
364 2HG2 ILE 45 1HG2 ILE 45 6.601 0.678 2.946
365 3HG2 ILE 45 2HG2 ILE 45 6.101 -1.017 2.733
366 1HD1 ILE 45 3HD1 ILE 45 7.556 1.728 -0.914
367 2HD1 ILE 45 1HD1 ILE 45 5.894 1.443 -1.484
368 3HD1 ILE 45 2HD1 ILE 45 6.361 3.047 -0.871
369 H VAL 46 H VAL 46 5.853 -2.091 -1.245
370 HA VAL 46 HA VAL 46 5.531 -0.508 -3.612
371 HB VAL 46 HB VAL 46 7.397 -2.810 -3.499
372 1HG1 VAL 46 3HG1 VAL 46 5.462 -3.704 -4.795
373 2HG1 VAL 46 1HG1 VAL 46 5.644 -2.348 -5.934
374 3HG1 VAL 46 2HG1 VAL 46 6.949 -3.545 -5.759
375 1HG2 VAL 46 1HG2 VAL 46 7.835 -0.267 -3.997
376 2HG2 VAL 46 2HG2 VAL 46 8.701 -1.524 -4.912
377 3HG2 VAL 46 3HG2 VAL 46 7.300 -0.701 -5.638
378 H LEU 47 H LEU 47 3.339 -0.595 -2.794
379 HA LEU 47 HA LEU 47 2.123 -3.202 -2.577
380 HB LEU 47 2HB LEU 47 0.081 -1.841 -2.090
381 HB LEU 47 QB LEU 47 0.081 -1.841 -2.090
382 HG LEU 47 HG LEU 47 0.926 -0.742 0.029
383 1HD1 LEU 47 3HD1 LEU 47 0.558 -3.448 -0.637
384 2HD1 LEU 47 1HD1 LEU 47 2.005 -3.391 0.398
385 3HD1 LEU 47 2HD1 LEU 47 0.471 -2.696 0.975
386 1HD2 LEU 47 1HD2 LEU 47 3.219 -0.281 -0.862
387 2HD2 LEU 47 2HD2 LEU 47 3.185 -1.064 0.736
388 3HD2 LEU 47 3HD2 LEU 47 3.567 -2.020 -0.715
389 H ASN 48 H ASN 48 0.281 -3.882 -3.890
390 HA ASN 48 HA ASN 48 -0.564 -2.503 -6.106
391 HB ASN 48 2HB ASN 48 1.576 -2.764 -7.180
392 HB ASN 48 QB ASN 48 1.576 -2.764 -7.180
393 1HD2 ASN 48 2HD2 ASN 48 3.659 -5.741 -7.195
394 2HD2 ASN 48 1HD2 ASN 48 2.986 -4.568 -8.279
395 H LEU 49 H LEU 49 -2.612 -3.447 -6.094
396 HA LEU 49 HA LEU 49 -2.729 -6.353 -5.690
397 HB LEU 49 2HB LEU 49 -3.874 -4.408 -4.178
398 HB LEU 49 QB LEU 49 -3.874 -4.408 -4.178
399 HG LEU 49 HG LEU 49 -5.766 -4.977 -6.379
400 1HD1 LEU 49 1HD1 LEU 49 -6.396 -5.698 -3.574
401 2HD1 LEU 49 2HD1 LEU 49 -7.609 -4.714 -4.427
402 3HD1 LEU 49 3HD1 LEU 49 -7.096 -6.279 -5.103
403 1HD2 LEU 49 3HD2 LEU 49 -4.794 -2.723 -5.420
404 2HD2 LEU 49 1HD2 LEU 49 -6.466 -2.824 -6.024
405 3HD2 LEU 49 2HD2 LEU 49 -6.146 -2.884 -4.274
406 H GLU 50 H GLU 50 -3.361 -7.583 -7.383
407 HA GLU 50 HA GLU 50 -4.340 -6.144 -9.695
408 HB GLU 50 2HB GLU 50 -3.921 -9.006 -10.101
409 HB GLU 50 QB GLU 50 -3.921 -9.006 -10.101
410 HG GLU 50 2HG GLU 50 -3.643 -6.654 -11.547
411 HG GLU 50 QG GLU 50 -3.643 -6.654 -11.547
412 HE2 GLU 50 HE GLU 50 -0.999 -7.905 -12.735
413 H ASP 51 H ASP 51 -5.382 -8.253 -7.111
414 HA ASP 51 HA ASP 51 -7.773 -8.937 -8.607
415 HB ASP 51 2HB ASP 51 -6.580 -9.955 -5.993
416 HB ASP 51 QB ASP 51 -6.580 -9.955 -5.993
417 HD1 ASP 51 HD ASP 51 -10.412 -10.600 -6.588
418 H LEU 52 H LEU 52 -8.086 -6.378 -8.228
419 HA LEU 52 HA LEU 52 -8.922 -5.717 -5.549
420 HB LEU 52 2HB LEU 52 -8.861 -4.158 -8.134
421 HB LEU 52 QB LEU 52 -8.861 -4.158 -8.134
422 HG LEU 52 HG LEU 52 -9.141 -2.136 -6.871
423 1HD1 LEU 52 1HD1 LEU 52 -11.165 -3.604 -7.628
424 2HD1 LEU 52 2HD1 LEU 52 -11.433 -3.801 -5.879
425 3HD1 LEU 52 3HD1 LEU 52 -11.431 -2.173 -6.602
426 1HD2 LEU 52 2HD2 LEU 52 -8.070 -2.824 -4.790
427 2HD2 LEU 52 3HD2 LEU 52 -9.670 -2.110 -4.479
428 3HD2 LEU 52 1HD2 LEU 52 -9.454 -3.875 -4.407
429 H SER 53 H SER 53 -10.831 -6.514 -4.836
430 HA SER 53 HA SER 53 -12.985 -6.604 -6.795
431 HB SER 53 2HB SER 53 -12.200 -8.342 -4.497
432 HB SER 53 QB SER 53 -12.200 -8.342 -4.497
433 HG SER 53 HG SER 53 -14.969 -8.183 -5.296
434 H PHE 54 H PHE 54 -13.247 -6.749 -3.213
435 HA PHE 54 HA PHE 54 -15.269 -4.777 -3.214
436 HB PHE 54 2HB PHE 54 -13.514 -6.079 -1.048
437 HB PHE 54 QB PHE 54 -13.514 -6.079 -1.048
438 HD1 PHE 54 2HD PHE 54 -16.944 -4.650 -1.502
439 HD2 PHE 54 1HD PHE 54 -13.580 -5.130 1.041
440 HE1 PHE 54 2HE PHE 54 -18.100 -3.314 0.281
441 HE2 PHE 54 1HE PHE 54 -14.737 -3.795 2.823
442 HZ PHE 54 HZ PHE 54 -16.983 -2.902 2.421
443 H MET 55 H MET 55 -12.318 -4.715 -1.124
444 HA MET 55 HA MET 55 -11.184 -3.011 -0.349
445 HB MET 55 2HB MET 55 -11.249 -2.364 -3.346
446 HB MET 55 QB MET 55 -11.249 -2.364 -3.346
447 HG MET 55 2HG MET 55 -10.535 -0.358 -2.012
448 HG MET 55 QG MET 55 -10.535 -0.358 -2.012
449 1HE MET 55 3HE MET 55 -10.945 -0.661 0.233
450 2HE MET 55 1HE MET 55 -10.563 -2.311 0.781
451 3HE MET 55 2HE MET 55 -9.718 -0.918 1.497
452 H ASP 56 H ASP 56 -12.799 -1.968 0.951
453 HA ASP 56 HA ASP 56 -14.031 0.321 -0.362
454 HB ASP 56 2HB ASP 56 -14.863 -0.711 2.359
455 HB ASP 56 QB ASP 56 -14.863 -0.711 2.359
456 HD2 ASP 56 HD ASP 56 -17.167 1.668 2.083
457 H SER 57 H SER 57 -14.718 1.235 2.545
458 HA SER 57 HA SER 57 -12.196 2.576 2.953
459 HB SER 57 2HB SER 57 -13.827 4.206 3.055
460 HB SER 57 QB SER 57 -13.827 4.206 3.055
461 HG SER 57 HG SER 57 -15.529 2.144 4.139
462 H SER 58 H SER 58 -12.614 -0.324 3.638
463 HA SER 58 HA SER 58 -12.695 -0.265 6.515
464 HB SER 58 2HB SER 58 -13.342 -2.436 6.349
465 HB SER 58 QB SER 58 -13.342 -2.436 6.349
466 HG SER 58 HG SER 58 -13.178 -2.244 3.482
467 H GLY 59 H GLY 59 -10.472 -1.413 3.868
468 1HA GLY 59 1HA GLY 59 -8.269 -1.658 5.740
469 2HA GLY 59 2HA GLY 59 -8.275 -2.041 4.031
470 H LEU 60 H LEU 60 -9.758 0.896 4.033
471 HA LEU 60 HA LEU 60 -7.685 2.263 2.877
472 HB LEU 60 2HB LEU 60 -9.537 3.996 4.305
473 HB LEU 60 QB LEU 60 -9.537 3.996 4.305
474 HG LEU 60 HG LEU 60 -10.358 4.391 1.898
475 1HD1 LEU 60 1HD1 LEU 60 -7.616 5.088 2.931
476 2HD1 LEU 60 2HD1 LEU 60 -8.205 5.701 1.367
477 3HD1 LEU 60 3HD1 LEU 60 -9.086 6.089 2.865
478 1HD2 LEU 60 3HD2 LEU 60 -9.256 2.177 1.144
479 2HD2 LEU 60 1HD2 LEU 60 -9.143 3.600 0.081
480 3HD2 LEU 60 2HD2 LEU 60 -7.751 3.126 1.084
481 H GLY 61 H GLY 61 -8.675 2.105 6.337
482 1HA GLY 61 1HA GLY 61 -6.666 3.993 7.163
483 2HA GLY 61 2HA GLY 61 -7.716 3.024 8.180
484 H VAL 62 H VAL 62 -7.014 0.431 6.887
485 HA VAL 62 HA VAL 62 -4.799 -0.198 8.505
486 HB VAL 62 HB VAL 62 -6.843 -1.532 7.183
487 1HG1 VAL 62 2HG1 VAL 62 -4.160 -2.336 6.014
488 2HG1 VAL 62 3HG1 VAL 62 -5.628 -3.340 5.942
489 3HG1 VAL 62 1HG1 VAL 62 -5.594 -1.753 5.137
490 1HG2 VAL 62 2HG2 VAL 62 -5.641 -1.965 9.411
491 2HG2 VAL 62 3HG2 VAL 62 -6.210 -3.383 8.496
492 3HG2 VAL 62 1HG2 VAL 62 -4.488 -2.932 8.461
493 H ILE 63 H ILE 63 -5.156 1.048 5.245
494 HA ILE 63 HA ILE 63 -2.414 0.290 4.600
495 HB ILE 63 HB ILE 63 -4.796 1.205 3.050
496 HG1 ILE 63 2HG1 ILE 63 -3.466 -1.236 3.473
497 HG1 ILE 63 QG1 ILE 63 -3.466 -1.236 3.473
498 1HG2 ILE 63 2HG2 ILE 63 -1.923 1.706 2.321
499 2HG2 ILE 63 3HG2 ILE 63 -3.136 1.366 1.062
500 3HG2 ILE 63 1HG2 ILE 63 -3.343 2.765 2.144
501 1HD1 ILE 63 1HD1 ILE 63 -5.684 -0.166 1.751
502 2HD1 ILE 63 2HD1 ILE 63 -5.060 -1.790 1.375
503 3HD1 ILE 63 3HD1 ILE 63 -5.725 -1.444 2.990
504 H LEU 64 H LEU 64 -4.478 3.034 5.510
505 HA LEU 64 HA LEU 64 -2.543 5.002 4.807
506 HB LEU 64 2HB LEU 64 -4.978 5.143 6.590
507 HB LEU 64 QB LEU 64 -4.978 5.143 6.590
508 HG LEU 64 HG LEU 64 -3.887 7.144 7.073
509 1HD1 LEU 64 3HD1 LEU 64 -2.011 6.804 5.484
510 2HD1 LEU 64 1HD1 LEU 64 -3.046 7.425 4.175
511 3HD1 LEU 64 2HD1 LEU 64 -2.600 8.483 5.537
512 1HD2 LEU 64 2HD2 LEU 64 -6.021 7.252 5.088
513 2HD2 LEU 64 3HD2 LEU 64 -5.800 8.180 6.591
514 3HD2 LEU 64 1HD2 LEU 64 -5.012 8.718 5.088
515 H GLY 65 H GLY 65 -3.146 2.868 7.549
516 1HA GLY 65 1HA GLY 65 -1.699 4.380 9.483
517 2HA GLY 65 2HA GLY 65 -2.178 2.697 9.582
518 H ARG 66 H ARG 66 -0.765 2.506 6.708
519 HA ARG 66 HA ARG 66 1.743 1.765 7.895
520 HB ARG 66 2HB ARG 66 1.640 1.313 5.023
521 HB ARG 66 QB ARG 66 1.640 1.313 5.023
522 HG ARG 66 2HG ARG 66 1.360 -0.583 7.404
523 HG ARG 66 QG ARG 66 1.360 -0.583 7.404
524 HD ARG 66 2HD ARG 66 1.812 -2.370 5.940
525 HD ARG 66 QD ARG 66 1.812 -2.370 5.940
526 HE ARG 66 HE ARG 66 -0.360 -1.796 5.135
527 1HH1 ARG 66 2HH2 ARG 66 2.162 0.006 3.419
528 2HH1 ARG 66 1HH2 ARG 66 1.104 0.516 2.145
529 HH2 ARG 66 1HH ARG 66 -1.195 -0.159 2.188
530 H TYR 67 H TYR 67 0.326 4.085 5.571
531 HA TYR 67 HA TYR 67 2.679 4.969 4.370
532 HB TYR 67 2HB TYR 67 0.407 6.844 5.098
533 HB TYR 67 QB TYR 67 0.407 6.844 5.098
534 HD1 TYR 67 1HD TYR 67 2.007 8.492 4.071
535 HD2 TYR 67 2HD TYR 67 0.406 5.194 1.866
536 HE1 TYR 67 1HE TYR 67 2.655 9.627 1.890
537 HE2 TYR 67 2HE TYR 67 1.059 6.340 -0.308
538 HH TYR 67 HH TYR 67 3.173 8.409 -0.687
539 H LYS 68 H LYS 68 0.914 6.158 7.305
540 HA LYS 68 HA LYS 68 2.880 8.177 7.777
541 HB LYS 68 2HB LYS 68 1.499 8.890 9.484
542 HB LYS 68 QB LYS 68 1.499 8.890 9.484
543 HG LYS 68 2HG LYS 68 -0.778 7.395 8.349
544 HG LYS 68 QG LYS 68 -0.778 7.395 8.349
545 HD LYS 68 2HD LYS 68 -1.543 9.668 7.788
546 HD LYS 68 QD LYS 68 -1.543 9.668 7.788
547 HE LYS 68 2HE LYS 68 -0.949 8.774 10.391
548 HE LYS 68 QE LYS 68 -0.949 8.774 10.391
549 1HZ LYS 68 1HZ LYS 68 0.600 11.063 9.858
550 2HZ LYS 68 2HZ LYS 68 -0.577 11.498 10.898
551 H GLN 69 H GLN 69 2.921 4.827 8.043
552 HA GLN 69 HA GLN 69 4.519 4.880 10.457
553 HB GLN 69 2HB GLN 69 3.043 2.767 8.917
554 HB GLN 69 QB GLN 69 3.043 2.767 8.917
555 HG GLN 69 2HG GLN 69 4.538 1.352 10.822
556 HG GLN 69 QG GLN 69 4.538 1.352 10.822
557 1HE2 GLN 69 2HE2 GLN 69 4.057 -0.758 8.091
558 2HE2 GLN 69 1HE2 GLN 69 3.572 -0.261 9.677
559 H ILE 70 H ILE 70 4.659 3.784 7.001
560 HA ILE 70 HA ILE 70 7.354 3.016 7.103
561 HB ILE 70 HB ILE 70 5.593 2.351 5.434
562 HG1 ILE 70 2HG1 ILE 70 8.396 3.160 4.736
563 HG1 ILE 70 QG1 ILE 70 8.396 3.160 4.736
564 1HG2 ILE 70 3HG2 ILE 70 6.179 5.127 4.394
565 2HG2 ILE 70 1HG2 ILE 70 5.499 3.832 3.379
566 3HG2 ILE 70 2HG2 ILE 70 4.606 4.405 4.808
567 1HD1 ILE 70 2HD1 ILE 70 6.817 0.580 5.071
568 2HD1 ILE 70 3HD1 ILE 70 8.429 0.614 4.316
569 3HD1 ILE 70 1HD1 ILE 70 8.227 1.136 6.006
570 H LYS 71 H LYS 71 5.700 6.133 6.657
571 HA LYS 71 HA LYS 71 8.014 7.467 5.673
572 HB LYS 71 2HB LYS 71 6.330 9.411 6.688
573 HB LYS 71 QB LYS 71 6.330 9.411 6.688
574 HG LYS 71 2HG LYS 71 6.069 7.987 3.998
575 HG LYS 71 QG LYS 71 6.069 7.987 3.998
576 HD LYS 71 2HD LYS 71 4.714 10.231 5.102
577 HD LYS 71 QD LYS 71 4.714 10.231 5.102
578 HE LYS 71 2HE LYS 71 5.664 11.700 2.947
579 HE LYS 71 QE LYS 71 5.664 11.700 2.947
580 1HZ LYS 71 1HZ LYS 71 5.244 12.299 5.409
581 2HZ LYS 71 2HZ LYS 71 6.831 12.018 5.639
582 H GLN 72 H GLN 72 6.738 6.557 8.835
583 HA GLN 72 HA GLN 72 8.288 8.476 10.230
584 HB GLN 72 2HB GLN 72 6.115 6.881 10.852
585 HB GLN 72 QB GLN 72 6.115 6.881 10.852
586 HG GLN 72 2HG GLN 72 8.579 5.823 12.316
587 HG GLN 72 QG GLN 72 8.579 5.823 12.316
588 1HE2 GLN 72 2HE2 GLN 72 6.691 4.364 14.892
589 2HE2 GLN 72 1HE2 GLN 72 8.156 4.333 13.968
590 H ILE 73 H ILE 73 8.931 5.463 8.674
591 HA ILE 73 HA ILE 73 11.060 4.685 10.442
592 HB ILE 73 HB ILE 73 10.630 3.593 7.687
593 HG1 ILE 73 2HG1 ILE 73 8.911 2.061 8.609
594 HG1 ILE 73 QG1 ILE 73 8.911 2.061 8.609
595 1HG2 ILE 73 1HG2 ILE 73 12.062 2.841 10.109
596 2HG2 ILE 73 2HG2 ILE 73 11.002 1.540 9.517
597 3HG2 ILE 73 3HG2 ILE 73 12.233 2.244 8.441
598 1HD1 ILE 73 1HD1 ILE 73 9.176 3.937 10.988
599 2HD1 ILE 73 2HD1 ILE 73 7.680 3.025 10.672
600 3HD1 ILE 73 3HD1 ILE 73 9.205 2.157 10.979
601 H GLY 74 H GLY 74 10.607 6.535 7.430
602 1HA GLY 74 1HA GLY 74 12.309 8.283 7.136
603 2HA GLY 74 2HA GLY 74 13.523 7.050 7.416
604 H GLY 75 H GLY 75 10.653 6.011 5.689
605 1HA GLY 75 1HA GLY 75 12.175 6.121 3.152
606 2HA GLY 75 2HA GLY 75 11.170 4.771 3.641
607 H GLU 76 H GLU 76 9.485 4.764 2.183
608 HA GLU 76 HA GLU 76 7.674 6.959 2.365
609 HB GLU 76 2HB GLU 76 7.931 7.907 0.309
610 HB GLU 76 QB GLU 76 7.931 7.907 0.309
611 HG GLU 76 2HG GLU 76 10.298 7.203 -0.753
612 HG GLU 76 QG GLU 76 10.298 7.203 -0.753
613 HE1 GLU 76 HE GLU 76 9.526 10.203 0.401
614 H MET 77 H MET 77 5.535 6.416 1.430
615 HA MET 77 HA MET 77 5.292 3.524 1.134
616 HB MET 77 2HB MET 77 2.852 5.140 1.746
617 HB MET 77 QB MET 77 2.852 5.140 1.746
618 HG MET 77 2HG MET 77 3.517 3.195 3.763
619 HG MET 77 QG MET 77 3.517 3.195 3.763
620 1HE MET 77 1HE MET 77 2.289 2.497 0.180
621 2HE MET 77 2HE MET 77 0.546 2.854 0.250
622 3HE MET 77 3HE MET 77 1.731 4.180 0.343
623 H VAL 78 H VAL 78 4.482 2.719 -0.771
624 HA VAL 78 HA VAL 78 3.102 4.633 -2.519
625 HB VAL 78 HB VAL 78 5.300 2.671 -3.158
626 1HG1 VAL 78 3HG1 VAL 78 3.047 3.539 -4.840
627 2HG1 VAL 78 1HG1 VAL 78 4.645 3.829 -5.568
628 3HG1 VAL 78 2HG1 VAL 78 4.187 2.189 -5.053
629 1HG2 VAL 78 3HG2 VAL 78 4.958 5.655 -3.294
630 2HG2 VAL 78 1HG2 VAL 78 6.312 4.693 -2.654
631 3HG2 VAL 78 2HG2 VAL 78 6.078 4.841 -4.413
632 H VAL 79 H VAL 79 1.420 3.736 -3.838
633 HA VAL 79 HA VAL 79 0.825 0.938 -3.564
634 HB VAL 79 HB VAL 79 -0.060 1.791 -1.475
635 1HG1 VAL 79 3HG1 VAL 79 -1.110 3.942 -3.227
636 2HG1 VAL 79 1HG1 VAL 79 -2.211 3.376 -1.950
637 3HG1 VAL 79 2HG1 VAL 79 -0.597 3.992 -1.523
638 1HG2 VAL 79 1HG2 VAL 79 -2.115 1.049 -3.572
639 2HG2 VAL 79 2HG2 VAL 79 -1.312 -0.009 -2.388
640 3HG2 VAL 79 3HG2 VAL 79 -2.506 1.194 -1.841
641 H CYS 80 H CYS 80 -0.295 0.211 -5.352
642 HA CYS 80 HA CYS 80 -1.567 2.246 -7.003
643 HB CYS 80 2HB CYS 80 0.795 1.839 -7.819
644 HB CYS 80 QB CYS 80 0.795 1.839 -7.819
645 HG CYS 80 HG CYS 80 1.275 -0.271 -9.372
646 H ALA 81 H ALA 81 -2.354 0.550 -9.113
647 HA ALA 81 HA ALA 81 -3.706 -1.115 -9.693
648 1HB ALA 81 3HB ALA 81 -2.211 -2.238 -7.562
649 2HB ALA 81 1HB ALA 81 -3.911 -2.660 -7.251
650 3HB ALA 81 2HB ALA 81 -3.154 -3.102 -8.800
651 H ILE 82 H ILE 82 -4.631 1.381 -8.687
652 HA ILE 82 HA ILE 82 -6.627 1.028 -6.731
653 HB ILE 82 HB ILE 82 -5.412 3.147 -7.577
654 HG1 ILE 82 2HG1 ILE 82 -8.380 3.198 -6.958
655 HG1 ILE 82 QG1 ILE 82 -8.380 3.198 -6.958
656 1HG2 ILE 82 3HG2 ILE 82 -6.867 2.533 -9.901
657 2HG2 ILE 82 1HG2 ILE 82 -7.664 3.956 -9.188
658 3HG2 ILE 82 2HG2 ILE 82 -5.923 4.003 -9.558
659 1HD1 ILE 82 1HD1 ILE 82 -6.041 2.399 -5.407
660 2HD1 ILE 82 2HD1 ILE 82 -6.799 3.847 -4.704
661 3HD1 ILE 82 3HD1 ILE 82 -7.760 2.369 -4.945
662 H SER 83 H SER 83 -8.692 2.513 -8.474
663 HA SER 83 HA SER 83 -9.458 0.845 -10.529
664 HB SER 83 2HB SER 83 -11.517 0.263 -8.539
665 HB SER 83 QB SER 83 -11.517 0.263 -8.539
666 HG SER 83 HG SER 83 -10.740 -1.997 -9.240
667 HA PRO 84 HA PRO 84 -12.312 4.111 -10.885
668 HB PRO 84 2HB PRO 84 -12.835 3.574 -13.061
669 HB PRO 84 QB PRO 84 -12.835 3.574 -13.061
670 HG PRO 84 2HG PRO 84 -12.501 1.360 -13.613
671 HG PRO 84 QG PRO 84 -12.501 1.360 -13.613
672 HD PRO 84 2HD PRO 84 -10.922 0.782 -12.045
673 HD PRO 84 QD PRO 84 -10.922 0.782 -12.045
674 H ALA 85 H ALA 85 -13.306 1.284 -9.289
675 HA ALA 85 HA ALA 85 -15.454 2.854 -8.033
676 1HB ALA 85 2HB ALA 85 -15.266 -0.117 -8.655
677 2HB ALA 85 3HB ALA 85 -16.510 0.599 -7.603
678 3HB ALA 85 1HB ALA 85 -16.426 1.057 -9.321
679 H VAL 86 H VAL 86 -12.561 2.825 -7.379
680 HA VAL 86 HA VAL 86 -12.874 1.996 -4.616
681 HB VAL 86 HB VAL 86 -11.299 0.565 -6.579
682 1HG1 VAL 86 3HG1 VAL 86 -9.826 1.782 -4.226
683 2HG1 VAL 86 1HG1 VAL 86 -9.262 0.331 -5.091
684 3HG1 VAL 86 2HG1 VAL 86 -9.410 1.881 -5.955
685 1HG2 VAL 86 1HG2 VAL 86 -12.897 -0.322 -4.812
686 2HG2 VAL 86 2HG2 VAL 86 -11.334 -1.162 -4.947
687 3HG2 VAL 86 3HG2 VAL 86 -11.613 -0.007 -3.621
688 H LYS 87 H LYS 87 -11.136 3.694 -7.239
689 HA LYS 87 HA LYS 87 -9.389 5.113 -5.549
690 HB LYS 87 2HB LYS 87 -10.368 5.563 -8.375
691 HB LYS 87 QB LYS 87 -10.368 5.563 -8.375
692 HG LYS 87 2HG LYS 87 -7.954 6.928 -7.163
693 HG LYS 87 QG LYS 87 -7.954 6.928 -7.163
694 HD LYS 87 2HD LYS 87 -8.577 6.786 -9.708
695 HD LYS 87 QD LYS 87 -8.577 6.786 -9.708
696 HE LYS 87 2HE LYS 87 -10.155 9.254 -9.418
697 HE LYS 87 QE LYS 87 -10.155 9.254 -9.418
698 1HZ LYS 87 1HZ LYS 87 -10.254 6.760 -10.974
699 2HZ LYS 87 2HZ LYS 87 -11.578 7.707 -10.942
700 H ARG 88 H ARG 88 -12.802 5.310 -6.140
701 HA ARG 88 HA ARG 88 -13.128 8.039 -5.783
702 HB ARG 88 2HB ARG 88 -14.816 6.167 -6.563
703 HB ARG 88 QB ARG 88 -14.816 6.167 -6.563
704 HG ARG 88 2HG ARG 88 -16.442 5.642 -4.661
705 HG ARG 88 QG ARG 88 -16.442 5.642 -4.661
706 HD ARG 88 2HD ARG 88 -13.887 4.354 -3.816
707 HD ARG 88 QD ARG 88 -13.887 4.354 -3.816
708 HE ARG 88 HE ARG 88 -15.863 2.656 -4.993
709 1HH1 ARG 88 2HH2 ARG 88 -15.491 4.830 -2.220
710 2HH1 ARG 88 1HH2 ARG 88 -16.648 3.987 -1.246
711 HH2 ARG 88 1HH ARG 88 -17.753 2.057 -2.141
712 H LEU 89 H LEU 89 -12.331 5.433 -3.590
713 HA LEU 89 HA LEU 89 -13.434 6.500 -1.231
714 HB LEU 89 2HB LEU 89 -11.342 5.022 -0.368
715 HB LEU 89 QB LEU 89 -11.342 5.022 -0.368
716 HG LEU 89 HG LEU 89 -14.128 4.479 -0.895
717 1HD1 LEU 89 2HD1 LEU 89 -12.710 2.817 -2.463
718 2HD1 LEU 89 3HD1 LEU 89 -12.669 1.895 -0.942
719 3HD1 LEU 89 1HD1 LEU 89 -14.230 2.356 -1.663
720 1HD2 LEU 89 1HD2 LEU 89 -12.888 4.676 1.308
721 2HD2 LEU 89 2HD2 LEU 89 -14.024 3.313 1.158
722 3HD2 LEU 89 3HD2 LEU 89 -12.274 3.034 1.004
723 H PHE 90 H PHE 90 -10.196 6.795 -2.813
724 HA PHE 90 HA PHE 90 -9.331 8.614 -0.755
725 HB PHE 90 2HB PHE 90 -7.243 8.548 -2.116
726 HB PHE 90 QB PHE 90 -7.243 8.548 -2.116
727 HD1 PHE 90 2HD PHE 90 -8.750 5.531 -3.521
728 HD2 PHE 90 1HD PHE 90 -6.637 7.153 -0.219
729 HE1 PHE 90 2HE PHE 90 -8.201 3.211 -2.733
730 HE2 PHE 90 1HE PHE 90 -6.088 4.834 0.570
731 HZ PHE 90 HZ PHE 90 -6.876 2.890 -0.697
732 H ASP 91 H ASP 91 -10.893 8.739 -3.903
733 HA ASP 91 HA ASP 91 -9.997 11.282 -4.626
734 HB ASP 91 2HB ASP 91 -12.720 10.629 -5.532
735 HB ASP 91 QB ASP 91 -12.720 10.629 -5.532
736 HD2 ASP 91 HD ASP 91 -11.519 11.271 -8.750
737 H MET 92 H MET 92 -12.666 9.973 -2.624
738 HA MET 92 HA MET 92 -13.861 12.582 -2.386
739 HB MET 92 2HB MET 92 -14.537 9.840 -1.183
740 HB MET 92 QB MET 92 -14.537 9.840 -1.183
741 HG MET 92 2HG MET 92 -15.706 12.566 -0.770
742 HG MET 92 QG MET 92 -15.706 12.566 -0.770
743 1HE MET 92 1HE MET 92 -17.261 9.697 0.668
744 2HE MET 92 2HE MET 92 -18.863 9.507 -0.083
745 3HE MET 92 3HE MET 92 -17.436 8.741 -0.823
746 H SER 93 H SER 93 -11.666 10.424 -0.664
747 HA SER 93 HA SER 93 -12.080 11.450 1.891
748 HB SER 93 2HB SER 93 -9.326 10.604 1.463
749 HB SER 93 QB SER 93 -9.326 10.604 1.463
750 HG SER 93 HG SER 93 -9.947 9.815 3.353
751 H GLY 94 H GLY 94 -9.859 12.331 -0.815
752 1HA GLY 94 1HA GLY 94 -8.941 14.361 -1.273
753 2HA GLY 94 2HA GLY 94 -9.623 15.017 0.203
754 H LEU 95 H LEU 95 -8.013 12.033 0.806
755 HA LEU 95 HA LEU 95 -5.644 13.521 1.703
756 HB LEU 95 2HB LEU 95 -6.528 10.912 2.881
757 HB LEU 95 QB LEU 95 -6.528 10.912 2.881
758 HG LEU 95 HG LEU 95 -4.508 11.519 3.861
759 1HD1 LEU 95 1HD1 LEU 95 -5.464 14.371 3.643
760 2HD1 LEU 95 2HD1 LEU 95 -4.098 13.909 4.685
761 3HD1 LEU 95 3HD1 LEU 95 -4.018 13.614 2.932
762 1HD2 LEU 95 3HD2 LEU 95 -6.620 11.318 5.427
763 2HD2 LEU 95 1HD2 LEU 95 -5.021 11.746 6.081
764 3HD2 LEU 95 2HD2 LEU 95 -6.234 13.017 5.791
765 H PHE 96 H PHE 96 -6.578 11.916 -0.898
766 HA PHE 96 HA PHE 96 -5.134 9.642 -1.191
767 HB PHE 96 2HB PHE 96 -4.914 11.573 -3.455
768 HB PHE 96 QB PHE 96 -4.914 11.573 -3.455
769 HD1 PHE 96 1HD PHE 96 -4.615 8.478 -2.581
770 HD2 PHE 96 2HD PHE 96 -7.344 10.715 -4.938
771 HE1 PHE 96 1HE PHE 96 -5.164 6.415 -3.902
772 HE2 PHE 96 2HE PHE 96 -7.895 8.652 -6.259
773 HZ PHE 96 HZ PHE 96 -6.797 6.528 -5.725
774 H LYS 97 H LYS 97 -3.953 13.012 -1.128
775 HA LYS 97 HA LYS 97 -1.436 12.525 -2.244
776 HB LYS 97 2HB LYS 97 -0.869 14.691 -1.474
777 HB LYS 97 QB LYS 97 -0.869 14.691 -1.474
778 HG LYS 97 2HG LYS 97 -3.667 15.457 -1.506
779 HG LYS 97 QG LYS 97 -3.667 15.457 -1.506
780 HD LYS 97 2HD LYS 97 -1.904 15.412 -3.958
781 HD LYS 97 QD LYS 97 -1.904 15.412 -3.958
782 HE LYS 97 2HE LYS 97 -3.648 17.556 -2.652
783 HE LYS 97 QE LYS 97 -3.648 17.556 -2.652
784 1HZ LYS 97 1HZ LYS 97 -2.976 17.756 -5.441
785 2HZ LYS 97 2HZ LYS 97 -2.910 18.905 -4.289
786 H ILE 98 H ILE 98 -2.852 11.734 0.867
787 HA ILE 98 HA ILE 98 -0.278 11.402 2.126
788 HB ILE 98 HB ILE 98 -2.835 11.946 3.007
789 HG1 ILE 98 2HG1 ILE 98 -1.661 12.624 4.773
790 HG1 ILE 98 QG1 ILE 98 -1.661 12.624 4.773
791 1HG2 ILE 98 3HG2 ILE 98 -2.123 9.092 3.729
792 2HG2 ILE 98 1HG2 ILE 98 -3.337 10.077 4.580
793 3HG2 ILE 98 2HG2 ILE 98 -3.569 9.666 2.864
794 1HD1 ILE 98 3HD1 ILE 98 -0.730 9.730 5.020
795 2HD1 ILE 98 1HD1 ILE 98 -0.282 11.014 6.169
796 3HD1 ILE 98 2HD1 ILE 98 -1.988 10.541 5.982
797 H ILE 99 H ILE 99 -2.161 9.696 -0.120
798 HA ILE 99 HA ILE 99 -0.967 7.163 0.771
799 HB ILE 99 HB ILE 99 -3.574 7.736 -0.624
800 HG1 ILE 99 2HG1 ILE 99 -4.600 6.703 1.249
801 HG1 ILE 99 QG1 ILE 99 -4.600 6.703 1.249
802 1HG2 ILE 99 3HG2 ILE 99 -2.396 5.890 -1.778
803 2HG2 ILE 99 1HG2 ILE 99 -2.289 5.021 -0.228
804 3HG2 ILE 99 2HG2 ILE 99 -3.881 5.363 -0.949
805 1HD1 ILE 99 3HD1 ILE 99 -1.775 6.012 2.184
806 2HD1 ILE 99 1HD1 ILE 99 -3.264 5.753 3.126
807 3HD1 ILE 99 2HD1 ILE 99 -3.000 4.853 1.613
808 H ARG 100 H ARG 100 -0.941 9.714 -1.515
809 HA ARG 100 HA ARG 100 -0.329 9.828 -3.641
810 HB ARG 100 2HB ARG 100 2.074 8.274 -2.563
811 HB ARG 100 QB ARG 100 2.074 8.274 -2.563
812 HG ARG 100 2HG ARG 100 2.542 10.721 -4.120
813 HG ARG 100 QG ARG 100 2.542 10.721 -4.120
814 HD ARG 100 2HD ARG 100 3.482 8.310 -5.397
815 HD ARG 100 QD ARG 100 3.482 8.310 -5.397
816 HE ARG 100 HE ARG 100 5.436 9.681 -3.805
817 1HH1 ARG 100 2HH2 ARG 100 3.204 10.281 -6.490
818 2HH1 ARG 100 1HH2 ARG 100 4.165 11.554 -7.167
819 HH2 ARG 100 1HH ARG 100 6.219 12.171 -6.096
820 H PHE 101 H PHE 101 -1.895 8.366 -4.669
821 HA PHE 101 HA PHE 101 -0.851 5.687 -5.209
822 HB PHE 101 2HB PHE 101 -3.571 6.570 -6.126
823 HB PHE 101 QB PHE 101 -3.571 6.570 -6.126
824 HD1 PHE 101 1HD PHE 101 -3.318 4.345 -7.245
825 HD2 PHE 101 2HD PHE 101 -3.318 4.752 -3.021
826 HE1 PHE 101 1HE PHE 101 -3.804 1.895 -7.009
827 HE2 PHE 101 2HE PHE 101 -3.804 2.301 -2.785
828 HZ PHE 101 HZ PHE 101 -4.042 0.901 -4.782
829 H GLU 102 H GLU 102 -1.570 4.847 -7.506
830 HA GLU 102 HA GLU 102 -1.466 6.967 -9.456
831 HB GLU 102 2HB GLU 102 0.419 4.734 -10.038
832 HB GLU 102 QB GLU 102 0.419 4.734 -10.038
833 HG GLU 102 2HG GLU 102 -0.082 7.462 -10.852
834 HG GLU 102 QG GLU 102 -0.082 7.462 -10.852
835 HE1 GLU 102 HE GLU 102 2.316 9.018 -8.959
836 H GLN 103 H GLN 103 -0.682 4.760 -11.490
837 HA GLN 103 HA GLN 103 -2.911 2.976 -11.277
838 HB GLN 103 2HB GLN 103 -3.989 3.634 -13.356
839 HB GLN 103 QB GLN 103 -3.989 3.634 -13.356
840 HG GLN 103 2HG GLN 103 -3.397 6.075 -11.616
841 HG GLN 103 QG GLN 103 -3.397 6.075 -11.616
842 1HE2 GLN 103 2HE2 GLN 103 -5.988 7.960 -13.097
843 2HE2 GLN 103 1HE2 GLN 103 -5.074 7.658 -11.657
844 H SER 104 H SER 104 -1.419 1.254 -11.317
845 HA SER 104 HA SER 104 0.061 -0.137 -12.101
846 HB SER 104 2HB SER 104 -1.333 0.688 -14.674
847 HB SER 104 QB SER 104 -1.333 0.688 -14.674
848 HG SER 104 HG SER 104 0.182 -1.734 -14.433
849 H GLU 105 H GLU 105 0.014 2.502 -14.620
850 HA GLU 105 HA GLU 105 2.450 2.413 -15.557
851 HB GLU 105 2HB GLU 105 0.981 4.912 -14.619
852 HB GLU 105 QB GLU 105 0.981 4.912 -14.619
853 HG GLU 105 2HG GLU 105 3.633 4.584 -15.864
854 HG GLU 105 QG GLU 105 3.633 4.584 -15.864
855 HE2 GLU 105 HE GLU 105 2.604 5.314 -19.071
856 H GLN 106 H GLN 106 1.610 3.304 -12.223
857 HA GLN 106 HA GLN 106 4.055 4.470 -11.573
858 HB GLN 106 2HB GLN 106 1.710 3.354 -10.070
859 HB GLN 106 QB GLN 106 1.710 3.354 -10.070
860 HG GLN 106 2HG GLN 106 4.467 3.873 -8.882
861 HG GLN 106 QG GLN 106 4.467 3.873 -8.882
862 1HE2 GLN 106 2HE2 GLN 106 3.110 5.663 -6.246
863 2HE2 GLN 106 1HE2 GLN 106 4.279 5.518 -7.515
864 H GLN 107 H GLN 107 3.297 1.277 -12.454
865 HA GLN 107 HA GLN 107 4.435 -0.439 -10.858
866 HB GLN 107 2HB GLN 107 5.061 -0.215 -13.836
867 HB GLN 107 QB GLN 107 5.061 -0.215 -13.836
868 HG GLN 107 2HG GLN 107 6.323 -1.939 -12.202
869 HG GLN 107 QG GLN 107 6.323 -1.939 -12.202
870 1HE2 GLN 107 2HE2 GLN 107 3.756 -4.961 -12.707
871 2HE2 GLN 107 1HE2 GLN 107 4.739 -4.226 -13.929
872 H ALA 108 H ALA 108 6.154 2.182 -12.528
873 HA ALA 108 HA ALA 108 8.737 1.124 -11.753
874 1HB ALA 108 3HB ALA 108 8.301 2.238 -13.967
875 2HB ALA 108 1HB ALA 108 8.007 3.759 -13.089
876 3HB ALA 108 2HB ALA 108 9.612 2.990 -13.027
877 H LEU 109 H LEU 109 6.699 4.068 -11.130
878 HA LEU 109 HA LEU 109 8.402 5.050 -9.122
879 HB LEU 109 2HB LEU 109 5.737 5.953 -8.726
880 HB LEU 109 QB LEU 109 5.737 5.953 -8.726
881 HG LEU 109 HG LEU 109 8.122 7.173 -10.129
882 1HD1 LEU 109 3HD1 LEU 109 5.648 7.890 -10.846
883 2HD1 LEU 109 1HD1 LEU 109 5.812 8.892 -9.384
884 3HD1 LEU 109 2HD1 LEU 109 6.990 9.051 -10.709
885 1HD2 LEU 109 3HD2 LEU 109 8.024 6.778 -7.577
886 2HD2 LEU 109 1HD2 LEU 109 8.497 8.385 -8.179
887 3HD2 LEU 109 2HD2 LEU 109 6.848 8.113 -7.570
888 H LEU 110 H LEU 110 6.147 2.416 -9.228
889 HA LEU 110 HA LEU 110 5.185 2.413 -6.634
890 HB LEU 110 2HB LEU 110 5.922 -0.127 -8.030
891 HB LEU 110 QB LEU 110 5.922 -0.127 -8.030
892 HG LEU 110 HG LEU 110 4.445 0.059 -5.887
893 1HD1 LEU 110 1HD1 LEU 110 2.499 0.949 -8.029
894 2HD1 LEU 110 2HD1 LEU 110 2.022 0.328 -6.431
895 3HD1 LEU 110 3HD1 LEU 110 2.974 1.827 -6.555
896 1HD2 LEU 110 1HD2 LEU 110 4.730 -1.824 -7.823
897 2HD2 LEU 110 2HD2 LEU 110 3.738 -2.022 -6.359
898 3HD2 LEU 110 3HD2 LEU 110 2.975 -1.534 -7.891
899 H THR 111 H THR 111 8.357 1.452 -7.977
900 HA THR 111 HA THR 111 9.312 0.056 -5.762
901 HB THR 111 HB THR 111 10.300 1.274 -8.261
902 HG1 THR 111 1HG THR 111 10.935 -0.894 -6.394
903 1HG2 THR 111 2HG2 THR 111 12.214 0.996 -5.884
904 2HG2 THR 111 3HG2 THR 111 12.681 1.318 -7.570
905 3HG2 THR 111 1HG2 THR 111 11.774 2.541 -6.650
906 H LEU 112 H LEU 112 8.189 3.216 -5.829
907 HA LEU 112 HA LEU 112 8.113 4.524 -3.958
908 HB LEU 112 2HB LEU 112 10.762 3.309 -3.165
909 HB LEU 112 QB LEU 112 10.762 3.309 -3.165
910 HG LEU 112 HG LEU 112 9.152 5.453 -1.981
911 1HD1 LEU 112 3HD1 LEU 112 8.272 3.617 -0.627
912 2HD1 LEU 112 1HD1 LEU 112 9.930 3.113 -0.218
913 3HD1 LEU 112 2HD1 LEU 112 9.315 4.690 0.335
914 1HD2 LEU 112 2HD2 LEU 112 11.951 4.445 -1.942
915 2HD2 LEU 112 3HD2 LEU 112 11.319 6.094 -2.172
916 3HD2 LEU 112 1HD2 LEU 112 11.403 5.393 -0.538
917 H GLY 113 H GLY 113 9.224 4.777 -6.734
918 1HA GLY 113 1HA GLY 113 10.493 6.182 -7.977
919 2HA GLY 113 2HA GLY 113 9.890 7.380 -6.849
920 H VAL 114 H VAL 114 11.953 4.725 -5.699
921 HA VAL 114 HA VAL 114 14.312 6.416 -5.810
922 HB VAL 114 HB VAL 114 12.931 5.528 -3.285
923 1HG1 VAL 114 3HG1 VAL 114 15.854 6.017 -3.774
924 2HG1 VAL 114 1HG1 VAL 114 15.132 6.514 -2.225
925 3HG1 VAL 114 2HG1 VAL 114 15.058 4.810 -2.735
926 1HG2 VAL 114 2HG2 VAL 114 13.577 8.102 -4.604
927 2HG2 VAL 114 3HG2 VAL 114 12.240 7.672 -3.512
928 3HG2 VAL 114 1HG2 VAL 114 13.847 8.047 -2.846
929 H ALA 115 H ALA 115 14.616 4.622 -7.459
930 HA ALA 115 HA ALA 115 16.493 2.868 -6.757
931 1HB ALA 115 2HB ALA 115 13.923 1.990 -5.679
932 2HB ALA 115 3HB ALA 115 14.624 0.780 -6.778
933 3HB ALA 115 1HB ALA 115 15.557 1.355 -5.375
934 H SER 116 H SER 116 17.150 3.303 -8.868
935 HA SER 116 HA SER 116 17.075 3.372 -11.062
936 HB SER 116 2HB SER 116 17.341 0.823 -10.223
937 HB SER 116 QB SER 116 17.341 0.823 -10.223
938 HG SER 116 HG SER 116 14.975 0.471 -10.528
No H/Q in entry = 795
Start of MODEL 11
1 H SER 1 H SER 1 -10.156 -15.275 -2.879
2 HA SER 1 HA SER 1 -11.023 -14.818 -0.256
3 HB SER 1 2HB SER 1 -9.333 -16.864 0.102
4 HB SER 1 QB SER 1 -9.333 -16.864 0.102
5 HG SER 1 HG SER 1 -11.908 -16.658 -0.572
6 H LEU 2 H LEU 2 -9.024 -12.865 -1.601
7 HA LEU 2 HA LEU 2 -7.410 -11.530 -0.895
8 HB LEU 2 2HB LEU 2 -7.773 -13.037 1.692
9 HB LEU 2 QB LEU 2 -7.773 -13.037 1.692
10 HG LEU 2 HG LEU 2 -5.544 -11.453 1.112
11 1HD1 LEU 2 2HD1 LEU 2 -7.311 -9.549 1.209
12 2HD1 LEU 2 3HD1 LEU 2 -7.245 -9.812 2.968
13 3HD1 LEU 2 1HD1 LEU 2 -5.769 -9.363 2.078
14 1HD2 LEU 2 1HD2 LEU 2 -5.743 -13.158 2.869
15 2HD2 LEU 2 2HD2 LEU 2 -5.088 -11.626 3.497
16 3HD2 LEU 2 3HD2 LEU 2 -6.785 -12.063 3.809
17 H GLY 3 H GLY 3 -5.276 -11.530 -1.463
18 1HA GLY 3 1HA GLY 3 -3.710 -13.963 -0.973
19 2HA GLY 3 2HA GLY 3 -3.922 -13.424 -2.627
20 H ILE 4 H ILE 4 -2.726 -12.415 0.621
21 HA ILE 4 HA ILE 4 -1.487 -10.057 -0.350
22 HB ILE 4 HB ILE 4 -2.114 -10.069 1.896
23 HG1 ILE 4 2HG1 ILE 4 0.886 -10.514 1.857
24 HG1 ILE 4 QG1 ILE 4 0.886 -10.514 1.857
25 1HG2 ILE 4 2HG2 ILE 4 -0.855 -12.790 1.985
26 2HG2 ILE 4 3HG2 ILE 4 -0.991 -11.827 3.477
27 3HG2 ILE 4 1HG2 ILE 4 -2.453 -12.250 2.553
28 1HD1 ILE 4 1HD1 ILE 4 -0.621 -8.622 0.438
29 2HD1 ILE 4 2HD1 ILE 4 -0.152 -7.765 1.925
30 3HD1 ILE 4 3HD1 ILE 4 1.098 -8.476 0.877
31 H ASP 5 H ASP 5 0.809 -9.646 -0.592
32 HA ASP 5 HA ASP 5 2.394 -12.050 -0.902
33 HB ASP 5 2HB ASP 5 2.424 -9.829 -2.985
34 HB ASP 5 QB ASP 5 2.424 -9.829 -2.985
35 HD2 ASP 5 HD ASP 5 4.290 -11.787 -5.076
36 H MET 6 H MET 6 4.830 -11.268 -1.377
37 HA MET 6 HA MET 6 5.387 -8.627 -0.462
38 HB MET 6 2HB MET 6 7.029 -9.941 1.311
39 HB MET 6 QB MET 6 7.029 -9.941 1.311
40 HG MET 6 2HG MET 6 4.107 -9.317 1.947
41 HG MET 6 QG MET 6 4.107 -9.317 1.947
42 1HE MET 6 3HE MET 6 7.731 -8.705 2.712
43 2HE MET 6 1HE MET 6 7.164 -7.534 3.928
44 3HE MET 6 2HE MET 6 7.937 -9.051 4.446
45 H ASN 7 H ASN 7 7.346 -7.904 -1.295
46 HA ASN 7 HA ASN 7 9.211 -9.935 -2.167
47 HB ASN 7 2HB ASN 7 9.106 -7.814 -4.161
48 HB ASN 7 QB ASN 7 9.106 -7.814 -4.161
49 1HD2 ASN 7 2HD2 ASN 7 10.557 -10.671 -5.596
50 2HD2 ASN 7 1HD2 ASN 7 10.814 -9.162 -4.789
51 H VAL 8 H VAL 8 11.375 -8.788 -2.845
52 HA VAL 8 HA VAL 8 11.633 -6.181 -1.535
53 HB VAL 8 HB VAL 8 12.590 -8.660 -0.543
54 1HG1 VAL 8 2HG1 VAL 8 14.479 -8.289 -2.173
55 2HG1 VAL 8 3HG1 VAL 8 14.887 -6.815 -1.262
56 3HG1 VAL 8 1HG1 VAL 8 14.968 -8.404 -0.465
57 1HG2 VAL 8 3HG2 VAL 8 11.919 -6.241 0.460
58 2HG2 VAL 8 1HG2 VAL 8 12.840 -7.463 1.370
59 3HG2 VAL 8 2HG2 VAL 8 13.692 -6.129 0.557
60 H LYS 9 H LYS 9 13.117 -4.775 -2.525
61 HA LYS 9 HA LYS 9 14.709 -5.825 -4.705
62 HB LYS 9 2HB LYS 9 13.535 -5.004 -6.417
63 HB LYS 9 QB LYS 9 13.535 -5.004 -6.417
64 HG LYS 9 2HG LYS 9 11.081 -4.292 -5.779
65 HG LYS 9 QG LYS 9 11.081 -4.292 -5.779
66 HD LYS 9 2HD LYS 9 11.152 -6.945 -4.699
67 HD LYS 9 QD LYS 9 11.152 -6.945 -4.699
68 HE LYS 9 2HE LYS 9 10.030 -5.528 -6.902
69 HE LYS 9 QE LYS 9 10.030 -5.528 -6.902
70 1HZ LYS 9 1HZ LYS 9 10.865 -8.053 -8.030
71 2HZ LYS 9 2HZ LYS 9 10.727 -6.602 -8.756
72 H GLU 10 H GLU 10 16.670 -5.183 -3.947
73 HA GLU 10 HA GLU 10 18.292 -3.881 -3.325
74 HB GLU 10 2HB GLU 10 16.452 -1.821 -4.551
75 HB GLU 10 QB GLU 10 16.452 -1.821 -4.551
76 HG GLU 10 2HG GLU 10 18.781 -1.323 -2.749
77 HG GLU 10 QG GLU 10 18.781 -1.323 -2.749
78 HE2 GLU 10 HE GLU 10 20.525 0.197 -3.471
79 H SER 11 H SER 11 15.046 -3.184 -2.127
80 HA SER 11 HA SER 11 15.574 -3.340 0.454
81 HB SER 11 2HB SER 11 16.879 -1.590 1.049
82 HB SER 11 QB SER 11 16.879 -1.590 1.049
83 HG SER 11 HG SER 11 16.272 0.098 -1.161
84 H VAL 12 H VAL 12 13.752 -2.493 -2.220
85 HA VAL 12 HA VAL 12 11.578 -1.256 -0.758
86 HB VAL 12 HB VAL 12 12.316 -0.547 -3.041
87 1HG1 VAL 12 1HG1 VAL 12 12.499 -3.118 -3.708
88 2HG1 VAL 12 2HG1 VAL 12 10.819 -2.848 -4.229
89 3HG1 VAL 12 3HG1 VAL 12 12.131 -1.859 -4.912
90 1HG2 VAL 12 2HG2 VAL 12 10.071 -0.033 -2.103
91 2HG2 VAL 12 3HG2 VAL 12 10.070 -0.176 -3.878
92 3HG2 VAL 12 1HG2 VAL 12 9.440 -1.507 -2.878
93 H LEU 13 H LEU 13 10.032 -2.414 0.261
94 HA LEU 13 HA LEU 13 9.897 -5.262 -0.329
95 HB LEU 13 2HB LEU 13 9.593 -5.482 1.835
96 HB LEU 13 QB LEU 13 9.593 -5.482 1.835
97 HG LEU 13 HG LEU 13 10.693 -2.981 1.772
98 1HD1 LEU 13 3HD1 LEU 13 8.181 -2.209 1.978
99 2HD1 LEU 13 1HD1 LEU 13 8.443 -2.573 3.700
100 3HD1 LEU 13 2HD1 LEU 13 9.478 -1.384 2.875
101 1HD2 LEU 13 3HD2 LEU 13 10.310 -5.107 3.673
102 2HD2 LEU 13 1HD2 LEU 13 11.663 -3.963 3.507
103 3HD2 LEU 13 2HD2 LEU 13 10.251 -3.533 4.501
104 H CYS 14 H CYS 14 8.660 -5.677 -2.107
105 HA CYS 14 HA CYS 14 6.408 -4.037 -2.703
106 HB CYS 14 2HB CYS 14 6.338 -5.112 -4.727
107 HB CYS 14 QB CYS 14 6.338 -5.112 -4.727
108 HG CYS 14 HG CYS 14 8.869 -4.163 -3.819
109 H ILE 15 H ILE 15 4.262 -4.427 -2.145
110 HA ILE 15 HA ILE 15 3.732 -6.987 -0.804
111 HB ILE 15 HB ILE 15 3.169 -4.188 0.006
112 HG1 ILE 15 2HG1 ILE 15 3.651 -6.727 1.590
113 HG1 ILE 15 QG1 ILE 15 3.651 -6.727 1.590
114 1HG2 ILE 15 3HG2 ILE 15 1.190 -6.437 0.249
115 2HG2 ILE 15 1HG2 ILE 15 1.304 -5.187 1.510
116 3HG2 ILE 15 2HG2 ILE 15 0.923 -4.727 -0.166
117 1HD1 ILE 15 3HD1 ILE 15 5.459 -4.749 0.258
118 2HD1 ILE 15 1HD1 ILE 15 5.870 -5.198 1.932
119 3HD1 ILE 15 2HD1 ILE 15 5.750 -6.454 0.677
120 H ARG 16 H ARG 16 2.944 -8.026 -2.667
121 HA ARG 16 HA ARG 16 0.907 -6.664 -4.149
122 HB ARG 16 2HB ARG 16 1.093 -9.394 -4.982
123 HB ARG 16 QB ARG 16 1.093 -9.394 -4.982
124 HG ARG 16 2HG ARG 16 1.764 -6.695 -5.991
125 HG ARG 16 QG ARG 16 1.764 -6.695 -5.991
126 HD ARG 16 2HD ARG 16 3.349 -9.139 -6.898
127 HD ARG 16 QD ARG 16 3.349 -9.139 -6.898
128 HE ARG 16 HE ARG 16 3.547 -6.657 -8.454
129 1HH1 ARG 16 2HH2 ARG 16 1.965 -9.819 -8.214
130 2HH1 ARG 16 1HH2 ARG 16 1.559 -9.882 -9.897
131 HH2 ARG 16 1HH ARG 16 2.184 -8.061 -11.325
132 H LEU 17 H LEU 17 -1.064 -6.584 -3.059
133 HA LEU 17 HA LEU 17 -1.949 -9.050 -1.751
134 HB LEU 17 2HB LEU 17 -2.701 -6.155 -1.390
135 HB LEU 17 QB LEU 17 -2.701 -6.155 -1.390
136 HG LEU 17 HG LEU 17 -4.005 -7.047 0.622
137 1HD1 LEU 17 3HD1 LEU 17 -4.954 -5.952 -1.447
138 2HD1 LEU 17 1HD1 LEU 17 -5.283 -7.589 -2.065
139 3HD1 LEU 17 2HD1 LEU 17 -6.059 -7.031 -0.563
140 1HD2 LEU 17 2HD2 LEU 17 -3.181 -9.398 0.369
141 2HD2 LEU 17 3HD2 LEU 17 -4.948 -9.241 0.518
142 3HD2 LEU 17 1HD2 LEU 17 -4.213 -9.547 -1.074
143 H THR 18 H THR 18 -3.504 -10.271 -2.684
144 HA THR 18 HA THR 18 -5.217 -8.952 -4.679
145 HB THR 18 HB THR 18 -4.976 -11.374 -5.793
146 HG1 THR 18 1HG THR 18 -2.463 -10.888 -4.362
147 1HG2 THR 18 1HG2 THR 18 -4.101 -9.210 -6.812
148 2HG2 THR 18 2HG2 THR 18 -2.612 -9.427 -5.862
149 3HG2 THR 18 3HG2 THR 18 -3.047 -10.613 -7.115
150 H GLY 19 H GLY 19 -7.212 -8.890 -3.856
151 1HA GLY 19 1HA GLY 19 -8.811 -11.041 -3.453
152 2HA GLY 19 2HA GLY 19 -8.053 -10.821 -1.888
153 H GLU 20 H GLU 20 -9.217 -9.589 -0.486
154 HA GLU 20 HA GLU 20 -10.736 -7.397 -1.669
155 HB GLU 20 2HB GLU 20 -12.051 -8.078 0.721
156 HB GLU 20 QB GLU 20 -12.051 -8.078 0.721
157 HG GLU 20 2HG GLU 20 -12.664 -7.729 -1.994
158 HG GLU 20 QG GLU 20 -12.664 -7.729 -1.994
159 HE2 GLU 20 HE GLU 20 -14.710 -10.094 -0.631
160 H LEU 21 H LEU 21 -11.242 -5.613 -0.005
161 HA LEU 21 HA LEU 21 -9.076 -5.456 1.969
162 HB LEU 21 2HB LEU 21 -9.605 -2.848 1.158
163 HB LEU 21 QB LEU 21 -9.605 -2.848 1.158
164 HG LEU 21 HG LEU 21 -7.399 -2.683 0.711
165 1HD1 LEU 21 3HD1 LEU 21 -7.755 -4.214 2.768
166 2HD1 LEU 21 1HD1 LEU 21 -7.098 -5.500 1.726
167 3HD1 LEU 21 2HD1 LEU 21 -6.121 -4.055 2.082
168 1HD2 LEU 21 2HD2 LEU 21 -7.622 -5.287 -0.812
169 2HD2 LEU 21 3HD2 LEU 21 -7.410 -3.643 -1.461
170 3HD2 LEU 21 1HD2 LEU 21 -6.088 -4.421 -0.558
171 H ASP 22 H ASP 22 -10.474 -6.124 3.654
172 HA ASP 22 HA ASP 22 -12.335 -4.029 4.383
173 HB ASP 22 2HB ASP 22 -14.170 -5.358 4.264
174 HB ASP 22 QB ASP 22 -14.170 -5.358 4.264
175 HD2 ASP 22 HD ASP 22 -13.765 -8.337 4.200
176 H HIS 23 H HIS 23 -13.066 -4.494 6.824
177 HA HIS 23 HA HIS 23 -10.883 -4.493 8.431
178 HB HIS 23 2HB HIS 23 -13.422 -3.963 8.843
179 HB HIS 23 QB HIS 23 -13.422 -3.963 8.843
180 HD1 HIS 23 1HD HIS 23 -12.974 -6.349 11.609
181 HD2 HIS 23 2HD HIS 23 -15.116 -6.219 8.005
182 HE1 HIS 23 1HE HIS 23 -14.747 -8.177 11.765
183 H HIS 24 H HIS 24 -12.237 -7.175 6.729
184 HA HIS 24 HA HIS 24 -11.055 -9.080 8.582
185 HB HIS 24 2HB HIS 24 -12.110 -10.702 6.820
186 HB HIS 24 QB HIS 24 -12.110 -10.702 6.820
187 HD1 HIS 24 1HD HIS 24 -12.337 -11.049 9.635
188 HD2 HIS 24 2HD HIS 24 -15.351 -8.967 7.592
189 HE1 HIS 24 1HE HIS 24 -14.392 -11.105 11.144
190 H THR 25 H THR 25 -10.973 -8.164 5.067
191 HA THR 25 HA THR 25 -8.592 -9.740 4.670
192 HB THR 25 HB THR 25 -8.937 -9.148 2.357
193 HG1 THR 25 1HG THR 25 -10.811 -7.302 2.323
194 1HG2 THR 25 2HG2 THR 25 -10.974 -10.355 3.615
195 2HG2 THR 25 3HG2 THR 25 -11.789 -8.801 3.313
196 3HG2 THR 25 1HG2 THR 25 -11.173 -9.764 1.948
197 H ALA 26 H ALA 26 -9.369 -6.514 5.720
198 HA ALA 26 HA ALA 26 -6.909 -5.363 4.820
199 1HB ALA 26 2HB ALA 26 -9.119 -4.490 6.714
200 2HB ALA 26 3HB ALA 26 -7.689 -3.490 6.365
201 3HB ALA 26 1HB ALA 26 -8.812 -3.926 5.055
202 H GLU 27 H GLU 27 -7.854 -7.517 7.335
203 HA GLU 27 HA GLU 27 -6.214 -6.625 9.382
204 HB GLU 27 2HB GLU 27 -6.432 -9.538 9.298
205 HB GLU 27 QB GLU 27 -6.432 -9.538 9.298
206 HG GLU 27 2HG GLU 27 -6.566 -7.518 11.192
207 HG GLU 27 QG GLU 27 -6.566 -7.518 11.192
208 HE2 GLU 27 HE GLU 27 -9.800 -6.454 11.667
209 H THR 28 H THR 28 -5.639 -8.953 6.670
210 HA THR 28 HA THR 28 -3.197 -9.932 7.317
211 HB THR 28 HB THR 28 -4.876 -9.952 5.127
212 HG1 THR 28 1HG THR 28 -3.509 -11.689 5.078
213 1HG2 THR 28 3HG2 THR 28 -2.243 -8.626 4.288
214 2HG2 THR 28 1HG2 THR 28 -3.475 -9.282 3.184
215 3HG2 THR 28 2HG2 THR 28 -3.846 -7.857 4.185
216 H LEU 29 H LEU 29 -3.852 -6.716 5.805
217 HA LEU 29 HA LEU 29 -1.083 -6.065 5.753
218 HB LEU 29 2HB LEU 29 -3.118 -3.921 5.666
219 HB LEU 29 QB LEU 29 -3.118 -3.921 5.666
220 HG LEU 29 HG LEU 29 -0.978 -3.281 4.875
221 1HD1 LEU 29 2HD1 LEU 29 -0.896 -6.014 3.808
222 2HD1 LEU 29 3HD1 LEU 29 -0.244 -4.783 2.699
223 3HD1 LEU 29 1HD1 LEU 29 0.421 -4.942 4.343
224 1HD2 LEU 29 2HD2 LEU 29 -2.893 -2.514 3.524
225 2HD2 LEU 29 3HD2 LEU 29 -1.397 -2.659 2.570
226 3HD2 LEU 29 1HD2 LEU 29 -2.665 -3.902 2.435
227 H LYS 30 H LYS 30 -3.740 -5.800 8.083
228 HA LYS 30 HA LYS 30 -2.809 -3.775 9.685
229 HB LYS 30 2HB LYS 30 -4.085 -6.280 10.780
230 HB LYS 30 QB LYS 30 -4.085 -6.280 10.780
231 HG LYS 30 2HG LYS 30 -5.375 -4.483 12.053
232 HG LYS 30 QG LYS 30 -5.375 -4.483 12.053
233 HD LYS 30 2HD LYS 30 -2.756 -5.496 12.500
234 HD LYS 30 QD LYS 30 -2.756 -5.496 12.500
235 HE LYS 30 2HE LYS 30 -2.251 -2.910 12.019
236 HE LYS 30 QE LYS 30 -2.251 -2.910 12.019
237 1HZ LYS 30 1HZ LYS 30 -3.636 -2.936 14.585
238 2HZ LYS 30 2HZ LYS 30 -2.278 -2.039 14.525
239 H GLN 31 H GLN 31 -1.849 -7.248 9.577
240 HA GLN 31 HA GLN 31 -0.067 -6.904 11.758
241 HB GLN 31 2HB GLN 31 -1.039 -9.082 11.466
242 HB GLN 31 QB GLN 31 -1.039 -9.082 11.466
243 HG GLN 31 2HG GLN 31 0.047 -8.876 8.625
244 HG GLN 31 QG GLN 31 0.047 -8.876 8.625
245 1HE2 GLN 31 2HE2 GLN 31 -1.547 -12.504 8.896
246 2HE2 GLN 31 1HE2 GLN 31 -2.383 -10.994 8.750
247 H LYS 32 H LYS 32 0.084 -6.763 8.202
248 HA LYS 32 HA LYS 32 2.871 -6.970 7.964
249 HB LYS 32 2HB LYS 32 0.861 -5.605 6.149
250 HB LYS 32 QB LYS 32 0.861 -5.605 6.149
251 HG LYS 32 2HG LYS 32 3.266 -5.045 5.676
252 HG LYS 32 QG LYS 32 3.266 -5.045 5.676
253 HD LYS 32 2HD LYS 32 4.022 -7.656 4.649
254 HD LYS 32 QD LYS 32 4.022 -7.656 4.649
255 HE LYS 32 2HE LYS 32 5.141 -5.657 6.648
256 HE LYS 32 QE LYS 32 5.141 -5.657 6.648
257 1HZ LYS 32 1HZ LYS 32 5.804 -8.413 6.450
258 2HZ LYS 32 2HZ LYS 32 7.082 -7.515 5.990
259 H VAL 33 H VAL 33 0.908 -4.600 9.446
260 HA VAL 33 HA VAL 33 2.500 -2.332 8.760
261 HB VAL 33 HB VAL 33 0.600 -2.670 11.081
262 1HG1 VAL 33 3HG1 VAL 33 1.914 -0.374 9.706
263 2HG1 VAL 33 1HG1 VAL 33 0.227 -0.153 10.229
264 3HG1 VAL 33 2HG1 VAL 33 1.477 -0.592 11.418
265 1HG2 VAL 33 3HG2 VAL 33 0.063 -2.578 8.166
266 2HG2 VAL 33 1HG2 VAL 33 -0.919 -3.233 9.498
267 3HG2 VAL 33 2HG2 VAL 33 -0.919 -1.483 9.168
268 H THR 34 H THR 34 2.093 -4.378 11.737
269 HA THR 34 HA THR 34 4.060 -3.145 13.245
270 HB THR 34 HB THR 34 2.534 -4.658 14.309
271 HG1 THR 34 1HG THR 34 4.255 -5.523 15.402
272 1HG2 THR 34 1HG2 THR 34 3.472 -6.658 12.195
273 2HG2 THR 34 2HG2 THR 34 2.638 -7.162 13.684
274 3HG2 THR 34 3HG2 THR 34 1.806 -6.116 12.509
275 H GLN 35 H GLN 35 4.339 -5.674 10.719
276 HA GLN 35 HA GLN 35 6.987 -6.289 11.262
277 HB GLN 35 2HB GLN 35 6.963 -7.099 8.822
278 HB GLN 35 QB GLN 35 6.963 -7.099 8.822
279 HG GLN 35 2HG GLN 35 5.086 -7.924 11.014
280 HG GLN 35 QG GLN 35 5.086 -7.924 11.014
281 1HE2 GLN 35 2HE2 GLN 35 2.504 -8.973 8.933
282 2HE2 GLN 35 1HE2 GLN 35 3.046 -7.970 10.238
283 H SER 36 H SER 36 5.476 -3.902 8.997
284 HA SER 36 HA SER 36 8.000 -3.024 8.075
285 HB SER 36 2HB SER 36 5.645 -1.223 7.767
286 HB SER 36 QB SER 36 5.645 -1.223 7.767
287 HG SER 36 HG SER 36 7.784 -2.257 6.218
288 H LEU 37 H LEU 37 5.906 -2.330 10.801
289 HA LEU 37 HA LEU 37 6.466 0.299 11.335
290 HB LEU 37 2HB LEU 37 6.453 -1.174 13.775
291 HB LEU 37 QB LEU 37 6.453 -1.174 13.775
292 HG LEU 37 HG LEU 37 4.333 -0.226 14.180
293 1HD1 LEU 37 1HD1 LEU 37 6.368 1.338 13.853
294 2HD1 LEU 37 2HD1 LEU 37 5.523 1.872 12.381
295 3HD1 LEU 37 3HD1 LEU 37 4.742 2.051 13.971
296 1HD2 LEU 37 1HD2 LEU 37 3.391 -1.017 11.946
297 2HD2 LEU 37 2HD2 LEU 37 2.776 0.526 12.588
298 3HD2 LEU 37 3HD2 LEU 37 3.982 0.524 11.278
299 H GLU 38 H GLU 38 8.504 -2.601 11.718
300 HA GLU 38 HA GLU 38 10.787 -0.963 11.862
301 HB GLU 38 2HB GLU 38 11.237 -2.448 14.207
302 HB GLU 38 QB GLU 38 11.237 -2.448 14.207
303 HG GLU 38 2HG GLU 38 10.745 -0.049 15.253
304 HG GLU 38 QG GLU 38 10.745 -0.049 15.253
305 HE2 GLU 38 HE GLU 38 13.057 1.354 13.248
306 H LYS 39 H LYS 39 10.971 -2.369 9.911
307 HA LYS 39 HA LYS 39 11.182 -5.175 10.235
308 HB LYS 39 2HB LYS 39 12.400 -3.722 7.916
309 HB LYS 39 QB LYS 39 12.400 -3.722 7.916
310 HG LYS 39 2HG LYS 39 10.494 -6.099 8.129
311 HG LYS 39 QG LYS 39 10.494 -6.099 8.129
312 HD LYS 39 2HD LYS 39 10.551 -4.939 5.909
313 HD LYS 39 QD LYS 39 10.551 -4.939 5.909
314 HE LYS 39 2HE LYS 39 13.482 -5.125 6.428
315 HE LYS 39 QE LYS 39 13.482 -5.125 6.428
316 1HZ LYS 39 1HZ LYS 39 14.076 -5.699 4.280
317 2HZ LYS 39 2HZ LYS 39 12.815 -6.711 4.474
318 H ASP 40 H ASP 40 13.555 -2.461 9.956
319 HA ASP 40 HA ASP 40 15.320 -3.417 11.724
320 HB ASP 40 2HB ASP 40 17.069 -4.185 9.738
321 HB ASP 40 QB ASP 40 17.069 -4.185 9.738
322 HD2 ASP 40 HD ASP 40 16.364 -7.049 9.532
323 H ASP 41 H ASP 41 16.522 -2.943 8.376
324 HA ASP 41 HA ASP 41 17.765 -0.525 9.148
325 HB ASP 41 2HB ASP 41 17.456 -1.489 6.287
326 HB ASP 41 QB ASP 41 17.456 -1.489 6.287
327 HD1 ASP 41 HD ASP 41 19.736 1.145 7.782
328 H ILE 42 H ILE 42 17.257 0.393 6.140
329 HA ILE 42 HA ILE 42 14.564 1.478 6.579
330 HB ILE 42 HB ILE 42 17.129 2.868 6.184
331 HG1 ILE 42 2HG1 ILE 42 15.648 4.715 7.231
332 HG1 ILE 42 QG1 ILE 42 15.648 4.715 7.231
333 1HG2 ILE 42 1HG2 ILE 42 14.792 3.355 4.398
334 2HG2 ILE 42 2HG2 ILE 42 15.652 4.769 5.054
335 3HG2 ILE 42 3HG2 ILE 42 16.535 3.556 4.096
336 1HD1 ILE 42 1HD1 ILE 42 13.547 3.160 6.641
337 2HD1 ILE 42 2HD1 ILE 42 13.979 2.399 8.191
338 3HD1 ILE 42 3HD1 ILE 42 13.582 4.132 8.132
339 H ARG 43 H ARG 43 13.764 -0.274 5.254
340 HA ARG 43 HA ARG 43 14.815 -0.481 2.618
341 HB ARG 43 2HB ARG 43 12.444 -1.925 2.604
342 HB ARG 43 QB ARG 43 12.444 -1.925 2.604
343 HG ARG 43 2HG ARG 43 14.381 -3.114 2.009
344 HG ARG 43 QG ARG 43 14.381 -3.114 2.009
345 HD ARG 43 2HD ARG 43 15.549 -1.723 4.386
346 HD ARG 43 QD ARG 43 15.549 -1.723 4.386
347 HE ARG 43 HE ARG 43 16.204 -3.886 5.154
348 1HH1 ARG 43 2HH2 ARG 43 17.039 -3.429 1.741
349 2HH1 ARG 43 1HH2 ARG 43 18.099 -4.797 1.689
350 HH2 ARG 43 1HH ARG 43 18.417 -6.112 3.668
351 H HIS 44 H HIS 44 12.414 -0.940 1.109
352 HA HIS 44 HA HIS 44 11.091 1.665 1.275
353 HB HIS 44 2HB HIS 44 11.036 1.571 -1.275
354 HB HIS 44 QB HIS 44 11.036 1.571 -1.275
355 HD1 HIS 44 1HD HIS 44 12.012 3.639 0.729
356 HD2 HIS 44 2HD HIS 44 14.596 1.525 -1.811
357 HE1 HIS 44 1HE HIS 44 14.127 5.050 0.528
358 H ILE 45 H ILE 45 8.916 1.676 0.169
359 HA ILE 45 HA ILE 45 7.680 -0.953 0.550
360 HB ILE 45 HB ILE 45 5.869 0.061 1.400
361 HG1 ILE 45 2HG1 ILE 45 5.252 2.498 0.749
362 HG1 ILE 45 QG1 ILE 45 5.252 2.498 0.749
363 1HG2 ILE 45 2HG2 ILE 45 8.097 2.052 1.824
364 2HG2 ILE 45 3HG2 ILE 45 6.504 2.228 2.597
365 3HG2 ILE 45 1HG2 ILE 45 7.498 0.788 2.926
366 1HD1 ILE 45 3HD1 ILE 45 7.665 2.240 -0.705
367 2HD1 ILE 45 1HD1 ILE 45 6.370 2.071 -1.915
368 3HD1 ILE 45 2HD1 ILE 45 6.442 3.521 -0.886
369 H VAL 46 H VAL 46 5.927 -1.568 -0.973
370 HA VAL 46 HA VAL 46 5.803 -0.176 -3.468
371 HB VAL 46 HB VAL 46 7.587 -2.494 -3.087
372 1HG1 VAL 46 3HG1 VAL 46 5.707 -3.571 -4.267
373 2HG1 VAL 46 1HG1 VAL 46 5.805 -2.331 -5.540
374 3HG1 VAL 46 2HG1 VAL 46 7.159 -3.459 -5.291
375 1HG2 VAL 46 1HG2 VAL 46 8.133 -0.082 -3.860
376 2HG2 VAL 46 2HG2 VAL 46 8.890 -1.443 -4.721
377 3HG2 VAL 46 3HG2 VAL 46 7.493 -0.603 -5.436
378 H LEU 47 H LEU 47 3.576 -0.087 -2.780
379 HA LEU 47 HA LEU 47 2.213 -2.598 -2.391
380 HB LEU 47 2HB LEU 47 0.215 -1.016 -2.244
381 HB LEU 47 QB LEU 47 0.215 -1.016 -2.244
382 HG LEU 47 HG LEU 47 0.696 -0.194 -0.033
383 1HD1 LEU 47 2HD1 LEU 47 1.072 -2.907 -0.840
384 2HD1 LEU 47 3HD1 LEU 47 2.164 -2.564 0.523
385 3HD1 LEU 47 1HD1 LEU 47 0.416 -2.269 0.688
386 1HD2 LEU 47 2HD2 LEU 47 3.211 0.359 -0.939
387 2HD2 LEU 47 3HD2 LEU 47 2.708 0.384 0.768
388 3HD2 LEU 47 1HD2 LEU 47 3.507 -1.058 0.097
389 H ASN 48 H ASN 48 0.420 -3.327 -3.736
390 HA ASN 48 HA ASN 48 -0.166 -2.104 -6.153
391 HB ASN 48 2HB ASN 48 1.964 -4.272 -6.203
392 HB ASN 48 QB ASN 48 1.964 -4.272 -6.203
393 1HD2 ASN 48 2HD2 ASN 48 -0.185 -6.036 -8.420
394 2HD2 ASN 48 1HD2 ASN 48 0.316 -5.877 -6.769
395 H LEU 49 H LEU 49 -2.331 -2.749 -6.011
396 HA LEU 49 HA LEU 49 -2.868 -5.504 -5.200
397 HB LEU 49 2HB LEU 49 -5.255 -4.028 -5.471
398 HB LEU 49 QB LEU 49 -5.255 -4.028 -5.471
399 HG LEU 49 HG LEU 49 -3.781 -5.345 -3.323
400 1HD1 LEU 49 3HD1 LEU 49 -4.014 -2.756 -2.706
401 2HD1 LEU 49 1HD1 LEU 49 -5.640 -3.300 -2.224
402 3HD1 LEU 49 2HD1 LEU 49 -4.199 -4.056 -1.504
403 1HD2 LEU 49 1HD2 LEU 49 -6.509 -5.151 -4.398
404 2HD2 LEU 49 2HD2 LEU 49 -5.640 -6.536 -3.697
405 3HD2 LEU 49 3HD2 LEU 49 -6.429 -5.348 -2.631
406 H GLU 50 H GLU 50 -3.364 -7.014 -6.693
407 HA GLU 50 HA GLU 50 -3.929 -6.031 -9.360
408 HB GLU 50 2HB GLU 50 -3.647 -8.933 -9.127
409 HB GLU 50 QB GLU 50 -3.647 -8.933 -9.127
410 HG GLU 50 2HG GLU 50 -1.505 -8.183 -10.539
411 HG GLU 50 QG GLU 50 -1.505 -8.183 -10.539
412 HE2 GLU 50 HE GLU 50 -3.487 -7.001 -13.026
413 H ASP 51 H ASP 51 -5.402 -7.557 -6.576
414 HA ASP 51 HA ASP 51 -7.745 -8.106 -8.223
415 HB ASP 51 2HB ASP 51 -6.797 -9.461 -5.656
416 HB ASP 51 QB ASP 51 -6.797 -9.461 -5.656
417 HD2 ASP 51 HD ASP 51 -9.076 -10.273 -8.196
418 H LEU 52 H LEU 52 -7.924 -5.613 -7.652
419 HA LEU 52 HA LEU 52 -8.841 -5.210 -4.912
420 HB LEU 52 2HB LEU 52 -8.571 -3.050 -6.969
421 HB LEU 52 QB LEU 52 -8.571 -3.050 -6.969
422 HG LEU 52 HG LEU 52 -8.037 -1.612 -5.206
423 1HD1 LEU 52 2HD1 LEU 52 -10.452 -2.671 -5.281
424 2HD1 LEU 52 3HD1 LEU 52 -9.984 -3.294 -3.682
425 3HD1 LEU 52 1HD1 LEU 52 -9.976 -1.541 -3.991
426 1HD2 LEU 52 1HD2 LEU 52 -6.380 -3.108 -4.130
427 2HD2 LEU 52 2HD2 LEU 52 -7.429 -2.266 -2.964
428 3HD2 LEU 52 3HD2 LEU 52 -7.717 -3.981 -3.344
429 H SER 53 H SER 53 -10.952 -5.554 -4.504
430 HA SER 53 HA SER 53 -12.801 -4.733 -6.600
431 HB SER 53 2HB SER 53 -12.787 -7.297 -4.975
432 HB SER 53 QB SER 53 -12.787 -7.297 -4.975
433 HG SER 53 HG SER 53 -14.951 -7.458 -6.344
434 H PHE 54 H PHE 54 -13.528 -6.256 -3.425
435 HA PHE 54 HA PHE 54 -15.434 -4.495 -2.656
436 HB PHE 54 2HB PHE 54 -13.300 -6.075 -1.112
437 HB PHE 54 QB PHE 54 -13.300 -6.075 -1.112
438 HD1 PHE 54 2HD PHE 54 -16.856 -5.759 -0.261
439 HD2 PHE 54 1HD PHE 54 -12.899 -4.621 0.769
440 HE1 PHE 54 2HE PHE 54 -17.674 -4.920 1.958
441 HE2 PHE 54 1HE PHE 54 -13.718 -3.782 2.988
442 HZ PHE 54 HZ PHE 54 -16.096 -3.942 3.556
443 H MET 55 H MET 55 -12.175 -4.476 -1.057
444 HA MET 55 HA MET 55 -11.264 -2.821 0.106
445 HB MET 55 2HB MET 55 -11.357 -2.147 -2.819
446 HB MET 55 QB MET 55 -11.357 -2.147 -2.819
447 HG MET 55 2HG MET 55 -9.684 -0.158 -1.626
448 HG MET 55 QG MET 55 -9.684 -0.158 -1.626
449 1HE MET 55 3HE MET 55 -12.796 -1.506 -2.861
450 2HE MET 55 1HE MET 55 -13.766 -0.022 -3.014
451 3HE MET 55 2HE MET 55 -13.029 -0.756 -4.458
452 H ASP 56 H ASP 56 -12.895 -2.158 1.613
453 HA ASP 56 HA ASP 56 -14.559 0.038 0.724
454 HB ASP 56 2HB ASP 56 -14.672 -1.189 3.489
455 HB ASP 56 QB ASP 56 -14.672 -1.189 3.489
456 HD1 ASP 56 HD ASP 56 -16.600 -0.339 0.719
457 H SER 57 H SER 57 -14.815 0.776 3.738
458 HA SER 57 HA SER 57 -12.470 2.464 3.757
459 HB SER 57 2HB SER 57 -14.829 3.383 4.048
460 HB SER 57 QB SER 57 -14.829 3.383 4.048
461 HG SER 57 HG SER 57 -16.032 2.588 5.618
462 H SER 58 H SER 58 -12.840 -0.577 4.595
463 HA SER 58 HA SER 58 -12.269 -0.490 7.375
464 HB SER 58 2HB SER 58 -12.674 -2.733 7.302
465 HB SER 58 QB SER 58 -12.674 -2.733 7.302
466 HG SER 58 HG SER 58 -14.324 -2.090 5.850
467 H GLY 59 H GLY 59 -10.420 -1.630 4.445
468 1HA GLY 59 1HA GLY 59 -7.930 -1.636 5.886
469 2HA GLY 59 2HA GLY 59 -8.190 -1.972 4.186
470 H LEU 60 H LEU 60 -9.840 0.713 4.108
471 HA LEU 60 HA LEU 60 -7.924 2.276 2.939
472 HB LEU 60 2HB LEU 60 -10.121 3.683 4.330
473 HB LEU 60 QB LEU 60 -10.121 3.683 4.330
474 HG LEU 60 HG LEU 60 -10.703 4.261 1.907
475 1HD1 LEU 60 2HD1 LEU 60 -9.619 5.812 3.478
476 2HD1 LEU 60 3HD1 LEU 60 -8.027 5.186 2.988
477 3HD1 LEU 60 1HD1 LEU 60 -9.049 6.040 1.807
478 1HD2 LEU 60 3HD2 LEU 60 -9.277 2.325 1.022
479 2HD2 LEU 60 1HD2 LEU 60 -9.167 3.889 0.178
480 3HD2 LEU 60 2HD2 LEU 60 -7.879 3.392 1.301
481 H GLY 61 H GLY 61 -9.009 2.206 6.380
482 1HA GLY 61 1HA GLY 61 -7.222 4.332 7.138
483 2HA GLY 61 2HA GLY 61 -8.213 3.336 8.184
484 H VAL 62 H VAL 62 -7.204 0.750 7.051
485 HA VAL 62 HA VAL 62 -5.027 0.419 8.801
486 HB VAL 62 HB VAL 62 -6.857 -1.173 7.488
487 1HG1 VAL 62 2HG1 VAL 62 -4.086 -1.806 6.416
488 2HG1 VAL 62 3HG1 VAL 62 -5.521 -2.849 6.260
489 3HG1 VAL 62 1HG1 VAL 62 -5.487 -1.255 5.467
490 1HG2 VAL 62 3HG2 VAL 62 -4.425 -1.774 9.174
491 2HG2 VAL 62 1HG2 VAL 62 -6.141 -1.760 9.643
492 3HG2 VAL 62 2HG2 VAL 62 -5.512 -3.067 8.611
493 H ILE 63 H ILE 63 -5.329 1.474 5.466
494 HA ILE 63 HA ILE 63 -2.538 0.904 4.919
495 HB ILE 63 HB ILE 63 -4.939 1.670 3.367
496 HG1 ILE 63 2HG1 ILE 63 -3.024 -0.485 3.519
497 HG1 ILE 63 QG1 ILE 63 -3.024 -0.485 3.519
498 1HG2 ILE 63 1HG2 ILE 63 -2.241 2.817 2.852
499 2HG2 ILE 63 2HG2 ILE 63 -3.150 2.190 1.456
500 3HG2 ILE 63 3HG2 ILE 63 -3.859 3.460 2.482
501 1HD1 ILE 63 1HD1 ILE 63 -5.737 0.097 2.358
502 2HD1 ILE 63 2HD1 ILE 63 -4.858 -1.324 1.744
503 3HD1 ILE 63 3HD1 ILE 63 -5.237 -1.191 3.479
504 H LEU 64 H LEU 64 -4.721 3.595 5.773
505 HA LEU 64 HA LEU 64 -2.860 5.638 5.199
506 HB LEU 64 2HB LEU 64 -4.804 6.216 7.294
507 HB LEU 64 QB LEU 64 -4.804 6.216 7.294
508 HG LEU 64 HG LEU 64 -3.690 7.639 5.212
509 1HD1 LEU 64 3HD1 LEU 64 -6.486 6.806 4.431
510 2HD1 LEU 64 1HD1 LEU 64 -5.721 8.299 3.837
511 3HD1 LEU 64 2HD1 LEU 64 -4.989 6.718 3.473
512 1HD2 LEU 64 3HD2 LEU 64 -5.891 8.071 7.166
513 2HD2 LEU 64 1HD2 LEU 64 -4.357 8.945 6.942
514 3HD2 LEU 64 2HD2 LEU 64 -5.723 9.252 5.843
515 H GLY 65 H GLY 65 -3.727 3.788 8.180
516 1HA GLY 65 1HA GLY 65 -2.000 5.186 9.912
517 2HA GLY 65 2HA GLY 65 -2.674 3.588 10.158
518 H ARG 66 H ARG 66 -1.305 3.141 7.235
519 HA ARG 66 HA ARG 66 1.147 2.226 8.469
520 HB ARG 66 2HB ARG 66 0.869 1.351 5.718
521 HB ARG 66 QB ARG 66 0.869 1.351 5.718
522 HG ARG 66 2HG ARG 66 0.294 -0.285 8.219
523 HG ARG 66 QG ARG 66 0.294 -0.285 8.219
524 HD ARG 66 2HD ARG 66 0.068 -1.483 6.079
525 HD ARG 66 QD ARG 66 0.068 -1.483 6.079
526 HE ARG 66 HE ARG 66 2.276 0.134 5.239
527 1HH1 ARG 66 2HH2 ARG 66 1.070 -3.180 4.904
528 2HH1 ARG 66 1HH2 ARG 66 1.831 -3.433 3.368
529 HH2 ARG 66 1HH ARG 66 3.125 -1.667 2.394
530 H TYR 67 H TYR 67 -0.198 4.320 5.907
531 HA TYR 67 HA TYR 67 2.055 4.780 4.390
532 HB TYR 67 2HB TYR 67 0.198 7.036 5.217
533 HB TYR 67 QB TYR 67 0.198 7.036 5.217
534 HD1 TYR 67 2HD TYR 67 -0.099 4.936 2.187
535 HD2 TYR 67 1HD TYR 67 1.464 8.561 3.837
536 HE1 TYR 67 2HE TYR 67 0.391 5.797 -0.154
537 HE2 TYR 67 1HE TYR 67 1.950 9.411 1.490
538 HH TYR 67 HH TYR 67 2.431 8.248 -0.779
539 H LYS 68 H LYS 68 1.105 6.105 7.580
540 HA LYS 68 HA LYS 68 3.339 7.952 7.516
541 HB LYS 68 2HB LYS 68 2.391 8.945 9.413
542 HB LYS 68 QB LYS 68 2.391 8.945 9.413
543 HG LYS 68 2HG LYS 68 -0.148 8.933 8.928
544 HG LYS 68 QG LYS 68 -0.148 8.933 8.928
545 HD LYS 68 2HD LYS 68 0.318 9.755 6.441
546 HD LYS 68 QD LYS 68 0.318 9.755 6.441
547 HE LYS 68 2HE LYS 68 1.165 11.887 7.307
548 HE LYS 68 QE LYS 68 1.165 11.887 7.307
549 1HZ LYS 68 1HZ LYS 68 -1.036 10.607 8.346
550 2HZ LYS 68 2HZ LYS 68 -0.300 11.219 9.664
551 H GLN 69 H GLN 69 2.477 4.738 8.661
552 HA GLN 69 HA GLN 69 4.761 4.727 10.431
553 HB GLN 69 2HB GLN 69 3.492 2.148 10.259
554 HB GLN 69 QB GLN 69 3.492 2.148 10.259
555 HG GLN 69 2HG GLN 69 4.571 3.615 12.228
556 HG GLN 69 QG GLN 69 4.571 3.615 12.228
557 1HE2 GLN 69 2HE2 GLN 69 2.564 6.403 12.956
558 2HE2 GLN 69 1HE2 GLN 69 3.989 5.801 12.176
559 H ILE 70 H ILE 70 4.055 4.178 7.158
560 HA ILE 70 HA ILE 70 6.057 2.066 6.909
561 HB ILE 70 HB ILE 70 3.791 1.877 5.844
562 HG1 ILE 70 2HG1 ILE 70 6.400 1.594 4.398
563 HG1 ILE 70 QG1 ILE 70 6.400 1.594 4.398
564 1HG2 ILE 70 2HG2 ILE 70 3.877 4.376 5.136
565 2HG2 ILE 70 3HG2 ILE 70 4.775 3.765 3.725
566 3HG2 ILE 70 1HG2 ILE 70 3.126 3.179 4.052
567 1HD1 ILE 70 3HD1 ILE 70 5.597 -0.014 6.187
568 2HD1 ILE 70 1HD1 ILE 70 4.211 -0.399 5.137
569 3HD1 ILE 70 2HD1 ILE 70 5.866 -0.770 4.599
570 H LYS 71 H LYS 71 5.337 5.479 6.116
571 HA LYS 71 HA LYS 71 7.642 5.789 4.481
572 HB LYS 71 2HB LYS 71 6.730 8.285 5.538
573 HB LYS 71 QB LYS 71 6.730 8.285 5.538
574 HG LYS 71 2HG LYS 71 5.697 7.310 2.918
575 HG LYS 71 QG LYS 71 5.697 7.310 2.918
576 HD LYS 71 2HD LYS 71 7.193 9.690 4.032
577 HD LYS 71 QD LYS 71 7.193 9.690 4.032
578 HE LYS 71 2HE LYS 71 7.118 8.762 1.138
579 HE LYS 71 QE LYS 71 7.118 8.762 1.138
580 1HZ LYS 71 1HZ LYS 71 8.021 11.320 1.122
581 2HZ LYS 71 2HZ LYS 71 6.533 10.874 0.635
582 H GLN 72 H GLN 72 7.001 5.707 7.919
583 HA GLN 72 HA GLN 72 9.229 7.289 8.634
584 HB GLN 72 2HB GLN 72 7.161 5.657 10.023
585 HB GLN 72 QB GLN 72 7.161 5.657 10.023
586 HG GLN 72 2HG GLN 72 9.992 5.687 10.893
587 HG GLN 72 QG GLN 72 9.992 5.687 10.893
588 1HE2 GLN 72 2HE2 GLN 72 9.723 6.681 14.315
589 2HE2 GLN 72 1HE2 GLN 72 10.409 5.492 13.257
590 H ILE 73 H ILE 73 8.612 3.838 7.985
591 HA ILE 73 HA ILE 73 11.490 3.385 8.289
592 HB ILE 73 HB ILE 73 9.617 1.196 9.028
593 HG1 ILE 73 2HG1 ILE 73 10.035 3.692 10.642
594 HG1 ILE 73 QG1 ILE 73 10.035 3.692 10.642
595 1HG2 ILE 73 2HG2 ILE 73 12.115 0.954 8.826
596 2HG2 ILE 73 3HG2 ILE 73 12.262 2.030 10.236
597 3HG2 ILE 73 1HG2 ILE 73 11.423 0.469 10.391
598 1HD1 ILE 73 1HD1 ILE 73 7.778 1.783 9.963
599 2HD1 ILE 73 2HD1 ILE 73 7.667 2.855 11.380
600 3HD1 ILE 73 3HD1 ILE 73 7.847 3.550 9.750
601 H GLY 74 H GLY 74 9.918 4.116 5.944
602 1HA GLY 74 1HA GLY 74 10.454 1.708 4.348
603 2HA GLY 74 2HA GLY 74 8.872 2.454 4.251
604 H GLY 75 H GLY 75 11.132 4.884 4.984
605 1HA GLY 75 1HA GLY 75 12.151 6.495 3.789
606 2HA GLY 75 2HA GLY 75 12.324 5.358 2.468
607 H GLU 76 H GLU 76 9.926 4.769 1.476
608 HA GLU 76 HA GLU 76 8.377 7.201 1.333
609 HB GLU 76 2HB GLU 76 8.495 7.416 -1.051
610 HB GLU 76 QB GLU 76 8.495 7.416 -1.051
611 HG GLU 76 2HG GLU 76 11.052 7.400 -1.487
612 HG GLU 76 QG GLU 76 11.052 7.400 -1.487
613 HE1 GLU 76 HE GLU 76 8.646 9.294 -0.158
614 H MET 77 H MET 77 6.174 6.843 0.628
615 HA MET 77 HA MET 77 5.493 4.010 0.698
616 HB MET 77 2HB MET 77 3.618 6.379 1.179
617 HB MET 77 QB MET 77 3.618 6.379 1.179
618 HG MET 77 2HG MET 77 2.409 4.694 2.589
619 HG MET 77 QG MET 77 2.409 4.694 2.589
620 1HE MET 77 2HE MET 77 1.730 2.077 1.604
621 2HE MET 77 3HE MET 77 0.271 3.066 1.354
622 3HE MET 77 1HE MET 77 0.890 2.043 0.035
623 H VAL 78 H VAL 78 4.605 3.070 -1.101
624 HA VAL 78 HA VAL 78 3.482 4.892 -3.114
625 HB VAL 78 HB VAL 78 5.727 3.065 -3.278
626 1HG1 VAL 78 1HG1 VAL 78 3.717 1.660 -4.156
627 2HG1 VAL 78 2HG1 VAL 78 3.793 2.743 -5.566
628 3HG1 VAL 78 3HG1 VAL 78 5.204 1.750 -5.129
629 1HG2 VAL 78 1HG2 VAL 78 5.361 5.534 -4.068
630 2HG2 VAL 78 2HG2 VAL 78 6.377 4.435 -5.033
631 3HG2 VAL 78 3HG2 VAL 78 4.701 4.770 -5.534
632 H VAL 79 H VAL 79 1.847 3.840 -4.539
633 HA VAL 79 HA VAL 79 0.817 1.303 -3.832
634 HB VAL 79 HB VAL 79 0.133 2.704 -1.868
635 1HG1 VAL 79 3HG1 VAL 79 -0.269 4.805 -3.136
636 2HG1 VAL 79 1HG1 VAL 79 -1.706 4.055 -3.872
637 3HG1 VAL 79 2HG1 VAL 79 -1.647 4.333 -2.114
638 1HG2 VAL 79 1HG2 VAL 79 -2.018 1.472 -3.618
639 2HG2 VAL 79 2HG2 VAL 79 -1.064 0.674 -2.345
640 3HG2 VAL 79 3HG2 VAL 79 -2.252 1.927 -1.913
641 H CYS 80 H CYS 80 0.352 0.616 -5.855
642 HA CYS 80 HA CYS 80 -1.129 2.492 -7.545
643 HB CYS 80 2HB CYS 80 1.076 2.469 -8.467
644 HB CYS 80 QB CYS 80 1.076 2.469 -8.467
645 HG CYS 80 HG CYS 80 0.698 -0.682 -7.720
646 H ALA 81 H ALA 81 -1.697 0.716 -9.655
647 HA ALA 81 HA ALA 81 -2.933 -1.022 -10.268
648 1HB ALA 81 2HB ALA 81 -1.275 -2.147 -8.444
649 2HB ALA 81 3HB ALA 81 -2.837 -2.428 -7.638
650 3HB ALA 81 1HB ALA 81 -2.558 -3.052 -9.282
651 H ILE 82 H ILE 82 -4.077 1.375 -9.269
652 HA ILE 82 HA ILE 82 -6.137 0.702 -7.404
653 HB ILE 82 HB ILE 82 -4.955 2.948 -7.774
654 HG1 ILE 82 2HG1 ILE 82 -7.896 2.528 -7.310
655 HG1 ILE 82 QG1 ILE 82 -7.896 2.528 -7.310
656 1HG2 ILE 82 3HG2 ILE 82 -6.097 2.673 -10.327
657 2HG2 ILE 82 1HG2 ILE 82 -7.021 3.958 -9.514
658 3HG2 ILE 82 2HG2 ILE 82 -5.252 4.088 -9.653
659 1HD1 ILE 82 1HD1 ILE 82 -6.117 1.883 -5.611
660 2HD1 ILE 82 2HD1 ILE 82 -5.666 3.603 -5.530
661 3HD1 ILE 82 3HD1 ILE 82 -7.293 3.085 -5.028
662 H SER 83 H SER 83 -8.094 2.415 -9.096
663 HA SER 83 HA SER 83 -8.655 1.031 -11.412
664 HB SER 83 2HB SER 83 -9.257 -0.569 -9.222
665 HB SER 83 QB SER 83 -9.257 -0.569 -9.222
666 HG SER 83 HG SER 83 -11.708 -0.623 -9.523
667 HA PRO 84 HA PRO 84 -11.523 4.301 -11.574
668 HB PRO 84 2HB PRO 84 -11.845 4.061 -13.841
669 HB PRO 84 QB PRO 84 -11.845 4.061 -13.841
670 HG PRO 84 2HG PRO 84 -11.424 1.944 -14.655
671 HG PRO 84 QG PRO 84 -11.424 1.944 -14.655
672 HD PRO 84 2HD PRO 84 -9.977 1.168 -13.046
673 HD PRO 84 QD PRO 84 -9.977 1.168 -13.046
674 H ALA 85 H ALA 85 -12.275 1.528 -10.029
675 HA ALA 85 HA ALA 85 -14.679 2.806 -8.945
676 1HB ALA 85 3HB ALA 85 -14.345 -0.088 -9.824
677 2HB ALA 85 1HB ALA 85 -15.683 0.493 -8.805
678 3HB ALA 85 2HB ALA 85 -15.494 1.111 -10.464
679 H VAL 86 H VAL 86 -11.778 2.698 -8.152
680 HA VAL 86 HA VAL 86 -12.253 1.579 -5.501
681 HB VAL 86 HB VAL 86 -10.113 0.805 -7.439
682 1HG1 VAL 86 1HG1 VAL 86 -9.648 1.540 -4.644
683 2HG1 VAL 86 2HG1 VAL 86 -9.170 -0.136 -5.007
684 3HG1 VAL 86 3HG1 VAL 86 -8.486 1.209 -5.951
685 1HG2 VAL 86 1HG2 VAL 86 -12.234 -0.553 -6.730
686 2HG2 VAL 86 2HG2 VAL 86 -10.661 -1.376 -6.863
687 3HG2 VAL 86 3HG2 VAL 86 -11.289 -0.910 -5.265
688 H LYS 87 H LYS 87 -10.473 3.711 -7.756
689 HA LYS 87 HA LYS 87 -9.030 5.038 -5.704
690 HB LYS 87 2HB LYS 87 -8.848 4.865 -8.436
691 HB LYS 87 QB LYS 87 -8.848 4.865 -8.436
692 HG LYS 87 2HG LYS 87 -8.918 7.448 -8.969
693 HG LYS 87 QG LYS 87 -8.918 7.448 -8.969
694 HD LYS 87 2HD LYS 87 -10.649 5.320 -9.524
695 HD LYS 87 QD LYS 87 -10.649 5.320 -9.524
696 HE LYS 87 2HE LYS 87 -12.040 7.318 -7.873
697 HE LYS 87 QE LYS 87 -12.040 7.318 -7.873
698 1HZ LYS 87 1HZ LYS 87 -14.002 7.182 -9.524
699 2HZ LYS 87 2HZ LYS 87 -12.859 8.304 -9.814
700 H ARG 88 H ARG 88 -12.325 4.946 -6.513
701 HA ARG 88 HA ARG 88 -12.922 7.658 -6.160
702 HB ARG 88 2HB ARG 88 -14.361 5.743 -7.220
703 HB ARG 88 QB ARG 88 -14.361 5.743 -7.220
704 HG ARG 88 2HG ARG 88 -16.097 4.922 -5.502
705 HG ARG 88 QG ARG 88 -16.097 4.922 -5.502
706 HD ARG 88 2HD ARG 88 -13.464 3.736 -4.695
707 HD ARG 88 QD ARG 88 -13.464 3.736 -4.695
708 HE ARG 88 HE ARG 88 -15.004 2.009 -4.469
709 1HH1 ARG 88 2HH2 ARG 88 -15.967 3.965 -7.262
710 2HH1 ARG 88 1HH2 ARG 88 -17.328 2.967 -7.648
711 HH2 ARG 88 1HH ARG 88 -17.799 1.047 -6.292
712 H LEU 89 H LEU 89 -12.174 4.995 -4.006
713 HA LEU 89 HA LEU 89 -13.595 5.848 -1.740
714 HB LEU 89 2HB LEU 89 -11.268 4.518 -0.906
715 HB LEU 89 QB LEU 89 -11.268 4.518 -0.906
716 HG LEU 89 HG LEU 89 -13.758 3.037 -1.731
717 1HD1 LEU 89 2HD1 LEU 89 -11.642 1.921 -0.797
718 2HD1 LEU 89 3HD1 LEU 89 -12.101 2.655 0.758
719 3HD1 LEU 89 1HD1 LEU 89 -13.204 1.514 -0.047
720 1HD2 LEU 89 1HD2 LEU 89 -13.521 5.177 0.304
721 2HD2 LEU 89 2HD2 LEU 89 -14.941 4.581 -0.589
722 3HD2 LEU 89 3HD2 LEU 89 -14.337 3.683 0.824
723 H PHE 90 H PHE 90 -10.259 6.519 -2.957
724 HA PHE 90 HA PHE 90 -9.787 8.292 -0.733
725 HB PHE 90 2HB PHE 90 -7.559 8.440 -1.804
726 HB PHE 90 QB PHE 90 -7.559 8.440 -1.804
727 HD1 PHE 90 1HD PHE 90 -8.769 5.458 -3.577
728 HD2 PHE 90 2HD PHE 90 -6.964 6.933 -0.031
729 HE1 PHE 90 1HE PHE 90 -8.148 3.116 -2.920
730 HE2 PHE 90 2HE PHE 90 -6.343 4.592 0.627
731 HZ PHE 90 HZ PHE 90 -6.942 2.711 -0.825
732 H ASP 91 H ASP 91 -11.050 8.437 -3.998
733 HA ASP 91 HA ASP 91 -10.293 11.078 -4.533
734 HB ASP 91 2HB ASP 91 -12.834 10.244 -5.758
735 HB ASP 91 QB ASP 91 -12.834 10.244 -5.758
736 HD2 ASP 91 HD ASP 91 -12.137 12.079 -7.845
737 H MET 92 H MET 92 -13.026 9.453 -2.883
738 HA MET 92 HA MET 92 -14.549 11.872 -2.738
739 HB MET 92 2HB MET 92 -14.916 9.154 -1.356
740 HB MET 92 QB MET 92 -14.916 9.154 -1.356
741 HG MET 92 2HG MET 92 -16.777 11.531 -1.798
742 HG MET 92 QG MET 92 -16.777 11.531 -1.798
743 1HE MET 92 2HE MET 92 -18.820 11.423 -2.417
744 2HE MET 92 3HE MET 92 -20.002 10.093 -2.364
745 3HE MET 92 1HE MET 92 -19.627 11.010 -0.885
746 H SER 93 H SER 93 -12.367 9.931 -0.674
747 HA SER 93 HA SER 93 -13.045 11.166 1.725
748 HB SER 93 2HB SER 93 -10.402 9.892 0.885
749 HB SER 93 QB SER 93 -10.402 9.892 0.885
750 HG SER 93 HG SER 93 -10.950 11.174 3.123
751 H GLY 94 H GLY 94 -10.499 11.825 -0.763
752 1HA GLY 94 1HA GLY 94 -9.738 13.932 -1.338
753 2HA GLY 94 2HA GLY 94 -10.377 14.596 0.152
754 H LEU 95 H LEU 95 -8.962 11.799 1.197
755 HA LEU 95 HA LEU 95 -6.530 13.231 1.913
756 HB LEU 95 2HB LEU 95 -7.375 10.568 3.003
757 HB LEU 95 QB LEU 95 -7.375 10.568 3.003
758 HG LEU 95 HG LEU 95 -5.387 11.114 4.041
759 1HD1 LEU 95 1HD1 LEU 95 -6.234 14.014 3.888
760 2HD1 LEU 95 2HD1 LEU 95 -4.810 13.446 4.794
761 3HD1 LEU 95 3HD1 LEU 95 -4.896 13.210 3.032
762 1HD2 LEU 95 3HD2 LEU 95 -7.504 12.454 5.744
763 2HD2 LEU 95 1HD2 LEU 95 -7.089 10.723 5.727
764 3HD2 LEU 95 2HD2 LEU 95 -5.905 11.916 6.310
765 H PHE 96 H PHE 96 -7.393 11.694 -0.747
766 HA PHE 96 HA PHE 96 -5.885 9.465 -1.093
767 HB PHE 96 2HB PHE 96 -5.746 11.524 -3.269
768 HB PHE 96 QB PHE 96 -5.746 11.524 -3.269
769 HD1 PHE 96 1HD PHE 96 -5.206 8.410 -2.533
770 HD2 PHE 96 2HD PHE 96 -8.020 10.545 -4.885
771 HE1 PHE 96 1HE PHE 96 -5.533 6.384 -3.979
772 HE2 PHE 96 2HE PHE 96 -8.348 8.519 -6.331
773 HZ PHE 96 HZ PHE 96 -7.100 6.464 -5.861
774 H LYS 97 H LYS 97 -4.804 12.861 -0.905
775 HA LYS 97 HA LYS 97 -2.266 12.477 -2.023
776 HB LYS 97 2HB LYS 97 -1.759 14.637 -1.160
777 HB LYS 97 QB LYS 97 -1.759 14.637 -1.160
778 HG LYS 97 2HG LYS 97 -4.782 14.705 -1.483
779 HG LYS 97 QG LYS 97 -4.782 14.705 -1.483
780 HD LYS 97 2HD LYS 97 -2.842 16.505 -2.910
781 HD LYS 97 QD LYS 97 -2.842 16.505 -2.910
782 HE LYS 97 2HE LYS 97 -4.667 18.179 -2.203
783 HE LYS 97 QE LYS 97 -4.667 18.179 -2.203
784 1HZ LYS 97 1HZ LYS 97 -5.015 15.928 -4.034
785 2HZ LYS 97 2HZ LYS 97 -6.345 16.816 -3.725
786 H ILE 98 H ILE 98 -3.688 11.509 1.020
787 HA ILE 98 HA ILE 98 -1.140 11.279 2.346
788 HB ILE 98 HB ILE 98 -3.752 11.603 3.161
789 HG1 ILE 98 2HG1 ILE 98 -2.621 12.319 4.933
790 HG1 ILE 98 QG1 ILE 98 -2.621 12.319 4.933
791 1HG2 ILE 98 1HG2 ILE 98 -2.883 8.768 3.783
792 2HG2 ILE 98 2HG2 ILE 98 -4.217 9.629 4.590
793 3HG2 ILE 98 3HG2 ILE 98 -4.309 9.279 2.848
794 1HD1 ILE 98 3HD1 ILE 98 -1.755 9.412 5.274
795 2HD1 ILE 98 1HD1 ILE 98 -1.424 10.701 6.457
796 3HD1 ILE 98 2HD1 ILE 98 -3.104 10.228 6.102
797 H ILE 99 H ILE 99 -2.889 9.537 -0.009
798 HA ILE 99 HA ILE 99 -1.497 7.069 0.774
799 HB ILE 99 HB ILE 99 -4.145 7.517 -0.584
800 HG1 ILE 99 2HG1 ILE 99 -4.896 5.920 1.200
801 HG1 ILE 99 QG1 ILE 99 -4.896 5.920 1.200
802 1HG2 ILE 99 1HG2 ILE 99 -2.832 5.868 -1.887
803 2HG2 ILE 99 2HG2 ILE 99 -2.650 4.887 -0.413
804 3HG2 ILE 99 3HG2 ILE 99 -4.266 5.165 -1.104
805 1HD1 ILE 99 2HD1 ILE 99 -2.435 5.118 1.600
806 2HD1 ILE 99 3HD1 ILE 99 -2.283 6.593 2.586
807 3HD1 ILE 99 1HD1 ILE 99 -3.487 5.354 3.016
808 H ARG 100 H ARG 100 -1.688 9.708 -1.415
809 HA ARG 100 HA ARG 100 -1.061 9.969 -3.519
810 HB ARG 100 2HB ARG 100 1.507 8.535 -2.814
811 HB ARG 100 QB ARG 100 1.507 8.535 -2.814
812 HG ARG 100 2HG ARG 100 1.395 11.439 -3.495
813 HG ARG 100 QG ARG 100 1.395 11.439 -3.495
814 HD ARG 100 2HD ARG 100 3.016 10.084 -5.320
815 HD ARG 100 QD ARG 100 3.016 10.084 -5.320
816 HE ARG 100 HE ARG 100 4.228 10.836 -2.741
817 1HH1 ARG 100 2HH2 ARG 100 2.982 11.997 -5.848
818 2HH1 ARG 100 1HH2 ARG 100 3.855 13.492 -5.780
819 HH2 ARG 100 1HH ARG 100 5.258 13.948 -3.892
820 H PHE 101 H PHE 101 -2.402 8.550 -4.787
821 HA PHE 101 HA PHE 101 -1.228 5.927 -5.354
822 HB PHE 101 2HB PHE 101 -3.903 6.572 -6.451
823 HB PHE 101 QB PHE 101 -3.903 6.572 -6.451
824 HD1 PHE 101 2HD PHE 101 -3.164 4.232 -7.221
825 HD2 PHE 101 1HD PHE 101 -4.081 5.170 -3.186
826 HE1 PHE 101 2HE PHE 101 -3.520 1.795 -6.737
827 HE2 PHE 101 1HE PHE 101 -4.437 2.733 -2.700
828 HZ PHE 101 HZ PHE 101 -4.152 1.074 -4.481
829 H GLU 102 H GLU 102 -1.801 5.164 -7.723
830 HA GLU 102 HA GLU 102 -1.750 7.355 -9.581
831 HB GLU 102 2HB GLU 102 0.378 5.357 -10.148
832 HB GLU 102 QB GLU 102 0.378 5.357 -10.148
833 HG GLU 102 2HG GLU 102 1.348 8.022 -10.146
834 HG GLU 102 QG GLU 102 1.348 8.022 -10.146
835 HE1 GLU 102 HE GLU 102 -0.344 7.194 -13.299
836 H GLN 103 H GLN 103 -0.609 5.284 -11.615
837 HA GLN 103 HA GLN 103 -2.596 3.248 -11.600
838 HB GLN 103 2HB GLN 103 -3.547 3.930 -13.852
839 HB GLN 103 QB GLN 103 -3.547 3.930 -13.852
840 HG GLN 103 2HG GLN 103 -3.968 5.988 -11.634
841 HG GLN 103 QG GLN 103 -3.968 5.988 -11.634
842 1HE2 GLN 103 2HE2 GLN 103 -7.224 6.684 -13.003
843 2HE2 GLN 103 1HE2 GLN 103 -6.403 6.370 -11.511
844 H SER 104 H SER 104 -1.048 1.652 -11.867
845 HA SER 104 HA SER 104 0.571 0.493 -12.740
846 HB SER 104 2HB SER 104 -0.706 1.653 -15.235
847 HB SER 104 QB SER 104 -0.706 1.653 -15.235
848 HG SER 104 HG SER 104 0.637 -0.548 -15.911
849 H GLU 105 H GLU 105 0.542 3.543 -14.741
850 HA GLU 105 HA GLU 105 3.078 3.727 -15.421
851 HB GLU 105 2HB GLU 105 1.486 6.055 -14.258
852 HB GLU 105 QB GLU 105 1.486 6.055 -14.258
853 HG GLU 105 2HG GLU 105 4.040 5.827 -15.717
854 HG GLU 105 QG GLU 105 4.040 5.827 -15.717
855 HE2 GLU 105 HE GLU 105 2.870 6.921 -18.786
856 H GLN 106 H GLN 106 1.813 3.987 -12.126
857 HA GLN 106 HA GLN 106 4.122 5.198 -11.060
858 HB GLN 106 2HB GLN 106 1.632 3.914 -9.977
859 HB GLN 106 QB GLN 106 1.632 3.914 -9.977
860 HG GLN 106 2HG GLN 106 4.244 4.248 -8.474
861 HG GLN 106 QG GLN 106 4.244 4.248 -8.474
862 1HE2 GLN 106 2HE2 GLN 106 2.224 6.464 -6.447
863 2HE2 GLN 106 1HE2 GLN 106 3.159 6.439 -7.905
864 H GLN 107 H GLN 107 3.247 1.950 -12.020
865 HA GLN 107 HA GLN 107 4.427 0.257 -10.433
866 HB GLN 107 2HB GLN 107 4.881 0.402 -13.445
867 HB GLN 107 QB GLN 107 4.881 0.402 -13.445
868 HG GLN 107 2HG GLN 107 6.394 -1.222 -12.153
869 HG GLN 107 QG GLN 107 6.394 -1.222 -12.153
870 1HE2 GLN 107 2HE2 GLN 107 4.184 -4.296 -11.170
871 2HE2 GLN 107 1HE2 GLN 107 4.878 -3.884 -12.703
872 H ALA 108 H ALA 108 6.128 2.773 -12.289
873 HA ALA 108 HA ALA 108 8.722 1.690 -11.642
874 1HB ALA 108 2HB ALA 108 7.893 3.047 -13.759
875 2HB ALA 108 3HB ALA 108 8.244 4.456 -12.730
876 3HB ALA 108 1HB ALA 108 9.534 3.292 -13.115
877 H LEU 109 H LEU 109 7.005 4.832 -10.979
878 HA LEU 109 HA LEU 109 8.783 5.623 -8.987
879 HB LEU 109 2HB LEU 109 6.191 6.704 -8.505
880 HB LEU 109 QB LEU 109 6.191 6.704 -8.505
881 HG LEU 109 HG LEU 109 8.770 7.697 -9.620
882 1HD1 LEU 109 1HD1 LEU 109 6.771 8.415 -11.144
883 2HD1 LEU 109 2HD1 LEU 109 6.394 9.520 -9.800
884 3HD1 LEU 109 3HD1 LEU 109 7.974 9.617 -10.616
885 1HD2 LEU 109 2HD2 LEU 109 6.869 8.582 -7.440
886 2HD2 LEU 109 3HD2 LEU 109 8.486 7.860 -7.266
887 3HD2 LEU 109 1HD2 LEU 109 8.312 9.503 -7.926
888 H LEU 110 H LEU 110 6.398 3.125 -9.034
889 HA LEU 110 HA LEU 110 5.526 3.185 -6.393
890 HB LEU 110 2HB LEU 110 5.539 1.324 -8.648
891 HB LEU 110 QB LEU 110 5.539 1.324 -8.648
892 HG LEU 110 HG LEU 110 5.935 0.248 -5.928
893 1HD1 LEU 110 1HD1 LEU 110 3.380 0.177 -6.438
894 2HD1 LEU 110 2HD1 LEU 110 3.827 -1.128 -7.564
895 3HD1 LEU 110 3HD1 LEU 110 4.204 -1.280 -5.831
896 1HD2 LEU 110 1HD2 LEU 110 7.236 -0.211 -8.119
897 2HD2 LEU 110 2HD2 LEU 110 6.854 -1.572 -7.038
898 3HD2 LEU 110 3HD2 LEU 110 5.883 -1.301 -8.505
899 H THR 111 H THR 111 8.521 1.944 -7.910
900 HA THR 111 HA THR 111 9.446 0.481 -5.708
901 HB THR 111 HB THR 111 10.465 1.596 -8.281
902 HG1 THR 111 1HG THR 111 10.391 -0.610 -8.400
903 1HG2 THR 111 2HG2 THR 111 12.196 2.378 -6.523
904 2HG2 THR 111 3HG2 THR 111 12.428 0.656 -6.136
905 3HG2 THR 111 1HG2 THR 111 12.809 1.261 -7.765
906 H LEU 112 H LEU 112 8.605 3.683 -5.724
907 HA LEU 112 HA LEU 112 8.850 4.926 -3.781
908 HB LEU 112 2HB LEU 112 10.595 2.990 -3.105
909 HB LEU 112 QB LEU 112 10.595 2.990 -3.105
910 HG LEU 112 HG LEU 112 12.305 4.993 -4.215
911 1HD1 LEU 112 1HD1 LEU 112 12.108 5.038 -1.233
912 2HD1 LEU 112 2HD1 LEU 112 13.715 5.167 -1.988
913 3HD1 LEU 112 3HD1 LEU 112 12.448 6.354 -2.383
914 1HD2 LEU 112 2HD2 LEU 112 12.547 2.340 -2.885
915 2HD2 LEU 112 3HD2 LEU 112 13.115 2.887 -4.481
916 3HD2 LEU 112 1HD2 LEU 112 14.015 3.337 -3.013
917 H GLY 113 H GLY 113 9.610 5.012 -6.810
918 1HA GLY 113 1HA GLY 113 10.094 6.751 -8.177
919 2HA GLY 113 2HA GLY 113 10.422 7.759 -6.781
920 H VAL 114 H VAL 114 12.223 5.057 -6.141
921 HA VAL 114 HA VAL 114 14.519 6.060 -7.681
922 HB VAL 114 HB VAL 114 14.710 4.887 -4.916
923 1HG1 VAL 114 3HG1 VAL 114 16.594 5.655 -6.852
924 2HG1 VAL 114 1HG1 VAL 114 16.620 6.951 -5.631
925 3HG1 VAL 114 2HG1 VAL 114 16.900 5.263 -5.142
926 1HG2 VAL 114 1HG2 VAL 114 13.940 7.681 -5.708
927 2HG2 VAL 114 2HG2 VAL 114 13.359 6.677 -4.358
928 3HG2 VAL 114 3HG2 VAL 114 14.970 7.428 -4.277
929 H ALA 115 H ALA 115 15.938 3.738 -6.069
930 HA ALA 115 HA ALA 115 16.719 1.783 -6.875
931 1HB ALA 115 2HB ALA 115 14.122 1.589 -5.615
932 2HB ALA 115 3HB ALA 115 14.311 0.282 -6.807
933 3HB ALA 115 1HB ALA 115 15.508 0.479 -5.505
934 H SER 116 H SER 116 16.161 3.548 -9.049
935 HA SER 116 HA SER 116 15.909 3.555 -11.204
936 HB SER 116 2HB SER 116 16.128 0.525 -10.936
937 HB SER 116 QB SER 116 16.128 0.525 -10.936
938 HG SER 116 HG SER 116 16.183 2.284 -13.215
No H/Q in entry = 795
Start of MODEL 12
1 H SER 1 H SER 1 -11.953 -15.818 2.059
2 HA SER 1 HA SER 1 -10.162 -15.762 0.591
3 HB SER 1 2HB SER 1 -12.253 -15.446 -0.585
4 HB SER 1 QB SER 1 -12.253 -15.446 -0.585
5 HG SER 1 HG SER 1 -13.218 -13.685 0.438
6 H LEU 2 H LEU 2 -8.360 -14.620 -0.387
7 HA LEU 2 HA LEU 2 -7.624 -12.209 -0.695
8 HB LEU 2 2HB LEU 2 -7.914 -12.476 2.286
9 HB LEU 2 QB LEU 2 -7.914 -12.476 2.286
10 HG LEU 2 HG LEU 2 -5.626 -11.407 1.376
11 1HD1 LEU 2 1HD1 LEU 2 -7.731 -9.443 0.703
12 2HD1 LEU 2 2HD1 LEU 2 -6.315 -8.795 1.563
13 3HD1 LEU 2 3HD1 LEU 2 -6.099 -9.668 0.027
14 1HD2 LEU 2 2HD2 LEU 2 -7.404 -10.575 3.657
15 2HD2 LEU 2 3HD2 LEU 2 -5.927 -11.569 3.675
16 3HD2 LEU 2 1HD2 LEU 2 -5.815 -9.814 3.403
17 H GLY 3 H GLY 3 -5.431 -12.095 -1.149
18 1HA GLY 3 1HA GLY 3 -3.872 -14.451 -0.292
19 2HA GLY 3 2HA GLY 3 -3.652 -13.559 -1.784
20 H ILE 4 H ILE 4 -1.371 -13.274 -1.226
21 HA ILE 4 HA ILE 4 -0.801 -10.812 -0.131
22 HB ILE 4 HB ILE 4 -1.520 -12.315 1.938
23 HG1 ILE 4 2HG1 ILE 4 0.259 -10.881 3.251
24 HG1 ILE 4 QG1 ILE 4 0.259 -10.881 3.251
25 1HG2 ILE 4 1HG2 ILE 4 0.266 -14.009 1.379
26 2HG2 ILE 4 2HG2 ILE 4 1.466 -12.787 1.866
27 3HG2 ILE 4 3HG2 ILE 4 0.279 -13.390 3.048
28 1HD1 ILE 4 3HD1 ILE 4 1.575 -10.489 1.066
29 2HD1 ILE 4 1HD1 ILE 4 0.219 -9.451 0.566
30 3HD1 ILE 4 2HD1 ILE 4 1.166 -9.041 2.016
31 H ASP 5 H ASP 5 1.228 -10.224 -0.821
32 HA ASP 5 HA ASP 5 3.091 -12.363 -1.358
33 HB ASP 5 2HB ASP 5 3.106 -10.366 -3.513
34 HB ASP 5 QB ASP 5 3.106 -10.366 -3.513
35 HD2 ASP 5 HD ASP 5 2.439 -13.739 -5.139
36 H MET 6 H MET 6 5.317 -11.583 -1.291
37 HA MET 6 HA MET 6 5.609 -8.729 -0.845
38 HB MET 6 2HB MET 6 7.175 -9.287 1.090
39 HB MET 6 QB MET 6 7.175 -9.287 1.090
40 HG MET 6 2HG MET 6 4.235 -9.999 1.144
41 HG MET 6 QG MET 6 4.235 -9.999 1.144
42 1HE MET 6 1HE MET 6 7.133 -9.171 3.475
43 2HE MET 6 2HE MET 6 7.111 -10.456 4.707
44 3HE MET 6 3HE MET 6 7.660 -10.818 3.054
45 H ASN 7 H ASN 7 7.494 -7.853 -1.724
46 HA ASN 7 HA ASN 7 9.469 -9.775 -2.637
47 HB ASN 7 2HB ASN 7 9.277 -7.594 -4.543
48 HB ASN 7 QB ASN 7 9.277 -7.594 -4.543
49 1HD2 ASN 7 2HD2 ASN 7 10.661 -10.304 -6.245
50 2HD2 ASN 7 1HD2 ASN 7 10.897 -8.780 -5.457
51 H VAL 8 H VAL 8 11.579 -8.522 -3.291
52 HA VAL 8 HA VAL 8 11.770 -6.010 -1.784
53 HB VAL 8 HB VAL 8 12.937 -8.510 -1.147
54 1HG1 VAL 8 2HG1 VAL 8 14.976 -6.465 -2.088
55 2HG1 VAL 8 3HG1 VAL 8 15.348 -7.902 -1.106
56 3HG1 VAL 8 1HG1 VAL 8 14.705 -8.093 -2.755
57 1HG2 VAL 8 2HG2 VAL 8 12.202 -6.325 0.198
58 2HG2 VAL 8 3HG2 VAL 8 13.379 -7.490 0.854
59 3HG2 VAL 8 1HG2 VAL 8 13.946 -5.984 0.092
60 H LYS 9 H LYS 9 13.036 -4.398 -2.738
61 HA LYS 9 HA LYS 9 14.546 -5.091 -5.109
62 HB LYS 9 2HB LYS 9 13.209 -4.189 -6.661
63 HB LYS 9 QB LYS 9 13.209 -4.189 -6.661
64 HG LYS 9 2HG LYS 9 10.732 -3.872 -5.828
65 HG LYS 9 QG LYS 9 10.732 -3.872 -5.828
66 HD LYS 9 2HD LYS 9 11.163 -6.602 -5.093
67 HD LYS 9 QD LYS 9 11.163 -6.602 -5.093
68 HE LYS 9 2HE LYS 9 9.921 -5.036 -7.202
69 HE LYS 9 QE LYS 9 9.921 -5.036 -7.202
70 1HZ LYS 9 1HZ LYS 9 11.820 -6.177 -8.457
71 2HZ LYS 9 2HZ LYS 9 11.059 -7.588 -8.172
72 H GLU 10 H GLU 10 16.491 -4.356 -4.384
73 HA GLU 10 HA GLU 10 18.036 -2.974 -3.738
74 HB GLU 10 2HB GLU 10 15.963 -0.991 -4.686
75 HB GLU 10 QB GLU 10 15.963 -0.991 -4.686
76 HG GLU 10 2HG GLU 10 18.343 -0.434 -2.966
77 HG GLU 10 QG GLU 10 18.343 -0.434 -2.966
78 HE2 GLU 10 HE GLU 10 19.580 2.187 -4.085
79 H SER 11 H SER 11 14.811 -2.614 -2.325
80 HA SER 11 HA SER 11 15.494 -2.960 0.205
81 HB SER 11 2HB SER 11 16.652 -1.171 0.948
82 HB SER 11 QB SER 11 16.652 -1.171 0.948
83 HG SER 11 HG SER 11 15.979 0.566 -1.211
84 H VAL 12 H VAL 12 13.464 -2.082 -2.285
85 HA VAL 12 HA VAL 12 11.293 -1.146 -0.593
86 HB VAL 12 HB VAL 12 11.889 -0.145 -2.831
87 1HG1 VAL 12 2HG1 VAL 12 12.142 -2.575 -3.816
88 2HG1 VAL 12 3HG1 VAL 12 10.396 -2.408 -4.119
89 3HG1 VAL 12 1HG1 VAL 12 11.537 -1.243 -4.831
90 1HG2 VAL 12 2HG2 VAL 12 9.696 0.156 -1.672
91 2HG2 VAL 12 3HG2 VAL 12 9.590 0.259 -3.446
92 3HG2 VAL 12 1HG2 VAL 12 9.059 -1.218 -2.608
93 H LEU 13 H LEU 13 9.820 -2.505 0.287
94 HA LEU 13 HA LEU 13 9.894 -5.277 -0.607
95 HB LEU 13 2HB LEU 13 10.124 -5.325 1.644
96 HB LEU 13 QB LEU 13 10.124 -5.325 1.644
97 HG LEU 13 HG LEU 13 8.695 -3.950 3.244
98 1HD1 LEU 13 1HD1 LEU 13 11.003 -2.963 1.625
99 2HD1 LEU 13 2HD1 LEU 13 10.206 -1.834 2.748
100 3HD1 LEU 13 3HD1 LEU 13 10.896 -3.357 3.358
101 1HD2 LEU 13 1HD2 LEU 13 8.114 -2.510 0.662
102 2HD2 LEU 13 2HD2 LEU 13 6.994 -3.033 1.942
103 3HD2 LEU 13 3HD2 LEU 13 8.090 -1.659 2.226
104 H CYS 14 H CYS 14 8.639 -5.553 -2.405
105 HA CYS 14 HA CYS 14 6.297 -4.029 -2.817
106 HB CYS 14 2HB CYS 14 6.205 -5.013 -4.883
107 HB CYS 14 QB CYS 14 6.205 -5.013 -4.883
108 HG CYS 14 HG CYS 14 8.337 -4.755 -5.917
109 H ILE 15 H ILE 15 4.195 -4.480 -2.171
110 HA ILE 15 HA ILE 15 3.776 -7.101 -0.909
111 HB ILE 15 HB ILE 15 3.204 -4.351 -0.006
112 HG1 ILE 15 2HG1 ILE 15 3.456 -6.911 1.584
113 HG1 ILE 15 QG1 ILE 15 3.456 -6.911 1.584
114 1HG2 ILE 15 3HG2 ILE 15 1.141 -6.529 0.068
115 2HG2 ILE 15 1HG2 ILE 15 1.277 -5.383 1.423
116 3HG2 ILE 15 2HG2 ILE 15 0.948 -4.785 -0.221
117 1HD1 ILE 15 3HD1 ILE 15 5.527 -5.220 0.198
118 2HD1 ILE 15 1HD1 ILE 15 5.892 -5.833 1.828
119 3HD1 ILE 15 2HD1 ILE 15 5.522 -6.972 0.511
120 H ARG 16 H ARG 16 2.907 -8.206 -2.658
121 HA ARG 16 HA ARG 16 0.844 -6.877 -4.148
122 HB ARG 16 2HB ARG 16 1.216 -9.714 -4.795
123 HB ARG 16 QB ARG 16 1.216 -9.714 -4.795
124 HG ARG 16 2HG ARG 16 1.057 -7.108 -6.109
125 HG ARG 16 QG ARG 16 1.057 -7.108 -6.109
126 HD ARG 16 2HD ARG 16 3.348 -8.953 -6.831
127 HD ARG 16 QD ARG 16 3.348 -8.953 -6.831
128 HE ARG 16 HE ARG 16 1.477 -8.249 -8.772
129 1HH1 ARG 16 2HH2 ARG 16 4.876 -7.433 -8.189
130 2HH1 ARG 16 1HH2 ARG 16 5.235 -7.196 -9.867
131 HH2 ARG 16 1HH ARG 16 3.501 -7.497 -11.493
132 H LEU 17 H LEU 17 -1.076 -6.794 -2.951
133 HA LEU 17 HA LEU 17 -1.880 -9.199 -1.519
134 HB LEU 17 2HB LEU 17 -3.765 -7.101 -1.245
135 HB LEU 17 QB LEU 17 -3.765 -7.101 -1.245
136 HG LEU 17 HG LEU 17 -3.285 -7.126 1.033
137 1HD1 LEU 17 2HD1 LEU 17 -3.515 -9.555 -0.327
138 2HD1 LEU 17 3HD1 LEU 17 -2.242 -9.827 0.887
139 3HD1 LEU 17 1HD1 LEU 17 -3.846 -9.245 1.394
140 1HD2 LEU 17 1HD2 LEU 17 -0.484 -7.672 0.172
141 2HD2 LEU 17 2HD2 LEU 17 -1.115 -6.537 1.389
142 3HD2 LEU 17 3HD2 LEU 17 -1.001 -8.273 1.765
143 H THR 18 H THR 18 -3.443 -10.571 -2.235
144 HA THR 18 HA THR 18 -5.076 -9.641 -4.500
145 HB THR 18 HB THR 18 -4.787 -12.190 -5.192
146 HG1 THR 18 1HG THR 18 -3.027 -13.123 -4.137
147 1HG2 THR 18 2HG2 THR 18 -2.491 -10.170 -5.393
148 2HG2 THR 18 3HG2 THR 18 -2.581 -11.683 -6.327
149 3HG2 THR 18 1HG2 THR 18 -3.793 -10.404 -6.584
150 H GLY 19 H GLY 19 -7.144 -9.546 -3.918
151 1HA GLY 19 1HA GLY 19 -8.794 -11.498 -3.227
152 2HA GLY 19 2HA GLY 19 -8.053 -11.173 -1.673
153 H GLU 20 H GLU 20 -9.154 -9.753 -0.405
154 HA GLU 20 HA GLU 20 -10.503 -7.572 -1.787
155 HB GLU 20 2HB GLU 20 -12.087 -8.012 0.452
156 HB GLU 20 QB GLU 20 -12.087 -8.012 0.452
157 HG GLU 20 2HG GLU 20 -12.700 -9.480 -2.115
158 HG GLU 20 QG GLU 20 -12.700 -9.480 -2.115
159 HE2 GLU 20 HE GLU 20 -14.876 -8.990 -2.625
160 H LEU 21 H LEU 21 -10.843 -5.620 -0.406
161 HA LEU 21 HA LEU 21 -8.867 -5.540 1.768
162 HB LEU 21 2HB LEU 21 -9.403 -2.955 0.643
163 HB LEU 21 QB LEU 21 -9.403 -2.955 0.643
164 HG LEU 21 HG LEU 21 -7.149 -2.658 0.642
165 1HD1 LEU 21 1HD1 LEU 21 -8.012 -3.835 2.834
166 2HD1 LEU 21 2HD1 LEU 21 -6.906 -5.129 2.313
167 3HD1 LEU 21 3HD1 LEU 21 -6.282 -3.486 2.596
168 1HD2 LEU 21 3HD2 LEU 21 -7.145 -5.159 -0.802
169 2HD2 LEU 21 1HD2 LEU 21 -5.967 -3.824 -0.830
170 3HD2 LEU 21 2HD2 LEU 21 -5.818 -5.117 0.385
171 H ASP 22 H ASP 22 -10.496 -6.174 3.307
172 HA ASP 22 HA ASP 22 -12.336 -3.975 3.818
173 HB ASP 22 2HB ASP 22 -13.691 -5.810 3.000
174 HB ASP 22 QB ASP 22 -13.691 -5.810 3.000
175 HD2 ASP 22 HD ASP 22 -13.680 -8.115 2.567
176 H HIS 23 H HIS 23 -13.246 -4.449 6.297
177 HA HIS 23 HA HIS 23 -11.093 -4.082 7.969
178 HB HIS 23 2HB HIS 23 -13.638 -3.593 8.246
179 HB HIS 23 QB HIS 23 -13.638 -3.593 8.246
180 HD1 HIS 23 1HD HIS 23 -13.351 -5.740 11.205
181 HD2 HIS 23 2HD HIS 23 -15.213 -5.969 7.453
182 HE1 HIS 23 1HE HIS 23 -15.095 -7.593 11.385
183 H HIS 24 H HIS 24 -12.255 -6.976 6.493
184 HA HIS 24 HA HIS 24 -11.213 -8.672 8.587
185 HB HIS 24 2HB HIS 24 -11.874 -10.460 6.810
186 HB HIS 24 QB HIS 24 -11.874 -10.460 6.810
187 HD1 HIS 24 1HD HIS 24 -12.791 -11.165 9.203
188 HD2 HIS 24 2HD HIS 24 -15.083 -8.293 7.180
189 HE1 HIS 24 1HE HIS 24 -15.039 -11.068 10.406
190 H THR 25 H THR 25 -10.520 -7.798 5.144
191 HA THR 25 HA THR 25 -8.101 -9.356 5.151
192 HB THR 25 HB THR 25 -8.052 -8.767 2.838
193 HG1 THR 25 1HG THR 25 -8.128 -6.433 3.323
194 1HG2 THR 25 1HG2 THR 25 -10.600 -9.436 3.936
195 2HG2 THR 25 2HG2 THR 25 -10.896 -8.092 2.806
196 3HG2 THR 25 3HG2 THR 25 -10.101 -9.579 2.233
197 H ALA 26 H ALA 26 -9.054 -5.978 5.737
198 HA ALA 26 HA ALA 26 -6.615 -4.752 5.401
199 1HB ALA 26 2HB ALA 26 -9.026 -3.881 6.030
200 2HB ALA 26 3HB ALA 26 -8.428 -4.032 7.699
201 3HB ALA 26 1HB ALA 26 -7.586 -2.970 6.545
202 H GLU 27 H GLU 27 -7.941 -6.517 8.267
203 HA GLU 27 HA GLU 27 -5.913 -5.964 10.001
204 HB GLU 27 2HB GLU 27 -6.803 -8.724 10.300
205 HB GLU 27 QB GLU 27 -6.803 -8.724 10.300
206 HG GLU 27 2HG GLU 27 -7.017 -6.092 11.744
207 HG GLU 27 QG GLU 27 -7.017 -6.092 11.744
208 HE2 GLU 27 HE GLU 27 -8.677 -7.223 14.265
209 H THR 28 H THR 28 -6.191 -8.721 7.655
210 HA THR 28 HA THR 28 -3.929 -10.102 8.252
211 HB THR 28 HB THR 28 -5.264 -9.424 5.585
212 HG1 THR 28 1HG THR 28 -6.242 -10.673 7.515
213 1HG2 THR 28 2HG2 THR 28 -2.824 -10.326 5.384
214 2HG2 THR 28 3HG2 THR 28 -3.443 -11.805 6.157
215 3HG2 THR 28 1HG2 THR 28 -4.099 -11.279 4.588
216 H LEU 29 H LEU 29 -4.141 -7.112 6.236
217 HA LEU 29 HA LEU 29 -1.370 -7.103 5.680
218 HB LEU 29 2HB LEU 29 -3.033 -4.625 5.648
219 HB LEU 29 QB LEU 29 -3.033 -4.625 5.648
220 HG LEU 29 HG LEU 29 -1.280 -3.986 4.413
221 1HD1 LEU 29 3HD1 LEU 29 0.086 -5.858 5.189
222 2HD1 LEU 29 1HD1 LEU 29 -0.578 -6.890 3.898
223 3HD1 LEU 29 2HD1 LEU 29 0.423 -5.477 3.483
224 1HD2 LEU 29 1HD2 LEU 29 -2.627 -5.856 2.453
225 2HD2 LEU 29 2HD2 LEU 29 -2.898 -4.110 2.670
226 3HD2 LEU 29 3HD2 LEU 29 -1.355 -4.696 2.003
227 H LYS 30 H LYS 30 -3.400 -5.976 8.361
228 HA LYS 30 HA LYS 30 -1.761 -4.081 9.478
229 HB LYS 30 2HB LYS 30 -3.180 -6.024 11.257
230 HB LYS 30 QB LYS 30 -3.180 -6.024 11.257
231 HG LYS 30 2HG LYS 30 -4.083 -3.734 12.067
232 HG LYS 30 QG LYS 30 -4.083 -3.734 12.067
233 HD LYS 30 2HD LYS 30 -1.986 -3.199 13.290
234 HD LYS 30 QD LYS 30 -1.986 -3.199 13.290
235 HE LYS 30 2HE LYS 30 -1.579 -6.084 13.329
236 HE LYS 30 QE LYS 30 -1.579 -6.084 13.329
237 1HZ LYS 30 1HZ LYS 30 -3.222 -5.164 15.394
238 2HZ LYS 30 2HZ LYS 30 -1.621 -5.461 15.472
239 H GLN 31 H GLN 31 -1.610 -7.677 9.735
240 HA GLN 31 HA GLN 31 0.566 -7.573 11.527
241 HB GLN 31 2HB GLN 31 -1.214 -9.476 11.041
242 HB GLN 31 QB GLN 31 -1.214 -9.476 11.041
243 HG GLN 31 2HG GLN 31 1.089 -10.581 9.418
244 HG GLN 31 QG GLN 31 1.089 -10.581 9.418
245 1HE2 GLN 31 2HE2 GLN 31 -2.855 -11.895 9.453
246 2HE2 GLN 31 1HE2 GLN 31 -2.457 -10.210 9.522
247 H LYS 32 H LYS 32 0.153 -7.719 7.988
248 HA LYS 32 HA LYS 32 2.866 -8.411 7.471
249 HB LYS 32 2HB LYS 32 0.460 -7.650 5.872
250 HB LYS 32 QB LYS 32 0.460 -7.650 5.872
251 HG LYS 32 2HG LYS 32 2.251 -6.227 4.898
252 HG LYS 32 QG LYS 32 2.251 -6.227 4.898
253 HD LYS 32 2HD LYS 32 3.825 -8.706 4.197
254 HD LYS 32 QD LYS 32 3.825 -8.706 4.197
255 HE LYS 32 2HE LYS 32 4.127 -5.767 4.091
256 HE LYS 32 QE LYS 32 4.127 -5.767 4.091
257 1HZ LYS 32 1HZ LYS 32 5.719 -5.928 5.775
258 2HZ LYS 32 2HZ LYS 32 6.199 -7.431 5.370
259 H VAL 33 H VAL 33 1.295 -5.587 8.601
260 HA VAL 33 HA VAL 33 3.180 -3.783 7.337
261 HB VAL 33 HB VAL 33 0.954 -3.321 9.333
262 1HG1 VAL 33 1HG1 VAL 33 3.088 -1.635 8.637
263 2HG1 VAL 33 2HG1 VAL 33 1.694 -1.037 7.705
264 3HG1 VAL 33 3HG1 VAL 33 1.584 -1.184 9.475
265 1HG2 VAL 33 1HG2 VAL 33 0.828 -3.960 6.577
266 2HG2 VAL 33 2HG2 VAL 33 -0.490 -3.405 7.635
267 3HG2 VAL 33 3HG2 VAL 33 0.470 -2.222 6.714
268 H THR 34 H THR 34 2.256 -4.891 10.669
269 HA THR 34 HA THR 34 4.072 -3.529 12.148
270 HB THR 34 HB THR 34 2.489 -4.925 13.264
271 HG1 THR 34 1HG THR 34 4.165 -5.491 14.590
272 1HG2 THR 34 1HG2 THR 34 3.694 -7.283 11.721
273 2HG2 THR 34 2HG2 THR 34 2.418 -7.396 12.956
274 3HG2 THR 34 3HG2 THR 34 2.092 -6.574 11.411
275 H GLN 35 H GLN 35 4.717 -6.236 9.927
276 HA GLN 35 HA GLN 35 7.290 -6.733 10.891
277 HB GLN 35 2HB GLN 35 7.594 -7.915 8.691
278 HB GLN 35 QB GLN 35 7.594 -7.915 8.691
279 HG GLN 35 2HG GLN 35 5.015 -8.312 10.258
280 HG GLN 35 QG GLN 35 5.015 -8.312 10.258
281 1HE2 GLN 35 2HE2 GLN 35 4.430 -9.746 6.865
282 2HE2 GLN 35 1HE2 GLN 35 4.714 -8.172 7.531
283 H SER 36 H SER 36 5.997 -4.655 8.226
284 HA SER 36 HA SER 36 8.603 -3.803 7.505
285 HB SER 36 2HB SER 36 6.221 -2.182 6.703
286 HB SER 36 QB SER 36 6.221 -2.182 6.703
287 HG SER 36 HG SER 36 8.307 -3.535 5.211
288 H LEU 37 H LEU 37 6.137 -2.866 9.825
289 HA LEU 37 HA LEU 37 6.554 -0.178 10.106
290 HB LEU 37 2HB LEU 37 6.281 -1.360 12.688
291 HB LEU 37 QB LEU 37 6.281 -1.360 12.688
292 HG LEU 37 HG LEU 37 4.074 -0.486 12.697
293 1HD1 LEU 37 3HD1 LEU 37 6.017 1.137 12.663
294 2HD1 LEU 37 1HD1 LEU 37 5.614 1.446 10.957
295 3HD1 LEU 37 2HD1 LEU 37 4.426 1.807 12.232
296 1HD2 LEU 37 1HD2 LEU 37 3.275 -1.430 10.597
297 2HD2 LEU 37 2HD2 LEU 37 2.906 0.310 10.693
298 3HD2 LEU 37 3HD2 LEU 37 4.255 -0.260 9.681
299 H GLU 38 H GLU 38 8.641 -2.906 11.028
300 HA GLU 38 HA GLU 38 10.790 -1.088 11.352
301 HB GLU 38 2HB GLU 38 11.360 -1.925 13.699
302 HB GLU 38 QB GLU 38 11.360 -1.925 13.699
303 HG GLU 38 2HG GLU 38 8.701 -0.450 13.634
304 HG GLU 38 QG GLU 38 8.701 -0.450 13.634
305 HE2 GLU 38 HE GLU 38 8.489 0.668 15.545
306 H LYS 39 H LYS 39 11.262 -2.520 9.449
307 HA LYS 39 HA LYS 39 11.676 -5.292 9.893
308 HB LYS 39 2HB LYS 39 11.078 -4.416 7.701
309 HB LYS 39 QB LYS 39 11.078 -4.416 7.701
310 HG LYS 39 2HG LYS 39 12.730 -2.316 8.184
311 HG LYS 39 QG LYS 39 12.730 -2.316 8.184
312 HD LYS 39 2HD LYS 39 14.819 -3.592 8.019
313 HD LYS 39 QD LYS 39 14.819 -3.592 8.019
314 HE LYS 39 2HE LYS 39 13.530 -4.611 5.474
315 HE LYS 39 QE LYS 39 13.530 -4.611 5.474
316 1HZ LYS 39 1HZ LYS 39 15.525 -4.840 4.439
317 2HZ LYS 39 2HZ LYS 39 16.001 -3.574 5.346
318 H ASP 40 H ASP 40 13.768 -2.356 9.832
319 HA ASP 40 HA ASP 40 15.457 -3.066 11.732
320 HB ASP 40 2HB ASP 40 17.441 -3.812 9.971
321 HB ASP 40 QB ASP 40 17.441 -3.812 9.971
322 HD2 ASP 40 HD ASP 40 17.092 -7.107 10.630
323 H ASP 41 H ASP 41 16.705 -2.654 8.360
324 HA ASP 41 HA ASP 41 17.914 -0.212 9.057
325 HB ASP 41 2HB ASP 41 17.435 -1.319 6.256
326 HB ASP 41 QB ASP 41 17.435 -1.319 6.256
327 HD2 ASP 41 HD ASP 41 18.925 -0.720 4.839
328 H ILE 42 H ILE 42 17.036 0.448 5.955
329 HA ILE 42 HA ILE 42 14.405 1.544 6.584
330 HB ILE 42 HB ILE 42 16.888 3.062 6.147
331 HG1 ILE 42 2HG1 ILE 42 15.439 4.807 7.320
332 HG1 ILE 42 QG1 ILE 42 15.439 4.807 7.320
333 1HG2 ILE 42 1HG2 ILE 42 14.450 3.519 4.475
334 2HG2 ILE 42 2HG2 ILE 42 15.347 4.925 5.097
335 3HG2 ILE 42 3HG2 ILE 42 16.172 3.725 4.075
336 1HD1 ILE 42 2HD1 ILE 42 13.303 3.354 6.629
337 2HD1 ILE 42 3HD1 ILE 42 13.700 2.483 8.129
338 3HD1 ILE 42 1HD1 ILE 42 13.352 4.227 8.179
339 H ARG 43 H ARG 43 13.548 -0.115 5.233
340 HA ARG 43 HA ARG 43 14.557 -0.274 2.569
341 HB ARG 43 2HB ARG 43 12.267 -1.783 2.522
342 HB ARG 43 QB ARG 43 12.267 -1.783 2.522
343 HG ARG 43 2HG ARG 43 14.393 -3.113 4.094
344 HG ARG 43 QG ARG 43 14.393 -3.113 4.094
345 HD ARG 43 2HD ARG 43 13.900 -3.660 1.184
346 HD ARG 43 QD ARG 43 13.900 -3.660 1.184
347 HE ARG 43 HE ARG 43 15.140 -5.365 2.350
348 1HH1 ARG 43 2HH2 ARG 43 11.879 -4.928 3.664
349 2HH1 ARG 43 1HH2 ARG 43 11.885 -6.437 4.514
350 HH2 ARG 43 1HH ARG 43 13.818 -7.847 4.387
351 H HIS 44 H HIS 44 12.131 -0.733 1.105
352 HA HIS 44 HA HIS 44 10.761 1.838 1.369
353 HB HIS 44 2HB HIS 44 10.672 1.827 -1.182
354 HB HIS 44 QB HIS 44 10.672 1.827 -1.182
355 HD1 HIS 44 1HD HIS 44 11.576 3.916 0.765
356 HD2 HIS 44 2HD HIS 44 14.278 1.814 -1.658
357 HE1 HIS 44 1HE HIS 44 13.673 5.363 0.611
358 H ILE 45 H ILE 45 8.588 1.826 0.205
359 HA ILE 45 HA ILE 45 7.397 -0.823 0.590
360 HB ILE 45 HB ILE 45 5.550 0.164 1.402
361 HG1 ILE 45 2HG1 ILE 45 4.910 2.589 0.745
362 HG1 ILE 45 QG1 ILE 45 4.910 2.589 0.745
363 1HG2 ILE 45 3HG2 ILE 45 7.666 2.282 1.846
364 2HG2 ILE 45 1HG2 ILE 45 6.101 2.235 2.694
365 3HG2 ILE 45 2HG2 ILE 45 7.263 0.902 2.897
366 1HD1 ILE 45 1HD1 ILE 45 7.354 2.324 -0.698
367 2HD1 ILE 45 2HD1 ILE 45 6.045 2.250 -1.902
368 3HD1 ILE 45 3HD1 ILE 45 6.170 3.648 -0.806
369 H VAL 46 H VAL 46 5.725 -1.526 -0.956
370 HA VAL 46 HA VAL 46 5.556 -0.141 -3.454
371 HB VAL 46 HB VAL 46 7.418 -2.406 -3.057
372 1HG1 VAL 46 3HG1 VAL 46 5.557 -3.465 -4.326
373 2HG1 VAL 46 1HG1 VAL 46 5.744 -2.220 -5.584
374 3HG1 VAL 46 2HG1 VAL 46 7.070 -3.362 -5.258
375 1HG2 VAL 46 1HG2 VAL 46 7.834 0.086 -3.801
376 2HG2 VAL 46 2HG2 VAL 46 8.767 -1.245 -4.527
377 3HG2 VAL 46 3HG2 VAL 46 7.391 -0.539 -5.409
378 H LEU 47 H LEU 47 3.320 -0.150 -2.827
379 HA LEU 47 HA LEU 47 2.064 -2.711 -2.410
380 HB LEU 47 2HB LEU 47 -0.008 -1.197 -2.366
381 HB LEU 47 QB LEU 47 -0.008 -1.197 -2.366
382 HG LEU 47 HG LEU 47 0.640 -1.850 -0.230
383 1HD1 LEU 47 3HD1 LEU 47 3.224 -0.374 -0.743
384 2HD1 LEU 47 1HD1 LEU 47 2.730 -0.904 0.883
385 3HD1 LEU 47 2HD1 LEU 47 2.971 -2.104 -0.410
386 1HD2 LEU 47 3HD2 LEU 47 -0.452 0.467 -0.422
387 2HD2 LEU 47 1HD2 LEU 47 0.296 0.022 1.130
388 3HD2 LEU 47 2HD2 LEU 47 1.148 1.112 0.011
389 H ASN 48 H ASN 48 0.347 -3.562 -3.776
390 HA ASN 48 HA ASN 48 -0.262 -2.422 -6.224
391 HB ASN 48 2HB ASN 48 2.047 -4.378 -6.177
392 HB ASN 48 QB ASN 48 2.047 -4.378 -6.177
393 1HD2 ASN 48 2HD2 ASN 48 1.419 -6.111 -9.173
394 2HD2 ASN 48 1HD2 ASN 48 2.613 -5.510 -8.073
395 H LEU 49 H LEU 49 -2.378 -3.212 -6.185
396 HA LEU 49 HA LEU 49 -2.768 -5.972 -5.301
397 HB LEU 49 2HB LEU 49 -5.253 -4.794 -5.595
398 HB LEU 49 QB LEU 49 -5.253 -4.794 -5.595
399 HG LEU 49 HG LEU 49 -3.677 -5.779 -3.434
400 1HD1 LEU 49 2HD1 LEU 49 -3.344 -3.383 -2.851
401 2HD1 LEU 49 3HD1 LEU 49 -5.110 -3.213 -2.701
402 3HD1 LEU 49 1HD1 LEU 49 -4.225 -4.310 -1.613
403 1HD2 LEU 49 2HD2 LEU 49 -6.578 -5.278 -3.995
404 2HD2 LEU 49 3HD2 LEU 49 -5.709 -6.809 -3.734
405 3HD2 LEU 49 1HD2 LEU 49 -6.069 -5.744 -2.355
406 H GLU 50 H GLU 50 -3.039 -7.527 -6.802
407 HA GLU 50 HA GLU 50 -3.600 -6.644 -9.495
408 HB GLU 50 2HB GLU 50 -3.202 -9.523 -9.186
409 HB GLU 50 QB GLU 50 -3.202 -9.523 -9.186
410 HG GLU 50 2HG GLU 50 -1.172 -8.932 -10.629
411 HG GLU 50 QG GLU 50 -1.172 -8.932 -10.629
412 HE2 GLU 50 HE GLU 50 -2.286 -8.346 -13.375
413 H ASP 51 H ASP 51 -5.110 -8.173 -6.731
414 HA ASP 51 HA ASP 51 -7.318 -8.981 -8.456
415 HB ASP 51 2HB ASP 51 -6.473 -9.931 -5.680
416 HB ASP 51 QB ASP 51 -6.473 -9.931 -5.680
417 HD1 ASP 51 HD ASP 51 -9.736 -10.640 -7.644
418 H LEU 52 H LEU 52 -7.611 -6.422 -8.216
419 HA LEU 52 HA LEU 52 -8.650 -5.624 -5.644
420 HB LEU 52 2HB LEU 52 -8.424 -4.117 -8.252
421 HB LEU 52 QB LEU 52 -8.424 -4.117 -8.252
422 HG LEU 52 HG LEU 52 -9.104 -2.232 -7.266
423 1HD1 LEU 52 2HD1 LEU 52 -10.153 -4.242 -5.265
424 2HD1 LEU 52 3HD1 LEU 52 -10.620 -2.523 -5.271
425 3HD1 LEU 52 1HD1 LEU 52 -10.986 -3.551 -6.678
426 1HD2 LEU 52 1HD2 LEU 52 -7.221 -3.102 -5.174
427 2HD2 LEU 52 2HD2 LEU 52 -7.463 -1.504 -5.922
428 3HD2 LEU 52 3HD2 LEU 52 -8.533 -2.042 -4.604
429 H SER 53 H SER 53 -10.617 -6.449 -5.112
430 HA SER 53 HA SER 53 -12.611 -6.409 -7.238
431 HB SER 53 2HB SER 53 -12.233 -8.196 -4.818
432 HB SER 53 QB SER 53 -12.233 -8.196 -4.818
433 HG SER 53 HG SER 53 -14.417 -7.912 -4.653
434 H PHE 54 H PHE 54 -13.039 -6.696 -3.667
435 HA PHE 54 HA PHE 54 -15.045 -4.680 -3.717
436 HB PHE 54 2HB PHE 54 -13.532 -6.239 -1.541
437 HB PHE 54 QB PHE 54 -13.532 -6.239 -1.541
438 HD1 PHE 54 1HD PHE 54 -16.725 -4.370 -2.101
439 HD2 PHE 54 2HD PHE 54 -13.722 -5.569 0.647
440 HE1 PHE 54 1HE PHE 54 -17.872 -3.076 -0.283
441 HE2 PHE 54 2HE PHE 54 -14.870 -4.273 2.465
442 HZ PHE 54 HZ PHE 54 -16.932 -3.043 1.979
443 H MET 55 H MET 55 -11.893 -4.969 -1.913
444 HA MET 55 HA MET 55 -10.825 -3.362 -0.800
445 HB MET 55 2HB MET 55 -10.721 -1.855 -3.428
446 HB MET 55 QB MET 55 -10.721 -1.855 -3.428
447 HG MET 55 2HG MET 55 -9.050 -2.158 -1.120
448 HG MET 55 QG MET 55 -9.050 -2.158 -1.120
449 1HE MET 55 2HE MET 55 -9.556 -4.776 -2.172
450 2HE MET 55 3HE MET 55 -8.969 -5.018 -3.835
451 3HE MET 55 1HE MET 55 -8.070 -5.711 -2.463
452 H ASP 56 H ASP 56 -12.576 -2.480 0.527
453 HA ASP 56 HA ASP 56 -13.777 -0.078 -0.551
454 HB ASP 56 2HB ASP 56 -14.354 -1.155 2.212
455 HB ASP 56 QB ASP 56 -14.354 -1.155 2.212
456 HD1 ASP 56 HD ASP 56 -16.524 -1.066 -0.443
457 H SER 57 H SER 57 -14.239 0.945 2.276
458 HA SER 57 HA SER 57 -11.576 2.039 2.633
459 HB SER 57 2HB SER 57 -14.245 3.129 2.729
460 HB SER 57 QB SER 57 -14.245 3.129 2.729
461 HG SER 57 HG SER 57 -14.209 2.859 5.009
462 H SER 58 H SER 58 -13.253 -0.560 3.720
463 HA SER 58 HA SER 58 -13.396 -0.363 6.429
464 HB SER 58 2HB SER 58 -13.766 -2.638 6.382
465 HB SER 58 QB SER 58 -13.766 -2.638 6.382
466 HG SER 58 HG SER 58 -14.964 -1.955 4.551
467 H GLY 59 H GLY 59 -10.573 -0.946 4.301
468 1HA GLY 59 1HA GLY 59 -8.838 -1.104 6.687
469 2HA GLY 59 2HA GLY 59 -8.464 -1.753 5.102
470 H LEU 60 H LEU 60 -10.115 1.232 4.778
471 HA LEU 60 HA LEU 60 -8.055 2.521 3.522
472 HB LEU 60 2HB LEU 60 -10.032 4.166 5.006
473 HB LEU 60 QB LEU 60 -10.032 4.166 5.006
474 HG LEU 60 HG LEU 60 -10.344 4.396 2.210
475 1HD1 LEU 60 2HD1 LEU 60 -9.570 6.057 4.508
476 2HD1 LEU 60 3HD1 LEU 60 -8.935 6.624 2.944
477 3HD1 LEU 60 1HD1 LEU 60 -10.687 6.393 3.163
478 1HD2 LEU 60 3HD2 LEU 60 -7.435 4.268 3.026
479 2HD2 LEU 60 1HD2 LEU 60 -8.263 3.350 1.745
480 3HD2 LEU 60 2HD2 LEU 60 -8.013 5.104 1.565
481 H GLY 61 H GLY 61 -9.027 2.655 7.000
482 1HA GLY 61 1HA GLY 61 -7.061 4.566 7.732
483 2HA GLY 61 2HA GLY 61 -7.976 3.518 8.796
484 H VAL 62 H VAL 62 -7.178 0.964 7.601
485 HA VAL 62 HA VAL 62 -4.841 0.514 9.058
486 HB VAL 62 HB VAL 62 -6.813 -0.962 7.731
487 1HG1 VAL 62 3HG1 VAL 62 -5.352 -1.013 5.734
488 2HG1 VAL 62 1HG1 VAL 62 -4.065 -1.756 6.712
489 3HG1 VAL 62 2HG1 VAL 62 -5.592 -2.629 6.440
490 1HG2 VAL 62 3HG2 VAL 62 -5.367 -1.219 9.967
491 2HG2 VAL 62 1HG2 VAL 62 -6.241 -2.585 9.233
492 3HG2 VAL 62 2HG2 VAL 62 -4.494 -2.391 8.950
493 H ILE 63 H ILE 63 -5.396 1.826 5.870
494 HA ILE 63 HA ILE 63 -2.614 1.299 5.137
495 HB ILE 63 HB ILE 63 -5.124 1.858 3.639
496 HG1 ILE 63 2HG1 ILE 63 -3.499 -0.356 4.042
497 HG1 ILE 63 QG1 ILE 63 -3.499 -0.356 4.042
498 1HG2 ILE 63 2HG2 ILE 63 -2.368 2.699 2.729
499 2HG2 ILE 63 3HG2 ILE 63 -3.703 2.361 1.603
500 3HG2 ILE 63 1HG2 ILE 63 -3.859 3.669 2.799
501 1HD1 ILE 63 3HD1 ILE 63 -5.793 0.435 2.321
502 2HD1 ILE 63 1HD1 ILE 63 -4.878 -0.980 1.748
503 3HD1 ILE 63 2HD1 ILE 63 -5.599 -0.986 3.376
504 H LEU 64 H LEU 64 -5.031 3.887 5.749
505 HA LEU 64 HA LEU 64 -3.254 5.990 5.096
506 HB LEU 64 2HB LEU 64 -5.473 6.471 6.992
507 HB LEU 64 QB LEU 64 -5.473 6.471 6.992
508 HG LEU 64 HG LEU 64 -4.184 7.880 4.807
509 1HD1 LEU 64 1HD1 LEU 64 -6.442 6.883 3.820
510 2HD1 LEU 64 2HD1 LEU 64 -7.137 8.277 4.680
511 3HD1 LEU 64 3HD1 LEU 64 -5.886 8.531 3.441
512 1HD2 LEU 64 2HD2 LEU 64 -5.999 8.558 7.110
513 2HD2 LEU 64 3HD2 LEU 64 -4.292 8.990 6.846
514 3HD2 LEU 64 1HD2 LEU 64 -5.568 9.779 5.888
515 H GLY 65 H GLY 65 -4.268 4.402 8.185
516 1HA GLY 65 1HA GLY 65 -2.678 6.052 9.850
517 2HA GLY 65 2HA GLY 65 -3.390 4.503 10.257
518 H ARG 66 H ARG 66 -1.857 3.588 7.563
519 HA ARG 66 HA ARG 66 0.507 2.878 9.069
520 HB ARG 66 2HB ARG 66 0.571 1.514 6.596
521 HB ARG 66 QB ARG 66 0.571 1.514 6.596
522 HG ARG 66 2HG ARG 66 1.050 0.509 8.812
523 HG ARG 66 QG ARG 66 1.050 0.509 8.812
524 HD ARG 66 2HD ARG 66 -1.952 0.882 9.197
525 HD ARG 66 QD ARG 66 -1.952 0.882 9.197
526 HE ARG 66 HE ARG 66 -1.720 -1.261 10.163
527 1HH1 ARG 66 2HH2 ARG 66 0.954 0.821 11.195
528 2HH1 ARG 66 1HH2 ARG 66 1.502 -0.279 12.415
529 HH2 ARG 66 1HH ARG 66 0.340 -2.349 12.739
530 H TYR 67 H TYR 67 -0.591 4.313 5.941
531 HA TYR 67 HA TYR 67 1.683 4.606 4.553
532 HB TYR 67 2HB TYR 67 -0.038 7.059 5.050
533 HB TYR 67 QB TYR 67 -0.038 7.059 5.050
534 HD1 TYR 67 1HD TYR 67 -0.534 4.661 2.299
535 HD2 TYR 67 2HD TYR 67 1.432 8.258 3.521
536 HE1 TYR 67 1HE TYR 67 0.034 5.181 -0.124
537 HE2 TYR 67 2HE TYR 67 1.994 8.767 1.095
538 HH TYR 67 HH TYR 67 1.553 6.422 -1.387
539 H LYS 68 H LYS 68 0.746 6.450 7.491
540 HA LYS 68 HA LYS 68 3.036 8.172 7.248
541 HB LYS 68 2HB LYS 68 2.186 9.277 9.168
542 HB LYS 68 QB LYS 68 2.186 9.277 9.168
543 HG LYS 68 2HG LYS 68 -0.431 9.191 8.620
544 HG LYS 68 QG LYS 68 -0.431 9.191 8.620
545 HD LYS 68 2HD LYS 68 0.430 10.271 6.219
546 HD LYS 68 QD LYS 68 0.430 10.271 6.219
547 HE LYS 68 2HE LYS 68 0.922 11.785 8.795
548 HE LYS 68 QE LYS 68 0.922 11.785 8.795
549 1HZ LYS 68 1HZ LYS 68 -0.782 12.689 6.598
550 2HZ LYS 68 2HZ LYS 68 0.255 13.549 7.511
551 H GLN 69 H GLN 69 2.075 5.185 8.946
552 HA GLN 69 HA GLN 69 4.373 5.262 10.620
553 HB GLN 69 2HB GLN 69 3.222 2.620 10.459
554 HB GLN 69 QB GLN 69 3.222 2.620 10.459
555 HG GLN 69 2HG GLN 69 2.846 4.847 12.516
556 HG GLN 69 QG GLN 69 2.846 4.847 12.516
557 1HE2 GLN 69 2HE2 GLN 69 2.603 1.584 14.627
558 2HE2 GLN 69 1HE2 GLN 69 3.981 2.552 14.223
559 H ILE 70 H ILE 70 3.305 3.461 7.672
560 HA ILE 70 HA ILE 70 5.616 1.866 7.513
561 HB ILE 70 HB ILE 70 3.532 1.253 6.467
562 HG1 ILE 70 2HG1 ILE 70 5.888 1.669 4.624
563 HG1 ILE 70 QG1 ILE 70 5.888 1.669 4.624
564 1HG2 ILE 70 1HG2 ILE 70 3.634 3.952 5.429
565 2HG2 ILE 70 2HG2 ILE 70 3.395 2.771 4.118
566 3HG2 ILE 70 3HG2 ILE 70 2.273 2.806 5.501
567 1HD1 ILE 70 1HD1 ILE 70 5.375 -0.110 6.731
568 2HD1 ILE 70 2HD1 ILE 70 4.961 -1.043 5.273
569 3HD1 ILE 70 3HD1 ILE 70 6.584 -0.333 5.443
570 H LYS 71 H LYS 71 4.897 5.211 6.697
571 HA LYS 71 HA LYS 71 7.018 5.494 4.822
572 HB LYS 71 2HB LYS 71 6.502 8.023 5.589
573 HB LYS 71 QB LYS 71 6.502 8.023 5.589
574 HG LYS 71 2HG LYS 71 4.737 6.214 3.873
575 HG LYS 71 QG LYS 71 4.737 6.214 3.873
576 HD LYS 71 2HD LYS 71 4.369 8.967 4.654
577 HD LYS 71 QD LYS 71 4.369 8.967 4.654
578 HE LYS 71 2HE LYS 71 4.183 9.289 1.834
579 HE LYS 71 QE LYS 71 4.183 9.289 1.834
580 1HZ LYS 71 1HZ LYS 71 6.346 10.462 3.456
581 2HZ LYS 71 2HZ LYS 71 5.444 11.176 2.303
582 H GLN 72 H GLN 72 6.578 6.110 8.350
583 HA GLN 72 HA GLN 72 8.935 7.384 8.812
584 HB GLN 72 2HB GLN 72 7.032 5.743 10.412
585 HB GLN 72 QB GLN 72 7.032 5.743 10.412
586 HG GLN 72 2HG GLN 72 9.914 5.689 10.952
587 HG GLN 72 QG GLN 72 9.914 5.689 10.952
588 1HE2 GLN 72 2HE2 GLN 72 10.163 6.892 14.326
589 2HE2 GLN 72 1HE2 GLN 72 10.578 5.556 13.305
590 H ILE 73 H ILE 73 8.269 3.882 8.406
591 HA ILE 73 HA ILE 73 11.175 3.461 8.418
592 HB ILE 73 HB ILE 73 9.341 1.262 9.227
593 HG1 ILE 73 2HG1 ILE 73 9.954 3.688 10.905
594 HG1 ILE 73 QG1 ILE 73 9.954 3.688 10.905
595 1HG2 ILE 73 1HG2 ILE 73 12.196 2.070 9.712
596 2HG2 ILE 73 2HG2 ILE 73 11.381 0.914 10.792
597 3HG2 ILE 73 3HG2 ILE 73 11.540 0.550 9.057
598 1HD1 ILE 73 1HD1 ILE 73 7.575 2.140 9.975
599 2HD1 ILE 73 2HD1 ILE 73 7.530 2.694 11.665
600 3HD1 ILE 73 3HD1 ILE 73 7.730 3.873 10.348
601 H GLY 74 H GLY 74 9.522 4.246 6.172
602 1HA GLY 74 1HA GLY 74 9.882 1.830 4.528
603 2HA GLY 74 2HA GLY 74 8.354 2.690 4.488
604 H GLY 75 H GLY 75 10.653 5.033 5.175
605 1HA GLY 75 1HA GLY 75 11.731 6.601 3.974
606 2HA GLY 75 2HA GLY 75 11.914 5.434 2.680
607 H GLU 76 H GLU 76 9.539 4.870 1.633
608 HA GLU 76 HA GLU 76 8.023 7.315 1.417
609 HB GLU 76 2HB GLU 76 8.224 7.523 -0.956
610 HB GLU 76 QB GLU 76 8.224 7.523 -0.956
611 HG GLU 76 2HG GLU 76 10.778 7.474 -1.331
612 HG GLU 76 QG GLU 76 10.778 7.474 -1.331
613 HE1 GLU 76 HE GLU 76 8.728 9.670 1.070
614 H MET 77 H MET 77 5.842 6.971 0.628
615 HA MET 77 HA MET 77 5.145 4.137 0.641
616 HB MET 77 2HB MET 77 2.848 5.850 1.067
617 HB MET 77 QB MET 77 2.848 5.850 1.067
618 HG MET 77 2HG MET 77 3.382 4.843 3.543
619 HG MET 77 QG MET 77 3.382 4.843 3.543
620 1HE MET 77 2HE MET 77 3.824 1.876 2.377
621 2HE MET 77 3HE MET 77 2.203 1.142 2.414
622 3HE MET 77 1HE MET 77 2.937 1.599 0.859
623 H VAL 78 H VAL 78 4.446 3.311 -1.279
624 HA VAL 78 HA VAL 78 3.061 5.151 -3.094
625 HB VAL 78 HB VAL 78 5.116 3.097 -3.928
626 1HG1 VAL 78 2HG1 VAL 78 3.508 5.186 -5.418
627 2HG1 VAL 78 3HG1 VAL 78 4.988 4.456 -6.087
628 3HG1 VAL 78 1HG1 VAL 78 3.585 3.430 -5.703
629 1HG2 VAL 78 1HG2 VAL 78 5.387 6.089 -3.521
630 2HG2 VAL 78 2HG2 VAL 78 6.337 4.786 -2.768
631 3HG2 VAL 78 3HG2 VAL 78 6.516 5.128 -4.506
632 H VAL 79 H VAL 79 1.497 4.108 -4.499
633 HA VAL 79 HA VAL 79 0.986 1.305 -4.029
634 HB VAL 79 HB VAL 79 -0.128 2.285 -2.136
635 1HG1 VAL 79 1HG1 VAL 79 -1.373 4.154 -4.167
636 2HG1 VAL 79 2HG1 VAL 79 -2.043 3.912 -2.536
637 3HG1 VAL 79 3HG1 VAL 79 -0.399 4.567 -2.736
638 1HG2 VAL 79 3HG2 VAL 79 -2.024 1.456 -4.355
639 2HG2 VAL 79 1HG2 VAL 79 -1.283 0.422 -3.111
640 3HG2 VAL 79 2HG2 VAL 79 -2.503 1.632 -2.650
641 H CYS 80 H CYS 80 0.063 0.359 -5.825
642 HA CYS 80 HA CYS 80 -0.885 2.229 -7.872
643 HB CYS 80 2HB CYS 80 1.412 1.276 -8.349
644 HB CYS 80 QB CYS 80 1.412 1.276 -8.349
645 HG CYS 80 HG CYS 80 1.518 -1.162 -9.505
646 H ALA 81 H ALA 81 -1.794 0.275 -9.713
647 HA ALA 81 HA ALA 81 -3.402 -1.199 -10.124
648 1HB ALA 81 3HB ALA 81 -2.368 -2.054 -7.562
649 2HB ALA 81 1HB ALA 81 -4.130 -2.301 -7.610
650 3HB ALA 81 2HB ALA 81 -3.095 -3.030 -8.861
651 H ILE 82 H ILE 82 -4.089 1.418 -9.978
652 HA ILE 82 HA ILE 82 -6.122 1.927 -8.069
653 HB ILE 82 HB ILE 82 -4.660 3.595 -9.268
654 HG1 ILE 82 2HG1 ILE 82 -7.611 4.219 -9.472
655 HG1 ILE 82 QG1 ILE 82 -7.611 4.219 -9.472
656 1HG2 ILE 82 2HG2 ILE 82 -6.526 2.885 -11.533
657 2HG2 ILE 82 3HG2 ILE 82 -5.685 4.451 -11.440
658 3HG2 ILE 82 1HG2 ILE 82 -4.748 2.940 -11.525
659 1HD1 ILE 82 2HD1 ILE 82 -5.854 3.685 -7.072
660 2HD1 ILE 82 3HD1 ILE 82 -7.091 4.962 -6.978
661 3HD1 ILE 82 1HD1 ILE 82 -7.569 3.283 -7.325
662 H SER 83 H SER 83 -8.412 2.640 -8.965
663 HA SER 83 HA SER 83 -9.314 1.092 -11.162
664 HB SER 83 2HB SER 83 -10.123 -0.736 -10.111
665 HB SER 83 QB SER 83 -10.123 -0.736 -10.111
666 HG SER 83 HG SER 83 -8.408 -0.867 -8.715
667 HA PRO 84 HA PRO 84 -12.434 4.117 -10.941
668 HB PRO 84 2HB PRO 84 -13.254 3.591 -13.027
669 HB PRO 84 QB PRO 84 -13.254 3.591 -13.027
670 HG PRO 84 2HG PRO 84 -12.841 1.426 -13.707
671 HG PRO 84 QG PRO 84 -12.841 1.426 -13.707
672 HD PRO 84 2HD PRO 84 -10.991 0.944 -12.430
673 HD PRO 84 QD PRO 84 -10.991 0.944 -12.430
674 H ALA 85 H ALA 85 -12.833 1.243 -9.234
675 HA ALA 85 HA ALA 85 -14.883 2.587 -7.611
676 1HB ALA 85 3HB ALA 85 -14.876 -0.044 -8.923
677 2HB ALA 85 1HB ALA 85 -15.201 -0.142 -7.176
678 3HB ALA 85 2HB ALA 85 -16.228 0.874 -8.216
679 H VAL 86 H VAL 86 -12.185 3.086 -7.174
680 HA VAL 86 HA VAL 86 -11.897 1.984 -4.548
681 HB VAL 86 HB VAL 86 -10.340 0.956 -6.833
682 1HG1 VAL 86 3HG1 VAL 86 -9.017 1.966 -4.318
683 2HG1 VAL 86 1HG1 VAL 86 -8.361 0.563 -5.197
684 3HG1 VAL 86 2HG1 VAL 86 -8.501 2.140 -6.013
685 1HG2 VAL 86 2HG2 VAL 86 -11.471 0.010 -4.257
686 2HG2 VAL 86 3HG2 VAL 86 -11.400 -0.789 -5.847
687 3HG2 VAL 86 1HG2 VAL 86 -9.968 -0.781 -4.790
688 H LYS 87 H LYS 87 -10.757 3.962 -7.297
689 HA LYS 87 HA LYS 87 -9.061 5.549 -5.607
690 HB LYS 87 2HB LYS 87 -8.860 4.943 -8.171
691 HB LYS 87 QB LYS 87 -8.860 4.943 -8.171
692 HG LYS 87 2HG LYS 87 -11.142 6.506 -8.307
693 HG LYS 87 QG LYS 87 -11.142 6.506 -8.307
694 HD LYS 87 2HD LYS 87 -8.789 8.262 -9.143
695 HD LYS 87 QD LYS 87 -8.789 8.262 -9.143
696 HE LYS 87 2HE LYS 87 -10.894 9.926 -9.061
697 HE LYS 87 QE LYS 87 -10.894 9.926 -9.061
698 1HZ LYS 87 1HZ LYS 87 -10.821 8.149 -11.397
699 2HZ LYS 87 2HZ LYS 87 -10.869 9.776 -11.354
700 H ARG 88 H ARG 88 -12.374 5.234 -5.916
701 HA ARG 88 HA ARG 88 -12.966 8.021 -5.897
702 HB ARG 88 2HB ARG 88 -14.826 6.997 -6.787
703 HB ARG 88 QB ARG 88 -14.826 6.997 -6.787
704 HG ARG 88 2HG ARG 88 -13.748 4.747 -6.749
705 HG ARG 88 QG ARG 88 -13.748 4.747 -6.749
706 HD ARG 88 2HD ARG 88 -14.206 5.060 -3.862
707 HD ARG 88 QD ARG 88 -14.206 5.060 -3.862
708 HE ARG 88 HE ARG 88 -16.028 3.292 -4.843
709 1HH1 ARG 88 2HH2 ARG 88 -12.956 2.738 -3.166
710 2HH1 ARG 88 1HH2 ARG 88 -13.467 1.238 -2.466
711 HH2 ARG 88 1HH ARG 88 -15.674 0.421 -2.922
712 H LEU 89 H LEU 89 -11.998 5.607 -3.620
713 HA LEU 89 HA LEU 89 -13.423 6.619 -1.370
714 HB LEU 89 2HB LEU 89 -11.494 5.211 -0.234
715 HB LEU 89 QB LEU 89 -11.494 5.211 -0.234
716 HG LEU 89 HG LEU 89 -13.715 3.971 -1.880
717 1HD1 LEU 89 2HD1 LEU 89 -11.916 2.343 -1.492
718 2HD1 LEU 89 3HD1 LEU 89 -12.006 2.664 0.256
719 3HD1 LEU 89 1HD1 LEU 89 -13.393 1.935 -0.588
720 1HD2 LEU 89 2HD2 LEU 89 -13.597 5.297 0.725
721 2HD2 LEU 89 3HD2 LEU 89 -14.992 4.906 -0.308
722 3HD2 LEU 89 1HD2 LEU 89 -14.328 3.675 0.792
723 H PHE 90 H PHE 90 -10.153 7.073 -2.808
724 HA PHE 90 HA PHE 90 -9.450 8.902 -0.688
725 HB PHE 90 2HB PHE 90 -7.282 8.861 -1.853
726 HB PHE 90 QB PHE 90 -7.282 8.861 -1.853
727 HD1 PHE 90 1HD PHE 90 -8.731 5.959 -3.572
728 HD2 PHE 90 2HD PHE 90 -6.733 7.320 -0.085
729 HE1 PHE 90 1HE PHE 90 -8.232 3.585 -2.931
730 HE2 PHE 90 2HE PHE 90 -6.234 4.946 0.556
731 HZ PHE 90 HZ PHE 90 -6.990 3.106 -0.875
732 H ASP 91 H ASP 91 -10.983 8.979 -3.814
733 HA ASP 91 HA ASP 91 -10.108 11.552 -4.538
734 HB ASP 91 2HB ASP 91 -12.711 10.933 -5.644
735 HB ASP 91 QB ASP 91 -12.711 10.933 -5.644
736 HD2 ASP 91 HD ASP 91 -11.089 12.254 -8.286
737 H MET 92 H MET 92 -12.805 10.125 -2.661
738 HA MET 92 HA MET 92 -14.219 12.604 -2.538
739 HB MET 92 2HB MET 92 -14.569 9.947 -1.039
740 HB MET 92 QB MET 92 -14.569 9.947 -1.039
741 HG MET 92 2HG MET 92 -17.034 11.375 -1.386
742 HG MET 92 QG MET 92 -17.034 11.375 -1.386
743 1HE MET 92 2HE MET 92 -18.340 11.851 0.569
744 2HE MET 92 3HE MET 92 -18.216 10.974 2.113
745 3HE MET 92 1HE MET 92 -17.334 12.504 1.884
746 H SER 93 H SER 93 -12.114 10.601 -0.412
747 HA SER 93 HA SER 93 -12.540 12.129 1.877
748 HB SER 93 2HB SER 93 -9.908 10.740 1.418
749 HB SER 93 QB SER 93 -9.908 10.740 1.418
750 HG SER 93 HG SER 93 -11.765 11.158 3.539
751 H GLY 94 H GLY 94 -10.367 12.425 -0.935
752 1HA GLY 94 1HA GLY 94 -9.215 14.237 -1.661
753 2HA GLY 94 2HA GLY 94 -9.764 15.148 -0.269
754 H LEU 95 H LEU 95 -8.601 12.303 1.033
755 HA LEU 95 HA LEU 95 -6.089 13.597 1.706
756 HB LEU 95 2HB LEU 95 -7.072 11.004 2.845
757 HB LEU 95 QB LEU 95 -7.072 11.004 2.845
758 HG LEU 95 HG LEU 95 -5.109 11.464 3.940
759 1HD1 LEU 95 3HD1 LEU 95 -5.725 14.410 3.616
760 2HD1 LEU 95 1HD1 LEU 95 -4.352 13.775 4.554
761 3HD1 LEU 95 2HD1 LEU 95 -4.456 13.461 2.805
762 1HD2 LEU 95 3HD2 LEU 95 -7.153 11.485 5.484
763 2HD2 LEU 95 1HD2 LEU 95 -5.614 12.094 6.137
764 3HD2 LEU 95 2HD2 LEU 95 -6.876 13.237 5.621
765 H PHE 96 H PHE 96 -6.999 12.045 -0.930
766 HA PHE 96 HA PHE 96 -5.629 9.734 -1.225
767 HB PHE 96 2HB PHE 96 -5.260 11.726 -3.425
768 HB PHE 96 QB PHE 96 -5.260 11.726 -3.425
769 HD1 PHE 96 2HD PHE 96 -4.945 8.631 -2.720
770 HD2 PHE 96 1HD PHE 96 -7.730 10.920 -4.959
771 HE1 PHE 96 2HE PHE 96 -5.464 6.620 -4.130
772 HE2 PHE 96 1HE PHE 96 -8.249 8.909 -6.369
773 HZ PHE 96 HZ PHE 96 -7.110 6.783 -5.937
774 H LYS 97 H LYS 97 -4.314 13.047 -1.032
775 HA LYS 97 HA LYS 97 -1.778 12.471 -2.067
776 HB LYS 97 2HB LYS 97 -1.124 14.587 -1.070
777 HB LYS 97 QB LYS 97 -1.124 14.587 -1.070
778 HG LYS 97 2HG LYS 97 -2.903 16.038 -2.013
779 HG LYS 97 QG LYS 97 -2.903 16.038 -2.013
780 HD LYS 97 2HD LYS 97 -3.145 13.833 -3.957
781 HD LYS 97 QD LYS 97 -3.145 13.833 -3.957
782 HE LYS 97 2HE LYS 97 -3.152 16.431 -4.288
783 HE LYS 97 QE LYS 97 -3.152 16.431 -4.288
784 1HZ LYS 97 1HZ LYS 97 -0.734 17.054 -4.887
785 2HZ LYS 97 2HZ LYS 97 -1.150 17.106 -3.313
786 H ILE 98 H ILE 98 -3.358 11.624 0.927
787 HA ILE 98 HA ILE 98 -0.865 11.223 2.327
788 HB ILE 98 HB ILE 98 -3.454 11.781 3.080
789 HG1 ILE 98 2HG1 ILE 98 -2.175 12.489 4.755
790 HG1 ILE 98 QG1 ILE 98 -2.175 12.489 4.755
791 1HG2 ILE 98 1HG2 ILE 98 -2.858 8.886 3.741
792 2HG2 ILE 98 2HG2 ILE 98 -4.120 9.870 4.520
793 3HG2 ILE 98 3HG2 ILE 98 -4.215 9.518 2.778
794 1HD1 ILE 98 3HD1 ILE 98 -2.044 9.522 5.458
795 2HD1 ILE 98 1HD1 ILE 98 -1.505 10.832 6.537
796 3HD1 ILE 98 2HD1 ILE 98 -3.218 10.711 6.068
797 H ILE 99 H ILE 99 -2.647 9.610 -0.074
798 HA ILE 99 HA ILE 99 -1.529 7.035 0.800
799 HB ILE 99 HB ILE 99 -4.152 7.805 -0.271
800 HG1 ILE 99 2HG1 ILE 99 -2.964 5.960 1.683
801 HG1 ILE 99 QG1 ILE 99 -2.964 5.960 1.683
802 1HG2 ILE 99 3HG2 ILE 99 -2.633 5.468 -1.438
803 2HG2 ILE 99 1HG2 ILE 99 -4.410 5.569 -1.429
804 3HG2 ILE 99 2HG2 ILE 99 -3.454 6.796 -2.293
805 1HD1 ILE 99 3HD1 ILE 99 -5.011 7.973 1.487
806 2HD1 ILE 99 1HD1 ILE 99 -5.776 6.456 2.016
807 3HD1 ILE 99 2HD1 ILE 99 -4.421 7.142 2.945
808 H ARG 100 H ARG 100 -1.369 9.653 -1.419
809 HA ARG 100 HA ARG 100 -0.608 9.833 -3.486
810 HB ARG 100 2HB ARG 100 1.819 8.219 -2.882
811 HB ARG 100 QB ARG 100 1.819 8.219 -2.882
812 HG ARG 100 2HG ARG 100 2.792 10.629 -3.013
813 HG ARG 100 QG ARG 100 2.792 10.629 -3.013
814 HD ARG 100 2HD ARG 100 1.225 9.901 -5.506
815 HD ARG 100 QD ARG 100 1.225 9.901 -5.506
816 HE ARG 100 HE ARG 100 3.713 11.316 -4.915
817 1HH1 ARG 100 2HH2 ARG 100 1.988 9.461 -7.392
818 2HH1 ARG 100 1HH2 ARG 100 2.878 10.152 -8.706
819 HH2 ARG 100 1HH ARG 100 4.579 11.776 -8.247
820 H PHE 101 H PHE 101 -2.010 8.536 -4.816
821 HA PHE 101 HA PHE 101 -1.001 5.835 -5.359
822 HB PHE 101 2HB PHE 101 -3.698 6.840 -6.285
823 HB PHE 101 QB PHE 101 -3.698 6.840 -6.285
824 HD1 PHE 101 2HD PHE 101 -3.308 4.774 -7.707
825 HD2 PHE 101 1HD PHE 101 -3.650 4.611 -3.480
826 HE1 PHE 101 2HE PHE 101 -3.816 2.320 -7.842
827 HE2 PHE 101 1HE PHE 101 -4.158 2.157 -3.616
828 HZ PHE 101 HZ PHE 101 -4.234 1.040 -5.795
829 H GLU 102 H GLU 102 -1.593 5.107 -7.719
830 HA GLU 102 HA GLU 102 -1.408 7.331 -9.550
831 HB GLU 102 2HB GLU 102 0.453 5.139 -10.254
832 HB GLU 102 QB GLU 102 0.453 5.139 -10.254
833 HG GLU 102 2HG GLU 102 1.882 7.486 -10.217
834 HG GLU 102 QG GLU 102 1.882 7.486 -10.217
835 HE2 GLU 102 HE GLU 102 0.259 7.347 -13.743
836 H GLN 103 H GLN 103 -0.553 5.175 -11.640
837 HA GLN 103 HA GLN 103 -2.892 3.505 -11.628
838 HB GLN 103 2HB GLN 103 -3.836 4.283 -13.663
839 HB GLN 103 QB GLN 103 -3.836 4.283 -13.663
840 HG GLN 103 2HG GLN 103 -2.804 6.698 -12.104
841 HG GLN 103 QG GLN 103 -2.804 6.698 -12.104
842 1HE2 GLN 103 2HE2 GLN 103 -4.568 9.025 -14.003
843 2HE2 GLN 103 1HE2 GLN 103 -3.688 8.659 -12.558
844 H SER 104 H SER 104 -1.423 1.737 -11.468
845 HA SER 104 HA SER 104 0.059 0.274 -12.108
846 HB SER 104 2HB SER 104 -1.189 1.015 -14.777
847 HB SER 104 QB SER 104 -1.189 1.015 -14.777
848 HG SER 104 HG SER 104 0.510 -0.050 -15.604
849 H GLU 105 H GLU 105 0.213 2.797 -14.738
850 HA GLU 105 HA GLU 105 2.689 2.588 -15.551
851 HB GLU 105 2HB GLU 105 1.206 5.147 -14.829
852 HB GLU 105 QB GLU 105 1.206 5.147 -14.829
853 HG GLU 105 2HG GLU 105 3.954 4.745 -15.866
854 HG GLU 105 QG GLU 105 3.954 4.745 -15.866
855 HE2 GLU 105 HE GLU 105 3.037 7.727 -16.624
856 H GLN 106 H GLN 106 1.715 3.636 -12.305
857 HA GLN 106 HA GLN 106 4.158 4.778 -11.590
858 HB GLN 106 2HB GLN 106 1.742 3.744 -10.118
859 HB GLN 106 QB GLN 106 1.742 3.744 -10.118
860 HG GLN 106 2HG GLN 106 4.480 4.272 -8.945
861 HG GLN 106 QG GLN 106 4.480 4.272 -8.945
862 1HE2 GLN 106 2HE2 GLN 106 1.403 4.965 -6.292
863 2HE2 GLN 106 1HE2 GLN 106 1.467 3.563 -7.308
864 H GLN 107 H GLN 107 3.449 1.612 -12.463
865 HA GLN 107 HA GLN 107 4.409 -0.095 -10.722
866 HB GLN 107 2HB GLN 107 5.006 0.121 -13.691
867 HB GLN 107 QB GLN 107 5.006 0.121 -13.691
868 HG GLN 107 2HG GLN 107 6.810 -1.233 -12.536
869 HG GLN 107 QG GLN 107 6.810 -1.233 -12.536
870 1HE2 GLN 107 2HE2 GLN 107 6.311 -3.969 -10.393
871 2HE2 GLN 107 1HE2 GLN 107 7.376 -3.158 -11.492
872 H ALA 108 H ALA 108 6.279 2.483 -12.270
873 HA ALA 108 HA ALA 108 8.787 1.387 -11.314
874 1HB ALA 108 1HB ALA 108 8.050 2.898 -13.508
875 2HB ALA 108 2HB ALA 108 8.741 4.123 -12.417
876 3HB ALA 108 3HB ALA 108 9.712 2.712 -12.900
877 H LEU 109 H LEU 109 6.617 4.238 -10.777
878 HA LEU 109 HA LEU 109 8.192 5.398 -8.786
879 HB LEU 109 2HB LEU 109 5.463 5.985 -8.312
880 HB LEU 109 QB LEU 109 5.463 5.985 -8.312
881 HG LEU 109 HG LEU 109 6.042 8.055 -9.781
882 1HD1 LEU 109 1HD1 LEU 109 7.365 7.389 -7.145
883 2HD1 LEU 109 2HD1 LEU 109 7.411 9.010 -7.880
884 3HD1 LEU 109 3HD1 LEU 109 5.850 8.280 -7.431
885 1HD2 LEU 109 2HD2 LEU 109 8.253 6.508 -10.420
886 2HD2 LEU 109 3HD2 LEU 109 8.051 8.250 -10.718
887 3HD2 LEU 109 1HD2 LEU 109 8.883 7.689 -9.248
888 H LEU 110 H LEU 110 5.949 2.662 -8.789
889 HA LEU 110 HA LEU 110 5.223 2.546 -6.160
890 HB LEU 110 2HB LEU 110 6.032 0.057 -7.605
891 HB LEU 110 QB LEU 110 6.032 0.057 -7.605
892 HG LEU 110 HG LEU 110 4.713 0.039 -5.414
893 1HD1 LEU 110 2HD1 LEU 110 3.099 1.869 -6.821
894 2HD1 LEU 110 3HD1 LEU 110 2.140 0.378 -6.662
895 3HD1 LEU 110 1HD1 LEU 110 2.812 1.162 -5.212
896 1HD2 LEU 110 2HD2 LEU 110 4.772 -1.680 -7.498
897 2HD2 LEU 110 3HD2 LEU 110 3.878 -1.975 -5.988
898 3HD2 LEU 110 1HD2 LEU 110 3.027 -1.342 -7.417
899 H THR 111 H THR 111 8.323 1.544 -7.700
900 HA THR 111 HA THR 111 9.440 0.370 -5.418
901 HB THR 111 HB THR 111 10.239 1.277 -8.122
902 HG1 THR 111 1HG THR 111 10.921 -0.859 -7.978
903 1HG2 THR 111 1HG2 THR 111 12.289 1.172 -5.845
904 2HG2 THR 111 2HG2 THR 111 12.691 1.154 -7.579
905 3HG2 THR 111 3HG2 THR 111 11.933 2.593 -6.856
906 H LEU 112 H LEU 112 8.284 3.458 -5.651
907 HA LEU 112 HA LEU 112 8.451 4.908 -3.870
908 HB LEU 112 2HB LEU 112 10.335 3.161 -3.027
909 HB LEU 112 QB LEU 112 10.335 3.161 -3.027
910 HG LEU 112 HG LEU 112 11.888 5.215 -4.264
911 1HD1 LEU 112 3HD1 LEU 112 11.479 5.607 -1.371
912 2HD1 LEU 112 1HD1 LEU 112 13.180 5.551 -1.892
913 3HD1 LEU 112 2HD1 LEU 112 12.064 6.732 -2.619
914 1HD2 LEU 112 3HD2 LEU 112 12.297 2.680 -2.785
915 2HD2 LEU 112 1HD2 LEU 112 12.943 3.222 -4.352
916 3HD2 LEU 112 2HD2 LEU 112 13.683 3.795 -2.838
917 H GLY 113 H GLY 113 9.173 4.804 -6.882
918 1HA GLY 113 1HA GLY 113 9.947 6.204 -8.467
919 2HA GLY 113 2HA GLY 113 9.483 7.478 -7.356
920 H VAL 114 H VAL 114 11.898 5.186 -6.222
921 HA VAL 114 HA VAL 114 14.102 6.812 -7.144
922 HB VAL 114 HB VAL 114 13.080 6.793 -4.338
923 1HG1 VAL 114 2HG1 VAL 114 15.941 6.534 -5.144
924 2HG1 VAL 114 3HG1 VAL 114 15.552 7.697 -3.854
925 3HG1 VAL 114 1HG1 VAL 114 15.109 5.983 -3.670
926 1HG2 VAL 114 1HG2 VAL 114 13.976 8.772 -6.372
927 2HG2 VAL 114 2HG2 VAL 114 12.654 8.862 -5.182
928 3HG2 VAL 114 3HG2 VAL 114 14.334 9.153 -4.671
929 H ALA 115 H ALA 115 14.414 4.738 -8.286
930 HA ALA 115 HA ALA 115 16.382 3.206 -7.322
931 1HB ALA 115 2HB ALA 115 13.880 2.552 -5.955
932 2HB ALA 115 3HB ALA 115 14.562 1.142 -6.800
933 3HB ALA 115 1HB ALA 115 15.541 2.019 -5.601
934 H SER 116 H SER 116 16.940 3.165 -9.501
935 HA SER 116 HA SER 116 16.908 2.595 -11.599
936 HB SER 116 2HB SER 116 15.442 0.203 -10.422
937 HB SER 116 QB SER 116 15.442 0.203 -10.422
938 HG SER 116 HG SER 116 16.478 0.599 -13.097
No H/Q in entry = 795
Start of MODEL 13
1 H SER 1 H SER 1 -11.492 -16.291 2.574
2 HA SER 1 HA SER 1 -9.857 -16.685 0.420
3 HB SER 1 2HB SER 1 -11.125 -14.172 0.030
4 HB SER 1 QB SER 1 -11.125 -14.172 0.030
5 HG SER 1 HG SER 1 -12.345 -15.327 -1.395
6 H LEU 2 H LEU 2 -9.312 -14.159 -0.755
7 HA LEU 2 HA LEU 2 -7.846 -12.505 -0.816
8 HB LEU 2 2HB LEU 2 -8.110 -12.679 2.179
9 HB LEU 2 QB LEU 2 -8.110 -12.679 2.179
10 HG LEU 2 HG LEU 2 -5.867 -11.614 1.265
11 1HD1 LEU 2 3HD1 LEU 2 -7.980 -9.691 0.411
12 2HD1 LEU 2 1HD1 LEU 2 -6.476 -9.030 1.098
13 3HD1 LEU 2 2HD1 LEU 2 -6.411 -10.087 -0.334
14 1HD2 LEU 2 1HD2 LEU 2 -7.717 -10.801 3.442
15 2HD2 LEU 2 2HD2 LEU 2 -6.044 -11.403 3.512
16 3HD2 LEU 2 3HD2 LEU 2 -6.362 -9.705 3.082
17 H GLY 3 H GLY 3 -5.665 -12.458 -1.296
18 1HA GLY 3 1HA GLY 3 -4.136 -14.799 -0.358
19 2HA GLY 3 2HA GLY 3 -3.885 -13.929 -1.859
20 H ILE 4 H ILE 4 -1.637 -13.558 -1.374
21 HA ILE 4 HA ILE 4 -1.061 -11.125 -0.246
22 HB ILE 4 HB ILE 4 -1.740 -12.702 1.813
23 HG1 ILE 4 2HG1 ILE 4 -0.074 -11.166 3.144
24 HG1 ILE 4 QG1 ILE 4 -0.074 -11.166 3.144
25 1HG2 ILE 4 1HG2 ILE 4 0.230 -14.222 1.167
26 2HG2 ILE 4 2HG2 ILE 4 1.263 -12.943 1.848
27 3HG2 ILE 4 3HG2 ILE 4 0.054 -13.752 2.875
28 1HD1 ILE 4 1HD1 ILE 4 1.237 -10.701 0.956
29 2HD1 ILE 4 2HD1 ILE 4 -0.159 -9.705 0.479
30 3HD1 ILE 4 3HD1 ILE 4 0.773 -9.290 1.937
31 H ASP 5 H ASP 5 0.984 -10.527 -0.903
32 HA ASP 5 HA ASP 5 2.821 -12.671 -1.517
33 HB ASP 5 2HB ASP 5 2.869 -10.584 -3.584
34 HB ASP 5 QB ASP 5 2.869 -10.584 -3.584
35 HD1 ASP 5 HD ASP 5 4.314 -11.644 -4.795
36 H MET 6 H MET 6 5.055 -11.937 -1.394
37 HA MET 6 HA MET 6 5.396 -9.108 -0.838
38 HB MET 6 2HB MET 6 7.110 -10.016 0.994
39 HB MET 6 QB MET 6 7.110 -10.016 0.994
40 HG MET 6 2HG MET 6 4.078 -10.110 1.381
41 HG MET 6 QG MET 6 4.078 -10.110 1.381
42 1HE MET 6 1HE MET 6 4.057 -12.151 2.769
43 2HE MET 6 2HE MET 6 4.240 -12.000 4.533
44 3HE MET 6 3HE MET 6 3.123 -10.925 3.658
45 H ASN 7 H ASN 7 7.270 -8.231 -1.718
46 HA ASN 7 HA ASN 7 9.262 -10.130 -2.630
47 HB ASN 7 2HB ASN 7 9.034 -7.974 -4.562
48 HB ASN 7 QB ASN 7 9.034 -7.974 -4.562
49 1HD2 ASN 7 2HD2 ASN 7 10.521 -10.730 -6.135
50 2HD2 ASN 7 1HD2 ASN 7 10.745 -9.222 -5.313
51 H VAL 8 H VAL 8 11.340 -8.825 -3.332
52 HA VAL 8 HA VAL 8 11.483 -6.280 -1.885
53 HB VAL 8 HB VAL 8 12.636 -8.735 -1.090
54 1HG1 VAL 8 1HG1 VAL 8 14.426 -8.316 -2.736
55 2HG1 VAL 8 2HG1 VAL 8 14.744 -6.736 -1.979
56 3HG1 VAL 8 3HG1 VAL 8 15.029 -8.236 -1.063
57 1HG2 VAL 8 2HG2 VAL 8 12.502 -5.923 -0.172
58 2HG2 VAL 8 3HG2 VAL 8 12.174 -7.437 0.705
59 3HG2 VAL 8 1HG2 VAL 8 13.851 -6.880 0.487
60 H LYS 9 H LYS 9 12.874 -4.727 -2.820
61 HA LYS 9 HA LYS 9 14.386 -5.523 -5.156
62 HB LYS 9 2HB LYS 9 13.115 -4.587 -6.747
63 HB LYS 9 QB LYS 9 13.115 -4.587 -6.747
64 HG LYS 9 2HG LYS 9 10.629 -4.195 -5.945
65 HG LYS 9 QG LYS 9 10.629 -4.195 -5.945
66 HD LYS 9 2HD LYS 9 10.896 -6.930 -5.264
67 HD LYS 9 QD LYS 9 10.896 -6.930 -5.264
68 HE LYS 9 2HE LYS 9 9.641 -5.408 -7.213
69 HE LYS 9 QE LYS 9 9.641 -5.408 -7.213
70 1HZ LYS 9 1HZ LYS 9 10.629 -7.049 -9.139
71 2HZ LYS 9 2HZ LYS 9 11.002 -5.471 -9.001
72 H GLU 10 H GLU 10 16.351 -4.834 -4.452
73 HA GLU 10 HA GLU 10 17.936 -3.494 -3.815
74 HB GLU 10 2HB GLU 10 15.929 -1.449 -4.779
75 HB GLU 10 QB GLU 10 15.929 -1.449 -4.779
76 HG GLU 10 2HG GLU 10 18.336 -0.966 -3.078
77 HG GLU 10 QG GLU 10 18.336 -0.966 -3.078
78 HE2 GLU 10 HE GLU 10 18.204 1.916 -5.753
79 H SER 11 H SER 11 14.737 -3.104 -2.393
80 HA SER 11 HA SER 11 15.417 -3.407 0.134
81 HB SER 11 2HB SER 11 16.666 -1.631 0.779
82 HB SER 11 QB SER 11 16.666 -1.631 0.779
83 HG SER 11 HG SER 11 15.737 0.042 -1.373
84 H VAL 12 H VAL 12 13.409 -2.423 -2.372
85 HA VAL 12 HA VAL 12 11.256 -1.442 -0.708
86 HB VAL 12 HB VAL 12 11.842 -0.561 -2.990
87 1HG1 VAL 12 2HG1 VAL 12 12.058 -3.066 -3.836
88 2HG1 VAL 12 3HG1 VAL 12 10.329 -2.848 -4.197
89 3HG1 VAL 12 1HG1 VAL 12 11.535 -1.760 -4.926
90 1HG2 VAL 12 1HG2 VAL 12 9.659 -0.165 -1.874
91 2HG2 VAL 12 2HG2 VAL 12 9.530 -0.215 -3.648
92 3HG2 VAL 12 3HG2 VAL 12 9.010 -1.614 -2.679
93 H LEU 13 H LEU 13 9.689 -2.692 0.187
94 HA LEU 13 HA LEU 13 9.729 -5.521 -0.531
95 HB LEU 13 2HB LEU 13 9.535 -5.876 1.628
96 HB LEU 13 QB LEU 13 9.535 -5.876 1.628
97 HG LEU 13 HG LEU 13 10.474 -3.332 1.698
98 1HD1 LEU 13 3HD1 LEU 13 7.916 -2.707 1.930
99 2HD1 LEU 13 1HD1 LEU 13 8.216 -3.095 3.640
100 3HD1 LEU 13 2HD1 LEU 13 9.176 -1.832 2.833
101 1HD2 LEU 13 3HD2 LEU 13 9.915 -5.412 3.745
102 2HD2 LEU 13 1HD2 LEU 13 11.453 -4.672 3.241
103 3HD2 LEU 13 2HD2 LEU 13 10.359 -3.792 4.336
104 H CYS 14 H CYS 14 8.455 -5.892 -2.292
105 HA CYS 14 HA CYS 14 6.125 -4.337 -2.752
106 HB CYS 14 2HB CYS 14 6.022 -5.361 -4.801
107 HB CYS 14 QB CYS 14 6.022 -5.361 -4.801
108 HG CYS 14 HG CYS 14 8.475 -6.386 -5.620
109 H ILE 15 H ILE 15 3.987 -4.840 -2.212
110 HA ILE 15 HA ILE 15 3.582 -7.438 -0.902
111 HB ILE 15 HB ILE 15 3.021 -4.689 0.035
112 HG1 ILE 15 2HG1 ILE 15 3.495 -7.314 1.481
113 HG1 ILE 15 QG1 ILE 15 3.495 -7.314 1.481
114 1HG2 ILE 15 3HG2 ILE 15 1.004 -6.911 0.174
115 2HG2 ILE 15 1HG2 ILE 15 1.155 -5.750 1.514
116 3HG2 ILE 15 2HG2 ILE 15 0.766 -5.172 -0.124
117 1HD1 ILE 15 1HD1 ILE 15 5.290 -5.293 0.225
118 2HD1 ILE 15 2HD1 ILE 15 5.697 -5.738 1.900
119 3HD1 ILE 15 3HD1 ILE 15 5.606 -6.995 0.642
120 H ARG 16 H ARG 16 2.744 -8.451 -2.751
121 HA ARG 16 HA ARG 16 0.651 -7.094 -4.153
122 HB ARG 16 2HB ARG 16 0.969 -9.909 -4.882
123 HB ARG 16 QB ARG 16 0.969 -9.909 -4.882
124 HG ARG 16 2HG ARG 16 0.784 -7.307 -6.119
125 HG ARG 16 QG ARG 16 0.784 -7.307 -6.119
126 HD ARG 16 2HD ARG 16 3.110 -9.047 -7.071
127 HD ARG 16 QD ARG 16 3.110 -9.047 -7.071
128 HE ARG 16 HE ARG 16 1.412 -7.248 -8.578
129 1HH1 ARG 16 2HH2 ARG 16 4.794 -8.229 -8.183
130 2HH1 ARG 16 1HH2 ARG 16 5.243 -7.775 -9.794
131 HH2 ARG 16 1HH ARG 16 3.587 -6.850 -11.258
132 H LEU 17 H LEU 17 -1.320 -7.056 -3.076
133 HA LEU 17 HA LEU 17 -2.106 -9.457 -1.616
134 HB LEU 17 2HB LEU 17 -3.996 -7.836 -0.902
135 HB LEU 17 QB LEU 17 -3.996 -7.836 -0.902
136 HG LEU 17 HG LEU 17 -1.124 -7.525 -0.027
137 1HD1 LEU 17 1HD1 LEU 17 -2.955 -5.487 0.237
138 2HD1 LEU 17 2HD1 LEU 17 -3.123 -6.367 1.774
139 3HD1 LEU 17 3HD1 LEU 17 -1.530 -5.753 1.271
140 1HD2 LEU 17 2HD2 LEU 17 -2.206 -9.626 0.555
141 2HD2 LEU 17 3HD2 LEU 17 -1.933 -8.637 2.010
142 3HD2 LEU 17 1HD2 LEU 17 -3.562 -8.745 1.300
143 H THR 18 H THR 18 -3.688 -10.821 -2.324
144 HA THR 18 HA THR 18 -5.295 -9.901 -4.610
145 HB THR 18 HB THR 18 -4.993 -12.455 -5.292
146 HG1 THR 18 1HG THR 18 -3.528 -13.383 -3.920
147 1HG2 THR 18 3HG2 THR 18 -2.649 -10.489 -5.489
148 2HG2 THR 18 1HG2 THR 18 -2.867 -11.941 -6.495
149 3HG2 THR 18 2HG2 THR 18 -4.007 -10.582 -6.637
150 H GLY 19 H GLY 19 -7.362 -9.796 -4.021
151 1HA GLY 19 1HA GLY 19 -8.998 -11.780 -3.333
152 2HA GLY 19 2HA GLY 19 -8.285 -11.404 -1.778
153 H GLU 20 H GLU 20 -9.460 -9.997 -0.561
154 HA GLU 20 HA GLU 20 -10.872 -7.910 -2.030
155 HB GLU 20 2HB GLU 20 -12.306 -8.296 0.353
156 HB GLU 20 QB GLU 20 -12.306 -8.296 0.353
157 HG GLU 20 2HG GLU 20 -12.846 -8.139 -2.346
158 HG GLU 20 QG GLU 20 -12.846 -8.139 -2.346
159 HE2 GLU 20 HE GLU 20 -14.510 -9.799 -3.608
160 H LEU 21 H LEU 21 -11.314 -5.911 -0.676
161 HA LEU 21 HA LEU 21 -9.189 -5.593 1.329
162 HB LEU 21 2HB LEU 21 -9.795 -3.068 0.336
163 HB LEU 21 QB LEU 21 -9.795 -3.068 0.336
164 HG LEU 21 HG LEU 21 -7.558 -3.204 0.586
165 1HD1 LEU 21 1HD1 LEU 21 -7.888 -6.096 -0.136
166 2HD1 LEU 21 2HD1 LEU 21 -6.272 -5.352 -0.175
167 3HD1 LEU 21 3HD1 LEU 21 -7.214 -5.355 1.335
168 1HD2 LEU 21 1HD2 LEU 21 -8.033 -3.955 -2.290
169 2HD2 LEU 21 2HD2 LEU 21 -7.554 -2.389 -1.591
170 3HD2 LEU 21 3HD2 LEU 21 -6.385 -3.729 -1.656
171 H ASP 22 H ASP 22 -10.434 -6.055 3.154
172 HA ASP 22 HA ASP 22 -12.331 -3.978 3.766
173 HB ASP 22 2HB ASP 22 -13.917 -5.564 3.019
174 HB ASP 22 QB ASP 22 -13.917 -5.564 3.019
175 HD2 ASP 22 HD ASP 22 -14.003 -8.937 3.199
176 H HIS 23 H HIS 23 -13.011 -4.295 6.240
177 HA HIS 23 HA HIS 23 -10.855 -4.168 7.827
178 HB HIS 23 2HB HIS 23 -13.393 -3.776 8.276
179 HB HIS 23 QB HIS 23 -13.393 -3.776 8.276
180 HD1 HIS 23 1HD HIS 23 -12.782 -6.236 10.972
181 HD2 HIS 23 2HD HIS 23 -15.061 -6.025 7.457
182 HE1 HIS 23 1HE HIS 23 -14.498 -8.118 11.119
183 H HIS 24 H HIS 24 -12.341 -7.075 6.474
184 HA HIS 24 HA HIS 24 -11.066 -8.850 8.293
185 HB HIS 24 2HB HIS 24 -11.718 -10.454 6.254
186 HB HIS 24 QB HIS 24 -11.718 -10.454 6.254
187 HD1 HIS 24 1HD HIS 24 -15.025 -9.239 6.728
188 HD2 HIS 24 2HD HIS 24 -12.219 -11.087 9.240
189 HE1 HIS 24 1HE HIS 24 -16.345 -10.205 8.686
190 H THR 25 H THR 25 -10.556 -8.033 4.784
191 HA THR 25 HA THR 25 -8.018 -9.386 4.795
192 HB THR 25 HB THR 25 -8.070 -8.880 2.437
193 HG1 THR 25 1HG THR 25 -8.524 -6.559 2.861
194 1HG2 THR 25 3HG2 THR 25 -10.507 -9.792 3.706
195 2HG2 THR 25 1HG2 THR 25 -10.949 -8.695 2.376
196 3HG2 THR 25 2HG2 THR 25 -9.943 -10.127 2.051
197 H ALA 26 H ALA 26 -9.150 -6.298 5.797
198 HA ALA 26 HA ALA 26 -6.801 -4.842 5.100
199 1HB ALA 26 2HB ALA 26 -9.367 -4.407 6.513
200 2HB ALA 26 3HB ALA 26 -8.006 -3.443 7.135
201 3HB ALA 26 1HB ALA 26 -8.466 -3.331 5.419
202 H GLU 27 H GLU 27 -7.574 -7.246 7.447
203 HA GLU 27 HA GLU 27 -5.978 -6.272 9.537
204 HB GLU 27 2HB GLU 27 -6.162 -9.176 9.514
205 HB GLU 27 QB GLU 27 -6.162 -9.176 9.514
206 HG GLU 27 2HG GLU 27 -6.583 -6.963 11.277
207 HG GLU 27 QG GLU 27 -6.583 -6.963 11.277
208 HE2 GLU 27 HE GLU 27 -10.020 -6.703 11.269
209 H THR 28 H THR 28 -5.425 -8.553 6.790
210 HA THR 28 HA THR 28 -2.967 -9.536 7.421
211 HB THR 28 HB THR 28 -4.688 -9.550 5.246
212 HG1 THR 28 1HG THR 28 -1.865 -10.271 5.591
213 1HG2 THR 28 1HG2 THR 28 -3.516 -7.456 4.347
214 2HG2 THR 28 2HG2 THR 28 -2.008 -8.401 4.313
215 3HG2 THR 28 3HG2 THR 28 -3.382 -8.881 3.289
216 H LEU 29 H LEU 29 -3.670 -6.339 5.886
217 HA LEU 29 HA LEU 29 -0.918 -5.660 5.763
218 HB LEU 29 2HB LEU 29 -2.989 -3.543 5.765
219 HB LEU 29 QB LEU 29 -2.989 -3.543 5.765
220 HG LEU 29 HG LEU 29 -1.600 -2.494 4.386
221 1HD1 LEU 29 2HD1 LEU 29 0.033 -3.715 5.904
222 2HD1 LEU 29 3HD1 LEU 29 0.328 -4.814 4.535
223 3HD1 LEU 29 1HD1 LEU 29 0.683 -3.077 4.375
224 1HD2 LEU 29 3HD2 LEU 29 -2.374 -4.695 2.752
225 2HD2 LEU 29 1HD2 LEU 29 -1.832 -3.072 2.261
226 3HD2 LEU 29 2HD2 LEU 29 -0.644 -4.380 2.476
227 H LYS 30 H LYS 30 -3.449 -5.515 8.217
228 HA LYS 30 HA LYS 30 -2.385 -3.473 9.790
229 HB LYS 30 2HB LYS 30 -3.827 -5.839 10.958
230 HB LYS 30 QB LYS 30 -3.827 -5.839 10.958
231 HG LYS 30 2HG LYS 30 -5.040 -3.400 11.639
232 HG LYS 30 QG LYS 30 -5.040 -3.400 11.639
233 HD LYS 30 2HD LYS 30 -3.744 -5.569 12.927
234 HD LYS 30 QD LYS 30 -3.744 -5.569 12.927
235 HE LYS 30 2HE LYS 30 -2.292 -3.004 13.300
236 HE LYS 30 QE LYS 30 -2.292 -3.004 13.300
237 1HZ LYS 30 1HZ LYS 30 -2.813 -4.611 15.721
238 2HZ LYS 30 2HZ LYS 30 -2.180 -3.113 15.624
239 H GLN 31 H GLN 31 -1.719 -7.011 9.634
240 HA GLN 31 HA GLN 31 0.101 -6.836 11.810
241 HB GLN 31 2HB GLN 31 -1.106 -8.911 11.479
242 HB GLN 31 QB GLN 31 -1.106 -8.911 11.479
243 HG GLN 31 2HG GLN 31 0.117 -8.811 8.691
244 HG GLN 31 QG GLN 31 0.117 -8.811 8.691
245 1HE2 GLN 31 2HE2 GLN 31 -1.761 -12.320 8.980
246 2HE2 GLN 31 1HE2 GLN 31 -2.496 -10.758 8.843
247 H LYS 32 H LYS 32 0.197 -6.334 8.349
248 HA LYS 32 HA LYS 32 2.957 -6.924 8.011
249 HB LYS 32 2HB LYS 32 0.961 -5.393 6.321
250 HB LYS 32 QB LYS 32 0.961 -5.393 6.321
251 HG LYS 32 2HG LYS 32 3.217 -4.643 5.730
252 HG LYS 32 QG LYS 32 3.217 -4.643 5.730
253 HD LYS 32 2HD LYS 32 3.850 -7.621 5.824
254 HD LYS 32 QD LYS 32 3.850 -7.621 5.824
255 HE LYS 32 2HE LYS 32 5.060 -5.443 4.161
256 HE LYS 32 QE LYS 32 5.060 -5.443 4.161
257 1HZ LYS 32 1HZ LYS 32 7.201 -6.928 4.470
258 2HZ LYS 32 2HZ LYS 32 6.947 -5.648 5.445
259 H VAL 33 H VAL 33 1.088 -4.229 9.264
260 HA VAL 33 HA VAL 33 2.950 -2.191 8.755
261 HB VAL 33 HB VAL 33 0.995 -2.410 11.049
262 1HG1 VAL 33 3HG1 VAL 33 2.798 -0.503 10.797
263 2HG1 VAL 33 1HG1 VAL 33 1.658 0.123 9.581
264 3HG1 VAL 33 2HG1 VAL 33 1.125 -0.116 11.262
265 1HG2 VAL 33 2HG2 VAL 33 0.512 -2.299 8.171
266 2HG2 VAL 33 3HG2 VAL 33 -0.621 -2.598 9.510
267 3HG2 VAL 33 1HG2 VAL 33 -0.226 -0.929 9.034
268 H THR 34 H THR 34 2.294 -4.088 11.793
269 HA THR 34 HA THR 34 4.334 -3.123 13.319
270 HB THR 34 HB THR 34 2.992 -4.593 14.507
271 HG1 THR 34 1HG THR 34 4.759 -5.841 14.991
272 1HG2 THR 34 1HG2 THR 34 2.596 -5.792 11.829
273 2HG2 THR 34 2HG2 THR 34 2.724 -7.016 13.116
274 3HG2 THR 34 3HG2 THR 34 1.482 -5.746 13.217
275 H GLN 35 H GLN 35 4.555 -5.313 10.536
276 HA GLN 35 HA GLN 35 7.150 -6.184 11.124
277 HB GLN 35 2HB GLN 35 7.115 -7.181 8.953
278 HB GLN 35 QB GLN 35 7.115 -7.181 8.953
279 HG GLN 35 2HG GLN 35 4.969 -8.273 8.853
280 HG GLN 35 QG GLN 35 4.969 -8.273 8.853
281 1HE2 GLN 35 2HE2 GLN 35 4.881 -7.683 12.919
282 2HE2 GLN 35 1HE2 GLN 35 4.332 -6.499 11.780
283 H SER 36 H SER 36 5.796 -3.497 9.128
284 HA SER 36 HA SER 36 8.365 -2.700 8.250
285 HB SER 36 2HB SER 36 6.120 -0.733 8.185
286 HB SER 36 QB SER 36 6.120 -0.733 8.185
287 HG SER 36 HG SER 36 8.332 -1.305 6.750
288 H LEU 37 H LEU 37 6.358 -2.162 11.074
289 HA LEU 37 HA LEU 37 7.061 0.344 11.887
290 HB LEU 37 2HB LEU 37 7.100 -1.407 14.141
291 HB LEU 37 QB LEU 37 7.100 -1.407 14.141
292 HG LEU 37 HG LEU 37 5.116 -0.383 14.805
293 1HD1 LEU 37 3HD1 LEU 37 7.196 1.169 14.070
294 2HD1 LEU 37 1HD1 LEU 37 5.902 1.904 13.094
295 3HD1 LEU 37 2HD1 LEU 37 5.726 1.789 14.861
296 1HD2 LEU 37 1HD2 LEU 37 4.509 -0.267 11.891
297 2HD2 LEU 37 2HD2 LEU 37 3.479 -0.732 13.265
298 3HD2 LEU 37 3HD2 LEU 37 3.801 0.988 12.936
299 H GLU 38 H GLU 38 8.998 -2.658 11.894
300 HA GLU 38 HA GLU 38 11.350 -1.116 12.095
301 HB GLU 38 2HB GLU 38 12.056 -2.617 14.214
302 HB GLU 38 QB GLU 38 12.056 -2.617 14.214
303 HG GLU 38 2HG GLU 38 11.461 0.075 13.785
304 HG GLU 38 QG GLU 38 11.461 0.075 13.785
305 HE2 GLU 38 HE GLU 38 10.621 0.408 17.065
306 H LYS 39 H LYS 39 11.374 -2.318 9.995
307 HA LYS 39 HA LYS 39 11.534 -5.153 10.046
308 HB LYS 39 2HB LYS 39 12.615 -3.559 7.763
309 HB LYS 39 QB LYS 39 12.615 -3.559 7.763
310 HG LYS 39 2HG LYS 39 10.405 -5.565 7.543
311 HG LYS 39 QG LYS 39 10.405 -5.565 7.543
312 HD LYS 39 2HD LYS 39 11.763 -4.428 5.634
313 HD LYS 39 QD LYS 39 11.763 -4.428 5.634
314 HE LYS 39 2HE LYS 39 13.888 -5.784 7.098
315 HE LYS 39 QE LYS 39 13.888 -5.784 7.098
316 1HZ LYS 39 1HZ LYS 39 13.834 -6.456 4.221
317 2HZ LYS 39 2HZ LYS 39 14.816 -7.058 5.372
318 H ASP 40 H ASP 40 13.933 -2.456 9.772
319 HA ASP 40 HA ASP 40 15.814 -3.598 11.315
320 HB ASP 40 2HB ASP 40 17.409 -4.196 9.179
321 HB ASP 40 QB ASP 40 17.409 -4.196 9.179
322 HD2 ASP 40 HD ASP 40 16.632 -6.761 8.494
323 H ASP 41 H ASP 41 16.812 -2.814 7.969
324 HA ASP 41 HA ASP 41 18.081 -0.456 8.894
325 HB ASP 41 2HB ASP 41 17.699 -1.593 6.084
326 HB ASP 41 QB ASP 41 17.699 -1.593 6.084
327 HD2 ASP 41 HD ASP 41 19.066 -0.711 4.533
328 H ILE 42 H ILE 42 16.952 -0.024 5.673
329 HA ILE 42 HA ILE 42 14.478 1.277 6.430
330 HB ILE 42 HB ILE 42 16.956 2.724 5.607
331 HG1 ILE 42 2HG1 ILE 42 16.034 4.399 7.207
332 HG1 ILE 42 QG1 ILE 42 16.034 4.399 7.207
333 1HG2 ILE 42 1HG2 ILE 42 14.218 3.232 4.556
334 2HG2 ILE 42 2HG2 ILE 42 15.167 4.640 5.093
335 3HG2 ILE 42 3HG2 ILE 42 15.812 3.559 3.834
336 1HD1 ILE 42 2HD1 ILE 42 13.605 3.412 6.863
337 2HD1 ILE 42 3HD1 ILE 42 14.105 2.256 8.121
338 3HD1 ILE 42 1HD1 ILE 42 14.095 4.001 8.470
339 H ARG 43 H ARG 43 13.675 -0.561 5.177
340 HA ARG 43 HA ARG 43 14.490 -0.761 2.477
341 HB ARG 43 2HB ARG 43 12.133 -2.194 2.617
342 HB ARG 43 QB ARG 43 12.133 -2.194 2.617
343 HG ARG 43 2HG ARG 43 13.917 -3.537 2.028
344 HG ARG 43 QG ARG 43 13.917 -3.537 2.028
345 HD ARG 43 2HD ARG 43 15.416 -1.911 4.087
346 HD ARG 43 QD ARG 43 15.416 -1.911 4.087
347 HE ARG 43 HE ARG 43 15.872 -4.609 4.084
348 1HH1 ARG 43 2HH2 ARG 43 17.752 -1.913 2.759
349 2HH1 ARG 43 1HH2 ARG 43 19.274 -2.716 2.955
350 HH2 ARG 43 1HH ARG 43 19.326 -4.923 3.887
351 H HIS 44 H HIS 44 12.030 -1.194 1.099
352 HA HIS 44 HA HIS 44 10.665 1.374 1.380
353 HB HIS 44 2HB HIS 44 10.574 1.429 -1.158
354 HB HIS 44 QB HIS 44 10.574 1.429 -1.158
355 HD1 HIS 44 1HD HIS 44 11.710 3.238 1.124
356 HD2 HIS 44 2HD HIS 44 14.001 1.581 -1.974
357 HE1 HIS 44 1HE HIS 44 13.782 4.710 0.901
358 H ILE 45 H ILE 45 8.470 1.366 0.327
359 HA ILE 45 HA ILE 45 7.321 -1.309 0.621
360 HB ILE 45 HB ILE 45 5.444 -0.361 1.446
361 HG1 ILE 45 2HG1 ILE 45 4.903 2.150 0.946
362 HG1 ILE 45 QG1 ILE 45 4.903 2.150 0.946
363 1HG2 ILE 45 1HG2 ILE 45 7.417 0.300 2.842
364 2HG2 ILE 45 2HG2 ILE 45 7.367 1.896 2.056
365 3HG2 ILE 45 3HG2 ILE 45 5.986 1.341 3.032
366 1HD1 ILE 45 1HD1 ILE 45 7.290 1.822 -0.572
367 2HD1 ILE 45 2HD1 ILE 45 5.952 1.838 -1.745
368 3HD1 ILE 45 3HD1 ILE 45 6.161 3.198 -0.617
369 H VAL 46 H VAL 46 5.562 -1.929 -0.904
370 HA VAL 46 HA VAL 46 5.398 -0.490 -3.370
371 HB VAL 46 HB VAL 46 7.223 -2.789 -3.045
372 1HG1 VAL 46 2HG1 VAL 46 5.375 -3.867 -4.259
373 2HG1 VAL 46 3HG1 VAL 46 5.427 -2.578 -5.485
374 3HG1 VAL 46 1HG1 VAL 46 6.813 -3.677 -5.292
375 1HG2 VAL 46 3HG2 VAL 46 7.664 -0.305 -3.782
376 2HG2 VAL 46 1HG2 VAL 46 8.546 -1.644 -4.558
377 3HG2 VAL 46 2HG2 VAL 46 7.153 -0.901 -5.381
378 H LEU 47 H LEU 47 3.171 -0.456 -2.714
379 HA LEU 47 HA LEU 47 1.860 -2.999 -2.343
380 HB LEU 47 2HB LEU 47 -0.172 -1.452 -2.194
381 HB LEU 47 QB LEU 47 -0.172 -1.452 -2.194
382 HG LEU 47 HG LEU 47 0.223 -0.741 0.035
383 1HD1 LEU 47 1HD1 LEU 47 0.658 -3.348 -0.788
384 2HD1 LEU 47 2HD1 LEU 47 2.019 -3.024 0.313
385 3HD1 LEU 47 3HD1 LEU 47 0.346 -2.800 0.877
386 1HD2 LEU 47 1HD2 LEU 47 2.382 0.437 -0.486
387 2HD2 LEU 47 2HD2 LEU 47 2.347 -0.435 1.064
388 3HD2 LEU 47 3HD2 LEU 47 3.200 -1.136 -0.333
389 H ASN 48 H ASN 48 0.124 -3.785 -3.709
390 HA ASN 48 HA ASN 48 -0.563 -2.562 -6.082
391 HB ASN 48 2HB ASN 48 1.509 -2.979 -7.132
392 HB ASN 48 QB ASN 48 1.509 -2.979 -7.132
393 1HD2 ASN 48 2HD2 ASN 48 4.043 -5.236 -6.229
394 2HD2 ASN 48 1HD2 ASN 48 3.436 -4.136 -7.420
395 H LEU 49 H LEU 49 -2.658 -3.406 -5.979
396 HA LEU 49 HA LEU 49 -2.914 -6.259 -5.350
397 HB LEU 49 2HB LEU 49 -4.129 -4.031 -4.238
398 HB LEU 49 QB LEU 49 -4.129 -4.031 -4.238
399 HG LEU 49 HG LEU 49 -5.844 -5.022 -6.387
400 1HD1 LEU 49 2HD1 LEU 49 -6.627 -5.552 -3.568
401 2HD1 LEU 49 3HD1 LEU 49 -7.862 -4.847 -4.639
402 3HD1 LEU 49 1HD1 LEU 49 -7.086 -6.389 -5.071
403 1HD2 LEU 49 3HD2 LEU 49 -5.188 -2.602 -5.328
404 2HD2 LEU 49 1HD2 LEU 49 -6.598 -2.909 -6.371
405 3HD2 LEU 49 2HD2 LEU 49 -6.789 -2.876 -4.601
406 H GLU 50 H GLU 50 -3.504 -7.647 -6.933
407 HA GLU 50 HA GLU 50 -4.340 -6.421 -9.429
408 HB GLU 50 2HB GLU 50 -3.811 -9.287 -9.587
409 HB GLU 50 QB GLU 50 -3.811 -9.287 -9.587
410 HG GLU 50 2HG GLU 50 -1.832 -8.171 -11.011
411 HG GLU 50 QG GLU 50 -1.832 -8.171 -11.011
412 HE2 GLU 50 HE GLU 50 -3.953 -7.845 -13.772
413 H ASP 51 H ASP 51 -5.450 -8.321 -6.723
414 HA ASP 51 HA ASP 51 -7.754 -9.186 -8.271
415 HB ASP 51 2HB ASP 51 -6.602 -10.048 -5.585
416 HB ASP 51 QB ASP 51 -6.602 -10.048 -5.585
417 HD2 ASP 51 HD ASP 51 -7.545 -12.132 -5.029
418 H LEU 52 H LEU 52 -8.307 -6.707 -8.103
419 HA LEU 52 HA LEU 52 -9.262 -5.962 -5.456
420 HB LEU 52 2HB LEU 52 -8.842 -4.456 -8.031
421 HB LEU 52 QB LEU 52 -8.842 -4.456 -8.031
422 HG LEU 52 HG LEU 52 -9.428 -2.403 -6.947
423 1HD1 LEU 52 2HD1 LEU 52 -11.233 -4.054 -7.951
424 2HD1 LEU 52 3HD1 LEU 52 -11.835 -4.042 -6.276
425 3HD1 LEU 52 1HD1 LEU 52 -11.699 -2.517 -7.183
426 1HD2 LEU 52 2HD2 LEU 52 -8.735 -3.152 -4.649
427 2HD2 LEU 52 3HD2 LEU 52 -10.229 -2.186 -4.717
428 3HD2 LEU 52 1HD2 LEU 52 -10.319 -3.951 -4.505
429 H SER 53 H SER 53 -11.353 -6.179 -4.856
430 HA SER 53 HA SER 53 -13.305 -6.305 -7.005
431 HB SER 53 2HB SER 53 -12.741 -8.362 -4.893
432 HB SER 53 QB SER 53 -12.741 -8.362 -4.893
433 HG SER 53 HG SER 53 -15.373 -7.601 -5.804
434 H PHE 54 H PHE 54 -13.783 -6.971 -3.504
435 HA PHE 54 HA PHE 54 -15.831 -5.089 -3.282
436 HB PHE 54 2HB PHE 54 -13.953 -6.504 -1.300
437 HB PHE 54 QB PHE 54 -13.953 -6.504 -1.300
438 HD1 PHE 54 2HD PHE 54 -16.492 -3.960 -1.593
439 HD2 PHE 54 1HD PHE 54 -14.804 -6.836 1.031
440 HE1 PHE 54 2HE PHE 54 -17.540 -2.788 0.365
441 HE2 PHE 54 1HE PHE 54 -15.850 -5.665 2.989
442 HZ PHE 54 HZ PHE 54 -17.205 -3.654 2.633
443 H MET 55 H MET 55 -12.500 -5.038 -1.807
444 HA MET 55 HA MET 55 -11.414 -3.362 -0.871
445 HB MET 55 2HB MET 55 -11.821 -2.930 -3.737
446 HB MET 55 QB MET 55 -11.821 -2.930 -3.737
447 HG MET 55 2HG MET 55 -10.811 -0.478 -3.503
448 HG MET 55 QG MET 55 -10.811 -0.478 -3.503
449 1HE MET 55 3HE MET 55 -12.237 -2.138 -5.333
450 2HE MET 55 1HE MET 55 -13.568 -2.855 -4.393
451 3HE MET 55 2HE MET 55 -13.925 -1.742 -5.736
452 H ASP 56 H ASP 56 -12.572 -2.587 0.917
453 HA ASP 56 HA ASP 56 -14.402 -0.400 0.316
454 HB ASP 56 2HB ASP 56 -14.235 -2.330 2.670
455 HB ASP 56 QB ASP 56 -14.235 -2.330 2.670
456 HD2 ASP 56 HD ASP 56 -17.137 -1.062 1.988
457 H SER 57 H SER 57 -14.473 1.208 2.374
458 HA SER 57 HA SER 57 -11.867 2.203 2.640
459 HB SER 57 2HB SER 57 -14.149 3.459 2.668
460 HB SER 57 QB SER 57 -14.149 3.459 2.668
461 HG SER 57 HG SER 57 -15.010 2.266 4.531
462 H SER 58 H SER 58 -13.284 -0.451 4.073
463 HA SER 58 HA SER 58 -12.821 -0.155 6.752
464 HB SER 58 2HB SER 58 -13.007 -2.525 6.891
465 HB SER 58 QB SER 58 -13.007 -2.525 6.891
466 HG SER 58 HG SER 58 -14.891 -2.631 5.891
467 H GLY 59 H GLY 59 -10.604 -1.051 4.064
468 1HA GLY 59 1HA GLY 59 -8.380 -1.422 5.921
469 2HA GLY 59 2HA GLY 59 -8.394 -1.731 4.197
470 H LEU 60 H LEU 60 -9.947 1.153 4.294
471 HA LEU 60 HA LEU 60 -7.913 2.621 3.202
472 HB LEU 60 2HB LEU 60 -9.849 4.207 4.712
473 HB LEU 60 QB LEU 60 -9.849 4.207 4.712
474 HG LEU 60 HG LEU 60 -10.603 4.756 2.307
475 1HD1 LEU 60 2HD1 LEU 60 -9.091 6.098 3.904
476 2HD1 LEU 60 3HD1 LEU 60 -7.750 5.532 2.879
477 3HD1 LEU 60 1HD1 LEU 60 -9.065 6.500 2.170
478 1HD2 LEU 60 2HD2 LEU 60 -9.355 2.663 1.436
479 2HD2 LEU 60 3HD2 LEU 60 -9.282 4.168 0.491
480 3HD2 LEU 60 1HD2 LEU 60 -7.905 3.691 1.512
481 H GLY 61 H GLY 61 -8.913 2.329 6.652
482 1HA GLY 61 1HA GLY 61 -6.944 4.229 7.544
483 2HA GLY 61 2HA GLY 61 -7.982 3.214 8.526
484 H VAL 62 H VAL 62 -7.238 0.664 7.194
485 HA VAL 62 HA VAL 62 -5.040 0.011 8.804
486 HB VAL 62 HB VAL 62 -7.018 -1.296 7.352
487 1HG1 VAL 62 3HG1 VAL 62 -4.281 -2.070 6.285
488 2HG1 VAL 62 1HG1 VAL 62 -5.781 -2.998 6.043
489 3HG1 VAL 62 2HG1 VAL 62 -5.625 -1.363 5.357
490 1HG2 VAL 62 3HG2 VAL 62 -5.763 -1.776 9.602
491 2HG2 VAL 62 1HG2 VAL 62 -6.481 -3.118 8.681
492 3HG2 VAL 62 2HG2 VAL 62 -4.730 -2.810 8.586
493 H ILE 63 H ILE 63 -5.340 1.385 5.585
494 HA ILE 63 HA ILE 63 -2.588 0.692 4.950
495 HB ILE 63 HB ILE 63 -4.970 1.638 3.464
496 HG1 ILE 63 2HG1 ILE 63 -3.320 -0.667 3.571
497 HG1 ILE 63 QG1 ILE 63 -3.320 -0.667 3.571
498 1HG2 ILE 63 1HG2 ILE 63 -2.216 2.651 2.961
499 2HG2 ILE 63 2HG2 ILE 63 -3.177 2.138 1.553
500 3HG2 ILE 63 3HG2 ILE 63 -3.798 3.402 2.642
501 1HD1 ILE 63 1HD1 ILE 63 -5.809 -0.533 3.220
502 2HD1 ILE 63 2HD1 ILE 63 -5.508 0.093 1.582
503 3HD1 ILE 63 3HD1 ILE 63 -4.990 -1.554 2.012
504 H LEU 64 H LEU 64 -4.656 3.420 5.954
505 HA LEU 64 HA LEU 64 -2.728 5.418 5.451
506 HB LEU 64 2HB LEU 64 -4.685 5.873 7.602
507 HB LEU 64 QB LEU 64 -4.685 5.873 7.602
508 HG LEU 64 HG LEU 64 -5.178 7.864 6.529
509 1HD1 LEU 64 3HD1 LEU 64 -2.585 7.345 7.082
510 2HD1 LEU 64 1HD1 LEU 64 -2.455 7.812 5.369
511 3HD1 LEU 64 2HD1 LEU 64 -3.191 8.929 6.542
512 1HD2 LEU 64 1HD2 LEU 64 -5.346 6.407 4.237
513 2HD2 LEU 64 2HD2 LEU 64 -5.444 8.182 4.323
514 3HD2 LEU 64 3HD2 LEU 64 -3.902 7.395 3.913
515 H GLY 65 H GLY 65 -3.502 3.300 8.248
516 1HA GLY 65 1HA GLY 65 -1.941 4.536 10.185
517 2HA GLY 65 2HA GLY 65 -2.341 2.832 10.114
518 H ARG 66 H ARG 66 -1.012 2.717 7.302
519 HA ARG 66 HA ARG 66 1.582 2.159 8.372
520 HB ARG 66 2HB ARG 66 1.291 1.785 5.467
521 HB ARG 66 QB ARG 66 1.291 1.785 5.467
522 HG ARG 66 2HG ARG 66 1.272 -0.675 6.973
523 HG ARG 66 QG ARG 66 1.272 -0.675 6.973
524 HD ARG 66 2HD ARG 66 3.785 -0.574 6.187
525 HD ARG 66 QD ARG 66 3.785 -0.574 6.187
526 HE ARG 66 HE ARG 66 1.362 -0.801 4.513
527 1HH1 ARG 66 2HH2 ARG 66 4.873 -1.241 4.702
528 2HH1 ARG 66 1HH2 ARG 66 4.930 -2.347 3.371
529 HH2 ARG 66 1HH ARG 66 2.899 -2.932 2.242
530 H TYR 67 H TYR 67 0.107 4.109 5.681
531 HA TYR 67 HA TYR 67 2.247 5.230 4.531
532 HB TYR 67 2HB TYR 67 0.045 7.076 5.492
533 HB TYR 67 QB TYR 67 0.045 7.076 5.492
534 HD1 TYR 67 2HD TYR 67 1.393 8.776 4.284
535 HD2 TYR 67 1HD TYR 67 -0.190 5.339 2.287
536 HE1 TYR 67 2HE TYR 67 1.787 9.892 2.034
537 HE2 TYR 67 1HE TYR 67 0.210 6.467 0.044
538 HH TYR 67 HH TYR 67 0.818 9.734 -0.246
539 H LYS 68 H LYS 68 0.928 6.043 7.773
540 HA LYS 68 HA LYS 68 2.741 8.248 8.074
541 HB LYS 68 2HB LYS 68 1.715 8.549 10.211
542 HB LYS 68 QB LYS 68 1.715 8.549 10.211
543 HG LYS 68 2HG LYS 68 -0.834 7.815 9.313
544 HG LYS 68 QG LYS 68 -0.834 7.815 9.313
545 HD LYS 68 2HD LYS 68 -0.829 10.172 8.305
546 HD LYS 68 QD LYS 68 -0.829 10.172 8.305
547 HE LYS 68 2HE LYS 68 -0.689 9.341 11.004
548 HE LYS 68 QE LYS 68 -0.689 9.341 11.004
549 1HZ LYS 68 1HZ LYS 68 0.757 11.892 10.840
550 2HZ LYS 68 2HZ LYS 68 0.714 10.823 12.067
551 H GLN 69 H GLN 69 2.536 4.797 9.000
552 HA GLN 69 HA GLN 69 4.714 4.930 10.766
553 HB GLN 69 2HB GLN 69 3.179 2.714 9.402
554 HB GLN 69 QB GLN 69 3.179 2.714 9.402
555 HG GLN 69 2HG GLN 69 4.967 1.614 11.360
556 HG GLN 69 QG GLN 69 4.967 1.614 11.360
557 1HE2 GLN 69 2HE2 GLN 69 5.024 0.632 7.325
558 2HE2 GLN 69 1HE2 GLN 69 5.287 2.254 7.872
559 H ILE 70 H ILE 70 4.332 3.965 7.300
560 HA ILE 70 HA ILE 70 6.926 3.113 6.873
561 HB ILE 70 HB ILE 70 5.209 2.650 5.307
562 HG1 ILE 70 2HG1 ILE 70 7.164 4.572 4.009
563 HG1 ILE 70 QG1 ILE 70 7.164 4.572 4.009
564 1HG2 ILE 70 3HG2 ILE 70 4.125 5.027 5.839
565 2HG2 ILE 70 1HG2 ILE 70 4.951 5.448 4.318
566 3HG2 ILE 70 2HG2 ILE 70 3.765 4.121 4.350
567 1HD1 ILE 70 2HD1 ILE 70 7.374 1.602 4.690
568 2HD1 ILE 70 3HD1 ILE 70 8.520 2.496 3.661
569 3HD1 ILE 70 1HD1 ILE 70 8.357 2.915 5.384
570 H LYS 71 H LYS 71 5.481 6.420 6.651
571 HA LYS 71 HA LYS 71 7.933 7.602 5.850
572 HB LYS 71 2HB LYS 71 6.206 9.532 7.028
573 HB LYS 71 QB LYS 71 6.206 9.532 7.028
574 HG LYS 71 2HG LYS 71 5.771 9.287 4.200
575 HG LYS 71 QG LYS 71 5.771 9.287 4.200
576 HD LYS 71 2HD LYS 71 7.012 11.122 6.139
577 HD LYS 71 QD LYS 71 7.012 11.122 6.139
578 HE LYS 71 2HE LYS 71 8.026 11.541 3.341
579 HE LYS 71 QE LYS 71 8.026 11.541 3.341
580 1HZ LYS 71 1HZ LYS 71 9.203 12.047 6.022
581 2HZ LYS 71 2HZ LYS 71 9.793 12.596 4.607
582 H GLN 72 H GLN 72 6.563 6.531 8.887
583 HA GLN 72 HA GLN 72 7.996 8.316 10.513
584 HB GLN 72 2HB GLN 72 6.002 6.374 10.870
585 HB GLN 72 QB GLN 72 6.002 6.374 10.870
586 HG GLN 72 2HG GLN 72 8.525 5.645 12.434
587 HG GLN 72 QG GLN 72 8.525 5.645 12.434
588 1HE2 GLN 72 2HE2 GLN 72 6.735 4.131 14.969
589 2HE2 GLN 72 1HE2 GLN 72 8.238 4.672 14.298
590 H ILE 73 H ILE 73 8.798 5.374 8.773
591 HA ILE 73 HA ILE 73 11.084 4.781 10.417
592 HB ILE 73 HB ILE 73 10.355 3.647 7.720
593 HG1 ILE 73 2HG1 ILE 73 8.637 3.612 9.825
594 HG1 ILE 73 QG1 ILE 73 8.637 3.612 9.825
595 1HG2 ILE 73 1HG2 ILE 73 12.561 3.254 9.442
596 2HG2 ILE 73 2HG2 ILE 73 11.543 1.799 9.567
597 3HG2 ILE 73 3HG2 ILE 73 12.128 2.343 7.976
598 1HD1 ILE 73 1HD1 ILE 73 8.728 2.525 7.324
599 2HD1 ILE 73 2HD1 ILE 73 8.828 1.045 8.309
600 3HD1 ILE 73 3HD1 ILE 73 7.448 2.153 8.504
601 H GLY 74 H GLY 74 10.290 6.597 7.466
602 1HA GLY 74 1HA GLY 74 11.737 8.429 6.915
603 2HA GLY 74 2HA GLY 74 13.120 7.442 7.344
604 H GLY 75 H GLY 75 10.471 5.841 5.668
605 1HA GLY 75 1HA GLY 75 12.166 5.668 3.263
606 2HA GLY 75 2HA GLY 75 10.965 4.501 3.776
607 H GLU 76 H GLU 76 9.652 4.520 1.925
608 HA GLU 76 HA GLU 76 8.101 6.946 1.654
609 HB GLU 76 2HB GLU 76 8.465 7.242 -0.635
610 HB GLU 76 QB GLU 76 8.465 7.242 -0.635
611 HG GLU 76 2HG GLU 76 10.956 6.845 -1.086
612 HG GLU 76 QG GLU 76 10.956 6.845 -1.086
613 HE2 GLU 76 HE GLU 76 12.536 8.229 0.438
614 H MET 77 H MET 77 5.943 6.576 0.804
615 HA MET 77 HA MET 77 5.268 3.735 0.799
616 HB MET 77 2HB MET 77 4.317 4.908 2.753
617 HB MET 77 QB MET 77 4.317 4.908 2.753
618 HG MET 77 2HG MET 77 2.500 6.750 2.030
619 HG MET 77 QG MET 77 2.500 6.750 2.030
620 1HE MET 77 1HE MET 77 4.394 8.793 0.653
621 2HE MET 77 2HE MET 77 4.453 9.871 2.067
622 3HE MET 77 3HE MET 77 5.950 9.136 1.446
623 H VAL 78 H VAL 78 4.388 2.931 -1.066
624 HA VAL 78 HA VAL 78 3.074 4.846 -2.852
625 HB VAL 78 HB VAL 78 5.124 2.761 -3.632
626 1HG1 VAL 78 1HG1 VAL 78 3.229 4.465 -5.231
627 2HG1 VAL 78 2HG1 VAL 78 4.817 4.028 -5.906
628 3HG1 VAL 78 3HG1 VAL 78 3.668 2.752 -5.437
629 1HG2 VAL 78 1HG2 VAL 78 5.217 5.783 -3.504
630 2HG2 VAL 78 2HG2 VAL 78 6.308 4.604 -2.737
631 3HG2 VAL 78 3HG2 VAL 78 6.342 4.831 -4.502
632 H VAL 79 H VAL 79 1.309 3.992 -4.029
633 HA VAL 79 HA VAL 79 0.717 1.174 -3.651
634 HB VAL 79 HB VAL 79 -0.242 2.237 -1.690
635 1HG1 VAL 79 2HG1 VAL 79 -1.523 4.087 -3.710
636 2HG1 VAL 79 3HG1 VAL 79 -2.195 3.857 -2.078
637 3HG1 VAL 79 1HG1 VAL 79 -0.547 4.498 -2.279
638 1HG2 VAL 79 1HG2 VAL 79 -2.144 1.249 -3.817
639 2HG2 VAL 79 2HG2 VAL 79 -1.508 0.392 -2.393
640 3HG2 VAL 79 3HG2 VAL 79 -2.715 1.683 -2.188
641 H CYS 80 H CYS 80 -0.277 0.312 -5.442
642 HA CYS 80 HA CYS 80 -1.441 2.213 -7.323
643 HB CYS 80 2HB CYS 80 0.801 1.865 -8.162
644 HB CYS 80 QB CYS 80 0.801 1.865 -8.162
645 HG CYS 80 HG CYS 80 1.090 -0.863 -9.221
646 H ALA 81 H ALA 81 -2.186 0.360 -9.303
647 HA ALA 81 HA ALA 81 -3.570 -1.305 -9.798
648 1HB ALA 81 2HB ALA 81 -2.201 -2.274 -7.486
649 2HB ALA 81 3HB ALA 81 -3.923 -2.688 -7.299
650 3HB ALA 81 1HB ALA 81 -3.033 -3.214 -8.748
651 H ILE 82 H ILE 82 -4.578 1.193 -9.250
652 HA ILE 82 HA ILE 82 -6.765 0.835 -7.373
653 HB ILE 82 HB ILE 82 -5.231 2.917 -7.680
654 HG1 ILE 82 2HG1 ILE 82 -8.214 2.897 -7.231
655 HG1 ILE 82 QG1 ILE 82 -8.214 2.897 -7.231
656 1HG2 ILE 82 2HG2 ILE 82 -6.336 2.852 -10.228
657 2HG2 ILE 82 3HG2 ILE 82 -7.229 4.150 -9.399
658 3HG2 ILE 82 1HG2 ILE 82 -5.452 4.204 -9.481
659 1HD1 ILE 82 2HD1 ILE 82 -6.413 1.881 -5.622
660 2HD1 ILE 82 3HD1 ILE 82 -5.983 3.576 -5.291
661 3HD1 ILE 82 1HD1 ILE 82 -7.627 2.990 -4.940
662 H SER 83 H SER 83 -8.452 2.740 -9.027
663 HA SER 83 HA SER 83 -8.974 1.659 -11.491
664 HB SER 83 2HB SER 83 -9.794 -0.126 -9.469
665 HB SER 83 QB SER 83 -9.794 -0.126 -9.469
666 HG SER 83 HG SER 83 -11.727 0.762 -8.951
667 HA PRO 84 HA PRO 84 -11.818 4.956 -11.386
668 HB PRO 84 2HB PRO 84 -12.273 4.832 -13.640
669 HB PRO 84 QB PRO 84 -12.273 4.832 -13.640
670 HG PRO 84 2HG PRO 84 -11.979 2.741 -14.568
671 HG PRO 84 QG PRO 84 -11.979 2.741 -14.568
672 HD PRO 84 2HD PRO 84 -10.478 1.841 -13.079
673 HD PRO 84 QD PRO 84 -10.478 1.841 -13.079
674 H ALA 85 H ALA 85 -12.608 2.130 -9.947
675 HA ALA 85 HA ALA 85 -14.899 3.445 -8.673
676 1HB ALA 85 3HB ALA 85 -14.833 0.953 -10.223
677 2HB ALA 85 1HB ALA 85 -15.465 0.720 -8.576
678 3HB ALA 85 2HB ALA 85 -16.225 1.908 -9.662
679 H VAL 86 H VAL 86 -11.923 3.124 -8.092
680 HA VAL 86 HA VAL 86 -12.309 1.940 -5.446
681 HB VAL 86 HB VAL 86 -10.239 1.240 -7.504
682 1HG1 VAL 86 3HG1 VAL 86 -9.745 1.715 -4.670
683 2HG1 VAL 86 1HG1 VAL 86 -9.387 0.035 -5.136
684 3HG1 VAL 86 2HG1 VAL 86 -8.598 1.382 -5.991
685 1HG2 VAL 86 2HG2 VAL 86 -12.431 -0.092 -6.142
686 2HG2 VAL 86 3HG2 VAL 86 -11.478 -0.618 -7.550
687 3HG2 VAL 86 1HG2 VAL 86 -10.900 -0.966 -5.903
688 H LYS 87 H LYS 87 -10.550 4.100 -7.699
689 HA LYS 87 HA LYS 87 -8.998 5.302 -5.643
690 HB LYS 87 2HB LYS 87 -8.668 5.145 -8.268
691 HB LYS 87 QB LYS 87 -8.668 5.145 -8.268
692 HG LYS 87 2HG LYS 87 -9.680 7.990 -8.029
693 HG LYS 87 QG LYS 87 -9.680 7.990 -8.029
694 HD LYS 87 2HD LYS 87 -9.499 6.104 -10.420
695 HD LYS 87 QD LYS 87 -9.499 6.104 -10.420
696 HE LYS 87 2HE LYS 87 -9.403 8.345 -11.638
697 HE LYS 87 QE LYS 87 -9.403 8.345 -11.638
698 1HZ LYS 87 1HZ LYS 87 -11.527 6.971 -11.123
699 2HZ LYS 87 2HZ LYS 87 -11.905 8.171 -10.090
700 H ARG 88 H ARG 88 -12.309 5.379 -6.411
701 HA ARG 88 HA ARG 88 -12.800 8.091 -5.983
702 HB ARG 88 2HB ARG 88 -14.342 6.261 -7.023
703 HB ARG 88 QB ARG 88 -14.342 6.261 -7.023
704 HG ARG 88 2HG ARG 88 -16.039 5.466 -5.224
705 HG ARG 88 QG ARG 88 -16.039 5.466 -5.224
706 HD ARG 88 2HD ARG 88 -13.467 4.067 -4.641
707 HD ARG 88 QD ARG 88 -13.467 4.067 -4.641
708 HE ARG 88 HE ARG 88 -15.097 2.413 -4.533
709 1HH1 ARG 88 2HH2 ARG 88 -16.044 4.709 -7.062
710 2HH1 ARG 88 1HH2 ARG 88 -17.490 3.849 -7.473
711 HH2 ARG 88 1HH ARG 88 -18.036 1.836 -6.294
712 H LEU 89 H LEU 89 -12.237 5.306 -3.875
713 HA LEU 89 HA LEU 89 -13.504 6.179 -1.566
714 HB LEU 89 2HB LEU 89 -11.239 4.820 -0.730
715 HB LEU 89 QB LEU 89 -11.239 4.820 -0.730
716 HG LEU 89 HG LEU 89 -13.870 3.659 -1.686
717 1HD1 LEU 89 3HD1 LEU 89 -11.830 2.085 -1.573
718 2HD1 LEU 89 1HD1 LEU 89 -11.962 2.280 0.191
719 3HD1 LEU 89 2HD1 LEU 89 -13.325 1.605 -0.734
720 1HD2 LEU 89 1HD2 LEU 89 -14.087 5.285 0.145
721 2HD2 LEU 89 2HD2 LEU 89 -14.491 3.631 0.666
722 3HD2 LEU 89 3HD2 LEU 89 -12.922 4.345 1.111
723 H PHE 90 H PHE 90 -10.192 6.843 -2.850
724 HA PHE 90 HA PHE 90 -9.663 8.587 -0.614
725 HB PHE 90 2HB PHE 90 -7.450 8.729 -1.728
726 HB PHE 90 QB PHE 90 -7.450 8.729 -1.728
727 HD1 PHE 90 2HD PHE 90 -7.082 7.193 0.164
728 HD2 PHE 90 1HD PHE 90 -8.465 5.777 -3.590
729 HE1 PHE 90 2HE PHE 90 -6.464 4.850 0.820
730 HE2 PHE 90 1HE PHE 90 -7.848 3.434 -2.933
731 HZ PHE 90 HZ PHE 90 -6.855 2.999 -0.737
732 H ASP 91 H ASP 91 -10.811 8.767 -3.955
733 HA ASP 91 HA ASP 91 -10.095 11.423 -4.402
734 HB ASP 91 2HB ASP 91 -12.594 10.597 -5.716
735 HB ASP 91 QB ASP 91 -12.594 10.597 -5.716
736 HD2 ASP 91 HD ASP 91 -11.992 10.963 -8.365
737 H MET 92 H MET 92 -12.855 9.750 -2.851
738 HA MET 92 HA MET 92 -14.436 12.120 -2.736
739 HB MET 92 2HB MET 92 -14.704 9.400 -1.336
740 HB MET 92 QB MET 92 -14.704 9.400 -1.336
741 HG MET 92 2HG MET 92 -16.838 11.519 -1.885
742 HG MET 92 QG MET 92 -16.838 11.519 -1.885
743 1HE MET 92 1HE MET 92 -18.881 11.409 -0.799
744 2HE MET 92 2HE MET 92 -19.825 9.913 -0.598
745 3HE MET 92 3HE MET 92 -18.874 10.556 0.762
746 H SER 93 H SER 93 -12.160 10.342 -0.644
747 HA SER 93 HA SER 93 -12.910 11.571 1.739
748 HB SER 93 2HB SER 93 -10.046 10.820 1.425
749 HB SER 93 QB SER 93 -10.046 10.820 1.425
750 HG SER 93 HG SER 93 -10.656 10.768 3.522
751 H GLY 94 H GLY 94 -10.322 12.287 -0.701
752 1HA GLY 94 1HA GLY 94 -9.663 14.416 -1.331
753 2HA GLY 94 2HA GLY 94 -10.384 15.091 0.117
754 H LEU 95 H LEU 95 -8.523 12.177 0.623
755 HA LEU 95 HA LEU 95 -6.250 13.820 1.501
756 HB LEU 95 2HB LEU 95 -6.909 11.278 2.901
757 HB LEU 95 QB LEU 95 -6.909 11.278 2.901
758 HG LEU 95 HG LEU 95 -6.455 13.570 4.592
759 1HD1 LEU 95 1HD1 LEU 95 -5.607 10.791 4.295
760 2HD1 LEU 95 2HD1 LEU 95 -4.306 11.855 4.882
761 3HD1 LEU 95 3HD1 LEU 95 -5.851 11.770 5.762
762 1HD2 LEU 95 3HD2 LEU 95 -4.547 13.202 2.304
763 2HD2 LEU 95 1HD2 LEU 95 -5.164 14.698 3.046
764 3HD2 LEU 95 2HD2 LEU 95 -3.948 13.719 3.899
765 H PHE 96 H PHE 96 -7.147 12.040 -0.977
766 HA PHE 96 HA PHE 96 -5.707 9.769 -1.158
767 HB PHE 96 2HB PHE 96 -5.415 11.627 -3.479
768 HB PHE 96 QB PHE 96 -5.415 11.627 -3.479
769 HD1 PHE 96 1HD PHE 96 -5.068 8.576 -2.546
770 HD2 PHE 96 2HD PHE 96 -7.842 10.688 -4.966
771 HE1 PHE 96 1HE PHE 96 -5.561 6.470 -3.819
772 HE2 PHE 96 2HE PHE 96 -8.335 8.582 -6.239
773 HZ PHE 96 HZ PHE 96 -7.189 6.499 -5.651
774 H LYS 97 H LYS 97 -4.471 13.070 -0.942
775 HA LYS 97 HA LYS 97 -1.951 12.601 -2.088
776 HB LYS 97 2HB LYS 97 -1.347 14.720 -1.167
777 HB LYS 97 QB LYS 97 -1.347 14.720 -1.167
778 HG LYS 97 2HG LYS 97 -3.976 15.731 -1.390
779 HG LYS 97 QG LYS 97 -3.976 15.731 -1.390
780 HD LYS 97 2HD LYS 97 -3.032 15.595 -4.005
781 HD LYS 97 QD LYS 97 -3.032 15.595 -4.005
782 HE LYS 97 2HE LYS 97 -1.600 17.669 -2.560
783 HE LYS 97 QE LYS 97 -1.600 17.669 -2.560
784 1HZ LYS 97 1HZ LYS 97 -3.766 17.441 -4.498
785 2HZ LYS 97 2HZ LYS 97 -3.715 18.838 -3.661
786 H ILE 98 H ILE 98 -3.423 11.655 0.939
787 HA ILE 98 HA ILE 98 -0.850 11.231 2.203
788 HB ILE 98 HB ILE 98 -3.410 11.823 3.101
789 HG1 ILE 98 2HG1 ILE 98 -2.073 12.608 4.690
790 HG1 ILE 98 QG1 ILE 98 -2.073 12.608 4.690
791 1HG2 ILE 98 3HG2 ILE 98 -2.700 8.961 3.779
792 2HG2 ILE 98 1HG2 ILE 98 -3.870 9.943 4.692
793 3HG2 ILE 98 2HG2 ILE 98 -4.171 9.563 2.979
794 1HD1 ILE 98 2HD1 ILE 98 -1.721 9.658 5.370
795 2HD1 ILE 98 3HD1 ILE 98 -1.065 10.976 6.369
796 3HD1 ILE 98 1HD1 ILE 98 -2.823 10.823 6.142
797 H ILE 99 H ILE 99 -2.776 9.680 -0.100
798 HA ILE 99 HA ILE 99 -1.741 7.061 0.743
799 HB ILE 99 HB ILE 99 -4.271 7.848 -0.678
800 HG1 ILE 99 2HG1 ILE 99 -5.288 6.409 1.077
801 HG1 ILE 99 QG1 ILE 99 -5.288 6.409 1.077
802 1HG2 ILE 99 3HG2 ILE 99 -3.063 6.009 -1.913
803 2HG2 ILE 99 1HG2 ILE 99 -3.245 5.013 -0.449
804 3HG2 ILE 99 2HG2 ILE 99 -4.687 5.600 -1.311
805 1HD1 ILE 99 2HD1 ILE 99 -3.056 5.141 1.488
806 2HD1 ILE 99 3HD1 ILE 99 -2.588 6.554 2.464
807 3HD1 ILE 99 1HD1 ILE 99 -4.016 5.592 2.917
808 H ARG 100 H ARG 100 -1.601 9.661 -1.531
809 HA ARG 100 HA ARG 100 -0.921 9.758 -3.640
810 HB ARG 100 2HB ARG 100 1.427 8.298 -2.327
811 HB ARG 100 QB ARG 100 1.427 8.298 -2.327
812 HG ARG 100 2HG ARG 100 1.078 9.796 -4.894
813 HG ARG 100 QG ARG 100 1.078 9.796 -4.894
814 HD ARG 100 2HD ARG 100 3.573 10.452 -4.734
815 HD ARG 100 QD ARG 100 3.573 10.452 -4.734
816 HE ARG 100 HE ARG 100 2.318 12.261 -2.869
817 1HH1 ARG 100 2HH2 ARG 100 1.993 11.038 -6.178
818 2HH1 ARG 100 1HH2 ARG 100 1.180 12.455 -6.754
819 HH2 ARG 100 1HH ARG 100 0.752 14.261 -5.238
820 H PHE 101 H PHE 101 -2.297 8.364 -4.891
821 HA PHE 101 HA PHE 101 -1.244 5.656 -5.296
822 HB PHE 101 2HB PHE 101 -3.912 6.417 -6.391
823 HB PHE 101 QB PHE 101 -3.912 6.417 -6.391
824 HD1 PHE 101 2HD PHE 101 -3.379 4.087 -7.263
825 HD2 PHE 101 1HD PHE 101 -3.993 4.913 -3.147
826 HE1 PHE 101 2HE PHE 101 -3.827 1.653 -6.842
827 HE2 PHE 101 1HE PHE 101 -4.441 2.479 -2.725
828 HZ PHE 101 HZ PHE 101 -4.353 0.879 -4.577
829 H GLU 102 H GLU 102 -1.771 4.791 -7.612
830 HA GLU 102 HA GLU 102 -1.607 6.917 -9.564
831 HB GLU 102 2HB GLU 102 0.301 4.686 -10.058
832 HB GLU 102 QB GLU 102 0.301 4.686 -10.058
833 HG GLU 102 2HG GLU 102 1.578 6.389 -11.087
834 HG GLU 102 QG GLU 102 1.578 6.389 -11.087
835 HE1 GLU 102 HE GLU 102 0.592 6.302 -13.109
836 H GLN 103 H GLN 103 -0.717 4.696 -11.546
837 HA GLN 103 HA GLN 103 -2.930 2.894 -11.445
838 HB GLN 103 2HB GLN 103 -3.796 3.566 -13.709
839 HB GLN 103 QB GLN 103 -3.796 3.566 -13.709
840 HG GLN 103 2HG GLN 103 -3.844 5.801 -11.627
841 HG GLN 103 QG GLN 103 -3.844 5.801 -11.627
842 1HE2 GLN 103 2HE2 GLN 103 -6.669 7.282 -13.156
843 2HE2 GLN 103 1HE2 GLN 103 -5.846 6.984 -11.662
844 H SER 104 H SER 104 -1.477 1.163 -11.515
845 HA SER 104 HA SER 104 0.036 -0.203 -12.280
846 HB SER 104 2HB SER 104 -1.229 0.751 -14.870
847 HB SER 104 QB SER 104 -1.229 0.751 -14.870
848 HG SER 104 HG SER 104 0.810 -0.066 -15.502
849 H GLU 105 H GLU 105 0.162 2.517 -14.709
850 HA GLU 105 HA GLU 105 2.659 2.448 -15.469
851 HB GLU 105 2HB GLU 105 1.107 4.917 -14.587
852 HB GLU 105 QB GLU 105 1.107 4.917 -14.587
853 HG GLU 105 2HG GLU 105 3.829 4.611 -15.791
854 HG GLU 105 QG GLU 105 3.829 4.611 -15.791
855 HE2 GLU 105 HE GLU 105 1.812 7.655 -17.378
856 H GLN 106 H GLN 106 1.577 3.269 -12.185
857 HA GLN 106 HA GLN 106 3.922 4.451 -11.309
858 HB GLN 106 2HB GLN 106 1.516 3.202 -10.058
859 HB GLN 106 QB GLN 106 1.516 3.202 -10.058
860 HG GLN 106 2HG GLN 106 4.171 3.582 -8.611
861 HG GLN 106 QG GLN 106 4.171 3.582 -8.611
862 1HE2 GLN 106 2HE2 GLN 106 1.915 5.431 -6.453
863 2HE2 GLN 106 1HE2 GLN 106 2.826 5.608 -7.917
864 H GLN 107 H GLN 107 3.324 1.249 -12.348
865 HA GLN 107 HA GLN 107 4.491 -0.463 -10.765
866 HB GLN 107 2HB GLN 107 5.197 -0.144 -13.716
867 HB GLN 107 QB GLN 107 5.197 -0.144 -13.716
868 HG GLN 107 2HG GLN 107 4.896 -2.869 -12.751
869 HG GLN 107 QG GLN 107 4.896 -2.869 -12.751
870 1HE2 GLN 107 2HE2 GLN 107 8.599 -2.418 -14.120
871 2HE2 GLN 107 1HE2 GLN 107 8.066 -2.306 -12.476
872 H ALA 108 H ALA 108 6.141 2.265 -12.334
873 HA ALA 108 HA ALA 108 8.750 1.294 -11.538
874 1HB ALA 108 1HB ALA 108 7.791 2.879 -13.601
875 2HB ALA 108 2HB ALA 108 8.503 4.071 -12.488
876 3HB ALA 108 3HB ALA 108 9.497 2.734 -13.113
877 H LEU 109 H LEU 109 6.638 4.181 -10.870
878 HA LEU 109 HA LEU 109 8.251 5.089 -8.755
879 HB LEU 109 2HB LEU 109 5.547 5.947 -8.452
880 HB LEU 109 QB LEU 109 5.547 5.947 -8.452
881 HG LEU 109 HG LEU 109 8.055 7.231 -9.522
882 1HD1 LEU 109 3HD1 LEU 109 5.640 7.928 -10.559
883 2HD1 LEU 109 1HD1 LEU 109 5.730 9.008 -9.146
884 3HD1 LEU 109 2HD1 LEU 109 7.021 9.035 -10.371
885 1HD2 LEU 109 3HD2 LEU 109 7.557 6.826 -7.027
886 2HD2 LEU 109 1HD2 LEU 109 8.081 8.449 -7.535
887 3HD2 LEU 109 2HD2 LEU 109 6.362 8.134 -7.200
888 H LEU 110 H LEU 110 6.231 2.349 -9.050
889 HA LEU 110 HA LEU 110 5.099 2.267 -6.490
890 HB LEU 110 2HB LEU 110 5.898 -0.197 -7.984
891 HB LEU 110 QB LEU 110 5.898 -0.197 -7.984
892 HG LEU 110 HG LEU 110 3.120 0.432 -7.061
893 1HD1 LEU 110 2HD1 LEU 110 4.761 -2.066 -7.488
894 2HD1 LEU 110 3HD1 LEU 110 3.196 -2.078 -6.640
895 3HD1 LEU 110 1HD1 LEU 110 3.285 -1.542 -8.335
896 1HD2 LEU 110 2HD2 LEU 110 4.518 0.992 -5.123
897 2HD2 LEU 110 3HD2 LEU 110 3.553 -0.477 -4.844
898 3HD2 LEU 110 1HD2 LEU 110 5.288 -0.610 -5.218
899 H THR 111 H THR 111 8.302 1.329 -7.796
900 HA THR 111 HA THR 111 9.194 -0.119 -5.585
901 HB THR 111 HB THR 111 10.198 0.988 -8.085
902 HG1 THR 111 1HG THR 111 11.208 -1.020 -7.877
903 1HG2 THR 111 2HG2 THR 111 12.084 1.099 -5.672
904 2HG2 THR 111 3HG2 THR 111 12.577 1.236 -7.376
905 3HG2 THR 111 1HG2 THR 111 11.572 2.504 -6.635
906 H LEU 112 H LEU 112 8.156 3.085 -5.662
907 HA LEU 112 HA LEU 112 8.056 4.273 -3.669
908 HB LEU 112 2HB LEU 112 9.572 2.426 -2.650
909 HB LEU 112 QB LEU 112 9.572 2.426 -2.650
910 HG LEU 112 HG LEU 112 11.783 2.686 -2.470
911 1HD1 LEU 112 2HD1 LEU 112 10.974 3.594 -4.989
912 2HD1 LEU 112 3HD1 LEU 112 12.241 4.731 -4.468
913 3HD1 LEU 112 1HD1 LEU 112 12.579 2.984 -4.521
914 1HD2 LEU 112 3HD2 LEU 112 11.286 4.764 -1.054
915 2HD2 LEU 112 1HD2 LEU 112 12.903 4.625 -1.785
916 3HD2 LEU 112 2HD2 LEU 112 11.686 5.700 -2.514
917 H GLY 113 H GLY 113 9.032 4.599 -6.533
918 1HA GLY 113 1HA GLY 113 10.100 6.122 -7.820
919 2HA GLY 113 2HA GLY 113 9.459 7.259 -6.651
920 H VAL 114 H VAL 114 12.083 4.737 -6.524
921 HA VAL 114 HA VAL 114 14.221 6.458 -6.588
922 HB VAL 114 HB VAL 114 12.822 6.405 -4.002
923 1HG1 VAL 114 2HG1 VAL 114 15.696 5.605 -4.223
924 2HG1 VAL 114 3HG1 VAL 114 15.226 6.712 -2.911
925 3HG1 VAL 114 1HG1 VAL 114 14.457 5.113 -3.044
926 1HG2 VAL 114 3HG2 VAL 114 14.088 8.276 -5.751
927 2HG2 VAL 114 1HG2 VAL 114 13.135 8.593 -4.281
928 3HG2 VAL 114 2HG2 VAL 114 14.896 8.362 -4.167
929 H ALA 115 H ALA 115 14.725 4.536 -7.859
930 HA ALA 115 HA ALA 115 16.541 2.881 -6.838
931 1HB ALA 115 2HB ALA 115 13.883 2.114 -5.855
932 2HB ALA 115 3HB ALA 115 14.706 0.786 -6.707
933 3HB ALA 115 1HB ALA 115 15.493 1.578 -5.321
934 H SER 116 H SER 116 17.337 3.038 -8.935
935 HA SER 116 HA SER 116 17.508 2.715 -11.082
936 HB SER 116 2HB SER 116 15.967 0.169 -10.414
937 HB SER 116 QB SER 116 15.967 0.169 -10.414
938 HG SER 116 HG SER 116 17.732 -0.284 -12.352
No H/Q in entry = 795
Start of MODEL 14
1 H SER 1 H SER 1 -11.987 -16.126 2.046
2 HA SER 1 HA SER 1 -9.879 -16.380 0.585
3 HB SER 1 2HB SER 1 -11.119 -15.341 -1.354
4 HB SER 1 QB SER 1 -11.119 -15.341 -1.354
5 HG SER 1 HG SER 1 -13.310 -16.522 -0.402
6 H LEU 2 H LEU 2 -8.173 -15.200 -0.356
7 HA LEU 2 HA LEU 2 -7.900 -12.679 -1.013
8 HB LEU 2 2HB LEU 2 -7.979 -12.813 1.970
9 HB LEU 2 QB LEU 2 -7.979 -12.813 1.970
10 HG LEU 2 HG LEU 2 -5.728 -11.739 0.990
11 1HD1 LEU 2 3HD1 LEU 2 -7.878 -9.748 0.408
12 2HD1 LEU 2 1HD1 LEU 2 -6.309 -9.162 1.007
13 3HD1 LEU 2 2HD1 LEU 2 -6.387 -10.124 -0.487
14 1HD2 LEU 2 3HD2 LEU 2 -7.465 -11.104 3.309
15 2HD2 LEU 2 1HD2 LEU 2 -5.778 -11.666 3.248
16 3HD2 LEU 2 2HD2 LEU 2 -6.155 -9.952 2.955
17 H GLY 3 H GLY 3 -5.768 -12.238 -1.635
18 1HA GLY 3 1HA GLY 3 -3.876 -14.410 -1.017
19 2HA GLY 3 2HA GLY 3 -3.859 -13.380 -2.436
20 H ILE 4 H ILE 4 -1.465 -13.377 -1.476
21 HA ILE 4 HA ILE 4 -0.932 -10.798 -0.653
22 HB ILE 4 HB ILE 4 -2.004 -12.038 1.470
23 HG1 ILE 4 2HG1 ILE 4 -0.457 -10.384 2.819
24 HG1 ILE 4 QG1 ILE 4 -0.457 -10.384 2.819
25 1HG2 ILE 4 1HG2 ILE 4 0.971 -12.576 1.678
26 2HG2 ILE 4 2HG2 ILE 4 -0.196 -12.699 3.016
27 3HG2 ILE 4 3HG2 ILE 4 -0.334 -13.784 1.613
28 1HD1 ILE 4 2HD1 ILE 4 1.129 -10.290 0.736
29 2HD1 ILE 4 3HD1 ILE 4 -0.129 -9.252 0.025
30 3HD1 ILE 4 1HD1 ILE 4 0.684 -8.760 1.530
31 H ASP 5 H ASP 5 1.171 -10.388 -1.189
32 HA ASP 5 HA ASP 5 2.935 -12.698 -1.246
33 HB ASP 5 2HB ASP 5 3.265 -10.616 -3.380
34 HB ASP 5 QB ASP 5 3.265 -10.616 -3.380
35 HD2 ASP 5 HD ASP 5 4.142 -11.520 -5.195
36 H MET 6 H MET 6 5.345 -11.779 -1.662
37 HA MET 6 HA MET 6 5.692 -9.089 -0.766
38 HB MET 6 2HB MET 6 7.363 -10.198 1.070
39 HB MET 6 QB MET 6 7.363 -10.198 1.070
40 HG MET 6 2HG MET 6 4.351 -9.998 1.552
41 HG MET 6 QG MET 6 4.351 -9.998 1.552
42 1HE MET 6 1HE MET 6 3.514 -10.586 3.375
43 2HE MET 6 2HE MET 6 4.558 -11.943 3.862
44 3HE MET 6 3HE MET 6 4.175 -10.654 5.027
45 H ASN 7 H ASN 7 7.588 -8.230 -1.599
46 HA ASN 7 HA ASN 7 9.623 -10.123 -2.405
47 HB ASN 7 2HB ASN 7 9.449 -8.065 -4.432
48 HB ASN 7 QB ASN 7 9.449 -8.065 -4.432
49 1HD2 ASN 7 2HD2 ASN 7 10.910 -10.856 -5.929
50 2HD2 ASN 7 1HD2 ASN 7 11.111 -9.289 -5.218
51 H VAL 8 H VAL 8 11.690 -8.781 -3.117
52 HA VAL 8 HA VAL 8 11.738 -6.196 -1.737
53 HB VAL 8 HB VAL 8 12.965 -8.614 -0.884
54 1HG1 VAL 8 1HG1 VAL 8 14.771 -7.999 -2.509
55 2HG1 VAL 8 2HG1 VAL 8 15.017 -6.493 -1.591
56 3HG1 VAL 8 3HG1 VAL 8 15.309 -8.068 -0.814
57 1HG2 VAL 8 3HG2 VAL 8 12.017 -6.444 0.311
58 2HG2 VAL 8 1HG2 VAL 8 13.256 -7.462 1.084
59 3HG2 VAL 8 2HG2 VAL 8 13.728 -5.954 0.264
60 H LYS 9 H LYS 9 13.071 -4.626 -2.704
61 HA LYS 9 HA LYS 9 14.678 -5.444 -4.969
62 HB LYS 9 2HB LYS 9 13.440 -4.566 -6.629
63 HB LYS 9 QB LYS 9 13.440 -4.566 -6.629
64 HG LYS 9 2HG LYS 9 10.902 -4.364 -5.936
65 HG LYS 9 QG LYS 9 10.902 -4.364 -5.936
66 HD LYS 9 2HD LYS 9 11.343 -7.067 -5.221
67 HD LYS 9 QD LYS 9 11.343 -7.067 -5.221
68 HE LYS 9 2HE LYS 9 10.736 -5.538 -7.747
69 HE LYS 9 QE LYS 9 10.736 -5.538 -7.747
70 1HZ LYS 9 1HZ LYS 9 11.944 -8.145 -7.683
71 2HZ LYS 9 2HZ LYS 9 10.499 -8.162 -8.434
72 H GLU 10 H GLU 10 16.592 -4.664 -4.209
73 HA GLU 10 HA GLU 10 18.108 -3.241 -3.587
74 HB GLU 10 2HB GLU 10 16.059 -1.310 -4.686
75 HB GLU 10 QB GLU 10 16.059 -1.310 -4.686
76 HG GLU 10 2HG GLU 10 18.373 -0.673 -2.916
77 HG GLU 10 QG GLU 10 18.373 -0.673 -2.916
78 HE2 GLU 10 HE GLU 10 20.268 0.894 -5.332
79 H SER 11 H SER 11 14.840 -2.846 -2.296
80 HA SER 11 HA SER 11 15.451 -3.060 0.270
81 HB SER 11 2HB SER 11 16.589 -1.220 0.924
82 HB SER 11 QB SER 11 16.589 -1.220 0.924
83 HG SER 11 HG SER 11 16.547 0.743 -0.644
84 H VAL 12 H VAL 12 13.487 -2.330 -2.323
85 HA VAL 12 HA VAL 12 11.242 -1.391 -0.720
86 HB VAL 12 HB VAL 12 11.853 -0.356 -2.908
87 1HG1 VAL 12 1HG1 VAL 12 12.185 -2.907 -3.818
88 2HG1 VAL 12 2HG1 VAL 12 10.567 -2.526 -4.453
89 3HG1 VAL 12 3HG1 VAL 12 11.951 -1.484 -4.863
90 1HG2 VAL 12 1HG2 VAL 12 9.598 -0.136 -1.961
91 2HG2 VAL 12 2HG2 VAL 12 9.544 -0.218 -3.739
92 3HG2 VAL 12 3HG2 VAL 12 9.104 -1.643 -2.769
93 H LEU 13 H LEU 13 9.860 -2.811 0.196
94 HA LEU 13 HA LEU 13 9.976 -5.569 -0.720
95 HB LEU 13 2HB LEU 13 9.720 -6.078 1.405
96 HB LEU 13 QB LEU 13 9.720 -6.078 1.405
97 HG LEU 13 HG LEU 13 10.043 -4.564 3.150
98 1HD1 LEU 13 2HD1 LEU 13 11.639 -4.402 0.908
99 2HD1 LEU 13 3HD1 LEU 13 11.301 -2.695 1.282
100 3HD1 LEU 13 1HD1 LEU 13 12.023 -3.751 2.520
101 1HD2 LEU 13 1HD2 LEU 13 8.441 -2.697 1.472
102 2HD2 LEU 13 2HD2 LEU 13 8.361 -3.036 3.217
103 3HD2 LEU 13 3HD2 LEU 13 9.650 -1.991 2.571
104 H CYS 14 H CYS 14 8.691 -6.027 -2.434
105 HA CYS 14 HA CYS 14 6.359 -4.495 -2.944
106 HB CYS 14 2HB CYS 14 6.274 -5.568 -4.970
107 HB CYS 14 QB CYS 14 6.274 -5.568 -4.970
108 HG CYS 14 HG CYS 14 8.396 -5.242 -5.989
109 H ILE 15 H ILE 15 4.186 -5.058 -2.529
110 HA ILE 15 HA ILE 15 3.787 -7.606 -1.128
111 HB ILE 15 HB ILE 15 3.191 -4.842 -0.254
112 HG1 ILE 15 2HG1 ILE 15 3.759 -7.452 1.179
113 HG1 ILE 15 QG1 ILE 15 3.759 -7.452 1.179
114 1HG2 ILE 15 3HG2 ILE 15 1.185 -7.064 -0.143
115 2HG2 ILE 15 1HG2 ILE 15 1.325 -5.940 1.230
116 3HG2 ILE 15 2HG2 ILE 15 0.948 -5.318 -0.395
117 1HD1 ILE 15 3HD1 ILE 15 5.414 -5.286 0.028
118 2HD1 ILE 15 1HD1 ILE 15 5.751 -5.604 1.747
119 3HD1 ILE 15 2HD1 ILE 15 5.887 -6.920 0.556
120 H ARG 16 H ARG 16 2.888 -8.732 -2.837
121 HA ARG 16 HA ARG 16 0.762 -7.388 -4.260
122 HB ARG 16 2HB ARG 16 1.162 -10.055 -5.253
123 HB ARG 16 QB ARG 16 1.162 -10.055 -5.253
124 HG ARG 16 2HG ARG 16 1.196 -7.325 -6.189
125 HG ARG 16 QG ARG 16 1.196 -7.325 -6.189
126 HD ARG 16 2HD ARG 16 3.495 -9.071 -7.202
127 HD ARG 16 QD ARG 16 3.495 -9.071 -7.202
128 HE ARG 16 HE ARG 16 2.031 -6.959 -8.528
129 1HH1 ARG 16 2HH2 ARG 16 5.321 -8.175 -8.031
130 2HH1 ARG 16 1HH2 ARG 16 5.926 -7.504 -9.508
131 HH2 ARG 16 1HH ARG 16 4.443 -6.272 -10.932
132 H LEU 17 H LEU 17 -1.272 -7.636 -3.381
133 HA LEU 17 HA LEU 17 -1.883 -10.259 -2.208
134 HB LEU 17 2HB LEU 17 -1.926 -7.693 -1.014
135 HB LEU 17 QB LEU 17 -1.926 -7.693 -1.014
136 HG LEU 17 HG LEU 17 -4.679 -8.947 -1.206
137 1HD1 LEU 17 2HD1 LEU 17 -4.149 -8.433 1.115
138 2HD1 LEU 17 3HD1 LEU 17 -3.674 -6.779 0.659
139 3HD1 LEU 17 1HD1 LEU 17 -5.367 -7.299 0.480
140 1HD2 LEU 17 1HD2 LEU 17 -3.450 -6.746 -2.587
141 2HD2 LEU 17 2HD2 LEU 17 -5.087 -7.422 -2.761
142 3HD2 LEU 17 3HD2 LEU 17 -4.773 -6.148 -1.557
143 H THR 18 H THR 18 -3.771 -11.276 -2.866
144 HA THR 18 HA THR 18 -5.436 -9.776 -4.770
145 HB THR 18 HB THR 18 -5.511 -12.155 -5.943
146 HG1 THR 18 1HG THR 18 -3.650 -13.385 -5.371
147 1HG2 THR 18 3HG2 THR 18 -4.220 -9.958 -6.707
148 2HG2 THR 18 1HG2 THR 18 -2.786 -10.829 -6.113
149 3HG2 THR 18 2HG2 THR 18 -3.771 -11.525 -7.423
150 H GLY 19 H GLY 19 -7.420 -9.576 -3.963
151 1HA GLY 19 1HA GLY 19 -9.117 -11.633 -3.383
152 2HA GLY 19 2HA GLY 19 -8.332 -11.296 -1.853
153 H GLU 20 H GLU 20 -9.379 -9.852 -0.565
154 HA GLU 20 HA GLU 20 -10.871 -7.758 -1.945
155 HB GLU 20 2HB GLU 20 -12.066 -8.154 0.599
156 HB GLU 20 QB GLU 20 -12.066 -8.154 0.599
157 HG GLU 20 2HG GLU 20 -12.889 -7.800 -2.002
158 HG GLU 20 QG GLU 20 -12.889 -7.800 -2.002
159 HE2 GLU 20 HE GLU 20 -15.107 -10.421 -2.649
160 H LEU 21 H LEU 21 -11.245 -5.768 -0.501
161 HA LEU 21 HA LEU 21 -8.924 -5.427 1.269
162 HB LEU 21 2HB LEU 21 -9.560 -2.905 0.398
163 HB LEU 21 QB LEU 21 -9.560 -2.905 0.398
164 HG LEU 21 HG LEU 21 -7.499 -2.805 -0.544
165 1HD1 LEU 21 3HD1 LEU 21 -7.440 -4.138 1.674
166 2HD1 LEU 21 1HD1 LEU 21 -7.010 -5.526 0.645
167 3HD1 LEU 21 2HD1 LEU 21 -5.976 -4.077 0.664
168 1HD2 LEU 21 2HD2 LEU 21 -8.082 -5.501 -1.772
169 2HD2 LEU 21 3HD2 LEU 21 -7.891 -3.925 -2.577
170 3HD2 LEU 21 1HD2 LEU 21 -6.478 -4.733 -1.856
171 H ASP 22 H ASP 22 -10.186 -6.104 3.097
172 HA ASP 22 HA ASP 22 -11.940 -3.967 3.959
173 HB ASP 22 2HB ASP 22 -13.791 -5.272 3.955
174 HB ASP 22 QB ASP 22 -13.791 -5.272 3.955
175 HD1 ASP 22 HD ASP 22 -11.586 -6.661 1.636
176 H HIS 23 H HIS 23 -12.447 -4.401 6.473
177 HA HIS 23 HA HIS 23 -10.143 -4.343 7.877
178 HB HIS 23 2HB HIS 23 -12.619 -3.876 8.540
179 HB HIS 23 QB HIS 23 -12.619 -3.876 8.540
180 HD1 HIS 23 1HD HIS 23 -11.771 -6.550 11.007
181 HD2 HIS 23 2HD HIS 23 -14.545 -5.914 7.926
182 HE1 HIS 23 1HE HIS 23 -13.569 -8.340 11.283
183 H HIS 24 H HIS 24 -11.822 -7.161 6.570
184 HA HIS 24 HA HIS 24 -10.490 -9.029 8.248
185 HB HIS 24 2HB HIS 24 -11.328 -10.506 6.140
186 HB HIS 24 QB HIS 24 -11.328 -10.506 6.140
187 HD1 HIS 24 1HD HIS 24 -14.564 -9.432 7.035
188 HD2 HIS 24 2HD HIS 24 -11.471 -11.308 9.157
189 HE1 HIS 24 1HE HIS 24 -15.655 -10.542 9.056
190 H THR 25 H THR 25 -10.105 -7.909 4.821
191 HA THR 25 HA THR 25 -7.689 -9.453 4.528
192 HB THR 25 HB THR 25 -7.932 -8.884 2.259
193 HG1 THR 25 1HG THR 25 -7.697 -6.617 2.426
194 1HG2 THR 25 1HG2 THR 25 -10.275 -9.618 3.346
195 2HG2 THR 25 2HG2 THR 25 -10.711 -7.930 2.987
196 3HG2 THR 25 3HG2 THR 25 -10.209 -9.018 1.672
197 H ALA 26 H ALA 26 -8.603 -6.184 5.505
198 HA ALA 26 HA ALA 26 -6.038 -5.059 5.023
199 1HB ALA 26 2HB ALA 26 -8.635 -4.277 6.238
200 2HB ALA 26 3HB ALA 26 -7.203 -3.444 6.891
201 3HB ALA 26 1HB ALA 26 -7.560 -3.367 5.148
202 H GLU 27 H GLU 27 -7.364 -7.222 7.390
203 HA GLU 27 HA GLU 27 -5.804 -6.406 9.564
204 HB GLU 27 2HB GLU 27 -6.408 -9.257 9.604
205 HB GLU 27 QB GLU 27 -6.408 -9.257 9.604
206 HG GLU 27 2HG GLU 27 -6.525 -7.025 11.320
207 HG GLU 27 QG GLU 27 -6.525 -7.025 11.320
208 HE2 GLU 27 HE GLU 27 -9.484 -5.818 11.781
209 H THR 28 H THR 28 -5.381 -8.910 6.987
210 HA THR 28 HA THR 28 -3.125 -10.157 7.868
211 HB THR 28 HB THR 28 -4.487 -9.595 5.289
212 HG1 THR 28 1HG THR 28 -4.722 -11.623 6.302
213 1HG2 THR 28 2HG2 THR 28 -1.551 -10.473 5.351
214 2HG2 THR 28 3HG2 THR 28 -2.617 -10.508 3.926
215 3HG2 THR 28 1HG2 THR 28 -2.142 -8.950 4.643
216 H LEU 29 H LEU 29 -3.286 -7.029 6.062
217 HA LEU 29 HA LEU 29 -0.490 -6.707 6.021
218 HB LEU 29 2HB LEU 29 -2.231 -4.317 5.969
219 HB LEU 29 QB LEU 29 -2.231 -4.317 5.969
220 HG LEU 29 HG LEU 29 -0.022 -4.003 5.125
221 1HD1 LEU 29 1HD1 LEU 29 -0.386 -6.694 4.059
222 2HD1 LEU 29 2HD1 LEU 29 0.313 -5.572 2.867
223 3HD1 LEU 29 3HD1 LEU 29 1.105 -5.801 4.446
224 1HD2 LEU 29 2HD2 LEU 29 -2.238 -3.334 3.731
225 2HD2 LEU 29 3HD2 LEU 29 -0.588 -2.855 3.270
226 3HD2 LEU 29 1HD2 LEU 29 -1.354 -4.262 2.495
227 H LYS 30 H LYS 30 -3.015 -6.094 8.427
228 HA LYS 30 HA LYS 30 -1.905 -4.179 9.987
229 HB LYS 30 2HB LYS 30 -3.094 -6.613 11.278
230 HB LYS 30 QB LYS 30 -3.094 -6.613 11.278
231 HG LYS 30 2HG LYS 30 -4.470 -4.653 12.306
232 HG LYS 30 QG LYS 30 -4.470 -4.653 12.306
233 HD LYS 30 2HD LYS 30 -2.694 -4.127 13.931
234 HD LYS 30 QD LYS 30 -2.694 -4.127 13.931
235 HE LYS 30 2HE LYS 30 -1.783 -6.869 13.364
236 HE LYS 30 QE LYS 30 -1.783 -6.869 13.364
237 1HZ LYS 30 1HZ LYS 30 -3.659 -6.543 15.468
238 2HZ LYS 30 2HZ LYS 30 -2.070 -6.885 15.579
239 H GLN 31 H GLN 31 -1.024 -7.671 9.821
240 HA GLN 31 HA GLN 31 0.859 -7.431 11.904
241 HB GLN 31 2HB GLN 31 -0.350 -9.555 11.077
242 HB GLN 31 QB GLN 31 -0.350 -9.555 11.077
243 HG GLN 31 2HG GLN 31 2.010 -9.997 9.276
244 HG GLN 31 QG GLN 31 2.010 -9.997 9.276
245 1HE2 GLN 31 2HE2 GLN 31 -1.833 -11.547 8.930
246 2HE2 GLN 31 1HE2 GLN 31 -1.556 -9.899 9.383
247 H LYS 32 H LYS 32 0.907 -7.079 8.354
248 HA LYS 32 HA LYS 32 3.710 -7.184 8.077
249 HB LYS 32 2HB LYS 32 1.508 -6.045 6.338
250 HB LYS 32 QB LYS 32 1.508 -6.045 6.338
251 HG LYS 32 2HG LYS 32 3.615 -4.895 5.785
252 HG LYS 32 QG LYS 32 3.615 -4.895 5.785
253 HD LYS 32 2HD LYS 32 4.720 -7.704 5.998
254 HD LYS 32 QD LYS 32 4.720 -7.704 5.998
255 HE LYS 32 2HE LYS 32 5.716 -5.469 4.183
256 HE LYS 32 QE LYS 32 5.716 -5.469 4.183
257 1HZ LYS 32 1HZ LYS 32 7.695 -6.044 5.189
258 2HZ LYS 32 2HZ LYS 32 7.221 -7.545 5.607
259 H VAL 33 H VAL 33 1.640 -4.939 9.608
260 HA VAL 33 HA VAL 33 3.144 -2.593 8.952
261 HB VAL 33 HB VAL 33 1.141 -3.093 11.161
262 1HG1 VAL 33 1HG1 VAL 33 2.362 -0.604 9.968
263 2HG1 VAL 33 2HG1 VAL 33 0.769 -0.563 10.762
264 3HG1 VAL 33 3HG1 VAL 33 2.208 -1.073 11.677
265 1HG2 VAL 33 3HG2 VAL 33 0.813 -2.585 8.232
266 2HG2 VAL 33 1HG2 VAL 33 -0.175 -3.563 9.345
267 3HG2 VAL 33 2HG2 VAL 33 -0.318 -1.789 9.352
268 H THR 34 H THR 34 2.727 -4.649 11.922
269 HA THR 34 HA THR 34 4.577 -3.373 13.507
270 HB THR 34 HB THR 34 3.151 -5.022 14.489
271 HG1 THR 34 1HG THR 34 4.802 -6.345 15.409
272 1HG2 THR 34 1HG2 THR 34 4.253 -6.906 12.344
273 2HG2 THR 34 2HG2 THR 34 3.340 -7.468 13.764
274 3HG2 THR 34 3HG2 THR 34 2.558 -6.412 12.563
275 H GLN 35 H GLN 35 5.118 -5.803 10.923
276 HA GLN 35 HA GLN 35 7.809 -6.179 11.543
277 HB GLN 35 2HB GLN 35 7.879 -6.988 9.077
278 HB GLN 35 QB GLN 35 7.879 -6.988 9.077
279 HG GLN 35 2HG GLN 35 6.189 -8.050 11.322
280 HG GLN 35 QG GLN 35 6.189 -8.050 11.322
281 1HE2 GLN 35 2HE2 GLN 35 3.801 -9.137 8.902
282 2HE2 GLN 35 1HE2 GLN 35 4.212 -7.843 9.977
283 H SER 36 H SER 36 6.118 -4.028 9.165
284 HA SER 36 HA SER 36 8.568 -2.903 8.304
285 HB SER 36 2HB SER 36 6.077 -1.358 7.825
286 HB SER 36 QB SER 36 6.077 -1.358 7.825
287 HG SER 36 HG SER 36 8.301 -1.463 6.620
288 H LEU 37 H LEU 37 6.271 -2.344 10.903
289 HA LEU 37 HA LEU 37 6.524 0.342 11.365
290 HB LEU 37 2HB LEU 37 6.564 -1.037 13.858
291 HB LEU 37 QB LEU 37 6.564 -1.037 13.858
292 HG LEU 37 HG LEU 37 5.150 0.843 13.693
293 1HD1 LEU 37 3HD1 LEU 37 4.187 -0.423 11.149
294 2HD1 LEU 37 1HD1 LEU 37 3.133 0.706 12.033
295 3HD1 LEU 37 2HD1 LEU 37 4.731 1.242 11.463
296 1HD2 LEU 37 3HD2 LEU 37 4.177 -1.633 14.511
297 2HD2 LEU 37 1HD2 LEU 37 3.518 -0.032 14.923
298 3HD2 LEU 37 2HD2 LEU 37 2.858 -0.937 13.541
299 H GLU 38 H GLU 38 8.833 -2.312 12.004
300 HA GLU 38 HA GLU 38 10.906 -0.391 12.202
301 HB GLU 38 2HB GLU 38 11.704 -1.216 14.473
302 HB GLU 38 QB GLU 38 11.704 -1.216 14.473
303 HG GLU 38 2HG GLU 38 8.941 0.056 14.625
304 HG GLU 38 QG GLU 38 8.941 0.056 14.625
305 HE1 GLU 38 HE GLU 38 12.300 0.324 15.781
306 H LYS 39 H LYS 39 11.266 -1.774 10.226
307 HA LYS 39 HA LYS 39 11.899 -4.521 10.608
308 HB LYS 39 2HB LYS 39 11.061 -3.198 8.491
309 HB LYS 39 QB LYS 39 11.061 -3.198 8.491
310 HG LYS 39 2HG LYS 39 14.004 -3.344 7.815
311 HG LYS 39 QG LYS 39 14.004 -3.344 7.815
312 HD LYS 39 2HD LYS 39 12.225 -3.080 6.039
313 HD LYS 39 QD LYS 39 12.225 -3.080 6.039
314 HE LYS 39 2HE LYS 39 11.752 -0.443 7.512
315 HE LYS 39 QE LYS 39 11.752 -0.443 7.512
316 1HZ LYS 39 1HZ LYS 39 10.169 -1.142 5.190
317 2HZ LYS 39 2HZ LYS 39 10.767 0.308 5.625
318 H ASP 40 H ASP 40 13.737 -1.438 10.395
319 HA ASP 40 HA ASP 40 15.666 -1.921 12.051
320 HB ASP 40 2HB ASP 40 17.498 -2.755 10.162
321 HB ASP 40 QB ASP 40 17.498 -2.755 10.162
322 HD2 ASP 40 HD ASP 40 17.552 -5.949 11.345
323 H ASP 41 H ASP 41 16.636 -1.797 8.577
324 HA ASP 41 HA ASP 41 17.695 0.796 8.944
325 HB ASP 41 2HB ASP 41 17.241 -0.538 6.254
326 HB ASP 41 QB ASP 41 17.241 -0.538 6.254
327 HD2 ASP 41 HD ASP 41 19.972 0.692 4.967
328 H ILE 42 H ILE 42 16.839 1.267 5.902
329 HA ILE 42 HA ILE 42 14.069 2.068 6.405
330 HB ILE 42 HB ILE 42 16.398 3.801 5.869
331 HG1 ILE 42 2HG1 ILE 42 14.797 5.446 6.990
332 HG1 ILE 42 QG1 ILE 42 14.797 5.446 6.990
333 1HG2 ILE 42 2HG2 ILE 42 13.879 3.942 4.253
334 2HG2 ILE 42 3HG2 ILE 42 14.681 5.448 4.762
335 3HG2 ILE 42 1HG2 ILE 42 15.566 4.258 3.777
336 1HD1 ILE 42 3HD1 ILE 42 12.845 3.644 6.433
337 2HD1 ILE 42 1HD1 ILE 42 13.329 3.058 8.043
338 3HD1 ILE 42 2HD1 ILE 42 12.772 4.736 7.837
339 H ARG 43 H ARG 43 13.440 0.229 5.149
340 HA ARG 43 HA ARG 43 14.505 0.018 2.517
341 HB ARG 43 2HB ARG 43 12.321 -1.683 2.570
342 HB ARG 43 QB ARG 43 12.321 -1.683 2.570
343 HG ARG 43 2HG ARG 43 14.374 -2.696 2.063
344 HG ARG 43 QG ARG 43 14.374 -2.696 2.063
345 HD ARG 43 2HD ARG 43 15.370 -1.019 4.331
346 HD ARG 43 QD ARG 43 15.370 -1.019 4.331
347 HE ARG 43 HE ARG 43 16.388 -2.930 5.259
348 1HH1 ARG 43 2HH2 ARG 43 16.734 -2.997 1.733
349 2HH1 ARG 43 1HH2 ARG 43 17.852 -4.320 1.743
350 HH2 ARG 43 1HH ARG 43 18.502 -5.290 3.836
351 H HIS 44 H HIS 44 12.205 -0.742 1.010
352 HA HIS 44 HA HIS 44 10.568 1.681 1.104
353 HB HIS 44 2HB HIS 44 10.563 1.547 -1.438
354 HB HIS 44 QB HIS 44 10.563 1.547 -1.438
355 HD1 HIS 44 1HD HIS 44 11.312 3.715 0.583
356 HD2 HIS 44 2HD HIS 44 14.088 1.906 -1.989
357 HE1 HIS 44 1HE HIS 44 13.257 5.353 0.364
358 H ILE 45 H ILE 45 8.423 1.398 -0.018
359 HA ILE 45 HA ILE 45 7.537 -1.372 0.356
360 HB ILE 45 HB ILE 45 5.286 -0.339 0.624
361 HG1 ILE 45 2HG1 ILE 45 6.491 2.320 1.184
362 HG1 ILE 45 QG1 ILE 45 6.491 2.320 1.184
363 1HG2 ILE 45 2HG2 ILE 45 7.177 -0.827 2.461
364 2HG2 ILE 45 3HG2 ILE 45 6.964 0.920 2.727
365 3HG2 ILE 45 1HG2 ILE 45 5.570 -0.177 2.864
366 1HD1 ILE 45 3HD1 ILE 45 7.430 1.740 -1.066
367 2HD1 ILE 45 1HD1 ILE 45 5.782 1.383 -1.635
368 3HD1 ILE 45 2HD1 ILE 45 6.217 3.040 -1.152
369 H VAL 46 H VAL 46 5.747 -2.095 -1.141
370 HA VAL 46 HA VAL 46 5.530 -0.701 -3.632
371 HB VAL 46 HB VAL 46 7.415 -2.949 -3.266
372 1HG1 VAL 46 2HG1 VAL 46 5.567 -4.051 -4.493
373 2HG1 VAL 46 3HG1 VAL 46 5.670 -2.792 -5.747
374 3HG1 VAL 46 1HG1 VAL 46 7.041 -3.895 -5.479
375 1HG2 VAL 46 3HG2 VAL 46 7.708 -0.416 -4.084
376 2HG2 VAL 46 1HG2 VAL 46 8.750 -1.736 -4.667
377 3HG2 VAL 46 2HG2 VAL 46 7.388 -1.172 -5.663
378 H LEU 47 H LEU 47 3.300 -0.722 -3.019
379 HA LEU 47 HA LEU 47 2.071 -3.303 -2.597
380 HB LEU 47 2HB LEU 47 0.117 -2.097 -2.042
381 HB LEU 47 QB LEU 47 0.117 -2.097 -2.042
382 HG LEU 47 HG LEU 47 2.285 -0.224 -1.081
383 1HD1 LEU 47 2HD1 LEU 47 -0.515 -0.481 -0.566
384 2HD1 LEU 47 3HD1 LEU 47 0.381 -0.881 0.919
385 3HD1 LEU 47 1HD1 LEU 47 0.651 0.682 0.110
386 1HD2 LEU 47 3HD2 LEU 47 2.023 -3.085 -0.595
387 2HD2 LEU 47 1HD2 LEU 47 3.346 -1.967 -0.189
388 3HD2 LEU 47 2HD2 LEU 47 1.952 -2.130 0.906
389 H ASN 48 H ASN 48 0.264 -4.077 -3.932
390 HA ASN 48 HA ASN 48 -0.347 -2.891 -6.357
391 HB ASN 48 2HB ASN 48 1.631 -3.472 -7.451
392 HB ASN 48 QB ASN 48 1.631 -3.472 -7.451
393 1HD2 ASN 48 2HD2 ASN 48 4.188 -5.662 -6.383
394 2HD2 ASN 48 1HD2 ASN 48 3.522 -4.780 -7.716
395 H LEU 49 H LEU 49 -2.489 -3.607 -6.236
396 HA LEU 49 HA LEU 49 -2.894 -6.450 -5.618
397 HB LEU 49 2HB LEU 49 -3.906 -4.181 -4.359
398 HB LEU 49 QB LEU 49 -3.906 -4.181 -4.359
399 HG LEU 49 HG LEU 49 -5.796 -5.014 -6.400
400 1HD1 LEU 49 3HD1 LEU 49 -6.398 -5.761 -3.586
401 2HD1 LEU 49 1HD1 LEU 49 -7.692 -4.961 -4.511
402 3HD1 LEU 49 2HD1 LEU 49 -6.966 -6.470 -5.116
403 1HD2 LEU 49 3HD2 LEU 49 -5.055 -2.697 -5.082
404 2HD2 LEU 49 1HD2 LEU 49 -6.417 -2.881 -6.214
405 3HD2 LEU 49 2HD2 LEU 49 -6.691 -3.022 -4.461
406 H GLU 50 H GLU 50 -3.747 -7.728 -7.184
407 HA GLU 50 HA GLU 50 -4.642 -6.331 -9.571
408 HB GLU 50 2HB GLU 50 -4.304 -9.220 -9.873
409 HB GLU 50 QB GLU 50 -4.304 -9.220 -9.873
410 HG GLU 50 2HG GLU 50 -2.432 -8.217 -11.462
411 HG GLU 50 QG GLU 50 -2.432 -8.217 -11.462
412 HE1 GLU 50 HE GLU 50 -5.191 -9.714 -12.603
413 H ASP 51 H ASP 51 -5.674 -8.310 -6.886
414 HA ASP 51 HA ASP 51 -8.125 -8.967 -8.295
415 HB ASP 51 2HB ASP 51 -6.909 -9.959 -5.680
416 HB ASP 51 QB ASP 51 -6.909 -9.959 -5.680
417 HD2 ASP 51 HD ASP 51 -8.696 -12.505 -6.589
418 H LEU 52 H LEU 52 -8.520 -6.468 -8.026
419 HA LEU 52 HA LEU 52 -9.310 -5.784 -5.302
420 HB LEU 52 2HB LEU 52 -8.801 -4.172 -7.794
421 HB LEU 52 QB LEU 52 -8.801 -4.172 -7.794
422 HG LEU 52 HG LEU 52 -9.195 -2.140 -6.574
423 1HD1 LEU 52 1HD1 LEU 52 -11.134 -3.597 -7.677
424 2HD1 LEU 52 2HD1 LEU 52 -11.755 -3.556 -6.009
425 3HD1 LEU 52 3HD1 LEU 52 -11.446 -2.036 -6.881
426 1HD2 LEU 52 2HD2 LEU 52 -8.642 -3.277 -4.318
427 2HD2 LEU 52 3HD2 LEU 52 -9.828 -1.950 -4.347
428 3HD2 LEU 52 1HD2 LEU 52 -10.383 -3.639 -4.252
429 H SER 53 H SER 53 -11.403 -5.818 -4.663
430 HA SER 53 HA SER 53 -13.407 -5.602 -6.743
431 HB SER 53 2HB SER 53 -13.040 -7.909 -4.826
432 HB SER 53 QB SER 53 -13.040 -7.909 -4.826
433 HG SER 53 HG SER 53 -15.428 -8.219 -5.922
434 H PHE 54 H PHE 54 -13.764 -6.623 -3.304
435 HA PHE 54 HA PHE 54 -15.743 -4.813 -2.719
436 HB PHE 54 2HB PHE 54 -13.547 -6.182 -1.061
437 HB PHE 54 QB PHE 54 -13.547 -6.182 -1.061
438 HD1 PHE 54 1HD PHE 54 -17.120 -5.640 -0.280
439 HD2 PHE 54 2HD PHE 54 -13.109 -4.696 0.732
440 HE1 PHE 54 1HE PHE 54 -17.911 -4.558 1.842
441 HE2 PHE 54 2HE PHE 54 -13.899 -3.614 2.854
442 HZ PHE 54 HZ PHE 54 -16.291 -3.558 3.384
443 H MET 55 H MET 55 -12.366 -4.611 -1.383
444 HA MET 55 HA MET 55 -11.372 -2.853 -0.474
445 HB MET 55 2HB MET 55 -11.729 -2.525 -3.407
446 HB MET 55 QB MET 55 -11.729 -2.525 -3.407
447 HG MET 55 2HG MET 55 -10.348 -0.225 -3.065
448 HG MET 55 QG MET 55 -10.348 -0.225 -3.065
449 1HE MET 55 1HE MET 55 -11.992 -1.844 -5.006
450 2HE MET 55 2HE MET 55 -13.359 -2.280 -3.952
451 3HE MET 55 3HE MET 55 -13.633 -1.278 -5.398
452 H ASP 56 H ASP 56 -12.733 -2.021 1.167
453 HA ASP 56 HA ASP 56 -14.473 0.142 0.284
454 HB ASP 56 2HB ASP 56 -14.590 -1.118 3.036
455 HB ASP 56 QB ASP 56 -14.590 -1.118 3.036
456 HD2 ASP 56 HD ASP 56 -17.713 -0.429 3.455
457 H SER 57 H SER 57 -14.700 0.984 3.221
458 HA SER 57 HA SER 57 -12.213 2.458 3.271
459 HB SER 57 2HB SER 57 -14.798 2.832 4.851
460 HB SER 57 QB SER 57 -14.798 2.832 4.851
461 HG SER 57 HG SER 57 -12.490 3.753 5.547
462 H SER 58 H SER 58 -12.349 -0.423 4.020
463 HA SER 58 HA SER 58 -12.187 -0.383 6.884
464 HB SER 58 2HB SER 58 -12.477 -2.649 6.758
465 HB SER 58 QB SER 58 -12.477 -2.649 6.758
466 HG SER 58 HG SER 58 -12.874 -2.245 3.926
467 H GLY 59 H GLY 59 -10.032 -1.324 4.099
468 1HA GLY 59 1HA GLY 59 -7.694 -1.303 5.804
469 2HA GLY 59 2HA GLY 59 -7.774 -1.665 4.091
470 H LEU 60 H LEU 60 -9.521 0.994 3.912
471 HA LEU 60 HA LEU 60 -7.570 2.602 2.858
472 HB LEU 60 2HB LEU 60 -9.800 4.067 4.052
473 HB LEU 60 QB LEU 60 -9.800 4.067 4.052
474 HG LEU 60 HG LEU 60 -10.398 4.339 1.573
475 1HD1 LEU 60 1HD1 LEU 60 -9.342 6.089 2.908
476 2HD1 LEU 60 2HD1 LEU 60 -7.738 5.390 2.577
477 3HD1 LEU 60 3HD1 LEU 60 -8.703 6.075 1.247
478 1HD2 LEU 60 1HD2 LEU 60 -8.948 2.303 0.954
479 2HD2 LEU 60 2HD2 LEU 60 -8.887 3.738 -0.098
480 3HD2 LEU 60 3HD2 LEU 60 -7.572 3.428 1.063
481 H GLY 61 H GLY 61 -8.880 2.510 6.221
482 1HA GLY 61 1HA GLY 61 -7.198 4.674 7.094
483 2HA GLY 61 2HA GLY 61 -8.229 3.652 8.073
484 H VAL 62 H VAL 62 -7.123 1.080 7.093
485 HA VAL 62 HA VAL 62 -5.016 0.841 8.940
486 HB VAL 62 HB VAL 62 -6.765 -0.820 7.578
487 1HG1 VAL 62 3HG1 VAL 62 -5.214 -0.943 5.671
488 2HG1 VAL 62 1HG1 VAL 62 -3.924 -1.513 6.757
489 3HG1 VAL 62 2HG1 VAL 62 -5.370 -2.516 6.490
490 1HG2 VAL 62 3HG2 VAL 62 -5.468 -0.882 9.909
491 2HG2 VAL 62 1HG2 VAL 62 -6.207 -2.337 9.199
492 3HG2 VAL 62 2HG2 VAL 62 -4.459 -2.052 9.025
493 H ILE 63 H ILE 63 -5.185 1.861 5.604
494 HA ILE 63 HA ILE 63 -2.327 1.365 5.259
495 HB ILE 63 HB ILE 63 -4.633 1.857 3.429
496 HG1 ILE 63 2HG1 ILE 63 -3.147 -0.371 4.189
497 HG1 ILE 63 QG1 ILE 63 -3.147 -0.371 4.189
498 1HG2 ILE 63 1HG2 ILE 63 -1.738 2.399 2.713
499 2HG2 ILE 63 2HG2 ILE 63 -3.086 2.276 1.557
500 3HG2 ILE 63 3HG2 ILE 63 -3.065 3.584 2.763
501 1HD1 ILE 63 3HD1 ILE 63 -5.183 0.349 2.126
502 2HD1 ILE 63 1HD1 ILE 63 -4.289 -1.164 1.840
503 3HD1 ILE 63 2HD1 ILE 63 -5.208 -0.946 3.348
504 H LEU 64 H LEU 64 -4.810 3.939 5.508
505 HA LEU 64 HA LEU 64 -3.098 6.060 4.854
506 HB LEU 64 2HB LEU 64 -5.482 6.215 6.685
507 HB LEU 64 QB LEU 64 -5.482 6.215 6.685
508 HG LEU 64 HG LEU 64 -3.921 8.188 5.296
509 1HD1 LEU 64 2HD1 LEU 64 -6.671 7.695 4.199
510 2HD1 LEU 64 3HD1 LEU 64 -6.034 9.353 4.306
511 3HD1 LEU 64 1HD1 LEU 64 -5.166 8.125 3.352
512 1HD2 LEU 64 2HD2 LEU 64 -5.220 8.067 7.617
513 2HD2 LEU 64 3HD2 LEU 64 -4.858 9.608 6.803
514 3HD2 LEU 64 1HD2 LEU 64 -6.478 8.884 6.658
515 H GLY 65 H GLY 65 -4.079 4.607 8.027
516 1HA GLY 65 1HA GLY 65 -2.508 6.337 9.607
517 2HA GLY 65 2HA GLY 65 -3.167 4.783 10.075
518 H ARG 66 H ARG 66 -1.768 3.461 7.668
519 HA ARG 66 HA ARG 66 0.653 2.982 9.094
520 HB ARG 66 2HB ARG 66 0.777 1.549 6.672
521 HB ARG 66 QB ARG 66 0.777 1.549 6.672
522 HG ARG 66 2HG ARG 66 1.189 0.588 8.911
523 HG ARG 66 QG ARG 66 1.189 0.588 8.911
524 HD ARG 66 2HD ARG 66 -1.181 -0.174 10.007
525 HD ARG 66 QD ARG 66 -1.181 -0.174 10.007
526 HE ARG 66 HE ARG 66 0.795 1.691 10.716
527 1HH1 ARG 66 2HH2 ARG 66 -2.695 1.356 11.222
528 2HH1 ARG 66 1HH2 ARG 66 -2.685 2.216 12.726
529 HH2 ARG 66 1HH ARG 66 -0.613 3.072 13.575
530 H TYR 67 H TYR 67 -0.418 4.341 5.925
531 HA TYR 67 HA TYR 67 1.842 4.616 4.532
532 HB TYR 67 2HB TYR 67 0.181 7.106 5.011
533 HB TYR 67 QB TYR 67 0.181 7.106 5.011
534 HD1 TYR 67 1HD TYR 67 1.713 8.181 3.423
535 HD2 TYR 67 2HD TYR 67 -0.517 4.697 2.329
536 HE1 TYR 67 1HE TYR 67 2.229 8.611 0.970
537 HE2 TYR 67 2HE TYR 67 0.007 5.140 -0.119
538 HH TYR 67 HH TYR 67 1.894 6.340 -1.366
539 H LYS 68 H LYS 68 0.867 6.694 7.330
540 HA LYS 68 HA LYS 68 3.159 8.351 7.101
541 HB LYS 68 2HB LYS 68 2.262 9.531 8.850
542 HB LYS 68 QB LYS 68 2.262 9.531 8.850
543 HG LYS 68 2HG LYS 68 0.412 8.543 7.023
544 HG LYS 68 QG LYS 68 0.412 8.543 7.023
545 HD LYS 68 2HD LYS 68 -0.466 6.873 8.594
546 HD LYS 68 QD LYS 68 -0.466 6.873 8.594
547 HE LYS 68 2HE LYS 68 0.088 8.933 10.543
548 HE LYS 68 QE LYS 68 0.088 8.933 10.543
549 1HZ LYS 68 1HZ LYS 68 -2.692 7.910 10.691
550 2HZ LYS 68 2HZ LYS 68 -1.984 8.970 11.705
551 H GLN 69 H GLN 69 2.284 5.416 8.987
552 HA GLN 69 HA GLN 69 4.660 5.498 10.499
553 HB GLN 69 2HB GLN 69 3.260 2.886 10.103
554 HB GLN 69 QB GLN 69 3.260 2.886 10.103
555 HG GLN 69 2HG GLN 69 5.012 3.613 11.931
556 HG GLN 69 QG GLN 69 5.012 3.613 11.931
557 1HE2 GLN 69 2HE2 GLN 69 2.941 4.948 14.919
558 2HE2 GLN 69 1HE2 GLN 69 3.315 3.328 14.432
559 H ILE 70 H ILE 70 3.541 3.621 7.608
560 HA ILE 70 HA ILE 70 5.875 2.107 7.346
561 HB ILE 70 HB ILE 70 3.647 1.650 6.334
562 HG1 ILE 70 2HG1 ILE 70 5.972 1.666 4.387
563 HG1 ILE 70 QG1 ILE 70 5.972 1.666 4.387
564 1HG2 ILE 70 3HG2 ILE 70 3.301 4.008 5.512
565 2HG2 ILE 70 1HG2 ILE 70 4.447 3.639 4.200
566 3HG2 ILE 70 2HG2 ILE 70 2.929 2.722 4.339
567 1HD1 ILE 70 3HD1 ILE 70 5.474 0.230 6.909
568 2HD1 ILE 70 1HD1 ILE 70 5.684 -0.870 5.525
569 3HD1 ILE 70 2HD1 ILE 70 6.954 0.310 5.925
570 H LYS 71 H LYS 71 5.073 5.450 6.545
571 HA LYS 71 HA LYS 71 7.232 5.762 4.703
572 HB LYS 71 2HB LYS 71 6.579 8.289 5.374
573 HB LYS 71 QB LYS 71 6.579 8.289 5.374
574 HG LYS 71 2HG LYS 71 5.247 6.265 3.554
575 HG LYS 71 QG LYS 71 5.247 6.265 3.554
576 HD LYS 71 2HD LYS 71 3.659 8.209 4.480
577 HD LYS 71 QD LYS 71 3.659 8.209 4.480
578 HE LYS 71 2HE LYS 71 4.411 9.802 2.151
579 HE LYS 71 QE LYS 71 4.411 9.802 2.151
580 1HZ LYS 71 1HZ LYS 71 3.938 10.263 5.026
581 2HZ LYS 71 2HZ LYS 71 4.515 11.473 4.103
582 H GLN 72 H GLN 72 6.736 6.014 8.209
583 HA GLN 72 HA GLN 72 9.052 7.524 8.682
584 HB GLN 72 2HB GLN 72 7.034 6.041 10.292
585 HB GLN 72 QB GLN 72 7.034 6.041 10.292
586 HG GLN 72 2HG GLN 72 9.922 6.125 11.028
587 HG GLN 72 QG GLN 72 9.922 6.125 11.028
588 1HE2 GLN 72 2HE2 GLN 72 9.938 7.607 14.173
589 2HE2 GLN 72 1HE2 GLN 72 10.752 6.662 12.973
590 H ILE 73 H ILE 73 8.366 4.077 8.199
591 HA ILE 73 HA ILE 73 11.237 3.573 8.490
592 HB ILE 73 HB ILE 73 9.296 1.454 9.272
593 HG1 ILE 73 2HG1 ILE 73 9.774 3.978 10.790
594 HG1 ILE 73 QG1 ILE 73 9.774 3.978 10.790
595 1HG2 ILE 73 3HG2 ILE 73 12.061 1.673 9.159
596 2HG2 ILE 73 1HG2 ILE 73 11.684 1.851 10.890
597 3HG2 ILE 73 2HG2 ILE 73 11.125 0.414 10.001
598 1HD1 ILE 73 2HD1 ILE 73 7.564 2.450 9.808
599 2HD1 ILE 73 3HD1 ILE 73 7.512 2.363 11.586
600 3HD1 ILE 73 1HD1 ILE 73 7.513 3.947 10.771
601 H GLY 74 H GLY 74 9.656 4.300 6.140
602 1HA GLY 74 1HA GLY 74 10.272 1.942 4.533
603 2HA GLY 74 2HA GLY 74 8.609 2.494 4.520
604 H GLY 75 H GLY 75 10.853 5.063 5.115
605 1HA GLY 75 1HA GLY 75 11.570 6.795 3.877
606 2HA GLY 75 2HA GLY 75 11.721 5.686 2.528
607 H GLU 76 H GLU 76 9.411 4.972 1.580
608 HA GLU 76 HA GLU 76 7.533 7.142 1.733
609 HB GLU 76 2HB GLU 76 7.770 7.972 -0.392
610 HB GLU 76 QB GLU 76 7.770 7.972 -0.392
611 HG GLU 76 2HG GLU 76 10.204 7.606 -1.264
612 HG GLU 76 QG GLU 76 10.204 7.606 -1.264
613 HE2 GLU 76 HE GLU 76 11.247 9.436 1.885
614 H MET 77 H MET 77 5.405 6.552 0.887
615 HA MET 77 HA MET 77 5.155 3.658 0.713
616 HB MET 77 2HB MET 77 2.734 5.410 1.029
617 HB MET 77 QB MET 77 2.734 5.410 1.029
618 HG MET 77 2HG MET 77 2.220 3.730 2.812
619 HG MET 77 QG MET 77 2.220 3.730 2.812
620 1HE MET 77 1HE MET 77 3.527 1.018 2.108
621 2HE MET 77 2HE MET 77 1.951 0.369 1.595
622 3HE MET 77 3HE MET 77 3.313 0.404 0.451
623 H VAL 78 H VAL 78 4.349 2.674 -1.123
624 HA VAL 78 HA VAL 78 3.299 4.482 -3.189
625 HB VAL 78 HB VAL 78 5.507 2.568 -3.212
626 1HG1 VAL 78 2HG1 VAL 78 3.779 1.154 -4.283
627 2HG1 VAL 78 3HG1 VAL 78 3.499 2.434 -5.488
628 3HG1 VAL 78 1HG1 VAL 78 5.078 1.613 -5.410
629 1HG2 VAL 78 3HG2 VAL 78 4.585 4.740 -5.125
630 2HG2 VAL 78 1HG2 VAL 78 5.777 4.913 -3.814
631 3HG2 VAL 78 2HG2 VAL 78 6.140 3.877 -5.215
632 H VAL 79 H VAL 79 1.745 3.436 -4.700
633 HA VAL 79 HA VAL 79 0.655 0.907 -3.991
634 HB VAL 79 HB VAL 79 -0.218 2.311 -2.160
635 1HG1 VAL 79 2HG1 VAL 79 -1.429 3.904 -4.437
636 2HG1 VAL 79 3HG1 VAL 79 -2.022 3.986 -2.760
637 3HG1 VAL 79 1HG1 VAL 79 -0.354 4.480 -3.140
638 1HG2 VAL 79 1HG2 VAL 79 -2.239 1.282 -4.175
639 2HG2 VAL 79 2HG2 VAL 79 -1.511 0.392 -2.816
640 3HG2 VAL 79 3HG2 VAL 79 -2.636 1.736 -2.500
641 H CYS 80 H CYS 80 -0.045 0.041 -5.877
642 HA CYS 80 HA CYS 80 -0.961 1.940 -7.912
643 HB CYS 80 2HB CYS 80 1.122 1.316 -8.763
644 HB CYS 80 QB CYS 80 1.122 1.316 -8.763
645 HG CYS 80 HG CYS 80 2.010 -1.229 -9.025
646 H ALA 81 H ALA 81 -1.869 0.079 -9.803
647 HA ALA 81 HA ALA 81 -3.463 -1.391 -10.280
648 1HB ALA 81 1HB ALA 81 -2.397 -2.369 -7.793
649 2HB ALA 81 2HB ALA 81 -4.164 -2.582 -7.781
650 3HB ALA 81 3HB ALA 81 -3.191 -3.281 -9.099
651 H ILE 82 H ILE 82 -3.930 1.383 -9.517
652 HA ILE 82 HA ILE 82 -6.087 1.644 -7.774
653 HB ILE 82 HB ILE 82 -4.526 3.406 -8.729
654 HG1 ILE 82 2HG1 ILE 82 -7.401 4.274 -8.879
655 HG1 ILE 82 QG1 ILE 82 -7.401 4.274 -8.879
656 1HG2 ILE 82 1HG2 ILE 82 -5.710 2.604 -11.152
657 2HG2 ILE 82 2HG2 ILE 82 -6.333 4.237 -10.814
658 3HG2 ILE 82 3HG2 ILE 82 -4.578 3.950 -10.878
659 1HD1 ILE 82 1HD1 ILE 82 -5.891 3.144 -6.495
660 2HD1 ILE 82 2HD1 ILE 82 -7.199 4.335 -6.296
661 3HD1 ILE 82 3HD1 ILE 82 -7.539 2.755 -7.044
662 H SER 83 H SER 83 -8.274 2.702 -8.832
663 HA SER 83 HA SER 83 -9.112 1.312 -11.155
664 HB SER 83 2HB SER 83 -9.300 -0.241 -8.935
665 HB SER 83 QB SER 83 -9.300 -0.241 -8.935
666 HG SER 83 HG SER 83 -11.883 -0.008 -8.751
667 HA PRO 84 HA PRO 84 -11.943 4.615 -11.057
668 HB PRO 84 2HB PRO 84 -12.537 4.310 -13.260
669 HB PRO 84 QB PRO 84 -12.537 4.310 -13.260
670 HG PRO 84 2HG PRO 84 -12.217 2.170 -14.057
671 HG PRO 84 QG PRO 84 -12.217 2.170 -14.057
672 HD PRO 84 2HD PRO 84 -10.584 1.438 -12.613
673 HD PRO 84 QD PRO 84 -10.584 1.438 -12.613
674 H ALA 85 H ALA 85 -12.409 1.988 -9.256
675 HA ALA 85 HA ALA 85 -14.706 3.265 -7.972
676 1HB ALA 85 3HB ALA 85 -14.700 0.736 -9.389
677 2HB ALA 85 1HB ALA 85 -15.027 0.469 -7.660
678 3HB ALA 85 2HB ALA 85 -16.053 1.580 -8.598
679 H VAL 86 H VAL 86 -11.717 3.196 -7.554
680 HA VAL 86 HA VAL 86 -11.836 2.131 -4.830
681 HB VAL 86 HB VAL 86 -9.802 1.567 -6.969
682 1HG1 VAL 86 3HG1 VAL 86 -8.565 2.517 -5.059
683 2HG1 VAL 86 1HG1 VAL 86 -9.328 1.326 -3.978
684 3HG1 VAL 86 2HG1 VAL 86 -8.229 0.782 -5.269
685 1HG2 VAL 86 2HG2 VAL 86 -11.868 0.076 -6.064
686 2HG2 VAL 86 3HG2 VAL 86 -10.351 -0.617 -6.685
687 3HG2 VAL 86 1HG2 VAL 86 -10.597 -0.443 -4.930
688 H LYS 87 H LYS 87 -10.365 4.313 -7.278
689 HA LYS 87 HA LYS 87 -8.890 5.785 -5.348
690 HB LYS 87 2HB LYS 87 -8.222 5.612 -7.708
691 HB LYS 87 QB LYS 87 -8.222 5.612 -7.708
692 HG LYS 87 2HG LYS 87 -10.672 7.369 -8.210
693 HG LYS 87 QG LYS 87 -10.672 7.369 -8.210
694 HD LYS 87 2HD LYS 87 -8.539 6.286 -10.111
695 HD LYS 87 QD LYS 87 -8.539 6.286 -10.111
696 HE LYS 87 2HE LYS 87 -11.118 7.850 -10.528
697 HE LYS 87 QE LYS 87 -11.118 7.850 -10.528
698 1HZ LYS 87 1HZ LYS 87 -9.843 9.071 -11.950
699 2HZ LYS 87 2HZ LYS 87 -8.621 7.997 -12.010
700 H ARG 88 H ARG 88 -12.214 5.502 -6.015
701 HA ARG 88 HA ARG 88 -12.953 8.176 -5.734
702 HB ARG 88 2HB ARG 88 -14.327 6.112 -6.589
703 HB ARG 88 QB ARG 88 -14.327 6.112 -6.589
704 HG ARG 88 2HG ARG 88 -15.913 5.322 -4.709
705 HG ARG 88 QG ARG 88 -15.913 5.322 -4.709
706 HD ARG 88 2HD ARG 88 -13.213 4.281 -3.976
707 HD ARG 88 QD ARG 88 -13.213 4.281 -3.976
708 HE ARG 88 HE ARG 88 -14.660 2.482 -3.703
709 1HH1 ARG 88 2HH2 ARG 88 -15.799 4.379 -6.470
710 2HH1 ARG 88 1HH2 ARG 88 -17.135 3.327 -6.799
711 HH2 ARG 88 1HH ARG 88 -17.482 1.402 -5.414
712 H LEU 89 H LEU 89 -11.992 5.638 -3.485
713 HA LEU 89 HA LEU 89 -13.278 6.673 -1.193
714 HB LEU 89 2HB LEU 89 -11.039 5.271 -0.342
715 HB LEU 89 QB LEU 89 -11.039 5.271 -0.342
716 HG LEU 89 HG LEU 89 -13.790 4.229 -1.062
717 1HD1 LEU 89 1HD1 LEU 89 -12.043 2.443 -1.119
718 2HD1 LEU 89 2HD1 LEU 89 -11.687 2.806 0.587
719 3HD1 LEU 89 3HD1 LEU 89 -13.298 2.208 0.121
720 1HD2 LEU 89 1HD2 LEU 89 -13.291 5.993 0.842
721 2HD2 LEU 89 2HD2 LEU 89 -14.444 4.659 1.086
722 3HD2 LEU 89 3HD2 LEU 89 -12.793 4.538 1.738
723 H PHE 90 H PHE 90 -10.000 7.091 -2.652
724 HA PHE 90 HA PHE 90 -9.245 8.909 -0.561
725 HB PHE 90 2HB PHE 90 -7.150 8.980 -1.912
726 HB PHE 90 QB PHE 90 -7.150 8.980 -1.912
727 HD1 PHE 90 2HD PHE 90 -7.217 7.454 0.255
728 HD2 PHE 90 1HD PHE 90 -7.779 6.041 -3.706
729 HE1 PHE 90 2HE PHE 90 -6.562 5.144 0.988
730 HE2 PHE 90 1HE PHE 90 -7.125 3.730 -2.974
731 HZ PHE 90 HZ PHE 90 -6.524 3.310 -0.636
732 H ASP 91 H ASP 91 -10.910 9.063 -3.622
733 HA ASP 91 HA ASP 91 -10.090 11.635 -4.350
734 HB ASP 91 2HB ASP 91 -12.826 10.965 -5.169
735 HB ASP 91 QB ASP 91 -12.826 10.965 -5.169
736 HD2 ASP 91 HD ASP 91 -11.581 9.627 -7.508
737 H MET 92 H MET 92 -12.680 10.232 -2.300
738 HA MET 92 HA MET 92 -13.908 12.810 -1.957
739 HB MET 92 2HB MET 92 -15.213 11.164 -0.202
740 HB MET 92 QB MET 92 -15.213 11.164 -0.202
741 HG MET 92 2HG MET 92 -15.823 10.491 -3.048
742 HG MET 92 QG MET 92 -15.823 10.491 -3.048
743 1HE MET 92 2HE MET 92 -18.313 11.665 -3.649
744 2HE MET 92 3HE MET 92 -19.548 11.934 -2.396
745 3HE MET 92 1HE MET 92 -18.204 13.086 -2.584
746 H SER 93 H SER 93 -11.617 10.660 -0.346
747 HA SER 93 HA SER 93 -11.955 11.651 2.235
748 HB SER 93 2HB SER 93 -9.207 10.835 1.680
749 HB SER 93 QB SER 93 -9.207 10.835 1.680
750 HG SER 93 HG SER 93 -10.209 10.460 3.713
751 H GLY 94 H GLY 94 -10.260 12.824 -0.647
752 1HA GLY 94 1HA GLY 94 -9.226 14.774 -1.078
753 2HA GLY 94 2HA GLY 94 -9.898 15.410 0.411
754 H LEU 95 H LEU 95 -8.000 12.452 0.631
755 HA LEU 95 HA LEU 95 -5.680 14.026 1.493
756 HB LEU 95 2HB LEU 95 -6.301 11.531 2.964
757 HB LEU 95 QB LEU 95 -6.301 11.531 2.964
758 HG LEU 95 HG LEU 95 -5.834 13.985 4.491
759 1HD1 LEU 95 1HD1 LEU 95 -5.413 11.182 4.708
760 2HD1 LEU 95 2HD1 LEU 95 -3.832 11.983 4.869
761 3HD1 LEU 95 3HD1 LEU 95 -5.176 12.443 5.941
762 1HD2 LEU 95 1HD2 LEU 95 -4.004 13.302 2.248
763 2HD2 LEU 95 2HD2 LEU 95 -4.354 14.869 3.017
764 3HD2 LEU 95 3HD2 LEU 95 -3.262 13.711 3.814
765 H PHE 96 H PHE 96 -6.730 12.276 -0.932
766 HA PHE 96 HA PHE 96 -5.456 9.937 -1.184
767 HB PHE 96 2HB PHE 96 -5.004 11.849 -3.446
768 HB PHE 96 QB PHE 96 -5.004 11.849 -3.446
769 HD1 PHE 96 1HD PHE 96 -4.706 8.795 -2.747
770 HD2 PHE 96 2HD PHE 96 -7.601 11.064 -4.864
771 HE1 PHE 96 1HE PHE 96 -5.305 6.768 -4.101
772 HE2 PHE 96 2HE PHE 96 -8.199 9.037 -6.218
773 HZ PHE 96 HZ PHE 96 -7.044 6.913 -5.821
774 H LYS 97 H LYS 97 -3.948 13.158 -1.043
775 HA LYS 97 HA LYS 97 -1.469 12.457 -2.123
776 HB LYS 97 2HB LYS 97 -0.737 14.545 -1.362
777 HB LYS 97 QB LYS 97 -0.737 14.545 -1.362
778 HG LYS 97 2HG LYS 97 -3.657 15.215 -1.221
779 HG LYS 97 QG LYS 97 -3.657 15.215 -1.221
780 HD LYS 97 2HD LYS 97 -1.939 16.201 -3.430
781 HD LYS 97 QD LYS 97 -1.939 16.201 -3.430
782 HE LYS 97 2HE LYS 97 -3.037 18.050 -1.373
783 HE LYS 97 QE LYS 97 -3.037 18.050 -1.373
784 1HZ LYS 97 1HZ LYS 97 -4.146 18.508 -3.820
785 2HZ LYS 97 2HZ LYS 97 -2.786 19.218 -3.273
786 H ILE 98 H ILE 98 -3.034 11.660 0.898
787 HA ILE 98 HA ILE 98 -0.537 11.076 2.226
788 HB ILE 98 HB ILE 98 -3.076 11.782 3.049
789 HG1 ILE 98 2HG1 ILE 98 -1.874 12.327 4.836
790 HG1 ILE 98 QG1 ILE 98 -1.874 12.327 4.836
791 1HG2 ILE 98 1HG2 ILE 98 -3.872 9.486 2.715
792 2HG2 ILE 98 2HG2 ILE 98 -2.604 8.887 3.811
793 3HG2 ILE 98 3HG2 ILE 98 -3.889 9.950 4.433
794 1HD1 ILE 98 1HD1 ILE 98 -1.184 9.369 5.146
795 2HD1 ILE 98 2HD1 ILE 98 -0.917 10.634 6.369
796 3HD1 ILE 98 3HD1 ILE 98 -2.574 10.188 5.897
797 H ILE 99 H ILE 99 -2.435 9.630 -0.172
798 HA ILE 99 HA ILE 99 -1.520 6.965 0.664
799 HB ILE 99 HB ILE 99 -3.955 7.830 -0.886
800 HG1 ILE 99 2HG1 ILE 99 -5.187 6.705 0.860
801 HG1 ILE 99 QG1 ILE 99 -5.187 6.705 0.860
802 1HG2 ILE 99 2HG2 ILE 99 -2.884 5.931 -2.039
803 2HG2 ILE 99 3HG2 ILE 99 -2.928 5.001 -0.521
804 3HG2 ILE 99 1HG2 ILE 99 -4.447 5.494 -1.309
805 1HD1 ILE 99 1HD1 ILE 99 -2.613 5.467 1.392
806 2HD1 ILE 99 2HD1 ILE 99 -3.207 6.279 2.861
807 3HD1 ILE 99 3HD1 ILE 99 -4.212 5.049 2.055
808 H ARG 100 H ARG 100 -1.178 9.595 -1.537
809 HA ARG 100 HA ARG 100 -0.414 9.720 -3.613
810 HB ARG 100 2HB ARG 100 1.939 8.016 -2.891
811 HB ARG 100 QB ARG 100 1.939 8.016 -2.891
812 HG ARG 100 2HG ARG 100 1.659 11.003 -3.466
813 HG ARG 100 QG ARG 100 1.659 11.003 -3.466
814 HD ARG 100 2HD ARG 100 4.145 9.905 -4.344
815 HD ARG 100 QD ARG 100 4.145 9.905 -4.344
816 HE ARG 100 HE ARG 100 4.226 12.127 -3.498
817 1HH1 ARG 100 2HH2 ARG 100 3.429 9.825 -0.924
818 2HH1 ARG 100 1HH2 ARG 100 3.718 10.960 0.350
819 HH2 ARG 100 1HH ARG 100 4.409 13.189 -0.196
820 H PHE 101 H PHE 101 -1.843 8.451 -4.940
821 HA PHE 101 HA PHE 101 -0.910 5.715 -5.443
822 HB PHE 101 2HB PHE 101 -3.567 6.716 -6.438
823 HB PHE 101 QB PHE 101 -3.567 6.716 -6.438
824 HD1 PHE 101 1HD PHE 101 -3.076 4.500 -7.649
825 HD2 PHE 101 2HD PHE 101 -3.738 4.768 -3.465
826 HE1 PHE 101 1HE PHE 101 -3.633 2.053 -7.579
827 HE2 PHE 101 2HE PHE 101 -4.294 2.322 -3.396
828 HZ PHE 101 HZ PHE 101 -4.235 0.994 -5.454
829 H GLU 102 H GLU 102 -1.391 4.956 -7.776
830 HA GLU 102 HA GLU 102 -1.091 7.178 -9.622
831 HB GLU 102 2HB GLU 102 0.514 4.776 -10.305
832 HB GLU 102 QB GLU 102 0.514 4.776 -10.305
833 HG GLU 102 2HG GLU 102 2.099 6.439 -11.051
834 HG GLU 102 QG GLU 102 2.099 6.439 -11.051
835 HE2 GLU 102 HE GLU 102 0.343 7.343 -13.716
836 H GLN 103 H GLN 103 -0.499 4.983 -11.741
837 HA GLN 103 HA GLN 103 -2.921 3.470 -11.715
838 HB GLN 103 2HB GLN 103 -3.932 4.405 -13.679
839 HB GLN 103 QB GLN 103 -3.932 4.405 -13.679
840 HG GLN 103 2HG GLN 103 -2.890 6.687 -11.935
841 HG GLN 103 QG GLN 103 -2.890 6.687 -11.935
842 1HE2 GLN 103 2HE2 GLN 103 -5.615 8.772 -13.155
843 2HE2 GLN 103 1HE2 GLN 103 -4.953 8.179 -11.668
844 H SER 104 H SER 104 -1.738 1.564 -11.930
845 HA SER 104 HA SER 104 -0.372 0.085 -12.771
846 HB SER 104 2HB SER 104 -1.551 1.281 -15.306
847 HB SER 104 QB SER 104 -1.551 1.281 -15.306
848 HG SER 104 HG SER 104 -0.377 -0.062 -16.478
849 H GLU 105 H GLU 105 -0.014 2.872 -15.099
850 HA GLU 105 HA GLU 105 2.428 2.563 -15.956
851 HB GLU 105 2HB GLU 105 1.309 5.181 -14.863
852 HB GLU 105 QB GLU 105 1.309 5.181 -14.863
853 HG GLU 105 2HG GLU 105 3.768 4.499 -16.416
854 HG GLU 105 QG GLU 105 3.768 4.499 -16.416
855 HE2 GLU 105 HE GLU 105 3.908 5.315 -18.642
856 H GLN 106 H GLN 106 1.567 3.352 -12.598
857 HA GLN 106 HA GLN 106 4.063 4.208 -11.766
858 HB GLN 106 2HB GLN 106 1.568 3.196 -10.482
859 HB GLN 106 QB GLN 106 1.568 3.196 -10.482
860 HG GLN 106 2HG GLN 106 4.289 3.171 -9.105
861 HG GLN 106 QG GLN 106 4.289 3.171 -9.105
862 1HE2 GLN 106 2HE2 GLN 106 2.360 5.064 -6.718
863 2HE2 GLN 106 1HE2 GLN 106 3.293 5.243 -8.166
864 H GLN 107 H GLN 107 3.093 1.167 -12.959
865 HA GLN 107 HA GLN 107 4.096 -0.754 -11.497
866 HB GLN 107 2HB GLN 107 3.249 -0.997 -13.833
867 HB GLN 107 QB GLN 107 3.249 -0.997 -13.833
868 HG GLN 107 2HG GLN 107 5.555 0.656 -14.412
869 HG GLN 107 QG GLN 107 5.555 0.656 -14.412
870 1HE2 GLN 107 1HE2 GLN 107 6.897 0.471 -16.303
871 2HE2 GLN 107 2HE2 GLN 107 7.576 -1.056 -16.756
872 H ALA 108 H ALA 108 5.985 1.881 -12.929
873 HA ALA 108 HA ALA 108 8.483 0.572 -12.209
874 1HB ALA 108 1HB ALA 108 8.091 1.800 -14.411
875 2HB ALA 108 2HB ALA 108 8.052 3.306 -13.462
876 3HB ALA 108 3HB ALA 108 9.526 2.308 -13.488
877 H LEU 109 H LEU 109 6.616 3.611 -11.527
878 HA LEU 109 HA LEU 109 8.377 4.473 -9.512
879 HB LEU 109 2HB LEU 109 5.753 5.486 -9.084
880 HB LEU 109 QB LEU 109 5.753 5.486 -9.084
881 HG LEU 109 HG LEU 109 8.143 6.660 -10.526
882 1HD1 LEU 109 2HD1 LEU 109 5.385 7.675 -10.201
883 2HD1 LEU 109 3HD1 LEU 109 6.685 8.820 -9.792
884 3HD1 LEU 109 1HD1 LEU 109 6.630 8.075 -11.408
885 1HD2 LEU 109 1HD2 LEU 109 8.199 6.095 -8.000
886 2HD2 LEU 109 2HD2 LEU 109 8.726 7.708 -8.538
887 3HD2 LEU 109 3HD2 LEU 109 7.109 7.492 -7.827
888 H LEU 110 H LEU 110 6.117 1.883 -9.657
889 HA LEU 110 HA LEU 110 5.078 1.866 -7.097
890 HB LEU 110 2HB LEU 110 5.635 -0.165 -9.202
891 HB LEU 110 QB LEU 110 5.635 -0.165 -9.202
892 HG LEU 110 HG LEU 110 6.111 -1.394 -7.087
893 1HD1 LEU 110 1HD1 LEU 110 3.392 -0.329 -6.341
894 2HD1 LEU 110 2HD1 LEU 110 4.032 -1.832 -5.634
895 3HD1 LEU 110 3HD1 LEU 110 4.909 -0.300 -5.412
896 1HD2 LEU 110 1HD2 LEU 110 4.311 -2.057 -9.174
897 2HD2 LEU 110 2HD2 LEU 110 5.294 -3.147 -8.167
898 3HD2 LEU 110 3HD2 LEU 110 3.641 -2.719 -7.664
899 H THR 111 H THR 111 8.296 0.913 -8.339
900 HA THR 111 HA THR 111 9.192 -0.459 -6.087
901 HB THR 111 HB THR 111 10.241 0.726 -8.569
902 HG1 THR 111 1HG THR 111 10.987 -1.356 -6.637
903 1HG2 THR 111 2HG2 THR 111 12.069 0.578 -6.113
904 2HG2 THR 111 3HG2 THR 111 12.610 0.807 -7.794
905 3HG2 THR 111 1HG2 THR 111 11.651 2.071 -6.986
906 H LEU 112 H LEU 112 8.041 2.685 -6.195
907 HA LEU 112 HA LEU 112 7.908 4.034 -4.374
908 HB LEU 112 2HB LEU 112 10.544 3.192 -3.265
909 HB LEU 112 QB LEU 112 10.544 3.192 -3.265
910 HG LEU 112 HG LEU 112 8.781 3.067 -1.213
911 1HD1 LEU 112 1HD1 LEU 112 11.003 4.426 -1.694
912 2HD1 LEU 112 2HD1 LEU 112 9.856 5.777 -1.864
913 3HD1 LEU 112 3HD1 LEU 112 9.919 4.846 -0.347
914 1HD2 LEU 112 2HD2 LEU 112 6.950 3.843 -2.767
915 2HD2 LEU 112 3HD2 LEU 112 7.166 4.801 -1.283
916 3HD2 LEU 112 1HD2 LEU 112 7.782 5.414 -2.836
917 H GLY 113 H GLY 113 9.145 4.275 -7.073
918 1HA GLY 113 1HA GLY 113 10.523 5.634 -8.252
919 2HA GLY 113 2HA GLY 113 9.895 6.849 -7.156
920 H VAL 114 H VAL 114 11.820 4.149 -5.888
921 HA VAL 114 HA VAL 114 14.126 5.952 -5.678
922 HB VAL 114 HB VAL 114 12.902 4.226 -3.517
923 1HG1 VAL 114 3HG1 VAL 114 15.607 5.459 -3.795
924 2HG1 VAL 114 1HG1 VAL 114 14.820 5.544 -2.201
925 3HG1 VAL 114 2HG1 VAL 114 15.105 3.964 -2.970
926 1HG2 VAL 114 2HG2 VAL 114 12.291 6.832 -4.266
927 2HG2 VAL 114 3HG2 VAL 114 11.941 6.075 -2.693
928 3HG2 VAL 114 1HG2 VAL 114 13.423 7.038 -2.908
929 H ALA 115 H ALA 115 14.333 4.493 -7.785
930 HA ALA 115 HA ALA 115 16.472 2.913 -7.575
931 1HB ALA 115 3HB ALA 115 14.109 1.517 -6.515
932 2HB ALA 115 1HB ALA 115 14.934 0.614 -7.808
933 3HB ALA 115 2HB ALA 115 15.836 1.117 -6.359
934 H SER 116 H SER 116 16.813 3.829 -9.617
935 HA SER 116 HA SER 116 16.341 2.470 -11.800
936 HB SER 116 2HB SER 116 13.838 3.911 -11.059
937 HB SER 116 QB SER 116 13.838 3.911 -11.059
938 HG SER 116 HG SER 116 13.294 4.496 -13.132
No H/Q in entry = 795
Start of MODEL 15
1 H SER 1 H SER 1 -12.683 -14.929 0.246
2 HA SER 1 HA SER 1 -10.244 -15.390 1.220
3 HB SER 1 2HB SER 1 -10.240 -15.383 -1.735
4 HB SER 1 QB SER 1 -10.240 -15.383 -1.735
5 HG SER 1 HG SER 1 -9.057 -17.057 -1.106
6 H LEU 2 H LEU 2 -8.066 -14.642 0.806
7 HA LEU 2 HA LEU 2 -7.690 -12.356 -0.886
8 HB LEU 2 2HB LEU 2 -7.827 -12.103 2.088
9 HB LEU 2 QB LEU 2 -7.827 -12.103 2.088
10 HG LEU 2 HG LEU 2 -5.514 -11.257 0.886
11 1HD1 LEU 2 1HD1 LEU 2 -7.417 -9.557 -0.196
12 2HD1 LEU 2 2HD1 LEU 2 -6.721 -8.616 1.145
13 3HD1 LEU 2 3HD1 LEU 2 -5.661 -9.277 -0.123
14 1HD2 LEU 2 3HD2 LEU 2 -6.949 -10.807 3.361
15 2HD2 LEU 2 1HD2 LEU 2 -5.200 -10.962 3.065
16 3HD2 LEU 2 2HD2 LEU 2 -5.994 -9.376 2.903
17 H GLY 3 H GLY 3 -5.537 -12.167 -1.534
18 1HA GLY 3 1HA GLY 3 -3.830 -14.393 -0.684
19 2HA GLY 3 2HA GLY 3 -3.657 -13.411 -2.125
20 H ILE 4 H ILE 4 -1.339 -13.264 -1.405
21 HA ILE 4 HA ILE 4 -0.792 -10.785 -0.318
22 HB ILE 4 HB ILE 4 -1.638 -12.249 1.726
23 HG1 ILE 4 2HG1 ILE 4 0.135 -10.846 3.103
24 HG1 ILE 4 QG1 ILE 4 0.135 -10.846 3.103
25 1HG2 ILE 4 1HG2 ILE 4 0.056 -14.021 1.344
26 2HG2 ILE 4 2HG2 ILE 4 1.335 -12.836 1.701
27 3HG2 ILE 4 3HG2 ILE 4 0.157 -13.281 2.960
28 1HD1 ILE 4 1HD1 ILE 4 1.514 -10.474 0.955
29 2HD1 ILE 4 2HD1 ILE 4 0.181 -9.428 0.411
30 3HD1 ILE 4 3HD1 ILE 4 1.090 -9.016 1.884
31 H ASP 5 H ASP 5 1.241 -10.229 -0.985
32 HA ASP 5 HA ASP 5 3.116 -12.396 -1.380
33 HB ASP 5 2HB ASP 5 3.262 -10.441 -3.563
34 HB ASP 5 QB ASP 5 3.262 -10.441 -3.563
35 HD2 ASP 5 HD ASP 5 2.007 -13.939 -3.928
36 H MET 6 H MET 6 5.351 -11.630 -1.257
37 HA MET 6 HA MET 6 5.654 -8.776 -0.838
38 HB MET 6 2HB MET 6 7.251 -9.486 1.136
39 HB MET 6 QB MET 6 7.251 -9.486 1.136
40 HG MET 6 2HG MET 6 4.213 -9.734 1.290
41 HG MET 6 QG MET 6 4.213 -9.734 1.290
42 1HE MET 6 1HE MET 6 3.084 -10.447 2.770
43 2HE MET 6 2HE MET 6 3.692 -11.558 4.021
44 3HE MET 6 3HE MET 6 3.201 -9.905 4.462
45 H ASN 7 H ASN 7 7.573 -7.944 -1.672
46 HA ASN 7 HA ASN 7 9.605 -9.886 -2.384
47 HB ASN 7 2HB ASN 7 9.497 -7.885 -4.465
48 HB ASN 7 QB ASN 7 9.497 -7.885 -4.465
49 1HD2 ASN 7 2HD2 ASN 7 10.868 -10.759 -5.886
50 2HD2 ASN 7 1HD2 ASN 7 11.114 -9.179 -5.221
51 H VAL 8 H VAL 8 11.724 -8.653 -3.007
52 HA VAL 8 HA VAL 8 11.792 -6.020 -1.711
53 HB VAL 8 HB VAL 8 12.905 -8.406 -0.741
54 1HG1 VAL 8 1HG1 VAL 8 14.711 -8.174 -2.410
55 2HG1 VAL 8 2HG1 VAL 8 15.086 -6.557 -1.767
56 3HG1 VAL 8 3HG1 VAL 8 15.312 -7.996 -0.744
57 1HG2 VAL 8 2HG2 VAL 8 13.027 -5.492 -0.063
58 2HG2 VAL 8 3HG2 VAL 8 12.373 -6.860 0.870
59 3HG2 VAL 8 1HG2 VAL 8 14.133 -6.605 0.780
60 H LYS 9 H LYS 9 13.113 -4.475 -2.713
61 HA LYS 9 HA LYS 9 14.711 -5.357 -4.971
62 HB LYS 9 2HB LYS 9 13.464 -4.485 -6.613
63 HB LYS 9 QB LYS 9 13.464 -4.485 -6.613
64 HG LYS 9 2HG LYS 9 10.974 -4.107 -5.937
65 HG LYS 9 QG LYS 9 10.974 -4.107 -5.937
66 HD LYS 9 2HD LYS 9 11.329 -6.752 -4.897
67 HD LYS 9 QD LYS 9 11.329 -6.752 -4.897
68 HE LYS 9 2HE LYS 9 10.301 -5.401 -7.302
69 HE LYS 9 QE LYS 9 10.301 -5.401 -7.302
70 1HZ LYS 9 1HZ LYS 9 11.213 -6.727 -8.845
71 2HZ LYS 9 2HZ LYS 9 12.110 -7.517 -7.740
72 H GLU 10 H GLU 10 16.663 -4.641 -4.255
73 HA GLU 10 HA GLU 10 18.234 -3.279 -3.634
74 HB GLU 10 2HB GLU 10 16.247 -1.275 -4.716
75 HB GLU 10 QB GLU 10 16.247 -1.275 -4.716
76 HG GLU 10 2HG GLU 10 18.609 -0.721 -2.976
77 HG GLU 10 QG GLU 10 18.609 -0.721 -2.976
78 HE1 GLU 10 HE GLU 10 20.388 0.508 -5.705
79 H SER 11 H SER 11 15.008 -2.842 -2.290
80 HA SER 11 HA SER 11 15.622 -3.058 0.257
81 HB SER 11 2HB SER 11 16.861 -1.279 0.898
82 HB SER 11 QB SER 11 16.861 -1.279 0.898
83 HG SER 11 HG SER 11 16.996 0.669 -0.580
84 H VAL 12 H VAL 12 13.670 -2.231 -2.313
85 HA VAL 12 HA VAL 12 11.498 -1.129 -0.738
86 HB VAL 12 HB VAL 12 12.124 -0.309 -3.018
87 1HG1 VAL 12 2HG1 VAL 12 12.365 -2.873 -3.763
88 2HG1 VAL 12 3HG1 VAL 12 10.679 -2.602 -4.265
89 3HG1 VAL 12 1HG1 VAL 12 11.978 -1.571 -4.914
90 1HG2 VAL 12 2HG2 VAL 12 9.885 0.051 -1.977
91 2HG2 VAL 12 3HG2 VAL 12 9.843 0.004 -3.756
92 3HG2 VAL 12 1HG2 VAL 12 9.300 -1.406 -2.816
93 H LEU 13 H LEU 13 9.935 -2.346 0.197
94 HA LEU 13 HA LEU 13 9.966 -5.195 -0.406
95 HB LEU 13 2HB LEU 13 9.651 -5.445 1.754
96 HB LEU 13 QB LEU 13 9.651 -5.445 1.754
97 HG LEU 13 HG LEU 13 10.622 -2.903 1.733
98 1HD1 LEU 13 2HD1 LEU 13 8.058 -2.258 1.862
99 2HD1 LEU 13 3HD1 LEU 13 8.311 -2.570 3.596
100 3HD1 LEU 13 1HD1 LEU 13 9.299 -1.349 2.758
101 1HD2 LEU 13 2HD2 LEU 13 10.071 -4.953 3.773
102 2HD2 LEU 13 3HD2 LEU 13 11.568 -4.066 3.401
103 3HD2 LEU 13 1HD2 LEU 13 10.313 -3.310 4.413
104 H CYS 14 H CYS 14 8.802 -5.599 -2.246
105 HA CYS 14 HA CYS 14 6.484 -4.089 -2.867
106 HB CYS 14 2HB CYS 14 6.462 -5.214 -4.875
107 HB CYS 14 QB CYS 14 6.462 -5.214 -4.875
108 HG CYS 14 HG CYS 14 9.447 -6.141 -3.812
109 H ILE 15 H ILE 15 4.297 -4.664 -2.544
110 HA ILE 15 HA ILE 15 3.841 -7.207 -1.159
111 HB ILE 15 HB ILE 15 3.312 -4.459 -0.234
112 HG1 ILE 15 2HG1 ILE 15 3.653 -7.141 1.137
113 HG1 ILE 15 QG1 ILE 15 3.653 -7.141 1.137
114 1HG2 ILE 15 1HG2 ILE 15 1.199 -6.609 -0.130
115 2HG2 ILE 15 2HG2 ILE 15 1.296 -5.313 1.085
116 3HG2 ILE 15 3HG2 ILE 15 1.043 -4.909 -0.629
117 1HD1 ILE 15 3HD1 ILE 15 5.485 -5.053 0.137
118 2HD1 ILE 15 1HD1 ILE 15 5.707 -5.409 1.866
119 3HD1 ILE 15 2HD1 ILE 15 5.840 -6.715 0.665
120 H ARG 16 H ARG 16 2.853 -8.362 -2.759
121 HA ARG 16 HA ARG 16 0.871 -6.952 -4.324
122 HB ARG 16 2HB ARG 16 1.189 -9.727 -5.116
123 HB ARG 16 QB ARG 16 1.189 -9.727 -5.116
124 HG ARG 16 2HG ARG 16 1.256 -7.053 -6.262
125 HG ARG 16 QG ARG 16 1.256 -7.053 -6.262
126 HD ARG 16 2HD ARG 16 3.447 -8.998 -7.120
127 HD ARG 16 QD ARG 16 3.447 -8.998 -7.120
128 HE ARG 16 HE ARG 16 2.963 -6.573 -8.709
129 1HH1 ARG 16 2HH2 ARG 16 2.345 -10.051 -8.433
130 2HH1 ARG 16 1HH2 ARG 16 1.990 -10.247 -10.117
131 HH2 ARG 16 1HH ARG 16 2.082 -8.341 -11.566
132 H LEU 17 H LEU 17 -1.072 -6.922 -3.172
133 HA LEU 17 HA LEU 17 -1.870 -9.380 -1.820
134 HB LEU 17 2HB LEU 17 -3.782 -7.649 -1.153
135 HB LEU 17 QB LEU 17 -3.782 -7.649 -1.153
136 HG LEU 17 HG LEU 17 -1.029 -7.912 0.033
137 1HD1 LEU 17 1HD1 LEU 17 -2.327 -5.542 0.268
138 2HD1 LEU 17 2HD1 LEU 17 -3.013 -6.433 1.647
139 3HD1 LEU 17 3HD1 LEU 17 -1.251 -6.229 1.508
140 1HD2 LEU 17 1HD2 LEU 17 -3.785 -8.910 0.651
141 2HD2 LEU 17 2HD2 LEU 17 -2.234 -9.781 0.607
142 3HD2 LEU 17 3HD2 LEU 17 -2.613 -8.705 1.975
143 H THR 18 H THR 18 -3.433 -10.716 -2.604
144 HA THR 18 HA THR 18 -5.079 -9.673 -4.808
145 HB THR 18 HB THR 18 -4.768 -12.176 -5.649
146 HG1 THR 18 1HG THR 18 -2.779 -13.034 -4.809
147 1HG2 THR 18 3HG2 THR 18 -2.938 -9.814 -5.914
148 2HG2 THR 18 1HG2 THR 18 -2.248 -11.387 -6.382
149 3HG2 THR 18 2HG2 THR 18 -3.719 -10.786 -7.184
150 H GLY 19 H GLY 19 -7.147 -9.644 -4.221
151 1HA GLY 19 1HA GLY 19 -8.773 -11.645 -3.637
152 2HA GLY 19 2HA GLY 19 -8.024 -11.412 -2.070
153 H GLU 20 H GLU 20 -9.148 -10.101 -0.709
154 HA GLU 20 HA GLU 20 -10.614 -7.912 -1.964
155 HB GLU 20 2HB GLU 20 -11.871 -8.520 0.511
156 HB GLU 20 QB GLU 20 -11.871 -8.520 0.511
157 HG GLU 20 2HG GLU 20 -12.505 -8.341 -2.326
158 HG GLU 20 QG GLU 20 -12.505 -8.341 -2.326
159 HE2 GLU 20 HE GLU 20 -15.143 -9.356 -2.484
160 H LEU 21 H LEU 21 -10.956 -5.991 -0.501
161 HA LEU 21 HA LEU 21 -8.844 -5.838 1.533
162 HB LEU 21 2HB LEU 21 -8.885 -3.317 0.709
163 HB LEU 21 QB LEU 21 -8.885 -3.317 0.709
164 HG LEU 21 HG LEU 21 -6.886 -3.594 -0.380
165 1HD1 LEU 21 2HD1 LEU 21 -6.978 -4.827 1.858
166 2HD1 LEU 21 3HD1 LEU 21 -6.982 -6.325 0.897
167 3HD1 LEU 21 1HD1 LEU 21 -5.614 -5.192 0.773
168 1HD2 LEU 21 1HD2 LEU 21 -8.219 -5.912 -1.684
169 2HD2 LEU 21 2HD2 LEU 21 -7.227 -4.608 -2.381
170 3HD2 LEU 21 3HD2 LEU 21 -6.446 -5.966 -1.535
171 H ASP 22 H ASP 22 -10.422 -6.354 3.153
172 HA ASP 22 HA ASP 22 -12.145 -4.074 3.668
173 HB ASP 22 2HB ASP 22 -14.034 -5.332 3.632
174 HB ASP 22 QB ASP 22 -14.034 -5.332 3.632
175 HD2 ASP 22 HD ASP 22 -13.060 -8.889 2.747
176 H HIS 23 H HIS 23 -12.926 -4.221 6.116
177 HA HIS 23 HA HIS 23 -10.832 -4.122 7.789
178 HB HIS 23 2HB HIS 23 -13.374 -3.583 8.089
179 HB HIS 23 QB HIS 23 -13.374 -3.583 8.089
180 HD1 HIS 23 1HD HIS 23 -12.859 -5.966 10.912
181 HD2 HIS 23 2HD HIS 23 -15.209 -5.707 7.447
182 HE1 HIS 23 1HE HIS 23 -14.684 -7.733 11.152
183 H HIS 24 H HIS 24 -12.369 -7.004 6.474
184 HA HIS 24 HA HIS 24 -11.286 -8.746 8.458
185 HB HIS 24 2HB HIS 24 -11.963 -10.404 6.448
186 HB HIS 24 QB HIS 24 -11.963 -10.404 6.448
187 HD1 HIS 24 1HD HIS 24 -15.231 -9.124 6.836
188 HD2 HIS 24 2HD HIS 24 -12.487 -10.866 9.488
189 HE1 HIS 24 1HE HIS 24 -16.593 -9.967 8.822
190 H THR 25 H THR 25 -10.584 -8.022 4.968
191 HA THR 25 HA THR 25 -8.165 -9.582 5.079
192 HB THR 25 HB THR 25 -8.216 -9.304 2.750
193 HG1 THR 25 1HG THR 25 -7.906 -6.999 2.803
194 1HG2 THR 25 1HG2 THR 25 -10.697 -9.773 3.760
195 2HG2 THR 25 2HG2 THR 25 -11.000 -8.186 3.012
196 3HG2 THR 25 3HG2 THR 25 -10.419 -9.543 2.017
197 H ALA 26 H ALA 26 -9.120 -6.311 5.814
198 HA ALA 26 HA ALA 26 -6.581 -5.138 5.299
199 1HB ALA 26 2HB ALA 26 -9.218 -4.373 6.384
200 2HB ALA 26 3HB ALA 26 -7.850 -3.523 7.143
201 3HB ALA 26 1HB ALA 26 -8.082 -3.442 5.380
202 H GLU 27 H GLU 27 -7.866 -7.241 7.740
203 HA GLU 27 HA GLU 27 -6.314 -6.294 9.879
204 HB GLU 27 2HB GLU 27 -6.886 -9.113 10.147
205 HB GLU 27 QB GLU 27 -6.886 -9.113 10.147
206 HG GLU 27 2HG GLU 27 -7.105 -6.792 11.660
207 HG GLU 27 QG GLU 27 -7.105 -6.792 11.660
208 HE2 GLU 27 HE GLU 27 -9.843 -5.289 11.056
209 H THR 28 H THR 28 -5.896 -8.907 7.414
210 HA THR 28 HA THR 28 -3.636 -10.112 8.360
211 HB THR 28 HB THR 28 -4.975 -9.656 5.731
212 HG1 THR 28 1HG THR 28 -3.551 -11.859 7.048
213 1HG2 THR 28 3HG2 THR 28 -2.018 -10.338 6.003
214 2HG2 THR 28 1HG2 THR 28 -2.999 -11.039 4.694
215 3HG2 THR 28 2HG2 THR 28 -2.798 -9.274 4.808
216 H LEU 29 H LEU 29 -3.832 -7.070 6.422
217 HA LEU 29 HA LEU 29 -1.027 -6.754 6.339
218 HB LEU 29 2HB LEU 29 -3.414 -5.053 5.736
219 HB LEU 29 QB LEU 29 -3.414 -5.053 5.736
220 HG LEU 29 HG LEU 29 -1.870 -3.350 4.761
221 1HD1 LEU 29 3HD1 LEU 29 -3.105 -3.266 7.075
222 2HD1 LEU 29 1HD1 LEU 29 -1.450 -3.312 7.728
223 3HD1 LEU 29 2HD1 LEU 29 -1.935 -2.003 6.623
224 1HD2 LEU 29 1HD2 LEU 29 0.134 -5.093 5.229
225 2HD2 LEU 29 2HD2 LEU 29 0.369 -3.341 5.024
226 3HD2 LEU 29 3HD2 LEU 29 0.296 -4.044 6.658
227 H LYS 30 H LYS 30 -3.544 -6.048 8.715
228 HA LYS 30 HA LYS 30 -2.454 -4.017 10.149
229 HB LYS 30 2HB LYS 30 -3.601 -6.354 11.627
230 HB LYS 30 QB LYS 30 -3.601 -6.354 11.627
231 HG LYS 30 2HG LYS 30 -5.075 -4.310 12.387
232 HG LYS 30 QG LYS 30 -5.075 -4.310 12.387
233 HD LYS 30 2HD LYS 30 -3.433 -3.693 14.085
234 HD LYS 30 QD LYS 30 -3.433 -3.693 14.085
235 HE LYS 30 2HE LYS 30 -2.488 -6.484 13.549
236 HE LYS 30 QE LYS 30 -2.488 -6.484 13.549
237 1HZ LYS 30 1HZ LYS 30 -2.898 -4.865 15.746
238 2HZ LYS 30 2HZ LYS 30 -4.070 -5.989 15.862
239 H GLN 31 H GLN 31 -1.500 -7.484 10.117
240 HA GLN 31 HA GLN 31 0.373 -7.109 12.204
241 HB GLN 31 2HB GLN 31 -0.801 -9.291 11.570
242 HB GLN 31 QB GLN 31 -0.801 -9.291 11.570
243 HG GLN 31 2HG GLN 31 1.423 -9.930 9.701
244 HG GLN 31 QG GLN 31 1.423 -9.930 9.701
245 1HE2 GLN 31 2HE2 GLN 31 -2.552 -11.137 9.633
246 2HE2 GLN 31 1HE2 GLN 31 -2.094 -9.535 10.109
247 H LYS 32 H LYS 32 0.388 -6.938 8.646
248 HA LYS 32 HA LYS 32 3.181 -7.067 8.329
249 HB LYS 32 2HB LYS 32 0.876 -6.139 6.630
250 HB LYS 32 QB LYS 32 0.876 -6.139 6.630
251 HG LYS 32 2HG LYS 32 2.823 -4.644 6.124
252 HG LYS 32 QG LYS 32 2.823 -4.644 6.124
253 HD LYS 32 2HD LYS 32 4.223 -7.315 6.022
254 HD LYS 32 QD LYS 32 4.223 -7.315 6.022
255 HE LYS 32 2HE LYS 32 4.834 -4.902 4.257
256 HE LYS 32 QE LYS 32 4.834 -4.902 4.257
257 1HZ LYS 32 1HZ LYS 32 6.684 -7.104 4.227
258 2HZ LYS 32 2HZ LYS 32 6.997 -5.506 4.256
259 H VAL 33 H VAL 33 1.144 -4.738 9.794
260 HA VAL 33 HA VAL 33 2.592 -2.415 9.027
261 HB VAL 33 HB VAL 33 0.858 -2.827 11.463
262 1HG1 VAL 33 1HG1 VAL 33 2.292 -0.606 10.524
263 2HG1 VAL 33 2HG1 VAL 33 0.602 -0.297 10.061
264 3HG1 VAL 33 3HG1 VAL 33 1.014 -0.618 11.762
265 1HG2 VAL 33 3HG2 VAL 33 0.111 -2.555 8.562
266 2HG2 VAL 33 1HG2 VAL 33 -0.584 -3.602 9.823
267 3HG2 VAL 33 2HG2 VAL 33 -0.941 -1.859 9.818
268 H THR 34 H THR 34 2.453 -4.390 12.079
269 HA THR 34 HA THR 34 4.456 -3.046 13.427
270 HB THR 34 HB THR 34 3.077 -4.597 14.623
271 HG1 THR 34 1HG THR 34 4.884 -5.415 15.609
272 1HG2 THR 34 2HG2 THR 34 3.961 -6.619 12.505
273 2HG2 THR 34 3HG2 THR 34 3.206 -7.098 14.044
274 3HG2 THR 34 1HG2 THR 34 2.297 -6.108 12.876
275 H GLN 35 H GLN 35 4.694 -5.599 10.925
276 HA GLN 35 HA GLN 35 7.405 -6.074 11.324
277 HB GLN 35 2HB GLN 35 7.223 -6.901 8.852
278 HB GLN 35 QB GLN 35 7.223 -6.901 8.852
279 HG GLN 35 2HG GLN 35 5.770 -7.905 11.283
280 HG GLN 35 QG GLN 35 5.770 -7.905 11.283
281 1HE2 GLN 35 2HE2 GLN 35 3.098 -9.063 9.273
282 2HE2 GLN 35 1HE2 GLN 35 3.640 -7.814 10.343
283 H SER 36 H SER 36 5.617 -3.857 9.089
284 HA SER 36 HA SER 36 8.025 -2.881 7.969
285 HB SER 36 2HB SER 36 5.560 -1.219 7.755
286 HB SER 36 QB SER 36 5.560 -1.219 7.755
287 HG SER 36 HG SER 36 7.714 -1.498 6.336
288 H LEU 37 H LEU 37 5.994 -2.135 10.755
289 HA LEU 37 HA LEU 37 6.516 0.526 11.151
290 HB LEU 37 2HB LEU 37 6.596 -0.832 13.657
291 HB LEU 37 QB LEU 37 6.596 -0.832 13.657
292 HG LEU 37 HG LEU 37 4.068 0.192 12.376
293 1HD1 LEU 37 2HD1 LEU 37 3.848 -0.896 14.539
294 2HD1 LEU 37 3HD1 LEU 37 5.086 0.179 15.231
295 3HD1 LEU 37 1HD1 LEU 37 3.530 0.850 14.683
296 1HD2 LEU 37 2HD2 LEU 37 6.463 1.773 13.236
297 2HD2 LEU 37 3HD2 LEU 37 5.355 2.025 11.866
298 3HD2 LEU 37 1HD2 LEU 37 4.833 2.429 13.518
299 H GLU 38 H GLU 38 8.595 -2.333 11.730
300 HA GLU 38 HA GLU 38 10.861 -0.639 11.703
301 HB GLU 38 2HB GLU 38 11.703 -1.485 13.982
302 HB GLU 38 QB GLU 38 11.703 -1.485 13.982
303 HG GLU 38 2HG GLU 38 9.212 0.236 14.250
304 HG GLU 38 QG GLU 38 9.212 0.236 14.250
305 HE1 GLU 38 HE GLU 38 12.760 0.015 15.436
306 H LYS 39 H LYS 39 11.024 -2.130 9.810
307 HA LYS 39 HA LYS 39 11.291 -4.912 10.242
308 HB LYS 39 2HB LYS 39 12.420 -3.463 7.861
309 HB LYS 39 QB LYS 39 12.420 -3.463 7.861
310 HG LYS 39 2HG LYS 39 10.652 -5.931 7.988
311 HG LYS 39 QG LYS 39 10.652 -5.931 7.988
312 HD LYS 39 2HD LYS 39 11.327 -4.613 5.808
313 HD LYS 39 QD LYS 39 11.327 -4.613 5.808
314 HE LYS 39 2HE LYS 39 13.925 -5.774 6.770
315 HE LYS 39 QE LYS 39 13.925 -5.774 6.770
316 1HZ LYS 39 1HZ LYS 39 14.545 -5.802 4.298
317 2HZ LYS 39 2HZ LYS 39 13.718 -7.093 4.847
318 H ASP 40 H ASP 40 13.623 -2.178 9.833
319 HA ASP 40 HA ASP 40 15.420 -3.067 11.616
320 HB ASP 40 2HB ASP 40 17.167 -3.838 9.635
321 HB ASP 40 QB ASP 40 17.167 -3.838 9.635
322 HD1 ASP 40 HD ASP 40 16.346 -5.570 12.681
323 H ASP 41 H ASP 41 16.580 -2.627 8.250
324 HA ASP 41 HA ASP 41 17.787 -0.176 8.967
325 HB ASP 41 2HB ASP 41 17.453 -1.207 6.128
326 HB ASP 41 QB ASP 41 17.453 -1.207 6.128
327 HD2 ASP 41 HD ASP 41 19.990 -0.341 4.965
328 H ILE 42 H ILE 42 17.204 0.659 5.934
329 HA ILE 42 HA ILE 42 14.512 1.726 6.411
330 HB ILE 42 HB ILE 42 17.050 3.134 5.920
331 HG1 ILE 42 2HG1 ILE 42 15.565 4.994 6.944
332 HG1 ILE 42 QG1 ILE 42 15.565 4.994 6.944
333 1HG2 ILE 42 3HG2 ILE 42 14.658 3.563 4.185
334 2HG2 ILE 42 1HG2 ILE 42 15.555 4.988 4.763
335 3HG2 ILE 42 2HG2 ILE 42 16.392 3.733 3.818
336 1HD1 ILE 42 1HD1 ILE 42 13.478 3.381 6.450
337 2HD1 ILE 42 2HD1 ILE 42 13.953 2.691 8.020
338 3HD1 ILE 42 3HD1 ILE 42 13.526 4.415 7.897
339 H ARG 43 H ARG 43 13.687 -0.056 5.152
340 HA ARG 43 HA ARG 43 14.683 -0.339 2.501
341 HB ARG 43 2HB ARG 43 12.309 -1.781 2.584
342 HB ARG 43 QB ARG 43 12.309 -1.781 2.584
343 HG ARG 43 2HG ARG 43 14.196 -3.020 1.977
344 HG ARG 43 QG ARG 43 14.196 -3.020 1.977
345 HD ARG 43 2HD ARG 43 15.496 -1.411 4.101
346 HD ARG 43 QD ARG 43 15.496 -1.411 4.101
347 HE ARG 43 HE ARG 43 16.501 -3.221 5.162
348 1HH1 ARG 43 2HH2 ARG 43 15.803 -4.170 1.820
349 2HH1 ARG 43 1HH2 ARG 43 16.500 -5.746 1.991
350 HH2 ARG 43 1HH ARG 43 17.445 -6.390 4.097
351 H HIS 44 H HIS 44 12.256 -0.841 1.052
352 HA HIS 44 HA HIS 44 10.888 1.739 1.200
353 HB HIS 44 2HB HIS 44 10.859 1.657 -1.355
354 HB HIS 44 QB HIS 44 10.859 1.657 -1.355
355 HD1 HIS 44 1HD HIS 44 11.771 3.703 0.748
356 HD2 HIS 44 2HD HIS 44 14.384 1.798 -1.924
357 HE1 HIS 44 1HE HIS 44 13.823 5.208 0.559
358 H ILE 45 H ILE 45 8.729 1.692 0.054
359 HA ILE 45 HA ILE 45 7.561 -0.966 0.428
360 HB ILE 45 HB ILE 45 5.686 0.009 1.202
361 HG1 ILE 45 2HG1 ILE 45 5.085 2.459 0.555
362 HG1 ILE 45 QG1 ILE 45 5.085 2.459 0.555
363 1HG2 ILE 45 2HG2 ILE 45 7.592 0.766 2.605
364 2HG2 ILE 45 3HG2 ILE 45 7.609 2.297 1.696
365 3HG2 ILE 45 1HG2 ILE 45 6.184 1.854 2.665
366 1HD1 ILE 45 3HD1 ILE 45 7.528 2.177 -0.857
367 2HD1 ILE 45 1HD1 ILE 45 6.245 2.052 -2.085
368 3HD1 ILE 45 2HD1 ILE 45 6.333 3.484 -1.031
369 H VAL 46 H VAL 46 5.847 -1.638 -1.121
370 HA VAL 46 HA VAL 46 5.740 -0.278 -3.635
371 HB VAL 46 HB VAL 46 7.572 -2.551 -3.192
372 1HG1 VAL 46 2HG1 VAL 46 5.764 -3.692 -4.406
373 2HG1 VAL 46 3HG1 VAL 46 5.822 -2.443 -5.674
374 3HG1 VAL 46 1HG1 VAL 46 7.218 -3.519 -5.420
375 1HG2 VAL 46 2HG2 VAL 46 8.011 -0.093 -4.008
376 2HG2 VAL 46 3HG2 VAL 46 8.915 -1.450 -4.722
377 3HG2 VAL 46 1HG2 VAL 46 7.534 -0.745 -5.595
378 H LEU 47 H LEU 47 3.496 -0.233 -3.114
379 HA LEU 47 HA LEU 47 2.175 -2.749 -2.629
380 HB LEU 47 2HB LEU 47 0.203 -0.900 -2.977
381 HB LEU 47 QB LEU 47 0.203 -0.900 -2.977
382 HG LEU 47 HG LEU 47 0.013 -1.946 -0.954
383 1HD1 LEU 47 1HD1 LEU 47 2.965 -1.736 -0.882
384 2HD1 LEU 47 2HD1 LEU 47 2.140 -1.738 0.695
385 3HD1 LEU 47 3HD1 LEU 47 1.890 -3.084 -0.441
386 1HD2 LEU 47 2HD2 LEU 47 1.098 0.813 -0.467
387 2HD2 LEU 47 3HD2 LEU 47 -0.572 0.209 -0.344
388 3HD2 LEU 47 1HD2 LEU 47 0.627 -0.229 0.897
389 H ASN 48 H ASN 48 0.443 -3.586 -4.005
390 HA ASN 48 HA ASN 48 -0.061 -2.550 -6.513
391 HB ASN 48 2HB ASN 48 1.982 -3.158 -7.475
392 HB ASN 48 QB ASN 48 1.982 -3.158 -7.475
393 1HD2 ASN 48 2HD2 ASN 48 4.538 -5.076 -6.077
394 2HD2 ASN 48 1HD2 ASN 48 3.972 -4.116 -7.403
395 H LEU 49 H LEU 49 -2.193 -3.299 -6.490
396 HA LEU 49 HA LEU 49 -2.653 -6.019 -5.521
397 HB LEU 49 2HB LEU 49 -5.085 -4.667 -5.989
398 HB LEU 49 QB LEU 49 -5.085 -4.667 -5.989
399 HG LEU 49 HG LEU 49 -3.653 -5.779 -3.689
400 1HD1 LEU 49 3HD1 LEU 49 -3.747 -3.483 -2.879
401 2HD1 LEU 49 1HD1 LEU 49 -5.494 -3.418 -3.215
402 3HD1 LEU 49 2HD1 LEU 49 -4.868 -4.523 -1.968
403 1HD2 LEU 49 3HD2 LEU 49 -5.685 -6.681 -4.966
404 2HD2 LEU 49 1HD2 LEU 49 -5.725 -6.748 -3.188
405 3HD2 LEU 49 2HD2 LEU 49 -6.633 -5.483 -4.051
406 H GLU 50 H GLU 50 -3.051 -7.635 -6.935
407 HA GLU 50 HA GLU 50 -3.480 -6.835 -9.685
408 HB GLU 50 2HB GLU 50 -3.182 -9.710 -9.266
409 HB GLU 50 QB GLU 50 -3.182 -9.710 -9.266
410 HG GLU 50 2HG GLU 50 -0.853 -8.600 -10.439
411 HG GLU 50 QG GLU 50 -0.853 -8.600 -10.439
412 HE2 GLU 50 HE GLU 50 -1.156 -10.837 -12.317
413 H ASP 51 H ASP 51 -5.093 -8.216 -6.900
414 HA ASP 51 HA ASP 51 -7.336 -8.882 -8.640
415 HB ASP 51 2HB ASP 51 -6.495 -10.109 -5.973
416 HB ASP 51 QB ASP 51 -6.495 -10.109 -5.973
417 HD2 ASP 51 HD ASP 51 -7.970 -12.579 -6.542
418 H LEU 52 H LEU 52 -7.488 -6.339 -8.152
419 HA LEU 52 HA LEU 52 -8.445 -5.746 -5.494
420 HB LEU 52 2HB LEU 52 -8.297 -3.943 -7.908
421 HB LEU 52 QB LEU 52 -8.297 -3.943 -7.908
422 HG LEU 52 HG LEU 52 -8.189 -2.114 -6.450
423 1HD1 LEU 52 2HD1 LEU 52 -10.455 -3.338 -6.689
424 2HD1 LEU 52 3HD1 LEU 52 -10.219 -3.779 -4.980
425 3HD1 LEU 52 1HD1 LEU 52 -10.289 -2.065 -5.456
426 1HD2 LEU 52 2HD2 LEU 52 -6.665 -3.447 -4.817
427 2HD2 LEU 52 3HD2 LEU 52 -7.661 -2.108 -4.198
428 3HD2 LEU 52 1HD2 LEU 52 -8.186 -3.792 -3.958
429 H SER 53 H SER 53 -10.416 -6.680 -5.081
430 HA SER 53 HA SER 53 -12.433 -6.337 -7.144
431 HB SER 53 2HB SER 53 -12.176 -8.217 -4.774
432 HB SER 53 QB SER 53 -12.176 -8.217 -4.774
433 HG SER 53 HG SER 53 -14.277 -8.900 -5.087
434 H PHE 54 H PHE 54 -12.975 -6.795 -3.621
435 HA PHE 54 HA PHE 54 -14.926 -4.812 -3.507
436 HB PHE 54 2HB PHE 54 -13.095 -6.113 -1.403
437 HB PHE 54 QB PHE 54 -13.095 -6.113 -1.403
438 HD1 PHE 54 2HD PHE 54 -16.695 -5.149 -1.572
439 HD2 PHE 54 1HD PHE 54 -13.016 -4.821 0.515
440 HE1 PHE 54 2HE PHE 54 -17.849 -3.879 0.260
441 HE2 PHE 54 1HE PHE 54 -14.169 -3.550 2.348
442 HZ PHE 54 HZ PHE 54 -16.571 -3.095 2.199
443 H MET 55 H MET 55 -11.991 -4.698 -1.410
444 HA MET 55 HA MET 55 -10.895 -2.976 -0.622
445 HB MET 55 2HB MET 55 -10.937 -2.331 -3.620
446 HB MET 55 QB MET 55 -10.937 -2.331 -3.620
447 HG MET 55 2HG MET 55 -10.287 -0.305 -2.285
448 HG MET 55 QG MET 55 -10.287 -0.305 -2.285
449 1HE MET 55 3HE MET 55 -10.708 -0.578 -0.033
450 2HE MET 55 1HE MET 55 -10.337 -2.237 0.495
451 3HE MET 55 2HE MET 55 -9.503 -0.854 1.247
452 H ASP 56 H ASP 56 -12.577 -1.987 0.650
453 HA ASP 56 HA ASP 56 -13.850 0.270 -0.672
454 HB ASP 56 2HB ASP 56 -14.625 -0.756 2.068
455 HB ASP 56 QB ASP 56 -14.625 -0.756 2.068
456 HD2 ASP 56 HD ASP 56 -16.659 -0.228 2.564
457 H SER 57 H SER 57 -14.525 1.156 2.268
458 HA SER 57 HA SER 57 -12.031 2.576 2.628
459 HB SER 57 2HB SER 57 -14.227 3.300 4.445
460 HB SER 57 QB SER 57 -14.227 3.300 4.445
461 HG SER 57 HG SER 57 -12.781 4.919 4.104
462 H SER 58 H SER 58 -13.117 -0.342 3.542
463 HA SER 58 HA SER 58 -13.082 -0.288 6.311
464 HB SER 58 2HB SER 58 -13.497 -2.509 6.080
465 HB SER 58 QB SER 58 -13.497 -2.509 6.080
466 HG SER 58 HG SER 58 -14.593 -1.919 4.179
467 H GLY 59 H GLY 59 -10.493 -1.191 3.915
468 1HA GLY 59 1HA GLY 59 -8.489 -1.223 6.021
469 2HA GLY 59 2HA GLY 59 -8.278 -1.634 4.330
470 H LEU 60 H LEU 60 -10.058 1.216 4.342
471 HA LEU 60 HA LEU 60 -8.091 2.755 3.216
472 HB LEU 60 2HB LEU 60 -10.003 4.367 4.660
473 HB LEU 60 QB LEU 60 -10.003 4.367 4.660
474 HG LEU 60 HG LEU 60 -10.968 4.606 2.272
475 1HD1 LEU 60 1HD1 LEU 60 -9.559 6.267 3.482
476 2HD1 LEU 60 2HD1 LEU 60 -8.120 5.517 2.749
477 3HD1 LEU 60 3HD1 LEU 60 -9.348 6.285 1.715
478 1HD2 LEU 60 1HD2 LEU 60 -9.600 2.450 1.617
479 2HD2 LEU 60 2HD2 LEU 60 -9.850 3.775 0.454
480 3HD2 LEU 60 3HD2 LEU 60 -8.303 3.633 1.325
481 H GLY 61 H GLY 61 -9.057 2.450 6.675
482 1HA GLY 61 1HA GLY 61 -7.153 4.434 7.533
483 2HA GLY 61 2HA GLY 61 -8.154 3.400 8.533
484 H VAL 62 H VAL 62 -7.349 0.848 7.286
485 HA VAL 62 HA VAL 62 -5.089 0.327 8.866
486 HB VAL 62 HB VAL 62 -7.082 -1.105 7.611
487 1HG1 VAL 62 2HG1 VAL 62 -5.679 -1.071 5.521
488 2HG1 VAL 62 3HG1 VAL 62 -4.454 -2.018 6.401
489 3HG1 VAL 62 1HG1 VAL 62 -6.077 -2.698 6.126
490 1HG2 VAL 62 2HG2 VAL 62 -6.020 -1.644 9.753
491 2HG2 VAL 62 3HG2 VAL 62 -6.050 -3.067 8.683
492 3HG2 VAL 62 1HG2 VAL 62 -4.540 -2.151 8.904
493 H ILE 63 H ILE 63 -5.512 1.620 5.648
494 HA ILE 63 HA ILE 63 -2.769 0.937 4.935
495 HB ILE 63 HB ILE 63 -5.214 1.785 3.478
496 HG1 ILE 63 2HG1 ILE 63 -3.494 -0.500 3.636
497 HG1 ILE 63 QG1 ILE 63 -3.494 -0.500 3.636
498 1HG2 ILE 63 2HG2 ILE 63 -2.410 2.535 2.646
499 2HG2 ILE 63 3HG2 ILE 63 -3.730 2.311 1.472
500 3HG2 ILE 63 1HG2 ILE 63 -3.863 3.560 2.733
501 1HD1 ILE 63 3HD1 ILE 63 -6.124 0.311 2.448
502 2HD1 ILE 63 1HD1 ILE 63 -5.353 -1.144 1.770
503 3HD1 ILE 63 2HD1 ILE 63 -5.731 -1.064 3.508
504 H LEU 64 H LEU 64 -4.908 3.685 5.779
505 HA LEU 64 HA LEU 64 -3.003 5.677 5.181
506 HB LEU 64 2HB LEU 64 -4.975 6.273 7.269
507 HB LEU 64 QB LEU 64 -4.975 6.273 7.269
508 HG LEU 64 HG LEU 64 -3.756 7.697 5.200
509 1HD1 LEU 64 3HD1 LEU 64 -6.653 7.140 4.531
510 2HD1 LEU 64 1HD1 LEU 64 -5.753 8.548 3.916
511 3HD1 LEU 64 2HD1 LEU 64 -5.217 6.901 3.507
512 1HD2 LEU 64 1HD2 LEU 64 -5.797 8.195 7.294
513 2HD2 LEU 64 2HD2 LEU 64 -4.248 9.010 6.972
514 3HD2 LEU 64 3HD2 LEU 64 -5.680 9.403 5.991
515 H GLY 65 H GLY 65 -3.932 3.926 8.208
516 1HA GLY 65 1HA GLY 65 -2.117 5.310 9.878
517 2HA GLY 65 2HA GLY 65 -2.904 3.779 10.205
518 H ARG 66 H ARG 66 -1.649 2.955 7.366
519 HA ARG 66 HA ARG 66 0.763 1.986 8.621
520 HB ARG 66 2HB ARG 66 0.321 0.994 5.906
521 HB ARG 66 QB ARG 66 0.321 0.994 5.906
522 HG ARG 66 2HG ARG 66 -0.270 -0.692 8.309
523 HG ARG 66 QG ARG 66 -0.270 -0.692 8.309
524 HD ARG 66 2HD ARG 66 0.027 -1.756 6.117
525 HD ARG 66 QD ARG 66 0.027 -1.756 6.117
526 HE ARG 66 HE ARG 66 2.753 -0.511 5.961
527 1HH1 ARG 66 2HH2 ARG 66 -0.342 -1.352 4.453
528 2HH1 ARG 66 1HH2 ARG 66 0.141 -0.822 2.876
529 HH2 ARG 66 1HH ARG 66 2.339 0.081 2.563
530 H TYR 67 H TYR 67 -0.444 3.882 5.816
531 HA TYR 67 HA TYR 67 1.754 4.110 4.258
532 HB TYR 67 2HB TYR 67 0.206 6.585 5.124
533 HB TYR 67 QB TYR 67 0.206 6.585 5.124
534 HD1 TYR 67 2HD TYR 67 -0.316 4.474 2.118
535 HD2 TYR 67 1HD TYR 67 1.495 8.013 3.698
536 HE1 TYR 67 2HE TYR 67 0.193 5.276 -0.241
537 HE2 TYR 67 1HE TYR 67 1.998 8.803 1.335
538 HH TYR 67 HH TYR 67 2.373 7.558 -0.935
539 H LYS 68 H LYS 68 1.023 6.053 7.234
540 HA LYS 68 HA LYS 68 3.514 7.442 7.028
541 HB LYS 68 2HB LYS 68 2.686 8.798 8.649
542 HB LYS 68 QB LYS 68 2.686 8.798 8.649
543 HG LYS 68 2HG LYS 68 0.008 7.458 8.377
544 HG LYS 68 QG LYS 68 0.008 7.458 8.377
545 HD LYS 68 2HD LYS 68 -0.681 9.788 7.853
546 HD LYS 68 QD LYS 68 -0.681 9.788 7.853
547 HE LYS 68 2HE LYS 68 1.107 10.347 10.155
548 HE LYS 68 QE LYS 68 1.107 10.347 10.155
549 1HZ LYS 68 1HZ LYS 68 -0.772 11.551 10.412
550 2HZ LYS 68 2HZ LYS 68 -1.654 10.632 9.395
551 H GLN 69 H GLN 69 2.199 4.605 8.766
552 HA GLN 69 HA GLN 69 4.425 4.383 10.473
553 HB GLN 69 2HB GLN 69 3.144 1.833 10.112
554 HB GLN 69 QB GLN 69 3.144 1.833 10.112
555 HG GLN 69 2HG GLN 69 3.886 3.556 12.196
556 HG GLN 69 QG GLN 69 3.886 3.556 12.196
557 1HE2 GLN 69 2HE2 GLN 69 -0.095 3.234 13.168
558 2HE2 GLN 69 1HE2 GLN 69 0.868 1.884 12.665
559 H ILE 70 H ILE 70 3.794 3.565 7.136
560 HA ILE 70 HA ILE 70 6.009 1.664 7.103
561 HB ILE 70 HB ILE 70 3.718 1.248 6.038
562 HG1 ILE 70 2HG1 ILE 70 5.011 0.330 3.895
563 HG1 ILE 70 QG1 ILE 70 5.011 0.330 3.895
564 1HG2 ILE 70 2HG2 ILE 70 3.473 3.425 4.943
565 2HG2 ILE 70 3HG2 ILE 70 4.888 3.076 3.922
566 3HG2 ILE 70 1HG2 ILE 70 3.415 2.090 3.766
567 1HD1 ILE 70 3HD1 ILE 70 7.045 1.739 4.374
568 2HD1 ILE 70 1HD1 ILE 70 7.228 0.877 5.920
569 3HD1 ILE 70 2HD1 ILE 70 7.385 -0.008 4.382
570 H LYS 71 H LYS 71 4.917 4.838 5.803
571 HA LYS 71 HA LYS 71 7.184 5.236 4.187
572 HB LYS 71 2HB LYS 71 4.794 6.421 4.356
573 HB LYS 71 QB LYS 71 4.794 6.421 4.356
574 HG LYS 71 2HG LYS 71 6.128 7.572 6.553
575 HG LYS 71 QG LYS 71 6.128 7.572 6.553
576 HD LYS 71 2HD LYS 71 6.483 9.907 5.929
577 HD LYS 71 QD LYS 71 6.483 9.907 5.929
578 HE LYS 71 2HE LYS 71 8.243 9.473 3.943
579 HE LYS 71 QE LYS 71 8.243 9.473 3.943
580 1HZ LYS 71 1HZ LYS 71 9.481 9.676 5.793
581 2HZ LYS 71 2HZ LYS 71 8.302 9.110 6.762
582 H GLN 72 H GLN 72 6.472 5.757 7.642
583 HA GLN 72 HA GLN 72 8.564 7.474 8.178
584 HB GLN 72 2HB GLN 72 6.771 5.676 9.727
585 HB GLN 72 QB GLN 72 6.771 5.676 9.727
586 HG GLN 72 2HG GLN 72 9.599 6.051 10.482
587 HG GLN 72 QG GLN 72 9.599 6.051 10.482
588 1HE2 GLN 72 2HE2 GLN 72 9.370 7.275 13.838
589 2HE2 GLN 72 1HE2 GLN 72 10.107 6.058 12.850
590 H ILE 73 H ILE 73 8.396 3.890 7.963
591 HA ILE 73 HA ILE 73 11.325 3.871 8.205
592 HB ILE 73 HB ILE 73 9.679 1.495 8.951
593 HG1 ILE 73 2HG1 ILE 73 9.864 4.048 10.497
594 HG1 ILE 73 QG1 ILE 73 9.864 4.048 10.497
595 1HG2 ILE 73 1HG2 ILE 73 12.351 2.598 9.862
596 2HG2 ILE 73 2HG2 ILE 73 11.585 1.116 10.482
597 3HG2 ILE 73 3HG2 ILE 73 12.074 1.217 8.774
598 1HD1 ILE 73 3HD1 ILE 73 7.855 1.886 9.876
599 2HD1 ILE 73 1HD1 ILE 73 7.675 2.812 11.386
600 3HD1 ILE 73 2HD1 ILE 73 7.666 3.656 9.818
601 H GLY 74 H GLY 74 9.489 4.254 5.847
602 1HA GLY 74 1HA GLY 74 10.413 1.901 4.314
603 2HA GLY 74 2HA GLY 74 8.798 2.554 4.125
604 H GLY 75 H GLY 75 10.793 5.167 4.886
605 1HA GLY 75 1HA GLY 75 11.825 6.778 3.693
606 2HA GLY 75 2HA GLY 75 12.083 5.629 2.396
607 H GLU 76 H GLU 76 9.785 4.929 1.306
608 HA GLU 76 HA GLU 76 8.146 7.306 1.075
609 HB GLU 76 2HB GLU 76 8.251 7.332 -1.346
610 HB GLU 76 QB GLU 76 8.251 7.332 -1.346
611 HG GLU 76 2HG GLU 76 10.849 7.469 -1.680
612 HG GLU 76 QG GLU 76 10.849 7.469 -1.680
613 HE1 GLU 76 HE GLU 76 9.017 9.073 -2.030
614 H MET 77 H MET 77 5.962 6.869 0.339
615 HA MET 77 HA MET 77 5.333 4.031 0.552
616 HB MET 77 2HB MET 77 3.285 6.258 0.827
617 HB MET 77 QB MET 77 3.285 6.258 0.827
618 HG MET 77 2HG MET 77 2.323 4.711 2.507
619 HG MET 77 QG MET 77 2.323 4.711 2.507
620 1HE MET 77 3HE MET 77 0.951 2.906 2.307
621 2HE MET 77 1HE MET 77 0.179 2.458 0.767
622 3HE MET 77 2HE MET 77 1.531 1.490 1.399
623 H VAL 78 H VAL 78 4.510 2.988 -1.219
624 HA VAL 78 HA VAL 78 3.443 4.699 -3.359
625 HB VAL 78 HB VAL 78 5.735 3.197 -3.440
626 1HG1 VAL 78 2HG1 VAL 78 3.484 1.549 -4.636
627 2HG1 VAL 78 3HG1 VAL 78 5.209 1.305 -4.998
628 3HG1 VAL 78 1HG1 VAL 78 4.606 1.072 -3.340
629 1HG2 VAL 78 2HG2 VAL 78 4.689 5.006 -5.006
630 2HG2 VAL 78 3HG2 VAL 78 5.852 3.833 -5.672
631 3HG2 VAL 78 1HG2 VAL 78 4.106 3.606 -5.938
632 H VAL 79 H VAL 79 1.828 3.547 -4.780
633 HA VAL 79 HA VAL 79 0.646 1.152 -3.909
634 HB VAL 79 HB VAL 79 -0.005 2.624 -2.022
635 1HG1 VAL 79 2HG1 VAL 79 -1.512 4.151 -4.171
636 2HG1 VAL 79 3HG1 VAL 79 -1.746 4.355 -2.418
637 3HG1 VAL 79 1HG1 VAL 79 -0.179 4.759 -3.160
638 1HG2 VAL 79 1HG2 VAL 79 -2.052 1.369 -3.838
639 2HG2 VAL 79 2HG2 VAL 79 -1.438 0.813 -2.261
640 3HG2 VAL 79 3HG2 VAL 79 -2.564 2.188 -2.343
641 H CYS 80 H CYS 80 -0.085 0.326 -5.793
642 HA CYS 80 HA CYS 80 -1.195 2.245 -7.710
643 HB CYS 80 2HB CYS 80 1.042 1.439 -8.424
644 HB CYS 80 QB CYS 80 1.042 1.439 -8.424
645 HG CYS 80 HG CYS 80 0.843 -0.881 -7.031
646 H ALA 81 H ALA 81 -2.116 0.261 -9.566
647 HA ALA 81 HA ALA 81 -3.699 -1.255 -9.925
648 1HB ALA 81 2HB ALA 81 -2.544 -2.655 -8.229
649 2HB ALA 81 3HB ALA 81 -3.508 -1.877 -6.950
650 3HB ALA 81 1HB ALA 81 -4.310 -2.876 -8.185
651 H ILE 82 H ILE 82 -4.212 1.534 -9.437
652 HA ILE 82 HA ILE 82 -6.305 1.955 -7.648
653 HB ILE 82 HB ILE 82 -4.832 3.637 -8.816
654 HG1 ILE 82 2HG1 ILE 82 -7.785 4.275 -8.966
655 HG1 ILE 82 QG1 ILE 82 -7.785 4.275 -8.966
656 1HG2 ILE 82 3HG2 ILE 82 -6.744 3.041 -11.080
657 2HG2 ILE 82 1HG2 ILE 82 -5.818 4.556 -10.958
658 3HG2 ILE 82 2HG2 ILE 82 -4.964 3.001 -11.091
659 1HD1 ILE 82 3HD1 ILE 82 -6.020 3.595 -6.640
660 2HD1 ILE 82 1HD1 ILE 82 -7.074 5.018 -6.463
661 3HD1 ILE 82 2HD1 ILE 82 -7.783 3.424 -6.818
662 H SER 83 H SER 83 -8.595 2.698 -8.506
663 HA SER 83 HA SER 83 -9.486 1.077 -10.693
664 HB SER 83 2HB SER 83 -11.342 0.555 -8.551
665 HB SER 83 QB SER 83 -11.342 0.555 -8.551
666 HG SER 83 HG SER 83 -11.325 -1.260 -9.668
667 HA PRO 84 HA PRO 84 -12.296 4.393 -10.908
668 HB PRO 84 2HB PRO 84 -12.810 3.930 -13.105
669 HB PRO 84 QB PRO 84 -12.810 3.930 -13.105
670 HG PRO 84 2HG PRO 84 -12.425 1.748 -13.746
671 HG PRO 84 QG PRO 84 -12.425 1.748 -13.746
672 HD PRO 84 2HD PRO 84 -10.831 1.146 -12.203
673 HD PRO 84 QD PRO 84 -10.831 1.146 -12.203
674 H ALA 85 H ALA 85 -13.043 1.602 -9.239
675 HA ALA 85 HA ALA 85 -15.282 3.031 -7.982
676 1HB ALA 85 2HB ALA 85 -15.048 0.145 -8.872
677 2HB ALA 85 3HB ALA 85 -16.161 0.623 -7.568
678 3HB ALA 85 1HB ALA 85 -16.352 1.313 -9.198
679 H VAL 86 H VAL 86 -12.441 3.143 -7.314
680 HA VAL 86 HA VAL 86 -12.678 2.172 -4.600
681 HB VAL 86 HB VAL 86 -10.969 0.947 -6.642
682 1HG1 VAL 86 2HG1 VAL 86 -9.767 1.979 -4.065
683 2HG1 VAL 86 3HG1 VAL 86 -9.108 0.562 -4.919
684 3HG1 VAL 86 1HG1 VAL 86 -9.155 2.146 -5.729
685 1HG2 VAL 86 1HG2 VAL 86 -12.585 0.198 -4.395
686 2HG2 VAL 86 2HG2 VAL 86 -11.851 -0.839 -5.641
687 3HG2 VAL 86 3HG2 VAL 86 -10.944 -0.450 -4.160
688 H LYS 87 H LYS 87 -11.003 4.003 -7.177
689 HA LYS 87 HA LYS 87 -9.366 5.455 -5.364
690 HB LYS 87 2HB LYS 87 -9.271 4.975 -8.022
691 HB LYS 87 QB LYS 87 -9.271 4.975 -8.022
692 HG LYS 87 2HG LYS 87 -10.033 7.913 -7.840
693 HG LYS 87 QG LYS 87 -10.033 7.913 -7.840
694 HD LYS 87 2HD LYS 87 -10.321 6.253 -10.316
695 HD LYS 87 QD LYS 87 -10.321 6.253 -10.316
696 HE LYS 87 2HE LYS 87 -10.661 8.833 -10.000
697 HE LYS 87 QE LYS 87 -10.661 8.833 -10.000
698 1HZ LYS 87 1HZ LYS 87 -7.856 9.157 -10.609
699 2HZ LYS 87 2HZ LYS 87 -8.813 10.076 -9.665
700 H ARG 88 H ARG 88 -12.713 5.465 -6.047
701 HA ARG 88 HA ARG 88 -13.138 8.230 -5.866
702 HB ARG 88 2HB ARG 88 -14.722 6.380 -6.789
703 HB ARG 88 QB ARG 88 -14.722 6.380 -6.789
704 HG ARG 88 2HG ARG 88 -16.422 5.658 -5.015
705 HG ARG 88 QG ARG 88 -16.422 5.658 -5.015
706 HD ARG 88 2HD ARG 88 -13.735 4.502 -4.261
707 HD ARG 88 QD ARG 88 -13.735 4.502 -4.261
708 HE ARG 88 HE ARG 88 -15.284 2.876 -3.648
709 1HH1 ARG 88 2HH2 ARG 88 -16.414 4.389 -6.646
710 2HH1 ARG 88 1HH2 ARG 88 -17.787 3.344 -6.801
711 HH2 ARG 88 1HH ARG 88 -18.167 1.652 -5.148
712 H LEU 89 H LEU 89 -12.441 5.693 -3.566
713 HA LEU 89 HA LEU 89 -13.757 6.813 -1.329
714 HB LEU 89 2HB LEU 89 -11.849 5.316 -0.214
715 HB LEU 89 QB LEU 89 -11.849 5.316 -0.214
716 HG LEU 89 HG LEU 89 -14.269 4.272 -1.699
717 1HD1 LEU 89 1HD1 LEU 89 -12.299 2.778 0.039
718 2HD1 LEU 89 2HD1 LEU 89 -13.956 2.207 -0.271
719 3HD1 LEU 89 3HD1 LEU 89 -12.815 2.406 -1.622
720 1HD2 LEU 89 2HD2 LEU 89 -13.709 5.095 1.140
721 2HD2 LEU 89 3HD2 LEU 89 -15.038 5.579 0.061
722 3HD2 LEU 89 1HD2 LEU 89 -15.009 3.942 0.758
723 H PHE 90 H PHE 90 -10.415 7.040 -2.678
724 HA PHE 90 HA PHE 90 -9.650 8.852 -0.579
725 HB PHE 90 2HB PHE 90 -7.485 8.734 -1.775
726 HB PHE 90 QB PHE 90 -7.485 8.734 -1.775
727 HD1 PHE 90 2HD PHE 90 -9.042 5.829 -3.385
728 HD2 PHE 90 1HD PHE 90 -6.988 7.237 0.051
729 HE1 PHE 90 2HE PHE 90 -8.619 3.461 -2.668
730 HE2 PHE 90 1HE PHE 90 -6.565 4.869 0.768
731 HZ PHE 90 HZ PHE 90 -7.385 3.009 -0.600
732 H ASP 91 H ASP 91 -11.147 9.021 -3.724
733 HA ASP 91 HA ASP 91 -10.145 11.549 -4.427
734 HB ASP 91 2HB ASP 91 -12.819 10.960 -5.479
735 HB ASP 91 QB ASP 91 -12.819 10.960 -5.479
736 HD1 ASP 91 HD ASP 91 -9.270 11.224 -7.000
737 H MET 92 H MET 92 -12.948 10.260 -2.594
738 HA MET 92 HA MET 92 -14.121 12.876 -2.394
739 HB MET 92 2HB MET 92 -14.897 10.207 -1.092
740 HB MET 92 QB MET 92 -14.897 10.207 -1.092
741 HG MET 92 2HG MET 92 -16.764 12.513 -1.735
742 HG MET 92 QG MET 92 -16.764 12.513 -1.735
743 1HE MET 92 1HE MET 92 -18.831 12.316 -1.424
744 2HE MET 92 2HE MET 92 -19.096 10.659 -2.017
745 3HE MET 92 3HE MET 92 -19.788 11.168 -0.458
746 H SER 93 H SER 93 -12.096 10.648 -0.524
747 HA SER 93 HA SER 93 -12.600 11.776 1.977
748 HB SER 93 2HB SER 93 -10.202 10.234 0.899
749 HB SER 93 QB SER 93 -10.202 10.234 0.899
750 HG SER 93 HG SER 93 -10.767 10.124 3.641
751 H GLY 94 H GLY 94 -10.359 12.537 -0.707
752 1HA GLY 94 1HA GLY 94 -9.272 14.480 -1.141
753 2HA GLY 94 2HA GLY 94 -9.896 15.167 0.345
754 H LEU 95 H LEU 95 -8.629 12.182 1.215
755 HA LEU 95 HA LEU 95 -6.137 13.462 2.051
756 HB LEU 95 2HB LEU 95 -7.168 10.848 3.093
757 HB LEU 95 QB LEU 95 -7.168 10.848 3.093
758 HG LEU 95 HG LEU 95 -5.166 11.268 4.166
759 1HD1 LEU 95 3HD1 LEU 95 -5.853 14.213 4.066
760 2HD1 LEU 95 1HD1 LEU 95 -4.468 13.546 4.963
761 3HD1 LEU 95 2HD1 LEU 95 -4.558 13.357 3.195
762 1HD2 LEU 95 2HD2 LEU 95 -7.319 11.246 5.681
763 2HD2 LEU 95 3HD2 LEU 95 -5.707 11.537 6.376
764 3HD2 LEU 95 1HD2 LEU 95 -6.802 12.906 6.062
765 H PHE 96 H PHE 96 -7.074 12.037 -0.643
766 HA PHE 96 HA PHE 96 -5.726 9.708 -1.008
767 HB PHE 96 2HB PHE 96 -5.406 11.760 -3.163
768 HB PHE 96 QB PHE 96 -5.406 11.760 -3.163
769 HD1 PHE 96 2HD PHE 96 -5.071 8.639 -2.520
770 HD2 PHE 96 1HD PHE 96 -7.860 10.975 -4.706
771 HE1 PHE 96 2HE PHE 96 -5.587 6.661 -3.975
772 HE2 PHE 96 1HE PHE 96 -8.376 8.996 -6.161
773 HZ PHE 96 HZ PHE 96 -7.234 6.862 -5.778
774 H LYS 97 H LYS 97 -4.412 13.028 -0.811
775 HA LYS 97 HA LYS 97 -1.888 12.447 -1.881
776 HB LYS 97 2HB LYS 97 -1.222 14.569 -0.892
777 HB LYS 97 QB LYS 97 -1.222 14.569 -0.892
778 HG LYS 97 2HG LYS 97 -3.502 15.859 -1.577
779 HG LYS 97 QG LYS 97 -3.502 15.859 -1.577
780 HD LYS 97 2HD LYS 97 -1.789 14.289 -3.562
781 HD LYS 97 QD LYS 97 -1.789 14.289 -3.562
782 HE LYS 97 2HE LYS 97 -4.031 15.720 -4.161
783 HE LYS 97 QE LYS 97 -4.031 15.720 -4.161
784 1HZ LYS 97 1HZ LYS 97 -3.651 17.915 -4.037
785 2HZ LYS 97 2HZ LYS 97 -2.204 17.664 -3.332
786 H ILE 98 H ILE 98 -3.433 11.610 1.134
787 HA ILE 98 HA ILE 98 -0.964 11.277 2.561
788 HB ILE 98 HB ILE 98 -3.606 11.639 3.246
789 HG1 ILE 98 2HG1 ILE 98 -2.315 12.443 4.887
790 HG1 ILE 98 QG1 ILE 98 -2.315 12.443 4.887
791 1HG2 ILE 98 2HG2 ILE 98 -2.827 8.777 3.862
792 2HG2 ILE 98 3HG2 ILE 98 -4.177 9.653 4.624
793 3HG2 ILE 98 1HG2 ILE 98 -4.197 9.335 2.872
794 1HD1 ILE 98 1HD1 ILE 98 -2.302 9.522 5.778
795 2HD1 ILE 98 2HD1 ILE 98 -1.924 10.917 6.817
796 3HD1 ILE 98 3HD1 ILE 98 -3.564 10.720 6.153
797 H ILE 99 H ILE 99 -2.799 9.521 0.208
798 HA ILE 99 HA ILE 99 -1.396 7.058 0.977
799 HB ILE 99 HB ILE 99 -4.004 7.516 -0.459
800 HG1 ILE 99 2HG1 ILE 99 -4.822 5.976 1.368
801 HG1 ILE 99 QG1 ILE 99 -4.822 5.976 1.368
802 1HG2 ILE 99 2HG2 ILE 99 -2.322 5.012 -0.294
803 2HG2 ILE 99 3HG2 ILE 99 -4.075 4.985 -0.605
804 3HG2 ILE 99 1HG2 ILE 99 -2.982 5.814 -1.740
805 1HD1 ILE 99 1HD1 ILE 99 -2.323 5.305 1.909
806 2HD1 ILE 99 2HD1 ILE 99 -2.331 6.801 2.873
807 3HD1 ILE 99 3HD1 ILE 99 -3.488 5.498 3.241
808 H ARG 100 H ARG 100 -1.484 9.708 -1.187
809 HA ARG 100 HA ARG 100 -0.831 9.967 -3.286
810 HB ARG 100 2HB ARG 100 1.729 8.535 -2.838
811 HB ARG 100 QB ARG 100 1.729 8.535 -2.838
812 HG ARG 100 2HG ARG 100 2.179 11.272 -2.667
813 HG ARG 100 QG ARG 100 2.179 11.272 -2.667
814 HD ARG 100 2HD ARG 100 2.608 9.160 -4.535
815 HD ARG 100 QD ARG 100 2.608 9.160 -4.535
816 HE ARG 100 HE ARG 100 1.317 9.890 -6.338
817 1HH1 ARG 100 2HH2 ARG 100 2.608 12.732 -4.661
818 2HH1 ARG 100 1HH2 ARG 100 2.015 13.853 -5.841
819 HH2 ARG 100 1HH ARG 100 0.799 13.028 -7.735
820 H PHE 101 H PHE 101 -2.271 8.516 -4.468
821 HA PHE 101 HA PHE 101 -1.125 5.896 -5.079
822 HB PHE 101 2HB PHE 101 -3.822 6.847 -6.060
823 HB PHE 101 QB PHE 101 -3.822 6.847 -6.060
824 HD1 PHE 101 2HD PHE 101 -3.362 4.781 -7.463
825 HD2 PHE 101 1HD PHE 101 -3.792 4.634 -3.244
826 HE1 PHE 101 2HE PHE 101 -3.820 2.316 -7.595
827 HE2 PHE 101 1HE PHE 101 -4.251 2.170 -3.376
828 HZ PHE 101 HZ PHE 101 -4.261 1.040 -5.550
829 H GLU 102 H GLU 102 -1.605 5.139 -7.435
830 HA GLU 102 HA GLU 102 -1.350 7.385 -9.257
831 HB GLU 102 2HB GLU 102 0.348 5.066 -9.973
832 HB GLU 102 QB GLU 102 0.348 5.066 -9.973
833 HG GLU 102 2HG GLU 102 1.862 7.436 -9.791
834 HG GLU 102 QG GLU 102 1.862 7.436 -9.791
835 HE2 GLU 102 HE GLU 102 1.116 8.390 -12.455
836 H GLN 103 H GLN 103 -0.688 5.315 -11.433
837 HA GLN 103 HA GLN 103 -3.120 3.767 -11.434
838 HB GLN 103 2HB GLN 103 -3.918 4.620 -13.558
839 HB GLN 103 QB GLN 103 -3.918 4.620 -13.558
840 HG GLN 103 2HG GLN 103 -3.124 6.839 -11.621
841 HG GLN 103 QG GLN 103 -3.124 6.839 -11.621
842 1HE2 GLN 103 2HE2 GLN 103 -3.694 8.968 -14.387
843 2HE2 GLN 103 1HE2 GLN 103 -2.498 8.172 -13.418
844 H SER 104 H SER 104 -1.688 1.941 -11.281
845 HA SER 104 HA SER 104 -0.293 0.415 -11.968
846 HB SER 104 2HB SER 104 -1.528 1.195 -14.642
847 HB SER 104 QB SER 104 -1.528 1.195 -14.642
848 HG SER 104 HG SER 104 0.404 -0.760 -13.992
849 H GLU 105 H GLU 105 -0.135 2.936 -14.601
850 HA GLU 105 HA GLU 105 2.276 2.632 -15.536
851 HB GLU 105 2HB GLU 105 1.187 5.331 -14.620
852 HB GLU 105 QB GLU 105 1.187 5.331 -14.620
853 HG GLU 105 2HG GLU 105 3.605 4.609 -16.008
854 HG GLU 105 QG GLU 105 3.605 4.609 -16.008
855 HE2 GLU 105 HE GLU 105 3.276 7.143 -17.732
856 H GLN 106 H GLN 106 1.536 3.699 -12.226
857 HA GLN 106 HA GLN 106 4.057 4.686 -11.608
858 HB GLN 106 2HB GLN 106 1.715 3.646 -10.009
859 HB GLN 106 QB GLN 106 1.715 3.646 -10.009
860 HG GLN 106 2HG GLN 106 4.535 4.078 -9.053
861 HG GLN 106 QG GLN 106 4.535 4.078 -9.053
862 1HE2 GLN 106 2HE2 GLN 106 1.866 5.064 -6.098
863 2HE2 GLN 106 1HE2 GLN 106 1.785 3.587 -6.999
864 H GLN 107 H GLN 107 3.120 1.550 -12.476
865 HA GLN 107 HA GLN 107 4.162 -0.217 -10.852
866 HB GLN 107 2HB GLN 107 3.363 -0.385 -13.367
867 HB GLN 107 QB GLN 107 3.363 -0.385 -13.367
868 HG GLN 107 2HG GLN 107 5.690 0.741 -14.012
869 HG GLN 107 QG GLN 107 5.690 0.741 -14.012
870 1HE2 GLN 107 2HE2 GLN 107 8.657 -1.099 -14.107
871 2HE2 GLN 107 1HE2 GLN 107 7.774 0.298 -14.626
872 H ALA 108 H ALA 108 6.012 2.256 -12.610
873 HA ALA 108 HA ALA 108 8.541 1.054 -11.894
874 1HB ALA 108 2HB ALA 108 7.797 2.477 -14.030
875 2HB ALA 108 3HB ALA 108 8.277 3.837 -12.985
876 3HB ALA 108 1HB ALA 108 9.454 2.562 -13.384
877 H LEU 109 H LEU 109 6.585 3.995 -11.081
878 HA LEU 109 HA LEU 109 8.411 4.970 -9.190
879 HB LEU 109 2HB LEU 109 5.711 5.720 -8.583
880 HB LEU 109 QB LEU 109 5.711 5.720 -8.583
881 HG LEU 109 HG LEU 109 8.147 7.064 -9.652
882 1HD1 LEU 109 3HD1 LEU 109 6.079 7.639 -11.128
883 2HD1 LEU 109 1HD1 LEU 109 5.564 8.593 -9.717
884 3HD1 LEU 109 2HD1 LEU 109 7.117 8.946 -10.510
885 1HD2 LEU 109 3HD2 LEU 109 7.676 6.926 -7.235
886 2HD2 LEU 109 1HD2 LEU 109 7.734 8.604 -7.826
887 3HD2 LEU 109 2HD2 LEU 109 6.166 7.832 -7.491
888 H LEU 110 H LEU 110 6.152 2.309 -9.160
889 HA LEU 110 HA LEU 110 5.385 2.153 -6.555
890 HB LEU 110 2HB LEU 110 5.688 -0.409 -7.008
891 HB LEU 110 QB LEU 110 5.688 -0.409 -7.008
892 HG LEU 110 HG LEU 110 3.883 1.228 -8.811
893 1HD1 LEU 110 2HD1 LEU 110 4.414 -1.409 -9.087
894 2HD1 LEU 110 3HD1 LEU 110 3.076 -1.474 -7.915
895 3HD1 LEU 110 1HD1 LEU 110 2.849 -0.658 -9.480
896 1HD2 LEU 110 1HD2 LEU 110 3.526 0.226 -5.983
897 2HD2 LEU 110 2HD2 LEU 110 3.379 1.887 -6.602
898 3HD2 LEU 110 3HD2 LEU 110 2.158 0.666 -7.033
899 H THR 111 H THR 111 8.551 1.188 -8.003
900 HA THR 111 HA THR 111 9.644 0.104 -5.675
901 HB THR 111 HB THR 111 10.539 1.095 -8.349
902 HG1 THR 111 1HG THR 111 11.693 -1.034 -7.963
903 1HG2 THR 111 3HG2 THR 111 12.429 0.821 -5.954
904 2HG2 THR 111 1HG2 THR 111 12.962 0.741 -7.650
905 3HG2 THR 111 2HG2 THR 111 12.253 2.243 -7.010
906 H LEU 112 H LEU 112 8.403 3.151 -5.982
907 HA LEU 112 HA LEU 112 8.479 4.641 -4.232
908 HB LEU 112 2HB LEU 112 10.378 2.949 -3.298
909 HB LEU 112 QB LEU 112 10.378 2.949 -3.298
910 HG LEU 112 HG LEU 112 11.914 5.039 -4.494
911 1HD1 LEU 112 1HD1 LEU 112 11.296 5.541 -1.692
912 2HD1 LEU 112 2HD1 LEU 112 13.043 5.352 -1.979
913 3HD1 LEU 112 3HD1 LEU 112 12.117 6.569 -2.890
914 1HD2 LEU 112 3HD2 LEU 112 12.353 2.543 -2.946
915 2HD2 LEU 112 1HD2 LEU 112 13.010 3.061 -4.518
916 3HD2 LEU 112 2HD2 LEU 112 13.706 3.699 -3.009
917 H GLY 113 H GLY 113 9.361 4.478 -7.217
918 1HA GLY 113 1HA GLY 113 10.126 5.885 -8.796
919 2HA GLY 113 2HA GLY 113 9.630 7.168 -7.711
920 H VAL 114 H VAL 114 12.014 4.932 -6.444
921 HA VAL 114 HA VAL 114 14.241 6.537 -7.357
922 HB VAL 114 HB VAL 114 13.140 6.588 -4.580
923 1HG1 VAL 114 2HG1 VAL 114 16.029 6.342 -5.303
924 2HG1 VAL 114 3HG1 VAL 114 15.584 7.512 -4.037
925 3HG1 VAL 114 1HG1 VAL 114 15.158 5.794 -3.850
926 1HG2 VAL 114 2HG2 VAL 114 14.339 8.575 -6.515
927 2HG2 VAL 114 3HG2 VAL 114 12.719 8.565 -5.777
928 3HG2 VAL 114 1HG2 VAL 114 14.146 8.953 -4.787
929 H ALA 115 H ALA 115 14.624 4.449 -8.433
930 HA ALA 115 HA ALA 115 16.561 2.952 -7.398
931 1HB ALA 115 1HB ALA 115 14.019 2.294 -6.070
932 2HB ALA 115 2HB ALA 115 14.820 0.879 -6.790
933 3HB ALA 115 3HB ALA 115 15.687 1.885 -5.606
934 H SER 116 H SER 116 17.144 2.809 -9.562
935 HA SER 116 HA SER 116 17.111 2.187 -11.647
936 HB SER 116 2HB SER 116 15.687 -0.207 -10.413
937 HB SER 116 QB SER 116 15.687 -0.207 -10.413
938 HG SER 116 HG SER 116 15.567 -1.064 -12.362
No H/Q in entry = 795
Start of MODEL 16
1 H SER 1 H SER 1 -10.664 -17.574 1.638
2 HA SER 1 HA SER 1 -10.275 -16.089 -0.532
3 HB SER 1 2HB SER 1 -11.618 -14.334 0.550
4 HB SER 1 QB SER 1 -11.618 -14.334 0.550
5 HG SER 1 HG SER 1 -13.311 -15.638 0.682
6 H LEU 2 H LEU 2 -9.383 -13.889 -0.933
7 HA LEU 2 HA LEU 2 -7.722 -12.435 -0.945
8 HB LEU 2 2HB LEU 2 -7.871 -12.843 2.042
9 HB LEU 2 QB LEU 2 -7.871 -12.843 2.042
10 HG LEU 2 HG LEU 2 -5.733 -11.670 1.177
11 1HD1 LEU 2 2HD1 LEU 2 -7.856 -9.679 0.394
12 2HD1 LEU 2 3HD1 LEU 2 -6.197 -9.173 0.792
13 3HD1 LEU 2 1HD1 LEU 2 -6.486 -10.296 -0.559
14 1HD2 LEU 2 2HD2 LEU 2 -7.653 -10.690 3.254
15 2HD2 LEU 2 3HD2 LEU 2 -6.055 -11.452 3.437
16 3HD2 LEU 2 1HD2 LEU 2 -6.178 -9.752 2.922
17 H GLY 3 H GLY 3 -5.526 -12.448 -1.393
18 1HA GLY 3 1HA GLY 3 -4.135 -14.947 -0.660
19 2HA GLY 3 2HA GLY 3 -3.836 -13.979 -2.091
20 H ILE 4 H ILE 4 -1.646 -13.505 -1.756
21 HA ILE 4 HA ILE 4 -0.940 -11.294 -0.375
22 HB ILE 4 HB ILE 4 -1.616 -13.073 1.544
23 HG1 ILE 4 2HG1 ILE 4 0.010 -11.631 3.000
24 HG1 ILE 4 QG1 ILE 4 0.010 -11.631 3.000
25 1HG2 ILE 4 1HG2 ILE 4 1.379 -13.365 1.175
26 2HG2 ILE 4 2HG2 ILE 4 0.446 -13.914 2.588
27 3HG2 ILE 4 3HG2 ILE 4 0.154 -14.644 0.991
28 1HD1 ILE 4 2HD1 ILE 4 1.366 -10.972 0.906
29 2HD1 ILE 4 3HD1 ILE 4 -0.036 -9.977 0.445
30 3HD1 ILE 4 1HD1 ILE 4 0.838 -9.638 1.959
31 H ASP 5 H ASP 5 1.177 -10.730 -0.899
32 HA ASP 5 HA ASP 5 2.945 -12.837 -1.710
33 HB ASP 5 2HB ASP 5 2.920 -10.693 -3.729
34 HB ASP 5 QB ASP 5 2.920 -10.693 -3.729
35 HD2 ASP 5 HD ASP 5 4.333 -11.672 -5.047
36 H MET 6 H MET 6 5.161 -12.130 -1.515
37 HA MET 6 HA MET 6 5.533 -9.298 -0.994
38 HB MET 6 2HB MET 6 7.144 -10.089 0.911
39 HB MET 6 QB MET 6 7.144 -10.089 0.911
40 HG MET 6 2HG MET 6 4.118 -10.287 1.025
41 HG MET 6 QG MET 6 4.118 -10.287 1.025
42 1HE MET 6 3HE MET 6 4.142 -12.508 1.577
43 2HE MET 6 1HE MET 6 4.809 -13.310 3.020
44 3HE MET 6 2HE MET 6 3.263 -12.434 3.123
45 H ASN 7 H ASN 7 7.524 -8.466 -1.716
46 HA ASN 7 HA ASN 7 9.471 -10.402 -2.614
47 HB ASN 7 2HB ASN 7 9.314 -8.274 -4.586
48 HB ASN 7 QB ASN 7 9.314 -8.274 -4.586
49 1HD2 ASN 7 2HD2 ASN 7 10.816 -11.089 -6.049
50 2HD2 ASN 7 1HD2 ASN 7 11.044 -9.580 -5.230
51 H VAL 8 H VAL 8 11.634 -9.295 -3.026
52 HA VAL 8 HA VAL 8 11.760 -6.653 -1.749
53 HB VAL 8 HB VAL 8 12.697 -9.057 -0.703
54 1HG1 VAL 8 2HG1 VAL 8 15.009 -7.450 -1.843
55 2HG1 VAL 8 3HG1 VAL 8 15.157 -8.761 -0.648
56 3HG1 VAL 8 1HG1 VAL 8 14.547 -9.112 -2.282
57 1HG2 VAL 8 1HG2 VAL 8 12.959 -6.153 -0.109
58 2HG2 VAL 8 2HG2 VAL 8 12.336 -7.483 0.898
59 3HG2 VAL 8 3HG2 VAL 8 14.092 -7.244 0.726
60 H LYS 9 H LYS 9 13.367 -5.218 -2.587
61 HA LYS 9 HA LYS 9 15.019 -6.120 -4.750
62 HB LYS 9 2HB LYS 9 13.893 -4.148 -6.172
63 HB LYS 9 QB LYS 9 13.893 -4.148 -6.172
64 HG LYS 9 2HG LYS 9 13.885 -7.008 -6.191
65 HG LYS 9 QG LYS 9 13.885 -7.008 -6.191
66 HD LYS 9 2HD LYS 9 11.159 -5.736 -6.627
67 HD LYS 9 QD LYS 9 11.159 -5.736 -6.627
68 HE LYS 9 2HE LYS 9 10.524 -7.906 -7.756
69 HE LYS 9 QE LYS 9 10.524 -7.906 -7.756
70 1HZ LYS 9 1HZ LYS 9 11.797 -5.735 -8.881
71 2HZ LYS 9 2HZ LYS 9 12.526 -7.015 -9.575
72 H GLU 10 H GLU 10 16.897 -5.291 -3.983
73 HA GLU 10 HA GLU 10 18.381 -3.841 -3.345
74 HB GLU 10 2HB GLU 10 16.334 -1.938 -4.499
75 HB GLU 10 QB GLU 10 16.334 -1.938 -4.499
76 HG GLU 10 2HG GLU 10 18.616 -1.271 -2.696
77 HG GLU 10 QG GLU 10 18.616 -1.271 -2.696
78 HE2 GLU 10 HE GLU 10 20.232 -0.102 -3.300
79 H SER 11 H SER 11 15.085 -3.521 -2.127
80 HA SER 11 HA SER 11 15.584 -3.725 0.438
81 HB SER 11 2HB SER 11 16.810 -1.940 1.104
82 HB SER 11 QB SER 11 16.810 -1.940 1.104
83 HG SER 11 HG SER 11 16.842 0.071 -0.333
84 H VAL 12 H VAL 12 13.757 -2.786 -2.224
85 HA VAL 12 HA VAL 12 11.504 -1.751 -0.741
86 HB VAL 12 HB VAL 12 12.207 -0.911 -2.978
87 1HG1 VAL 12 3HG1 VAL 12 12.553 -3.468 -3.718
88 2HG1 VAL 12 1HG1 VAL 12 10.898 -3.227 -4.323
89 3HG1 VAL 12 2HG1 VAL 12 12.212 -2.166 -4.882
90 1HG2 VAL 12 2HG2 VAL 12 9.883 -0.675 -2.030
91 2HG2 VAL 12 3HG2 VAL 12 9.981 -0.603 -3.806
92 3HG2 VAL 12 1HG2 VAL 12 9.412 -2.088 -3.006
93 H LEU 13 H LEU 13 9.931 -2.986 0.149
94 HA LEU 13 HA LEU 13 9.950 -5.823 -0.546
95 HB LEU 13 2HB LEU 13 9.722 -6.162 1.612
96 HB LEU 13 QB LEU 13 9.722 -6.162 1.612
97 HG LEU 13 HG LEU 13 10.681 -3.624 1.684
98 1HD1 LEU 13 2HD1 LEU 13 8.152 -2.944 1.855
99 2HD1 LEU 13 3HD1 LEU 13 8.361 -3.389 3.566
100 3HD1 LEU 13 1HD1 LEU 13 9.384 -2.123 2.844
101 1HD2 LEU 13 1HD2 LEU 13 11.131 -5.651 3.167
102 2HD2 LEU 13 2HD2 LEU 13 11.275 -4.044 3.919
103 3HD2 LEU 13 3HD2 LEU 13 9.826 -5.038 4.211
104 H CYS 14 H CYS 14 8.717 -6.140 -2.355
105 HA CYS 14 HA CYS 14 6.415 -4.567 -2.849
106 HB CYS 14 2HB CYS 14 6.327 -5.600 -4.894
107 HB CYS 14 QB CYS 14 6.327 -5.600 -4.894
108 HG CYS 14 HG CYS 14 8.582 -6.049 -5.968
109 H ILE 15 H ILE 15 4.289 -4.983 -2.247
110 HA ILE 15 HA ILE 15 3.797 -7.591 -0.987
111 HB ILE 15 HB ILE 15 3.330 -4.840 -0.017
112 HG1 ILE 15 2HG1 ILE 15 3.628 -7.477 1.445
113 HG1 ILE 15 QG1 ILE 15 3.628 -7.477 1.445
114 1HG2 ILE 15 1HG2 ILE 15 1.209 -6.951 0.020
115 2HG2 ILE 15 2HG2 ILE 15 1.416 -5.898 1.440
116 3HG2 ILE 15 3HG2 ILE 15 1.067 -5.186 -0.154
117 1HD1 ILE 15 3HD1 ILE 15 5.598 -5.632 0.150
118 2HD1 ILE 15 1HD1 ILE 15 5.987 -6.178 1.799
119 3HD1 ILE 15 2HD1 ILE 15 5.731 -7.371 0.503
120 H ARG 16 H ARG 16 2.826 -8.639 -2.704
121 HA ARG 16 HA ARG 16 0.787 -7.181 -4.122
122 HB ARG 16 2HB ARG 16 1.111 -9.995 -4.902
123 HB ARG 16 QB ARG 16 1.111 -9.995 -4.902
124 HG ARG 16 2HG ARG 16 0.893 -7.343 -6.099
125 HG ARG 16 QG ARG 16 0.893 -7.343 -6.099
126 HD ARG 16 2HD ARG 16 3.096 -9.193 -7.108
127 HD ARG 16 QD ARG 16 3.096 -9.193 -7.108
128 HE ARG 16 HE ARG 16 1.279 -7.550 -8.700
129 1HH1 ARG 16 1HH2 ARG 16 4.892 -8.624 -10.190
130 2HH1 ARG 16 2HH2 ARG 16 4.597 -8.774 -8.490
131 HH2 ARG 16 1HH ARG 16 3.156 -7.786 -11.614
132 H LEU 17 H LEU 17 -1.199 -7.176 -3.085
133 HA LEU 17 HA LEU 17 -1.983 -9.618 -1.681
134 HB LEU 17 2HB LEU 17 -3.777 -7.384 -1.362
135 HB LEU 17 QB LEU 17 -3.777 -7.384 -1.362
136 HG LEU 17 HG LEU 17 -3.639 -7.783 0.885
137 1HD1 LEU 17 2HD1 LEU 17 -3.634 -10.055 -0.730
138 2HD1 LEU 17 3HD1 LEU 17 -2.508 -10.443 0.594
139 3HD1 LEU 17 1HD1 LEU 17 -4.175 -9.940 0.962
140 1HD2 LEU 17 2HD2 LEU 17 -0.739 -8.114 0.367
141 2HD2 LEU 17 3HD2 LEU 17 -1.590 -7.252 1.672
142 3HD2 LEU 17 1HD2 LEU 17 -1.407 -9.020 1.745
143 H THR 18 H THR 18 -3.568 -10.933 -2.453
144 HA THR 18 HA THR 18 -5.198 -9.869 -4.661
145 HB THR 18 HB THR 18 -4.979 -12.397 -5.449
146 HG1 THR 18 1HG THR 18 -2.573 -11.846 -3.861
147 1HG2 THR 18 3HG2 THR 18 -2.691 -10.369 -5.599
148 2HG2 THR 18 1HG2 THR 18 -2.707 -11.892 -6.520
149 3HG2 THR 18 2HG2 THR 18 -3.951 -10.656 -6.824
150 H GLY 19 H GLY 19 -7.251 -9.719 -4.035
151 1HA GLY 19 1HA GLY 19 -8.916 -11.715 -3.382
152 2HA GLY 19 2HA GLY 19 -8.201 -11.342 -1.826
153 H GLU 20 H GLU 20 -9.318 -9.885 -0.612
154 HA GLU 20 HA GLU 20 -10.775 -7.839 -2.095
155 HB GLU 20 2HB GLU 20 -12.108 -8.121 0.355
156 HB GLU 20 QB GLU 20 -12.108 -8.121 0.355
157 HG GLU 20 2HG GLU 20 -12.801 -8.041 -2.277
158 HG GLU 20 QG GLU 20 -12.801 -8.041 -2.277
159 HE2 GLU 20 HE GLU 20 -15.030 -10.173 -1.933
160 H LEU 21 H LEU 21 -11.201 -5.808 -0.745
161 HA LEU 21 HA LEU 21 -8.963 -5.401 1.116
162 HB LEU 21 2HB LEU 21 -9.644 -2.914 0.096
163 HB LEU 21 QB LEU 21 -9.644 -2.914 0.096
164 HG LEU 21 HG LEU 21 -7.498 -2.747 -0.593
165 1HD1 LEU 21 1HD1 LEU 21 -7.608 -4.040 1.645
166 2HD1 LEU 21 2HD1 LEU 21 -7.014 -5.423 0.693
167 3HD1 LEU 21 3HD1 LEU 21 -6.051 -3.929 0.787
168 1HD2 LEU 21 3HD2 LEU 21 -8.220 -4.735 -2.376
169 2HD2 LEU 21 1HD2 LEU 21 -6.664 -3.869 -2.328
170 3HD2 LEU 21 2HD2 LEU 21 -6.836 -5.439 -1.507
171 H ASP 22 H ASP 22 -10.355 -6.076 2.875
172 HA ASP 22 HA ASP 22 -12.102 -3.896 3.632
173 HB ASP 22 2HB ASP 22 -13.747 -5.425 2.873
174 HB ASP 22 QB ASP 22 -13.747 -5.425 2.873
175 HD2 ASP 22 HD ASP 22 -14.713 -7.548 3.144
176 H HIS 23 H HIS 23 -12.835 -4.466 6.124
177 HA HIS 23 HA HIS 23 -10.622 -4.359 7.677
178 HB HIS 23 2HB HIS 23 -13.120 -3.950 8.206
179 HB HIS 23 QB HIS 23 -13.120 -3.950 8.206
180 HD1 HIS 23 1HD HIS 23 -12.531 -6.686 10.650
181 HD2 HIS 23 2HD HIS 23 -14.918 -6.020 7.264
182 HE1 HIS 23 1HE HIS 23 -14.324 -8.502 10.670
183 H HIS 24 H HIS 24 -12.090 -7.177 6.160
184 HA HIS 24 HA HIS 24 -10.880 -9.073 7.886
185 HB HIS 24 2HB HIS 24 -11.425 -10.528 5.712
186 HB HIS 24 QB HIS 24 -11.425 -10.528 5.712
187 HD1 HIS 24 1HD HIS 24 -14.742 -9.256 6.141
188 HD2 HIS 24 2HD HIS 24 -12.100 -11.438 8.561
189 HE1 HIS 24 1HE HIS 24 -16.172 -10.367 7.938
190 H THR 25 H THR 25 -10.161 -7.870 4.535
191 HA THR 25 HA THR 25 -7.650 -9.285 4.519
192 HB THR 25 HB THR 25 -7.621 -8.640 2.235
193 HG1 THR 25 1HG THR 25 -8.729 -6.345 3.500
194 1HG2 THR 25 3HG2 THR 25 -10.206 -9.327 3.291
195 2HG2 THR 25 1HG2 THR 25 -10.454 -8.013 2.118
196 3HG2 THR 25 2HG2 THR 25 -9.638 -9.513 1.615
197 H ALA 26 H ALA 26 -8.837 -6.061 5.358
198 HA ALA 26 HA ALA 26 -6.362 -4.742 5.134
199 1HB ALA 26 2HB ALA 26 -9.060 -4.254 6.277
200 2HB ALA 26 3HB ALA 26 -7.732 -3.344 7.041
201 3HB ALA 26 1HB ALA 26 -8.024 -3.193 5.291
202 H GLU 27 H GLU 27 -7.538 -7.175 7.288
203 HA GLU 27 HA GLU 27 -6.109 -6.337 9.565
204 HB GLU 27 2HB GLU 27 -6.598 -9.229 9.397
205 HB GLU 27 QB GLU 27 -6.598 -9.229 9.397
206 HG GLU 27 2HG GLU 27 -7.102 -6.920 11.189
207 HG GLU 27 QG GLU 27 -7.102 -6.920 11.189
208 HE2 GLU 27 HE GLU 27 -9.340 -8.407 13.123
209 H THR 28 H THR 28 -5.529 -8.830 6.990
210 HA THR 28 HA THR 28 -3.188 -9.897 7.882
211 HB THR 28 HB THR 28 -4.485 -9.371 5.218
212 HG1 THR 28 1HG THR 28 -4.994 -11.316 6.271
213 1HG2 THR 28 2HG2 THR 28 -1.606 -10.333 5.610
214 2HG2 THR 28 3HG2 THR 28 -2.568 -10.692 4.155
215 3HG2 THR 28 1HG2 THR 28 -2.157 -9.007 4.558
216 H LEU 29 H LEU 29 -3.589 -6.813 6.044
217 HA LEU 29 HA LEU 29 -0.811 -6.313 5.974
218 HB LEU 29 2HB LEU 29 -3.306 -4.776 5.397
219 HB LEU 29 QB LEU 29 -3.306 -4.776 5.397
220 HG LEU 29 HG LEU 29 -1.920 -2.904 4.530
221 1HD1 LEU 29 1HD1 LEU 29 -3.121 -3.078 6.881
222 2HD1 LEU 29 2HD1 LEU 29 -1.452 -2.933 7.482
223 3HD1 LEU 29 3HD1 LEU 29 -2.136 -1.664 6.438
224 1HD2 LEU 29 1HD2 LEU 29 0.231 -4.447 4.828
225 2HD2 LEU 29 2HD2 LEU 29 0.317 -2.669 4.865
226 3HD2 LEU 29 3HD2 LEU 29 0.308 -3.591 6.387
227 H LYS 30 H LYS 30 -3.384 -5.807 8.350
228 HA LYS 30 HA LYS 30 -2.388 -3.764 9.846
229 HB LYS 30 2HB LYS 30 -3.513 -6.215 11.176
230 HB LYS 30 QB LYS 30 -3.513 -6.215 11.176
231 HG LYS 30 2HG LYS 30 -4.961 -3.932 11.856
232 HG LYS 30 QG LYS 30 -4.961 -3.932 11.856
233 HD LYS 30 2HD LYS 30 -2.762 -5.550 13.080
234 HD LYS 30 QD LYS 30 -2.762 -5.550 13.080
235 HE LYS 30 2HE LYS 30 -3.024 -2.688 13.606
236 HE LYS 30 QE LYS 30 -3.024 -2.688 13.606
237 1HZ LYS 30 1HZ LYS 30 -4.372 -4.284 15.448
238 2HZ LYS 30 2HZ LYS 30 -2.974 -3.869 16.169
239 H GLN 31 H GLN 31 -1.348 -7.213 9.791
240 HA GLN 31 HA GLN 31 0.530 -6.758 11.873
241 HB GLN 31 2HB GLN 31 -0.674 -8.970 11.265
242 HB GLN 31 QB GLN 31 -0.674 -8.970 11.265
243 HG GLN 31 2HG GLN 31 1.692 -9.631 9.567
244 HG GLN 31 QG GLN 31 1.692 -9.631 9.567
245 1HE2 GLN 31 2HE2 GLN 31 -2.211 -11.035 9.294
246 2HE2 GLN 31 1HE2 GLN 31 -1.864 -9.375 9.647
247 H LYS 32 H LYS 32 0.466 -6.595 8.338
248 HA LYS 32 HA LYS 32 3.255 -6.796 7.949
249 HB LYS 32 2HB LYS 32 1.128 -5.526 6.200
250 HB LYS 32 QB LYS 32 1.128 -5.526 6.200
251 HG LYS 32 2HG LYS 32 3.683 -5.109 5.757
252 HG LYS 32 QG LYS 32 3.683 -5.109 5.757
253 HD LYS 32 2HD LYS 32 3.361 -8.043 4.970
254 HD LYS 32 QD LYS 32 3.361 -8.043 4.970
255 HE LYS 32 2HE LYS 32 4.997 -5.911 3.808
256 HE LYS 32 QE LYS 32 4.997 -5.911 3.808
257 1HZ LYS 32 1HZ LYS 32 6.809 -6.509 5.110
258 2HZ LYS 32 2HZ LYS 32 6.353 -8.062 5.288
259 H VAL 33 H VAL 33 1.370 -4.482 9.552
260 HA VAL 33 HA VAL 33 2.925 -2.202 8.712
261 HB VAL 33 HB VAL 33 0.944 -2.447 10.979
262 1HG1 VAL 33 3HG1 VAL 33 2.341 -0.200 9.604
263 2HG1 VAL 33 1HG1 VAL 33 0.637 0.053 10.054
264 3HG1 VAL 33 2HG1 VAL 33 1.834 -0.372 11.302
265 1HG2 VAL 33 2HG2 VAL 33 0.524 -2.357 8.032
266 2HG2 VAL 33 3HG2 VAL 33 -0.483 -3.068 9.318
267 3HG2 VAL 33 1HG2 VAL 33 -0.520 -1.312 9.026
268 H THR 34 H THR 34 2.467 -4.190 11.715
269 HA THR 34 HA THR 34 4.359 -2.882 13.263
270 HB THR 34 HB THR 34 2.837 -4.404 14.315
271 HG1 THR 34 1HG THR 34 4.943 -4.664 15.217
272 1HG2 THR 34 3HG2 THR 34 3.880 -6.453 12.294
273 2HG2 THR 34 1HG2 THR 34 2.939 -6.898 13.739
274 3HG2 THR 34 2HG2 THR 34 2.203 -5.884 12.474
275 H GLN 35 H GLN 35 4.764 -5.533 10.865
276 HA GLN 35 HA GLN 35 7.394 -6.071 11.472
277 HB GLN 35 2HB GLN 35 5.948 -7.479 10.019
278 HB GLN 35 QB GLN 35 5.948 -7.479 10.019
279 HG GLN 35 2HG GLN 35 5.153 -5.290 8.722
280 HG GLN 35 QG GLN 35 5.153 -5.290 8.722
281 1HE2 GLN 35 2HE2 GLN 35 6.867 -4.204 5.824
282 2HE2 GLN 35 1HE2 GLN 35 5.319 -4.418 6.572
283 H SER 36 H SER 36 5.918 -3.635 9.261
284 HA SER 36 HA SER 36 8.457 -2.773 8.338
285 HB SER 36 2HB SER 36 6.102 -0.959 8.063
286 HB SER 36 QB SER 36 6.102 -0.959 8.063
287 HG SER 36 HG SER 36 7.095 -1.956 5.731
288 H LEU 37 H LEU 37 6.319 -2.074 11.044
289 HA LEU 37 HA LEU 37 6.927 0.528 11.629
290 HB LEU 37 2HB LEU 37 6.848 -0.954 14.054
291 HB LEU 37 QB LEU 37 6.848 -0.954 14.054
292 HG LEU 37 HG LEU 37 4.727 0.004 14.419
293 1HD1 LEU 37 2HD1 LEU 37 6.694 1.585 14.236
294 2HD1 LEU 37 3HD1 LEU 37 6.075 2.030 12.626
295 3HD1 LEU 37 1HD1 LEU 37 5.080 2.319 14.073
296 1HD2 LEU 37 1HD2 LEU 37 3.744 -0.796 12.254
297 2HD2 LEU 37 2HD2 LEU 37 3.233 0.834 12.756
298 3HD2 LEU 37 3HD2 LEU 37 4.452 0.638 11.473
299 H GLU 38 H GLU 38 8.904 -2.415 12.004
300 HA GLU 38 HA GLU 38 11.208 -0.797 12.246
301 HB GLU 38 2HB GLU 38 11.847 -2.122 14.472
302 HB GLU 38 QB GLU 38 11.847 -2.122 14.472
303 HG GLU 38 2HG GLU 38 11.079 0.491 13.895
304 HG GLU 38 QG GLU 38 11.079 0.491 13.895
305 HE2 GLU 38 HE GLU 38 9.372 2.006 15.310
306 H LYS 39 H LYS 39 11.335 -2.119 10.203
307 HA LYS 39 HA LYS 39 11.591 -4.938 10.427
308 HB LYS 39 2HB LYS 39 12.768 -3.565 8.083
309 HB LYS 39 QB LYS 39 12.768 -3.565 8.083
310 HG LYS 39 2HG LYS 39 10.382 -5.388 8.009
311 HG LYS 39 QG LYS 39 10.382 -5.388 8.009
312 HD LYS 39 2HD LYS 39 11.972 -4.434 6.063
313 HD LYS 39 QD LYS 39 11.972 -4.434 6.063
314 HE LYS 39 2HE LYS 39 13.414 -6.887 7.157
315 HE LYS 39 QE LYS 39 13.414 -6.887 7.157
316 1HZ LYS 39 1HZ LYS 39 13.744 -7.439 5.013
317 2HZ LYS 39 2HZ LYS 39 13.032 -6.092 4.438
318 H ASP 40 H ASP 40 13.900 -2.168 10.137
319 HA ASP 40 HA ASP 40 15.750 -3.129 11.809
320 HB ASP 40 2HB ASP 40 17.448 -3.841 9.777
321 HB ASP 40 QB ASP 40 17.448 -3.841 9.777
322 HD1 ASP 40 HD ASP 40 16.269 -5.326 12.734
323 H ASP 41 H ASP 41 16.855 -2.585 8.445
324 HA ASP 41 HA ASP 41 18.043 -0.136 9.221
325 HB ASP 41 2HB ASP 41 17.754 -1.487 6.496
326 HB ASP 41 QB ASP 41 17.754 -1.487 6.496
327 HD1 ASP 41 HD ASP 41 20.186 0.528 8.070
328 H ILE 42 H ILE 42 17.016 0.077 5.957
329 HA ILE 42 HA ILE 42 14.469 1.322 6.532
330 HB ILE 42 HB ILE 42 16.942 2.830 5.879
331 HG1 ILE 42 2HG1 ILE 42 15.761 4.566 7.212
332 HG1 ILE 42 QG1 ILE 42 15.761 4.566 7.212
333 1HG2 ILE 42 2HG2 ILE 42 14.358 3.166 4.433
334 2HG2 ILE 42 3HG2 ILE 42 15.206 4.634 4.974
335 3HG2 ILE 42 1HG2 ILE 42 16.028 3.478 3.899
336 1HD1 ILE 42 3HD1 ILE 42 13.489 2.927 6.673
337 2HD1 ILE 42 1HD1 ILE 42 13.814 2.789 8.417
338 3HD1 ILE 42 2HD1 ILE 42 13.556 4.391 7.685
339 H ARG 43 H ARG 43 13.742 -0.537 5.307
340 HA ARG 43 HA ARG 43 14.733 -0.855 2.675
341 HB ARG 43 2HB ARG 43 12.377 -2.305 2.744
342 HB ARG 43 QB ARG 43 12.377 -2.305 2.744
343 HG ARG 43 2HG ARG 43 14.278 -3.573 2.270
344 HG ARG 43 QG ARG 43 14.278 -3.573 2.270
345 HD ARG 43 2HD ARG 43 15.501 -1.942 4.472
346 HD ARG 43 QD ARG 43 15.501 -1.942 4.472
347 HE ARG 43 HE ARG 43 16.267 -4.010 5.368
348 1HH1 ARG 43 2HH2 ARG 43 16.863 -3.845 1.879
349 2HH1 ARG 43 1HH2 ARG 43 17.940 -5.201 1.874
350 HH2 ARG 43 1HH ARG 43 18.410 -6.335 3.931
351 H HIS 44 H HIS 44 12.319 -1.402 1.212
352 HA HIS 44 HA HIS 44 10.958 1.184 1.258
353 HB HIS 44 2HB HIS 44 10.961 1.011 -1.296
354 HB HIS 44 QB HIS 44 10.961 1.011 -1.296
355 HD1 HIS 44 1HD HIS 44 11.816 3.146 0.731
356 HD2 HIS 44 2HD HIS 44 14.501 1.148 -1.797
357 HE1 HIS 44 1HE HIS 44 13.862 4.656 0.525
358 H ILE 45 H ILE 45 8.802 1.112 0.142
359 HA ILE 45 HA ILE 45 7.654 -1.565 0.483
360 HB ILE 45 HB ILE 45 5.762 -0.631 1.308
361 HG1 ILE 45 2HG1 ILE 45 5.248 1.899 0.875
362 HG1 ILE 45 QG1 ILE 45 5.248 1.899 0.875
363 1HG2 ILE 45 3HG2 ILE 45 7.922 1.381 1.982
364 2HG2 ILE 45 1HG2 ILE 45 6.344 1.287 2.803
365 3HG2 ILE 45 2HG2 ILE 45 7.475 -0.086 2.887
366 1HD1 ILE 45 3HD1 ILE 45 7.638 1.582 -0.645
367 2HD1 ILE 45 1HD1 ILE 45 6.301 1.661 -1.817
368 3HD1 ILE 45 2HD1 ILE 45 6.534 2.978 -0.642
369 H VAL 46 H VAL 46 5.905 -2.184 -1.045
370 HA VAL 46 HA VAL 46 5.719 -0.712 -3.491
371 HB VAL 46 HB VAL 46 7.565 -2.996 -3.200
372 1HG1 VAL 46 2HG1 VAL 46 5.685 -4.060 -4.413
373 2HG1 VAL 46 3HG1 VAL 46 5.784 -2.785 -5.651
374 3HG1 VAL 46 1HG1 VAL 46 7.146 -3.907 -5.419
375 1HG2 VAL 46 2HG2 VAL 46 8.072 -0.559 -3.874
376 2HG2 VAL 46 3HG2 VAL 46 8.820 -1.862 -4.828
377 3HG2 VAL 46 1HG2 VAL 46 7.396 -1.001 -5.461
378 H LEU 47 H LEU 47 3.495 -0.708 -2.791
379 HA LEU 47 HA LEU 47 2.202 -3.261 -2.455
380 HB LEU 47 2HB LEU 47 0.161 -1.643 -2.370
381 HB LEU 47 QB LEU 47 0.161 -1.643 -2.370
382 HG LEU 47 HG LEU 47 0.661 -2.515 -0.285
383 1HD1 LEU 47 1HD1 LEU 47 3.382 -1.188 -0.437
384 2HD1 LEU 47 2HD1 LEU 47 2.762 -2.116 0.950
385 3HD1 LEU 47 3HD1 LEU 47 3.023 -2.923 -0.615
386 1HD2 LEU 47 3HD2 LEU 47 0.027 0.089 -0.410
387 2HD2 LEU 47 1HD2 LEU 47 0.226 -0.796 1.122
388 3HD2 LEU 47 2HD2 LEU 47 1.555 0.209 0.495
389 H ASN 48 H ASN 48 0.354 -3.947 -3.795
390 HA ASN 48 HA ASN 48 -0.223 -2.715 -6.200
391 HB ASN 48 2HB ASN 48 1.757 -3.327 -7.286
392 HB ASN 48 QB ASN 48 1.757 -3.327 -7.286
393 1HD2 ASN 48 2HD2 ASN 48 4.264 -5.508 -6.186
394 2HD2 ASN 48 1HD2 ASN 48 3.678 -4.461 -7.435
395 H LEU 49 H LEU 49 -2.376 -3.392 -6.168
396 HA LEU 49 HA LEU 49 -2.883 -6.184 -5.425
397 HB LEU 49 2HB LEU 49 -3.989 -3.760 -4.532
398 HB LEU 49 QB LEU 49 -3.989 -3.760 -4.532
399 HG LEU 49 HG LEU 49 -5.658 -4.787 -6.618
400 1HD1 LEU 49 2HD1 LEU 49 -6.298 -5.976 -4.124
401 2HD1 LEU 49 3HD1 LEU 49 -7.542 -4.748 -4.463
402 3HD1 LEU 49 1HD1 LEU 49 -7.214 -6.033 -5.650
403 1HD2 LEU 49 1HD2 LEU 49 -5.200 -2.399 -5.570
404 2HD2 LEU 49 2HD2 LEU 49 -6.728 -2.782 -6.399
405 3HD2 LEU 49 3HD2 LEU 49 -6.652 -2.801 -4.621
406 H GLU 50 H GLU 50 -3.562 -7.591 -6.958
407 HA GLU 50 HA GLU 50 -4.311 -6.393 -9.505
408 HB GLU 50 2HB GLU 50 -3.756 -9.260 -9.614
409 HB GLU 50 QB GLU 50 -3.756 -9.260 -9.614
410 HG GLU 50 2HG GLU 50 -1.884 -8.296 -11.155
411 HG GLU 50 QG GLU 50 -1.884 -8.296 -11.155
412 HE2 GLU 50 HE GLU 50 -4.369 -9.589 -12.956
413 H ASP 51 H ASP 51 -5.393 -8.310 -6.788
414 HA ASP 51 HA ASP 51 -7.691 -9.200 -8.324
415 HB ASP 51 2HB ASP 51 -6.540 -10.008 -5.623
416 HB ASP 51 QB ASP 51 -6.540 -10.008 -5.623
417 HD2 ASP 51 HD ASP 51 -9.253 -12.489 -5.538
418 H LEU 52 H LEU 52 -8.248 -6.712 -8.186
419 HA LEU 52 HA LEU 52 -9.220 -5.935 -5.558
420 HB LEU 52 2HB LEU 52 -8.869 -4.461 -8.165
421 HB LEU 52 QB LEU 52 -8.869 -4.461 -8.165
422 HG LEU 52 HG LEU 52 -9.388 -2.398 -7.044
423 1HD1 LEU 52 2HD1 LEU 52 -11.232 -4.062 -8.008
424 2HD1 LEU 52 3HD1 LEU 52 -11.810 -3.977 -6.327
425 3HD1 LEU 52 1HD1 LEU 52 -11.646 -2.488 -7.289
426 1HD2 LEU 52 2HD2 LEU 52 -8.661 -3.207 -4.765
427 2HD2 LEU 52 3HD2 LEU 52 -10.120 -2.189 -4.799
428 3HD2 LEU 52 1HD2 LEU 52 -10.269 -3.952 -4.605
429 H SER 53 H SER 53 -11.305 -6.172 -4.948
430 HA SER 53 HA SER 53 -13.265 -6.351 -7.085
431 HB SER 53 2HB SER 53 -12.755 -8.342 -4.869
432 HB SER 53 QB SER 53 -12.755 -8.342 -4.869
433 HG SER 53 HG SER 53 -14.861 -8.436 -4.490
434 H PHE 54 H PHE 54 -13.716 -6.988 -3.575
435 HA PHE 54 HA PHE 54 -15.787 -5.132 -3.362
436 HB PHE 54 2HB PHE 54 -13.888 -6.543 -1.404
437 HB PHE 54 QB PHE 54 -13.888 -6.543 -1.404
438 HD1 PHE 54 1HD PHE 54 -16.248 -3.861 -1.623
439 HD2 PHE 54 2HD PHE 54 -14.792 -6.910 0.943
440 HE1 PHE 54 1HE PHE 54 -17.200 -2.648 0.358
441 HE2 PHE 54 2HE PHE 54 -15.744 -5.698 2.924
442 HZ PHE 54 HZ PHE 54 -16.937 -3.581 2.608
443 H MET 55 H MET 55 -12.476 -5.022 -1.844
444 HA MET 55 HA MET 55 -11.415 -3.320 -0.936
445 HB MET 55 2HB MET 55 -11.798 -2.933 -3.815
446 HB MET 55 QB MET 55 -11.798 -2.933 -3.815
447 HG MET 55 2HG MET 55 -10.782 -0.479 -3.592
448 HG MET 55 QG MET 55 -10.782 -0.479 -3.592
449 1HE MET 55 3HE MET 55 -12.173 -2.161 -5.423
450 2HE MET 55 1HE MET 55 -13.534 -2.859 -4.513
451 3HE MET 55 2HE MET 55 -13.847 -1.758 -5.875
452 H ASP 56 H ASP 56 -12.636 -2.551 0.823
453 HA ASP 56 HA ASP 56 -14.514 -0.428 0.167
454 HB ASP 56 2HB ASP 56 -14.316 -1.553 2.945
455 HB ASP 56 QB ASP 56 -14.316 -1.553 2.945
456 HD2 ASP 56 HD ASP 56 -17.852 -1.290 2.987
457 H SER 57 H SER 57 -14.593 0.835 2.729
458 HA SER 57 HA SER 57 -12.027 2.130 2.678
459 HB SER 57 2HB SER 57 -14.170 3.438 2.693
460 HB SER 57 QB SER 57 -14.170 3.438 2.693
461 HG SER 57 HG SER 57 -14.874 1.794 4.643
462 H SER 58 H SER 58 -12.805 -0.677 3.927
463 HA SER 58 HA SER 58 -12.489 -0.357 6.685
464 HB SER 58 2HB SER 58 -12.553 -2.696 6.784
465 HB SER 58 QB SER 58 -12.553 -2.696 6.784
466 HG SER 58 HG SER 58 -14.267 -1.709 5.245
467 H GLY 59 H GLY 59 -10.226 -1.219 3.988
468 1HA GLY 59 1HA GLY 59 -7.954 -1.274 5.798
469 2HA GLY 59 2HA GLY 59 -7.965 -1.602 4.077
470 H LEU 60 H LEU 60 -9.778 1.121 4.154
471 HA LEU 60 HA LEU 60 -7.895 2.760 3.029
472 HB LEU 60 2HB LEU 60 -9.924 4.236 4.488
473 HB LEU 60 QB LEU 60 -9.924 4.236 4.488
474 HG LEU 60 HG LEU 60 -10.832 4.518 2.087
475 1HD1 LEU 60 3HD1 LEU 60 -9.523 6.193 3.406
476 2HD1 LEU 60 1HD1 LEU 60 -8.044 5.558 2.646
477 3HD1 LEU 60 2HD1 LEU 60 -9.308 6.307 1.643
478 1HD2 LEU 60 1HD2 LEU 60 -9.443 2.475 1.320
479 2HD2 LEU 60 2HD2 LEU 60 -9.538 3.901 0.259
480 3HD2 LEU 60 3HD2 LEU 60 -8.084 3.623 1.248
481 H GLY 61 H GLY 61 -8.845 2.413 6.487
482 1HA GLY 61 1HA GLY 61 -7.040 4.499 7.331
483 2HA GLY 61 2HA GLY 61 -8.008 3.441 8.339
484 H VAL 62 H VAL 62 -7.074 0.916 7.076
485 HA VAL 62 HA VAL 62 -4.828 0.484 8.707
486 HB VAL 62 HB VAL 62 -6.733 -1.036 7.471
487 1HG1 VAL 62 2HG1 VAL 62 -4.103 -1.519 6.035
488 2HG1 VAL 62 3HG1 VAL 62 -5.478 -2.649 6.031
489 3HG1 VAL 62 1HG1 VAL 62 -5.655 -1.030 5.313
490 1HG2 VAL 62 3HG2 VAL 62 -5.352 -1.455 9.563
491 2HG2 VAL 62 1HG2 VAL 62 -5.748 -2.890 8.587
492 3HG2 VAL 62 2HG2 VAL 62 -4.121 -2.175 8.497
493 H ILE 63 H ILE 63 -5.251 1.710 5.448
494 HA ILE 63 HA ILE 63 -2.466 1.169 4.802
495 HB ILE 63 HB ILE 63 -4.915 1.926 3.300
496 HG1 ILE 63 2HG1 ILE 63 -3.153 -0.308 3.507
497 HG1 ILE 63 QG1 ILE 63 -3.153 -0.308 3.507
498 1HG2 ILE 63 2HG2 ILE 63 -2.156 2.895 2.634
499 2HG2 ILE 63 3HG2 ILE 63 -3.267 2.418 1.327
500 3HG2 ILE 63 1HG2 ILE 63 -3.728 3.711 2.460
501 1HD1 ILE 63 3HD1 ILE 63 -5.607 0.374 1.836
502 2HD1 ILE 63 1HD1 ILE 63 -4.847 -1.235 1.817
503 3HD1 ILE 63 2HD1 ILE 63 -5.537 -0.595 3.328
504 H LEU 64 H LEU 64 -4.710 3.795 5.701
505 HA LEU 64 HA LEU 64 -2.864 5.871 5.121
506 HB LEU 64 2HB LEU 64 -4.926 6.407 7.131
507 HB LEU 64 QB LEU 64 -4.926 6.407 7.131
508 HG LEU 64 HG LEU 64 -3.710 7.821 5.019
509 1HD1 LEU 64 3HD1 LEU 64 -6.649 7.334 4.474
510 2HD1 LEU 64 1HD1 LEU 64 -5.682 8.638 3.745
511 3HD1 LEU 64 2HD1 LEU 64 -5.271 6.937 3.419
512 1HD2 LEU 64 2HD2 LEU 64 -5.641 8.324 7.201
513 2HD2 LEU 64 3HD2 LEU 64 -4.143 9.179 6.762
514 3HD2 LEU 64 1HD2 LEU 64 -5.649 9.507 5.871
515 H GLY 65 H GLY 65 -3.704 3.901 8.007
516 1HA GLY 65 1HA GLY 65 -2.197 5.372 9.876
517 2HA GLY 65 2HA GLY 65 -2.710 3.703 10.015
518 H ARG 66 H ARG 66 -1.300 3.108 7.310
519 HA ARG 66 HA ARG 66 1.207 2.529 8.554
520 HB ARG 66 2HB ARG 66 1.072 1.789 5.731
521 HB ARG 66 QB ARG 66 1.072 1.789 5.731
522 HG ARG 66 2HG ARG 66 0.679 -0.090 8.079
523 HG ARG 66 QG ARG 66 0.679 -0.090 8.079
524 HD ARG 66 2HD ARG 66 0.803 -0.930 5.679
525 HD ARG 66 QD ARG 66 0.803 -0.930 5.679
526 HE ARG 66 HE ARG 66 3.697 -0.257 5.667
527 1HH1 ARG 66 2HH2 ARG 66 0.475 0.314 4.307
528 2HH1 ARG 66 1HH2 ARG 66 1.078 1.106 2.890
529 HH2 ARG 66 1HH ARG 66 3.444 1.373 2.610
530 H TYR 67 H TYR 67 -0.034 4.250 5.605
531 HA TYR 67 HA TYR 67 2.192 5.059 4.382
532 HB TYR 67 2HB TYR 67 0.214 7.223 5.099
533 HB TYR 67 QB TYR 67 0.214 7.223 5.099
534 HD1 TYR 67 2HD TYR 67 -0.108 4.974 2.194
535 HD2 TYR 67 1HD TYR 67 1.490 8.674 3.628
536 HE1 TYR 67 2HE TYR 67 0.341 5.714 -0.197
537 HE2 TYR 67 1HE TYR 67 1.935 9.402 1.233
538 HH TYR 67 HH TYR 67 1.290 7.201 -1.469
539 H LYS 68 H LYS 68 0.856 6.513 7.412
540 HA LYS 68 HA LYS 68 2.942 8.460 7.524
541 HB LYS 68 2HB LYS 68 1.901 9.181 9.540
542 HB LYS 68 QB LYS 68 1.901 9.181 9.540
543 HG LYS 68 2HG LYS 68 -0.672 8.831 8.803
544 HG LYS 68 QG LYS 68 -0.672 8.831 8.803
545 HD LYS 68 2HD LYS 68 0.006 10.504 6.790
546 HD LYS 68 QD LYS 68 0.006 10.504 6.790
547 HE LYS 68 2HE LYS 68 -0.080 12.329 8.375
548 HE LYS 68 QE LYS 68 -0.080 12.329 8.375
549 1HZ LYS 68 1HZ LYS 68 -1.682 11.116 10.123
550 2HZ LYS 68 2HZ LYS 68 -2.170 11.477 8.612
551 H GLN 69 H GLN 69 2.405 5.147 8.657
552 HA GLN 69 HA GLN 69 4.486 5.266 10.574
553 HB GLN 69 2HB GLN 69 3.919 2.561 9.705
554 HB GLN 69 QB GLN 69 3.919 2.561 9.705
555 HG GLN 69 2HG GLN 69 3.786 4.252 12.127
556 HG GLN 69 QG GLN 69 3.786 4.252 12.127
557 1HE2 GLN 69 2HE2 GLN 69 0.964 3.198 13.863
558 2HE2 GLN 69 1HE2 GLN 69 2.478 4.038 13.859
559 H ILE 70 H ILE 70 4.109 3.845 7.256
560 HA ILE 70 HA ILE 70 6.633 2.754 7.048
561 HB ILE 70 HB ILE 70 5.327 2.057 5.364
562 HG1 ILE 70 2HG1 ILE 70 6.633 4.488 4.108
563 HG1 ILE 70 QG1 ILE 70 6.633 4.488 4.108
564 1HG2 ILE 70 2HG2 ILE 70 4.049 4.739 5.589
565 2HG2 ILE 70 3HG2 ILE 70 3.883 3.867 4.046
566 3HG2 ILE 70 1HG2 ILE 70 3.323 3.114 5.559
567 1HD1 ILE 70 2HD1 ILE 70 7.452 1.562 4.397
568 2HD1 ILE 70 3HD1 ILE 70 8.284 2.740 3.353
569 3HD1 ILE 70 1HD1 ILE 70 8.265 2.971 5.118
570 H LYS 71 H LYS 71 5.482 6.112 6.432
571 HA LYS 71 HA LYS 71 8.055 6.961 5.532
572 HB LYS 71 2HB LYS 71 6.470 9.179 6.319
573 HB LYS 71 QB LYS 71 6.470 9.179 6.319
574 HG LYS 71 2HG LYS 71 6.302 8.139 3.522
575 HG LYS 71 QG LYS 71 6.302 8.139 3.522
576 HD LYS 71 2HD LYS 71 5.855 10.557 4.495
577 HD LYS 71 QD LYS 71 5.855 10.557 4.495
578 HE LYS 71 2HE LYS 71 8.626 11.249 3.766
579 HE LYS 71 QE LYS 71 8.626 11.249 3.766
580 1HZ LYS 71 1HZ LYS 71 6.733 12.559 4.960
581 2HZ LYS 71 2HZ LYS 71 7.300 11.864 6.319
582 H GLN 72 H GLN 72 6.529 6.384 8.608
583 HA GLN 72 HA GLN 72 7.999 8.299 10.052
584 HB GLN 72 2HB GLN 72 5.869 6.563 10.571
585 HB GLN 72 QB GLN 72 5.869 6.563 10.571
586 HG GLN 72 2HG GLN 72 8.275 5.835 12.310
587 HG GLN 72 QG GLN 72 8.275 5.835 12.310
588 1HE2 GLN 72 2HE2 GLN 72 6.186 4.001 14.555
589 2HE2 GLN 72 1HE2 GLN 72 7.701 3.966 13.714
590 H ILE 73 H ILE 73 8.754 5.210 8.639
591 HA ILE 73 HA ILE 73 10.836 4.554 10.493
592 HB ILE 73 HB ILE 73 10.377 3.430 7.735
593 HG1 ILE 73 2HG1 ILE 73 8.343 3.539 9.438
594 HG1 ILE 73 QG1 ILE 73 8.343 3.539 9.438
595 1HG2 ILE 73 1HG2 ILE 73 12.316 2.933 9.722
596 2HG2 ILE 73 2HG2 ILE 73 11.195 1.550 9.754
597 3HG2 ILE 73 3HG2 ILE 73 12.002 2.007 8.234
598 1HD1 ILE 73 2HD1 ILE 73 8.526 2.321 7.192
599 2HD1 ILE 73 3HD1 ILE 73 9.088 0.902 8.106
600 3HD1 ILE 73 1HD1 ILE 73 7.457 1.555 8.392
601 H GLY 74 H GLY 74 10.537 6.126 7.272
602 1HA GLY 74 1HA GLY 74 12.135 7.972 6.966
603 2HA GLY 74 2HA GLY 74 13.392 6.875 7.503
604 H GLY 75 H GLY 75 10.615 5.941 5.420
605 1HA GLY 75 1HA GLY 75 12.510 5.620 3.169
606 2HA GLY 75 2HA GLY 75 11.354 4.381 3.618
607 H GLU 76 H GLU 76 9.999 4.366 1.823
608 HA GLU 76 HA GLU 76 8.410 6.763 1.525
609 HB GLU 76 2HB GLU 76 8.714 6.977 -0.806
610 HB GLU 76 QB GLU 76 8.714 6.977 -0.806
611 HG GLU 76 2HG GLU 76 11.223 6.849 -1.200
612 HG GLU 76 QG GLU 76 11.223 6.849 -1.200
613 HE2 GLU 76 HE GLU 76 11.875 9.108 1.670
614 H MET 77 H MET 77 6.251 6.349 0.745
615 HA MET 77 HA MET 77 5.632 3.496 0.694
616 HB MET 77 2HB MET 77 4.775 4.726 2.721
617 HB MET 77 QB MET 77 4.775 4.726 2.721
618 HG MET 77 2HG MET 77 2.634 6.195 1.433
619 HG MET 77 QG MET 77 2.634 6.195 1.433
620 1HE MET 77 2HE MET 77 3.956 8.784 1.346
621 2HE MET 77 3HE MET 77 3.168 9.382 2.826
622 3HE MET 77 1HE MET 77 4.945 9.342 2.717
623 H VAL 78 H VAL 78 4.784 2.749 -1.202
624 HA VAL 78 HA VAL 78 3.361 4.696 -2.874
625 HB VAL 78 HB VAL 78 5.277 2.577 -3.860
626 1HG1 VAL 78 2HG1 VAL 78 3.676 4.750 -5.232
627 2HG1 VAL 78 3HG1 VAL 78 5.083 3.966 -5.991
628 3HG1 VAL 78 1HG1 VAL 78 3.660 2.997 -5.540
629 1HG2 VAL 78 3HG2 VAL 78 5.684 5.491 -3.225
630 2HG2 VAL 78 1HG2 VAL 78 6.739 4.097 -2.886
631 3HG2 VAL 78 2HG2 VAL 78 6.601 4.726 -4.546
632 H VAL 79 H VAL 79 1.616 3.820 -4.123
633 HA VAL 79 HA VAL 79 1.009 1.015 -3.716
634 HB VAL 79 HB VAL 79 0.033 1.983 -1.760
635 1HG1 VAL 79 2HG1 VAL 79 -1.035 4.066 -3.665
636 2HG1 VAL 79 3HG1 VAL 79 -1.819 3.758 -2.098
637 3HG1 VAL 79 1HG1 VAL 79 -0.121 4.285 -2.154
638 1HG2 VAL 79 2HG2 VAL 79 -2.015 1.404 -3.922
639 2HG2 VAL 79 3HG2 VAL 79 -1.312 0.263 -2.751
640 3HG2 VAL 79 1HG2 VAL 79 -2.409 1.548 -2.192
641 H CYS 80 H CYS 80 -0.020 0.148 -5.489
642 HA CYS 80 HA CYS 80 -0.966 2.100 -7.460
643 HB CYS 80 2HB CYS 80 1.258 0.956 -8.013
644 HB CYS 80 QB CYS 80 1.258 0.956 -8.013
645 HG CYS 80 HG CYS 80 0.920 -1.387 -7.046
646 H ALA 81 H ALA 81 -2.020 0.137 -9.275
647 HA ALA 81 HA ALA 81 -3.709 -1.270 -9.604
648 1HB ALA 81 3HB ALA 81 -3.352 -1.803 -6.635
649 2HB ALA 81 1HB ALA 81 -4.572 -2.635 -7.629
650 3HB ALA 81 2HB ALA 81 -2.841 -2.823 -8.001
651 H ILE 82 H ILE 82 -4.314 1.301 -9.745
652 HA ILE 82 HA ILE 82 -6.379 1.972 -7.847
653 HB ILE 82 HB ILE 82 -4.664 3.558 -8.841
654 HG1 ILE 82 2HG1 ILE 82 -7.488 4.537 -9.220
655 HG1 ILE 82 QG1 ILE 82 -7.488 4.537 -9.220
656 1HG2 ILE 82 2HG2 ILE 82 -5.147 2.671 -11.216
657 2HG2 ILE 82 3HG2 ILE 82 -6.550 3.765 -11.179
658 3HG2 ILE 82 1HG2 ILE 82 -4.904 4.419 -10.989
659 1HD1 ILE 82 2HD1 ILE 82 -6.101 3.609 -6.680
660 2HD1 ILE 82 3HD1 ILE 82 -7.348 4.879 -6.647
661 3HD1 ILE 82 1HD1 ILE 82 -7.753 3.248 -7.235
662 H SER 83 H SER 83 -8.462 3.016 -9.045
663 HA SER 83 HA SER 83 -9.267 1.626 -11.356
664 HB SER 83 2HB SER 83 -9.711 0.301 -8.835
665 HB SER 83 QB SER 83 -9.711 0.301 -8.835
666 HG SER 83 HG SER 83 -11.970 0.033 -8.894
667 HA PRO 84 HA PRO 84 -12.068 4.953 -11.253
668 HB PRO 84 2HB PRO 84 -12.528 4.762 -13.501
669 HB PRO 84 QB PRO 84 -12.528 4.762 -13.501
670 HG PRO 84 2HG PRO 84 -12.153 2.666 -14.386
671 HG PRO 84 QG PRO 84 -12.153 2.666 -14.386
672 HD PRO 84 2HD PRO 84 -10.609 1.860 -12.886
673 HD PRO 84 QD PRO 84 -10.609 1.860 -12.886
674 H ALA 85 H ALA 85 -12.688 2.177 -9.689
675 HA ALA 85 HA ALA 85 -15.031 3.414 -8.442
676 1HB ALA 85 1HB ALA 85 -15.582 1.548 -10.153
677 2HB ALA 85 2HB ALA 85 -14.863 0.435 -8.965
678 3HB ALA 85 3HB ALA 85 -16.285 1.411 -8.523
679 H VAL 86 H VAL 86 -12.045 3.207 -7.886
680 HA VAL 86 HA VAL 86 -12.359 2.025 -5.227
681 HB VAL 86 HB VAL 86 -10.267 1.429 -7.295
682 1HG1 VAL 86 2HG1 VAL 86 -9.924 1.237 -4.285
683 2HG1 VAL 86 3HG1 VAL 86 -8.874 0.426 -5.473
684 3HG1 VAL 86 1HG1 VAL 86 -8.957 2.205 -5.425
685 1HG2 VAL 86 1HG2 VAL 86 -12.449 0.025 -6.268
686 2HG2 VAL 86 2HG2 VAL 86 -11.106 -0.644 -7.224
687 3HG2 VAL 86 3HG2 VAL 86 -11.041 -0.688 -5.446
688 H LYS 87 H LYS 87 -10.685 4.245 -7.497
689 HA LYS 87 HA LYS 87 -9.195 5.536 -5.460
690 HB LYS 87 2HB LYS 87 -8.689 5.409 -7.962
691 HB LYS 87 QB LYS 87 -8.689 5.409 -7.962
692 HG LYS 87 2HG LYS 87 -11.165 6.897 -8.040
693 HG LYS 87 QG LYS 87 -11.165 6.897 -8.040
694 HD LYS 87 2HD LYS 87 -8.789 8.380 -9.251
695 HD LYS 87 QD LYS 87 -8.789 8.380 -9.251
696 HE LYS 87 2HE LYS 87 -11.404 9.726 -8.845
697 HE LYS 87 QE LYS 87 -11.404 9.726 -8.845
698 1HZ LYS 87 1HZ LYS 87 -9.973 10.888 -10.208
699 2HZ LYS 87 2HZ LYS 87 -9.297 9.567 -10.878
700 H ARG 88 H ARG 88 -12.521 5.507 -6.307
701 HA ARG 88 HA ARG 88 -13.136 8.168 -5.833
702 HB ARG 88 2HB ARG 88 -14.586 6.230 -6.843
703 HB ARG 88 QB ARG 88 -14.586 6.230 -6.843
704 HG ARG 88 2HG ARG 88 -16.259 5.422 -5.035
705 HG ARG 88 QG ARG 88 -16.259 5.422 -5.035
706 HD ARG 88 2HD ARG 88 -13.668 4.147 -4.326
707 HD ARG 88 QD ARG 88 -13.668 4.147 -4.326
708 HE ARG 88 HE ARG 88 -15.506 2.545 -5.809
709 1HH1 ARG 88 2HH2 ARG 88 -15.379 4.342 -2.758
710 2HH1 ARG 88 1HH2 ARG 88 -16.537 3.325 -1.967
711 HH2 ARG 88 1HH ARG 88 -17.498 1.486 -3.167
712 H LEU 89 H LEU 89 -12.365 5.449 -3.722
713 HA LEU 89 HA LEU 89 -13.664 6.352 -1.401
714 HB LEU 89 2HB LEU 89 -11.474 4.908 -0.556
715 HB LEU 89 QB LEU 89 -11.474 4.908 -0.556
716 HG LEU 89 HG LEU 89 -13.981 3.612 -1.647
717 1HD1 LEU 89 3HD1 LEU 89 -11.699 2.722 -0.016
718 2HD1 LEU 89 1HD1 LEU 89 -13.295 2.293 0.645
719 3HD1 LEU 89 2HD1 LEU 89 -12.849 1.788 -1.002
720 1HD2 LEU 89 2HD2 LEU 89 -13.563 5.206 0.869
721 2HD2 LEU 89 3HD2 LEU 89 -14.908 5.253 -0.297
722 3HD2 LEU 89 1HD2 LEU 89 -14.742 3.874 0.816
723 H PHE 90 H PHE 90 -10.377 6.908 -2.778
724 HA PHE 90 HA PHE 90 -9.726 8.630 -0.551
725 HB PHE 90 2HB PHE 90 -7.535 8.686 -1.716
726 HB PHE 90 QB PHE 90 -7.535 8.686 -1.716
727 HD1 PHE 90 1HD PHE 90 -8.943 5.741 -3.404
728 HD2 PHE 90 2HD PHE 90 -6.934 7.170 0.049
729 HE1 PHE 90 1HE PHE 90 -8.395 3.381 -2.746
730 HE2 PHE 90 2HE PHE 90 -6.385 4.811 0.708
731 HZ PHE 90 HZ PHE 90 -7.123 2.945 -0.698
732 H ASP 91 H ASP 91 -11.108 8.847 -3.762
733 HA ASP 91 HA ASP 91 -10.247 11.458 -4.310
734 HB ASP 91 2HB ASP 91 -12.847 10.764 -5.480
735 HB ASP 91 QB ASP 91 -12.847 10.764 -5.480
736 HD2 ASP 91 HD ASP 91 -11.399 12.475 -8.035
737 H MET 92 H MET 92 -13.011 9.932 -2.611
738 HA MET 92 HA MET 92 -14.416 12.416 -2.400
739 HB MET 92 2HB MET 92 -14.870 9.685 -1.069
740 HB MET 92 QB MET 92 -14.870 9.685 -1.069
741 HG MET 92 2HG MET 92 -17.138 11.548 -1.638
742 HG MET 92 QG MET 92 -17.138 11.548 -1.638
743 1HE MET 92 2HE MET 92 -17.803 9.322 -1.993
744 2HE MET 92 3HE MET 92 -17.856 7.978 -0.826
745 3HE MET 92 1HE MET 92 -19.151 9.200 -0.837
746 H SER 93 H SER 93 -12.261 10.364 -0.425
747 HA SER 93 HA SER 93 -12.834 11.588 2.011
748 HB SER 93 2HB SER 93 -10.493 9.981 0.948
749 HB SER 93 QB SER 93 -10.493 9.981 0.948
750 HG SER 93 HG SER 93 -10.021 9.884 3.403
751 H GLY 94 H GLY 94 -10.632 12.352 -0.700
752 1HA GLY 94 1HA GLY 94 -9.630 14.319 -1.211
753 2HA GLY 94 2HA GLY 94 -10.303 15.042 0.237
754 H LEU 95 H LEU 95 -8.778 12.070 1.011
755 HA LEU 95 HA LEU 95 -6.406 13.548 1.904
756 HB LEU 95 2HB LEU 95 -7.272 10.907 3.018
757 HB LEU 95 QB LEU 95 -7.272 10.907 3.018
758 HG LEU 95 HG LEU 95 -5.304 11.508 4.079
759 1HD1 LEU 95 2HD1 LEU 95 -6.230 14.379 3.867
760 2HD1 LEU 95 3HD1 LEU 95 -4.838 13.873 4.856
761 3HD1 LEU 95 1HD1 LEU 95 -4.823 13.606 3.095
762 1HD2 LEU 95 2HD2 LEU 95 -7.554 12.718 5.705
763 2HD2 LEU 95 3HD2 LEU 95 -6.938 11.049 5.765
764 3HD2 LEU 95 1HD2 LEU 95 -5.920 12.394 6.335
765 H PHE 96 H PHE 96 -7.277 11.976 -0.742
766 HA PHE 96 HA PHE 96 -5.782 9.729 -1.039
767 HB PHE 96 2HB PHE 96 -5.609 11.709 -3.273
768 HB PHE 96 QB PHE 96 -5.609 11.709 -3.273
769 HD1 PHE 96 1HD PHE 96 -5.148 8.621 -2.467
770 HD2 PHE 96 2HD PHE 96 -7.987 10.751 -4.794
771 HE1 PHE 96 1HE PHE 96 -5.575 6.559 -3.835
772 HE2 PHE 96 2HE PHE 96 -8.414 8.690 -6.161
773 HZ PHE 96 HZ PHE 96 -7.203 6.618 -5.665
774 H LYS 97 H LYS 97 -4.687 13.130 -0.953
775 HA LYS 97 HA LYS 97 -2.142 12.686 -2.037
776 HB LYS 97 2HB LYS 97 -1.611 14.875 -1.162
777 HB LYS 97 QB LYS 97 -1.611 14.875 -1.162
778 HG LYS 97 2HG LYS 97 -4.178 14.301 -2.519
779 HG LYS 97 QG LYS 97 -4.178 14.301 -2.519
780 HD LYS 97 2HD LYS 97 -3.808 17.137 -1.519
781 HD LYS 97 QD LYS 97 -3.808 17.137 -1.519
782 HE LYS 97 2HE LYS 97 -6.335 15.607 -2.272
783 HE LYS 97 QE LYS 97 -6.335 15.607 -2.272
784 1HZ LYS 97 1HZ LYS 97 -6.295 17.870 -1.048
785 2HZ LYS 97 2HZ LYS 97 -5.848 18.510 -2.479
786 H ILE 98 H ILE 98 -3.596 11.865 1.034
787 HA ILE 98 HA ILE 98 -1.073 11.699 2.407
788 HB ILE 98 HB ILE 98 -3.715 11.993 3.152
789 HG1 ILE 98 2HG1 ILE 98 -2.494 12.914 4.768
790 HG1 ILE 98 QG1 ILE 98 -2.494 12.914 4.768
791 1HG2 ILE 98 3HG2 ILE 98 -2.782 9.210 3.900
792 2HG2 ILE 98 1HG2 ILE 98 -4.148 10.064 4.656
793 3HG2 ILE 98 2HG2 ILE 98 -4.206 9.646 2.927
794 1HD1 ILE 98 3HD1 ILE 98 -2.094 10.014 5.637
795 2HD1 ILE 98 1HD1 ILE 98 -1.724 11.432 6.647
796 3HD1 ILE 98 2HD1 ILE 98 -3.402 11.105 6.154
797 H ILE 99 H ILE 99 -2.797 9.828 0.109
798 HA ILE 99 HA ILE 99 -1.338 7.429 0.976
799 HB ILE 99 HB ILE 99 -4.017 7.776 -0.337
800 HG1 ILE 99 2HG1 ILE 99 -4.724 6.236 1.465
801 HG1 ILE 99 QG1 ILE 99 -4.724 6.236 1.465
802 1HG2 ILE 99 1HG2 ILE 99 -2.159 5.416 -0.488
803 2HG2 ILE 99 2HG2 ILE 99 -3.925 5.192 -0.488
804 3HG2 ILE 99 3HG2 ILE 99 -3.151 6.164 -1.764
805 1HD1 ILE 99 3HD1 ILE 99 -2.283 5.306 1.719
806 2HD1 ILE 99 1HD1 ILE 99 -2.025 6.730 2.755
807 3HD1 ILE 99 2HD1 ILE 99 -3.266 5.528 3.186
808 H ARG 100 H ARG 100 -1.556 9.987 -1.283
809 HA ARG 100 HA ARG 100 -0.952 10.189 -3.403
810 HB ARG 100 2HB ARG 100 1.652 8.824 -2.859
811 HB ARG 100 QB ARG 100 1.652 8.824 -2.859
812 HG ARG 100 2HG ARG 100 1.303 11.798 -3.140
813 HG ARG 100 QG ARG 100 1.303 11.798 -3.140
814 HD ARG 100 2HD ARG 100 3.202 9.664 -4.201
815 HD ARG 100 QD ARG 100 3.202 9.664 -4.201
816 HE ARG 100 HE ARG 100 3.512 11.124 -5.992
817 1HH1 ARG 100 1HH2 ARG 100 3.060 14.566 -3.900
818 2HH1 ARG 100 2HH2 ARG 100 2.806 13.049 -3.103
819 HH2 ARG 100 1HH ARG 100 3.671 14.586 -6.217
820 H PHE 101 H PHE 101 -2.372 8.647 -4.496
821 HA PHE 101 HA PHE 101 -1.160 6.042 -5.031
822 HB PHE 101 2HB PHE 101 -3.899 6.902 -5.989
823 HB PHE 101 QB PHE 101 -3.899 6.902 -5.989
824 HD1 PHE 101 2HD PHE 101 -3.623 4.862 -7.380
825 HD2 PHE 101 1HD PHE 101 -3.548 4.696 -3.141
826 HE1 PHE 101 2HE PHE 101 -4.023 2.386 -7.470
827 HE2 PHE 101 1HE PHE 101 -3.948 2.220 -3.231
828 HZ PHE 101 HZ PHE 101 -4.180 1.095 -5.395
829 H GLU 102 H GLU 102 -1.795 5.198 -7.372
830 HA GLU 102 HA GLU 102 -1.594 7.370 -9.273
831 HB GLU 102 2HB GLU 102 0.192 5.052 -9.851
832 HB GLU 102 QB GLU 102 0.192 5.052 -9.851
833 HG GLU 102 2HG GLU 102 1.468 7.624 -9.959
834 HG GLU 102 QG GLU 102 1.468 7.624 -9.959
835 HE1 GLU 102 HE GLU 102 -0.267 6.851 -12.961
836 H GLN 103 H GLN 103 -0.813 5.045 -11.258
837 HA GLN 103 HA GLN 103 -3.194 3.463 -11.181
838 HB GLN 103 2HB GLN 103 -4.309 4.318 -13.022
839 HB GLN 103 QB GLN 103 -4.309 4.318 -13.022
840 HG GLN 103 2HG GLN 103 -2.707 6.687 -11.956
841 HG GLN 103 QG GLN 103 -2.707 6.687 -11.956
842 1HE2 GLN 103 2HE2 GLN 103 -5.861 7.096 -14.632
843 2HE2 GLN 103 1HE2 GLN 103 -5.701 5.698 -13.621
844 H SER 104 H SER 104 -1.820 1.641 -11.089
845 HA SER 104 HA SER 104 -0.386 0.141 -11.752
846 HB SER 104 2HB SER 104 -1.672 0.945 -14.381
847 HB SER 104 QB SER 104 -1.672 0.945 -14.381
848 HG SER 104 HG SER 104 0.511 -0.778 -13.953
849 H GLU 105 H GLU 105 -0.169 2.639 -14.400
850 HA GLU 105 HA GLU 105 2.293 2.366 -15.214
851 HB GLU 105 2HB GLU 105 0.844 4.944 -14.517
852 HB GLU 105 QB GLU 105 0.844 4.944 -14.517
853 HG GLU 105 2HG GLU 105 3.628 4.534 -15.479
854 HG GLU 105 QG GLU 105 3.628 4.534 -15.479
855 HE2 GLU 105 HE GLU 105 4.094 6.677 -17.701
856 H GLN 106 H GLN 106 1.365 3.485 -11.972
857 HA GLN 106 HA GLN 106 3.833 4.556 -11.265
858 HB GLN 106 2HB GLN 106 1.397 3.579 -9.796
859 HB GLN 106 QB GLN 106 1.397 3.579 -9.796
860 HG GLN 106 2HG GLN 106 4.149 4.008 -8.603
861 HG GLN 106 QG GLN 106 4.149 4.008 -8.603
862 1HE2 GLN 106 2HE2 GLN 106 2.511 6.612 -6.740
863 2HE2 GLN 106 1HE2 GLN 106 3.342 6.302 -8.228
864 H GLN 107 H GLN 107 2.997 1.376 -12.075
865 HA GLN 107 HA GLN 107 4.019 -0.296 -10.315
866 HB GLN 107 2HB GLN 107 4.372 -0.223 -13.329
867 HB GLN 107 QB GLN 107 4.372 -0.223 -13.329
868 HG GLN 107 2HG GLN 107 5.146 -2.452 -11.388
869 HG GLN 107 QG GLN 107 5.146 -2.452 -11.388
870 1HE2 GLN 107 2HE2 GLN 107 5.237 -3.153 -15.467
871 2HE2 GLN 107 1HE2 GLN 107 5.853 -1.694 -14.767
872 H ALA 108 H ALA 108 5.833 2.154 -12.112
873 HA ALA 108 HA ALA 108 8.383 1.012 -11.371
874 1HB ALA 108 2HB ALA 108 7.335 3.061 -13.208
875 2HB ALA 108 3HB ALA 108 8.833 3.552 -12.384
876 3HB ALA 108 1HB ALA 108 8.794 2.050 -13.338
877 H LEU 109 H LEU 109 6.197 3.722 -10.464
878 HA LEU 109 HA LEU 109 8.020 4.911 -8.672
879 HB LEU 109 2HB LEU 109 5.315 5.430 -7.932
880 HB LEU 109 QB LEU 109 5.315 5.430 -7.932
881 HG LEU 109 HG LEU 109 7.361 7.009 -9.500
882 1HD1 LEU 109 3HD1 LEU 109 5.029 7.559 -10.233
883 2HD1 LEU 109 1HD1 LEU 109 4.678 8.048 -8.558
884 3HD1 LEU 109 2HD1 LEU 109 5.918 8.913 -9.496
885 1HD2 LEU 109 3HD2 LEU 109 7.502 6.500 -6.938
886 2HD2 LEU 109 1HD2 LEU 109 7.826 8.141 -7.547
887 3HD2 LEU 109 2HD2 LEU 109 6.249 7.758 -6.816
888 H LEU 110 H LEU 110 5.799 2.161 -8.501
889 HA LEU 110 HA LEU 110 5.335 1.972 -5.824
890 HB LEU 110 2HB LEU 110 5.326 -0.512 -6.240
891 HB LEU 110 QB LEU 110 5.326 -0.512 -6.240
892 HG LEU 110 HG LEU 110 3.841 1.180 -8.270
893 1HD1 LEU 110 1HD1 LEU 110 4.174 -1.440 -8.582
894 2HD1 LEU 110 2HD1 LEU 110 2.842 -1.493 -7.403
895 3HD1 LEU 110 3HD1 LEU 110 2.632 -0.628 -8.944
896 1HD2 LEU 110 2HD2 LEU 110 3.557 0.952 -5.447
897 2HD2 LEU 110 3HD2 LEU 110 2.541 1.842 -6.604
898 3HD2 LEU 110 1HD2 LEU 110 2.164 0.148 -6.208
899 H THR 111 H THR 111 8.308 1.073 -7.652
900 HA THR 111 HA THR 111 9.662 -0.137 -5.540
901 HB THR 111 HB THR 111 10.139 0.799 -8.259
902 HG1 THR 111 1HG THR 111 11.811 -0.958 -7.850
903 1HG2 THR 111 2HG2 THR 111 12.437 1.132 -6.257
904 2HG2 THR 111 3HG2 THR 111 12.587 1.182 -8.030
905 3HG2 THR 111 1HG2 THR 111 11.688 2.459 -7.178
906 H LEU 112 H LEU 112 8.411 2.957 -5.575
907 HA LEU 112 HA LEU 112 8.636 4.321 -3.729
908 HB LEU 112 2HB LEU 112 10.555 2.574 -3.031
909 HB LEU 112 QB LEU 112 10.555 2.574 -3.031
910 HG LEU 112 HG LEU 112 12.070 4.594 -4.333
911 1HD1 LEU 112 2HD1 LEU 112 11.874 4.969 -1.391
912 2HD1 LEU 112 3HD1 LEU 112 13.501 5.032 -2.111
913 3HD1 LEU 112 1HD1 LEU 112 12.231 6.140 -2.684
914 1HD2 LEU 112 2HD2 LEU 112 12.508 2.071 -2.862
915 2HD2 LEU 112 3HD2 LEU 112 13.135 2.616 -4.436
916 3HD2 LEU 112 1HD2 LEU 112 13.905 3.172 -2.930
917 H GLY 113 H GLY 113 9.166 4.396 -6.764
918 1HA GLY 113 1HA GLY 113 9.517 6.064 -8.239
919 2HA GLY 113 2HA GLY 113 9.738 7.174 -6.901
920 H VAL 114 H VAL 114 11.819 4.594 -6.308
921 HA VAL 114 HA VAL 114 13.987 5.875 -7.821
922 HB VAL 114 HB VAL 114 14.261 4.682 -5.066
923 1HG1 VAL 114 2HG1 VAL 114 16.130 5.500 -6.989
924 2HG1 VAL 114 3HG1 VAL 114 16.091 6.818 -5.792
925 3HG1 VAL 114 1HG1 VAL 114 16.435 5.151 -5.270
926 1HG2 VAL 114 1HG2 VAL 114 13.395 7.442 -5.878
927 2HG2 VAL 114 2HG2 VAL 114 12.831 6.420 -4.535
928 3HG2 VAL 114 3HG2 VAL 114 14.413 7.230 -4.434
929 H ALA 115 H ALA 115 15.621 3.648 -6.253
930 HA ALA 115 HA ALA 115 16.597 1.810 -7.133
931 1HB ALA 115 1HB ALA 115 14.332 1.338 -5.609
932 2HB ALA 115 2HB ALA 115 14.065 0.305 -7.034
933 3HB ALA 115 3HB ALA 115 15.546 0.118 -6.062
934 H SER 116 H SER 116 15.778 3.579 -9.249
935 HA SER 116 HA SER 116 15.183 3.646 -11.357
936 HB SER 116 2HB SER 116 16.423 0.879 -11.591
937 HB SER 116 QB SER 116 16.423 0.879 -11.591
938 HG SER 116 HG SER 116 16.679 1.444 -13.639
No H/Q in entry = 795
Start of MODEL 17
1 H SER 1 H SER 1 -11.555 -15.076 -1.439
2 HA SER 1 HA SER 1 -10.336 -16.068 0.124
3 HB SER 1 2HB SER 1 -8.578 -17.810 -0.456
4 HB SER 1 QB SER 1 -8.578 -17.810 -0.456
5 HG SER 1 HG SER 1 -10.463 -18.833 -0.015
6 H LEU 2 H LEU 2 -9.591 -13.841 0.366
7 HA LEU 2 HA LEU 2 -7.838 -12.420 -0.993
8 HB LEU 2 2HB LEU 2 -8.009 -12.842 1.982
9 HB LEU 2 QB LEU 2 -8.009 -12.842 1.982
10 HG LEU 2 HG LEU 2 -5.859 -11.532 0.775
11 1HD1 LEU 2 1HD1 LEU 2 -8.042 -9.776 0.603
12 2HD1 LEU 2 2HD1 LEU 2 -7.077 -9.208 1.986
13 3HD1 LEU 2 3HD1 LEU 2 -6.316 -9.395 0.388
14 1HD2 LEU 2 2HD2 LEU 2 -6.537 -12.368 3.249
15 2HD2 LEU 2 3HD2 LEU 2 -5.140 -11.321 2.903
16 3HD2 LEU 2 1HD2 LEU 2 -6.670 -10.606 3.470
17 H GLY 3 H GLY 3 -5.669 -12.341 -1.532
18 1HA GLY 3 1HA GLY 3 -4.143 -14.778 -0.887
19 2HA GLY 3 2HA GLY 3 -3.910 -13.740 -2.278
20 H ILE 4 H ILE 4 -1.651 -13.441 -1.807
21 HA ILE 4 HA ILE 4 -0.980 -11.168 -0.486
22 HB ILE 4 HB ILE 4 -1.758 -12.887 1.455
23 HG1 ILE 4 2HG1 ILE 4 -0.209 -11.406 2.942
24 HG1 ILE 4 QG1 ILE 4 -0.209 -11.406 2.942
25 1HG2 ILE 4 2HG2 ILE 4 0.044 -14.472 1.009
26 2HG2 ILE 4 3HG2 ILE 4 1.252 -13.187 1.249
27 3HG2 ILE 4 1HG2 ILE 4 0.236 -13.719 2.611
28 1HD1 ILE 4 2HD1 ILE 4 1.291 -10.824 0.943
29 2HD1 ILE 4 3HD1 ILE 4 -0.073 -9.866 0.318
30 3HD1 ILE 4 1HD1 ILE 4 0.675 -9.438 1.875
31 H ASP 5 H ASP 5 1.189 -10.662 -0.885
32 HA ASP 5 HA ASP 5 2.949 -12.813 -1.571
33 HB ASP 5 2HB ASP 5 2.925 -10.675 -3.643
34 HB ASP 5 QB ASP 5 2.925 -10.675 -3.643
35 HD1 ASP 5 HD ASP 5 4.743 -11.592 -4.413
36 H MET 6 H MET 6 5.187 -12.103 -1.400
37 HA MET 6 HA MET 6 5.533 -9.271 -0.844
38 HB MET 6 2HB MET 6 7.048 -9.930 1.084
39 HB MET 6 QB MET 6 7.048 -9.930 1.084
40 HG MET 6 2HG MET 6 4.116 -10.639 1.038
41 HG MET 6 QG MET 6 4.116 -10.639 1.038
42 1HE MET 6 3HE MET 6 4.851 -12.955 1.161
43 2HE MET 6 1HE MET 6 5.506 -13.806 2.580
44 3HE MET 6 2HE MET 6 3.775 -13.400 2.507
45 H ASN 7 H ASN 7 7.587 -8.413 -1.439
46 HA ASN 7 HA ASN 7 9.502 -10.306 -2.474
47 HB ASN 7 2HB ASN 7 9.354 -8.081 -4.332
48 HB ASN 7 QB ASN 7 9.354 -8.081 -4.332
49 1HD2 ASN 7 2HD2 ASN 7 10.838 -10.868 -5.891
50 2HD2 ASN 7 1HD2 ASN 7 11.092 -9.424 -4.969
51 H VAL 8 H VAL 8 11.579 -8.926 -3.200
52 HA VAL 8 HA VAL 8 11.749 -6.458 -1.643
53 HB VAL 8 HB VAL 8 12.846 -8.957 -0.876
54 1HG1 VAL 8 1HG1 VAL 8 14.966 -6.944 -1.702
55 2HG1 VAL 8 2HG1 VAL 8 15.251 -8.393 -0.708
56 3HG1 VAL 8 3HG1 VAL 8 14.711 -8.563 -2.396
57 1HG2 VAL 8 2HG2 VAL 8 13.167 -6.121 0.144
58 2HG2 VAL 8 3HG2 VAL 8 12.049 -7.377 0.726
59 3HG2 VAL 8 1HG2 VAL 8 13.800 -7.548 0.997
60 H LYS 9 H LYS 9 13.166 -4.907 -2.524
61 HA LYS 9 HA LYS 9 14.774 -5.683 -4.797
62 HB LYS 9 2HB LYS 9 13.583 -4.742 -6.452
63 HB LYS 9 QB LYS 9 13.583 -4.742 -6.452
64 HG LYS 9 2HG LYS 9 11.032 -4.457 -5.750
65 HG LYS 9 QG LYS 9 11.032 -4.457 -5.750
66 HD LYS 9 2HD LYS 9 11.333 -7.208 -5.250
67 HD LYS 9 QD LYS 9 11.333 -7.208 -5.250
68 HE LYS 9 2HE LYS 9 10.901 -5.468 -7.668
69 HE LYS 9 QE LYS 9 10.901 -5.468 -7.668
70 1HZ LYS 9 1HZ LYS 9 10.663 -7.681 -8.899
71 2HZ LYS 9 2HZ LYS 9 12.186 -7.140 -8.694
72 H GLU 10 H GLU 10 16.689 -4.962 -3.983
73 HA GLU 10 HA GLU 10 18.218 -3.594 -3.277
74 HB GLU 10 2HB GLU 10 16.241 -1.578 -4.363
75 HB GLU 10 QB GLU 10 16.241 -1.578 -4.363
76 HG GLU 10 2HG GLU 10 18.537 -1.065 -2.542
77 HG GLU 10 QG GLU 10 18.537 -1.065 -2.542
78 HE1 GLU 10 HE GLU 10 18.637 -0.235 -6.160
79 H SER 11 H SER 11 14.921 -3.115 -2.072
80 HA SER 11 HA SER 11 15.471 -3.411 0.509
81 HB SER 11 2HB SER 11 16.597 -1.597 1.245
82 HB SER 11 QB SER 11 16.597 -1.597 1.245
83 HG SER 11 HG SER 11 15.951 -0.160 -1.182
84 H VAL 12 H VAL 12 13.582 -2.585 -2.117
85 HA VAL 12 HA VAL 12 11.308 -1.680 -0.533
86 HB VAL 12 HB VAL 12 11.994 -0.547 -2.652
87 1HG1 VAL 12 3HG1 VAL 12 12.306 -3.058 -3.677
88 2HG1 VAL 12 1HG1 VAL 12 10.714 -2.612 -4.336
89 3HG1 VAL 12 2HG1 VAL 12 12.130 -1.581 -4.654
90 1HG2 VAL 12 2HG2 VAL 12 9.705 -0.380 -1.726
91 2HG2 VAL 12 3HG2 VAL 12 9.724 -0.286 -3.503
92 3HG2 VAL 12 1HG2 VAL 12 9.224 -1.792 -2.697
93 H LEU 13 H LEU 13 9.908 -3.138 0.291
94 HA LEU 13 HA LEU 13 9.983 -5.832 -0.816
95 HB LEU 13 2HB LEU 13 9.828 -6.466 1.281
96 HB LEU 13 QB LEU 13 9.828 -6.466 1.281
97 HG LEU 13 HG LEU 13 10.025 -5.051 3.148
98 1HD1 LEU 13 2HD1 LEU 13 11.668 -4.716 0.931
99 2HD1 LEU 13 3HD1 LEU 13 11.328 -3.056 1.477
100 3HD1 LEU 13 1HD1 LEU 13 12.025 -4.239 2.609
101 1HD2 LEU 13 1HD2 LEU 13 8.485 -3.098 1.494
102 2HD2 LEU 13 2HD2 LEU 13 8.288 -3.569 3.199
103 3HD2 LEU 13 3HD2 LEU 13 9.606 -2.471 2.726
104 H CYS 14 H CYS 14 8.626 -6.204 -2.488
105 HA CYS 14 HA CYS 14 6.332 -4.572 -2.866
106 HB CYS 14 2HB CYS 14 6.178 -5.524 -4.944
107 HB CYS 14 QB CYS 14 6.178 -5.524 -4.944
108 HG CYS 14 HG CYS 14 8.690 -4.548 -4.246
109 H ILE 15 H ILE 15 4.264 -4.954 -2.104
110 HA ILE 15 HA ILE 15 3.809 -7.586 -0.880
111 HB ILE 15 HB ILE 15 3.187 -4.814 -0.020
112 HG1 ILE 15 2HG1 ILE 15 3.690 -7.311 1.613
113 HG1 ILE 15 QG1 ILE 15 3.690 -7.311 1.613
114 1HG2 ILE 15 2HG2 ILE 15 1.257 -7.092 0.155
115 2HG2 ILE 15 3HG2 ILE 15 1.414 -5.986 1.541
116 3HG2 ILE 15 1HG2 ILE 15 0.961 -5.350 -0.059
117 1HD1 ILE 15 2HD1 ILE 15 5.562 -5.506 0.096
118 2HD1 ILE 15 3HD1 ILE 15 6.045 -6.036 1.725
119 3HD1 ILE 15 1HD1 ILE 15 5.710 -7.242 0.460
120 H ARG 16 H ARG 16 3.030 -8.595 -2.779
121 HA ARG 16 HA ARG 16 0.869 -7.280 -4.131
122 HB ARG 16 2HB ARG 16 1.344 -10.043 -4.978
123 HB ARG 16 QB ARG 16 1.344 -10.043 -4.978
124 HG ARG 16 2HG ARG 16 1.099 -7.352 -6.101
125 HG ARG 16 QG ARG 16 1.099 -7.352 -6.101
126 HD ARG 16 2HD ARG 16 3.226 -9.200 -7.291
127 HD ARG 16 QD ARG 16 3.226 -9.200 -7.291
128 HE ARG 16 HE ARG 16 2.648 -6.600 -8.526
129 1HH1 ARG 16 2HH2 ARG 16 1.921 -10.067 -8.579
130 2HH1 ARG 16 1HH2 ARG 16 1.371 -10.053 -10.221
131 HH2 ARG 16 1HH ARG 16 1.380 -7.993 -11.445
132 H LEU 17 H LEU 17 -1.165 -7.461 -3.233
133 HA LEU 17 HA LEU 17 -1.823 -10.033 -1.974
134 HB LEU 17 2HB LEU 17 -2.511 -7.203 -1.281
135 HB LEU 17 QB LEU 17 -2.511 -7.203 -1.281
136 HG LEU 17 HG LEU 17 -4.061 -8.149 0.474
137 1HD1 LEU 17 2HD1 LEU 17 -4.651 -6.966 -1.799
138 2HD1 LEU 17 3HD1 LEU 17 -5.324 -8.562 -2.210
139 3HD1 LEU 17 1HD1 LEU 17 -5.925 -7.684 -0.782
140 1HD2 LEU 17 3HD2 LEU 17 -3.388 -10.610 -0.892
141 2HD2 LEU 17 1HD2 LEU 17 -4.243 -10.355 0.648
142 3HD2 LEU 17 2HD2 LEU 17 -5.148 -10.343 -0.885
143 H THR 18 H THR 18 -3.587 -11.162 -2.717
144 HA THR 18 HA THR 18 -5.207 -9.809 -4.771
145 HB THR 18 HB THR 18 -5.218 -12.306 -5.717
146 HG1 THR 18 1HG THR 18 -3.658 -13.510 -4.697
147 1HG2 THR 18 2HG2 THR 18 -2.878 -10.349 -5.895
148 2HG2 THR 18 3HG2 THR 18 -2.921 -11.861 -6.835
149 3HG2 THR 18 1HG2 THR 18 -4.167 -10.617 -7.093
150 H GLY 19 H GLY 19 -7.231 -9.562 -4.088
151 1HA GLY 19 1HA GLY 19 -8.996 -11.505 -3.473
152 2HA GLY 19 2HA GLY 19 -8.235 -11.197 -1.925
153 H GLU 20 H GLU 20 -9.353 -9.777 -0.671
154 HA GLU 20 HA GLU 20 -10.631 -7.563 -2.077
155 HB GLU 20 2HB GLU 20 -12.104 -7.904 0.272
156 HB GLU 20 QB GLU 20 -12.104 -7.904 0.272
157 HG GLU 20 2HG GLU 20 -12.473 -8.516 -2.642
158 HG GLU 20 QG GLU 20 -12.473 -8.516 -2.642
159 HE2 GLU 20 HE GLU 20 -15.571 -8.515 -1.482
160 H LEU 21 H LEU 21 -10.959 -5.584 -0.659
161 HA LEU 21 HA LEU 21 -8.826 -5.453 1.358
162 HB LEU 21 2HB LEU 21 -9.126 -2.883 0.513
163 HB LEU 21 QB LEU 21 -9.126 -2.883 0.513
164 HG LEU 21 HG LEU 21 -6.922 -3.396 0.538
165 1HD1 LEU 21 2HD1 LEU 21 -7.728 -6.076 -0.567
166 2HD1 LEU 21 3HD1 LEU 21 -6.024 -5.559 -0.558
167 3HD1 LEU 21 1HD1 LEU 21 -6.927 -5.679 0.972
168 1HD2 LEU 21 1HD2 LEU 21 -7.895 -3.369 -2.250
169 2HD2 LEU 21 2HD2 LEU 21 -6.671 -2.360 -1.442
170 3HD2 LEU 21 3HD2 LEU 21 -6.241 -3.987 -2.022
171 H ASP 22 H ASP 22 -10.085 -5.847 3.180
172 HA ASP 22 HA ASP 22 -11.993 -3.729 3.714
173 HB ASP 22 2HB ASP 22 -13.686 -5.216 4.470
174 HB ASP 22 QB ASP 22 -13.686 -5.216 4.470
175 HD2 ASP 22 HD ASP 22 -14.787 -7.113 3.314
176 H HIS 23 H HIS 23 -12.629 -3.977 6.254
177 HA HIS 23 HA HIS 23 -10.287 -3.691 7.691
178 HB HIS 23 2HB HIS 23 -12.764 -2.944 8.137
179 HB HIS 23 QB HIS 23 -12.764 -2.944 8.137
180 HD1 HIS 23 1HD HIS 23 -12.282 -4.821 11.259
181 HD2 HIS 23 2HD HIS 23 -14.606 -5.221 7.789
182 HE1 HIS 23 1HE HIS 23 -14.130 -6.488 11.824
183 H HIS 24 H HIS 24 -11.840 -6.540 6.542
184 HA HIS 24 HA HIS 24 -10.646 -8.159 8.646
185 HB HIS 24 2HB HIS 24 -11.894 -9.998 7.258
186 HB HIS 24 QB HIS 24 -11.894 -9.998 7.258
187 HD1 HIS 24 1HD HIS 24 -11.901 -9.780 10.120
188 HD2 HIS 24 2HD HIS 24 -15.017 -8.049 7.907
189 HE1 HIS 24 1HE HIS 24 -13.851 -9.485 11.740
190 H THR 25 H THR 25 -10.509 -7.444 5.135
191 HA THR 25 HA THR 25 -8.453 -9.435 4.718
192 HB THR 25 HB THR 25 -8.951 -9.075 2.472
193 HG1 THR 25 1HG THR 25 -8.065 -6.907 2.494
194 1HG2 THR 25 2HG2 THR 25 -11.231 -9.022 3.898
195 2HG2 THR 25 3HG2 THR 25 -11.270 -7.334 3.335
196 3HG2 THR 25 1HG2 THR 25 -11.244 -8.666 2.154
197 H ALA 26 H ALA 26 -8.712 -5.961 5.383
198 HA ALA 26 HA ALA 26 -6.068 -5.354 4.562
199 1HB ALA 26 2HB ALA 26 -8.326 -3.932 5.211
200 2HB ALA 26 3HB ALA 26 -7.328 -3.691 6.665
201 3HB ALA 26 1HB ALA 26 -6.697 -3.230 5.067
202 H GLU 27 H GLU 27 -7.605 -6.593 7.531
203 HA GLU 27 HA GLU 27 -5.624 -6.009 9.319
204 HB GLU 27 2HB GLU 27 -6.699 -8.647 9.860
205 HB GLU 27 QB GLU 27 -6.699 -8.647 9.860
206 HG GLU 27 2HG GLU 27 -7.792 -6.054 10.977
207 HG GLU 27 QG GLU 27 -7.792 -6.054 10.977
208 HE2 GLU 27 HE GLU 27 -9.176 -8.395 13.094
209 H THR 28 H THR 28 -6.010 -8.957 7.233
210 HA THR 28 HA THR 28 -3.878 -10.423 8.057
211 HB THR 28 HB THR 28 -5.425 -10.017 5.525
212 HG1 THR 28 1HG THR 28 -4.349 -12.229 7.131
213 1HG2 THR 28 3HG2 THR 28 -2.621 -11.171 5.624
214 2HG2 THR 28 1HG2 THR 28 -3.851 -11.974 4.619
215 3HG2 THR 28 2HG2 THR 28 -3.416 -10.276 4.306
216 H LEU 29 H LEU 29 -3.789 -7.654 5.735
217 HA LEU 29 HA LEU 29 -1.003 -7.886 5.329
218 HB LEU 29 2HB LEU 29 -2.325 -5.269 4.947
219 HB LEU 29 QB LEU 29 -2.325 -5.269 4.947
220 HG LEU 29 HG LEU 29 -0.235 -5.530 3.834
221 1HD1 LEU 29 1HD1 LEU 29 -1.175 -8.267 3.387
222 2HD1 LEU 29 2HD1 LEU 29 -0.413 -7.536 1.955
223 3HD1 LEU 29 3HD1 LEU 29 0.479 -7.618 3.492
224 1HD2 LEU 29 1HD2 LEU 29 -1.939 -4.358 2.553
225 2HD2 LEU 29 2HD2 LEU 29 -0.857 -5.267 1.471
226 3HD2 LEU 29 3HD2 LEU 29 -2.482 -5.892 1.833
227 H LYS 30 H LYS 30 -3.063 -6.354 7.774
228 HA LYS 30 HA LYS 30 -1.462 -4.423 8.788
229 HB LYS 30 2HB LYS 30 -2.953 -6.376 10.546
230 HB LYS 30 QB LYS 30 -2.953 -6.376 10.546
231 HG LYS 30 2HG LYS 30 -1.573 -4.140 11.236
232 HG LYS 30 QG LYS 30 -1.573 -4.140 11.236
233 HD LYS 30 2HD LYS 30 -3.887 -2.606 11.523
234 HD LYS 30 QD LYS 30 -3.887 -2.606 11.523
235 HE LYS 30 2HE LYS 30 -2.171 -2.073 9.119
236 HE LYS 30 QE LYS 30 -2.171 -2.073 9.119
237 1HZ LYS 30 1HZ LYS 30 -3.574 -0.616 11.120
238 2HZ LYS 30 2HZ LYS 30 -2.031 -0.100 11.044
239 H GLN 31 H GLN 31 -1.189 -7.984 9.292
240 HA GLN 31 HA GLN 31 0.982 -7.690 11.070
241 HB GLN 31 2HB GLN 31 -0.642 -9.663 10.922
242 HB GLN 31 QB GLN 31 -0.642 -9.663 10.922
243 HG GLN 31 2HG GLN 31 1.178 -11.010 8.995
244 HG GLN 31 QG GLN 31 1.178 -11.010 8.995
245 1HE2 GLN 31 2HE2 GLN 31 -2.931 -11.359 9.499
246 2HE2 GLN 31 1HE2 GLN 31 -2.118 -9.840 9.671
247 H LYS 32 H LYS 32 0.579 -8.011 7.550
248 HA LYS 32 HA LYS 32 3.280 -8.708 7.033
249 HB LYS 32 2HB LYS 32 0.927 -7.818 5.388
250 HB LYS 32 QB LYS 32 0.927 -7.818 5.388
251 HG LYS 32 2HG LYS 32 2.797 -6.681 4.306
252 HG LYS 32 QG LYS 32 2.797 -6.681 4.306
253 HD LYS 32 2HD LYS 32 4.329 -9.267 4.031
254 HD LYS 32 QD LYS 32 4.329 -9.267 4.031
255 HE LYS 32 2HE LYS 32 4.802 -6.319 3.774
256 HE LYS 32 QE LYS 32 4.802 -6.319 3.774
257 1HZ LYS 32 1HZ LYS 32 7.128 -6.564 4.253
258 2HZ LYS 32 2HZ LYS 32 6.339 -7.087 5.578
259 H VAL 33 H VAL 33 1.675 -5.805 8.013
260 HA VAL 33 HA VAL 33 3.646 -4.078 6.788
261 HB VAL 33 HB VAL 33 1.575 -3.279 8.812
262 1HG1 VAL 33 3HG1 VAL 33 3.468 -1.902 7.212
263 2HG1 VAL 33 1HG1 VAL 33 1.861 -1.533 6.542
264 3HG1 VAL 33 2HG1 VAL 33 2.204 -1.213 8.259
265 1HG2 VAL 33 3HG2 VAL 33 1.088 -4.490 6.196
266 2HG2 VAL 33 1HG2 VAL 33 -0.047 -4.119 7.516
267 3HG2 VAL 33 2HG2 VAL 33 0.388 -2.860 6.335
268 H THR 34 H THR 34 2.651 -5.233 10.069
269 HA THR 34 HA THR 34 4.345 -3.809 11.638
270 HB THR 34 HB THR 34 2.606 -5.505 12.343
271 HG1 THR 34 1HG THR 34 3.841 -5.570 14.190
272 1HG2 THR 34 3HG2 THR 34 4.430 -7.305 10.912
273 2HG2 THR 34 1HG2 THR 34 4.262 -7.795 12.615
274 3HG2 THR 34 2HG2 THR 34 2.819 -7.653 11.583
275 H GLN 35 H GLN 35 5.196 -6.381 9.344
276 HA GLN 35 HA GLN 35 7.748 -6.817 10.402
277 HB GLN 35 2HB GLN 35 8.151 -7.746 7.999
278 HB GLN 35 QB GLN 35 8.151 -7.746 7.999
279 HG GLN 35 2HG GLN 35 5.981 -8.697 9.903
280 HG GLN 35 QG GLN 35 5.981 -8.697 9.903
281 1HE2 GLN 35 2HE2 GLN 35 4.962 -10.026 6.594
282 2HE2 GLN 35 1HE2 GLN 35 5.074 -8.479 7.364
283 H SER 36 H SER 36 6.470 -4.707 7.755
284 HA SER 36 HA SER 36 9.072 -3.705 7.202
285 HB SER 36 2HB SER 36 6.586 -2.274 6.290
286 HB SER 36 QB SER 36 6.586 -2.274 6.290
287 HG SER 36 HG SER 36 8.027 -1.596 4.873
288 H LEU 37 H LEU 37 6.393 -2.950 9.355
289 HA LEU 37 HA LEU 37 6.723 -0.234 9.704
290 HB LEU 37 2HB LEU 37 6.125 -1.495 12.201
291 HB LEU 37 QB LEU 37 6.125 -1.495 12.201
292 HG LEU 37 HG LEU 37 3.954 -0.579 11.978
293 1HD1 LEU 37 1HD1 LEU 37 6.278 1.017 11.259
294 2HD1 LEU 37 2HD1 LEU 37 4.765 1.715 10.633
295 3HD1 LEU 37 3HD1 LEU 37 4.938 1.378 12.373
296 1HD2 LEU 37 3HD2 LEU 37 3.900 -1.482 9.459
297 2HD2 LEU 37 1HD2 LEU 37 2.775 -0.245 10.070
298 3HD2 LEU 37 2HD2 LEU 37 4.208 0.240 9.132
299 H GLU 38 H GLU 38 8.671 -2.986 10.848
300 HA GLU 38 HA GLU 38 10.767 -1.186 11.465
301 HB GLU 38 2HB GLU 38 10.715 -2.610 13.883
302 HB GLU 38 QB GLU 38 10.715 -2.610 13.883
303 HG GLU 38 2HG GLU 38 10.106 -0.369 14.864
304 HG GLU 38 QG GLU 38 10.106 -0.369 14.864
305 HE2 GLU 38 HE GLU 38 12.613 1.477 14.170
306 H LYS 39 H LYS 39 11.302 -2.709 9.572
307 HA LYS 39 HA LYS 39 11.764 -5.446 10.203
308 HB LYS 39 2HB LYS 39 11.313 -4.161 7.907
309 HB LYS 39 QB LYS 39 11.313 -4.161 7.907
310 HG LYS 39 2HG LYS 39 14.345 -4.350 8.179
311 HG LYS 39 QG LYS 39 14.345 -4.350 8.179
312 HD LYS 39 2HD LYS 39 14.246 -3.628 5.697
313 HD LYS 39 QD LYS 39 14.246 -3.628 5.697
314 HE LYS 39 2HE LYS 39 13.175 -6.440 6.085
315 HE LYS 39 QE LYS 39 13.175 -6.440 6.085
316 1HZ LYS 39 1HZ LYS 39 15.579 -6.090 4.616
317 2HZ LYS 39 2HZ LYS 39 14.158 -6.690 4.094
318 H ASP 40 H ASP 40 13.820 -2.492 9.841
319 HA ASP 40 HA ASP 40 15.520 -3.209 11.856
320 HB ASP 40 2HB ASP 40 17.559 -3.579 10.099
321 HB ASP 40 QB ASP 40 17.559 -3.579 10.099
322 HD2 ASP 40 HD ASP 40 17.371 -7.085 10.460
323 H ASP 41 H ASP 41 16.845 -2.328 8.634
324 HA ASP 41 HA ASP 41 17.645 0.190 9.616
325 HB ASP 41 2HB ASP 41 17.629 -0.942 6.778
326 HB ASP 41 QB ASP 41 17.629 -0.942 6.778
327 HD2 ASP 41 HD ASP 41 18.892 1.821 5.493
328 H ILE 42 H ILE 42 16.752 0.552 6.335
329 HA ILE 42 HA ILE 42 14.044 1.431 6.875
330 HB ILE 42 HB ILE 42 16.337 3.242 6.558
331 HG1 ILE 42 2HG1 ILE 42 14.628 4.802 7.623
332 HG1 ILE 42 QG1 ILE 42 14.628 4.802 7.623
333 1HG2 ILE 42 3HG2 ILE 42 13.977 3.384 4.728
334 2HG2 ILE 42 1HG2 ILE 42 14.641 4.896 5.394
335 3HG2 ILE 42 2HG2 ILE 42 15.682 3.810 4.441
336 1HD1 ILE 42 2HD1 ILE 42 12.786 2.917 6.821
337 2HD1 ILE 42 3HD1 ILE 42 13.082 2.423 8.505
338 3HD1 ILE 42 1HD1 ILE 42 12.523 4.075 8.148
339 H ARG 43 H ARG 43 13.430 -0.298 5.493
340 HA ARG 43 HA ARG 43 14.585 -0.365 2.887
341 HB ARG 43 2HB ARG 43 12.382 -2.068 2.813
342 HB ARG 43 QB ARG 43 12.382 -2.068 2.813
343 HG ARG 43 2HG ARG 43 14.457 -3.001 2.203
344 HG ARG 43 QG ARG 43 14.457 -3.001 2.203
345 HD ARG 43 2HD ARG 43 15.428 -1.514 4.589
346 HD ARG 43 QD ARG 43 15.428 -1.514 4.589
347 HE ARG 43 HE ARG 43 16.362 -3.475 5.491
348 1HH1 ARG 43 2HH2 ARG 43 16.796 -3.482 1.975
349 2HH1 ARG 43 1HH2 ARG 43 17.856 -4.852 1.984
350 HH2 ARG 43 1HH ARG 43 18.408 -5.895 4.070
351 H HIS 44 H HIS 44 12.311 -1.070 1.296
352 HA HIS 44 HA HIS 44 10.689 1.362 1.451
353 HB HIS 44 2HB HIS 44 10.703 1.258 -1.107
354 HB HIS 44 QB HIS 44 10.703 1.258 -1.107
355 HD1 HIS 44 1HD HIS 44 11.403 3.372 1.033
356 HD2 HIS 44 2HD HIS 44 14.186 1.748 -1.653
357 HE1 HIS 44 1HE HIS 44 13.302 5.068 0.857
358 H ILE 45 H ILE 45 8.536 1.145 0.379
359 HA ILE 45 HA ILE 45 7.627 -1.634 0.609
360 HB ILE 45 HB ILE 45 5.667 -0.901 1.484
361 HG1 ILE 45 2HG1 ILE 45 4.989 1.629 1.183
362 HG1 ILE 45 QG1 ILE 45 4.989 1.629 1.183
363 1HG2 ILE 45 1HG2 ILE 45 7.530 -0.248 2.973
364 2HG2 ILE 45 2HG2 ILE 45 7.501 1.383 2.262
365 3HG2 ILE 45 3HG2 ILE 45 6.092 0.782 3.168
366 1HD1 ILE 45 1HD1 ILE 45 7.331 1.510 -0.416
367 2HD1 ILE 45 2HD1 ILE 45 5.966 1.489 -1.556
368 3HD1 ILE 45 3HD1 ILE 45 6.121 2.815 -0.379
369 H VAL 46 H VAL 46 5.818 -2.261 -0.903
370 HA VAL 46 HA VAL 46 5.565 -0.724 -3.304
371 HB VAL 46 HB VAL 46 7.457 -2.989 -3.104
372 1HG1 VAL 46 3HG1 VAL 46 5.583 -4.002 -4.376
373 2HG1 VAL 46 1HG1 VAL 46 5.689 -2.671 -5.552
374 3HG1 VAL 46 2HG1 VAL 46 7.052 -3.800 -5.360
375 1HG2 VAL 46 3HG2 VAL 46 7.840 -0.459 -3.700
376 2HG2 VAL 46 1HG2 VAL 46 8.744 -1.729 -4.557
377 3HG2 VAL 46 2HG2 VAL 46 7.330 -0.970 -5.326
378 H LEU 47 H LEU 47 3.350 -0.800 -2.581
379 HA LEU 47 HA LEU 47 2.136 -3.408 -2.341
380 HB LEU 47 2HB LEU 47 0.281 -2.317 -1.508
381 HB LEU 47 QB LEU 47 0.281 -2.317 -1.508
382 HG LEU 47 HG LEU 47 2.620 -0.519 -0.835
383 1HD1 LEU 47 1HD1 LEU 47 -0.229 -0.170 -0.272
384 2HD1 LEU 47 2HD1 LEU 47 0.781 -0.192 1.193
385 3HD1 LEU 47 3HD1 LEU 47 1.126 0.972 -0.109
386 1HD2 LEU 47 3HD2 LEU 47 1.869 -3.131 0.005
387 2HD2 LEU 47 1HD2 LEU 47 3.213 -2.116 0.581
388 3HD2 LEU 47 2HD2 LEU 47 1.622 -2.023 1.376
389 H ASN 48 H ASN 48 0.331 -4.114 -3.692
390 HA ASN 48 HA ASN 48 -0.412 -2.759 -5.975
391 HB ASN 48 2HB ASN 48 1.623 -3.118 -7.109
392 HB ASN 48 QB ASN 48 1.623 -3.118 -7.109
393 1HD2 ASN 48 2HD2 ASN 48 4.179 -5.442 -6.420
394 2HD2 ASN 48 1HD2 ASN 48 3.521 -4.320 -7.563
395 H LEU 49 H LEU 49 -2.506 -3.606 -5.865
396 HA LEU 49 HA LEU 49 -2.738 -6.507 -5.477
397 HB LEU 49 2HB LEU 49 -3.856 -4.399 -4.042
398 HB LEU 49 QB LEU 49 -3.856 -4.399 -4.042
399 HG LEU 49 HG LEU 49 -5.828 -5.484 -5.999
400 1HD1 LEU 49 2HD1 LEU 49 -6.139 -6.048 -3.259
401 2HD1 LEU 49 3HD1 LEU 49 -7.221 -4.677 -3.608
402 3HD1 LEU 49 1HD1 LEU 49 -7.357 -6.180 -4.551
403 1HD2 LEU 49 2HD2 LEU 49 -5.165 -2.896 -4.698
404 2HD2 LEU 49 3HD2 LEU 49 -5.652 -3.258 -6.372
405 3HD2 LEU 49 1HD2 LEU 49 -6.878 -3.192 -5.083
406 H GLU 50 H GLU 50 -3.197 -7.624 -7.287
407 HA GLU 50 HA GLU 50 -4.229 -6.157 -9.530
408 HB GLU 50 2HB GLU 50 -3.944 -9.032 -9.962
409 HB GLU 50 QB GLU 50 -3.944 -9.032 -9.962
410 HG GLU 50 2HG GLU 50 -2.010 -8.027 -11.450
411 HG GLU 50 QG GLU 50 -2.010 -8.027 -11.450
412 HE2 GLU 50 HE GLU 50 -4.978 -6.070 -12.104
413 H ASP 51 H ASP 51 -5.378 -8.185 -6.943
414 HA ASP 51 HA ASP 51 -7.786 -8.791 -8.446
415 HB ASP 51 2HB ASP 51 -6.630 -9.822 -5.823
416 HB ASP 51 QB ASP 51 -6.630 -9.822 -5.823
417 HD2 ASP 51 HD ASP 51 -8.153 -12.288 -6.222
418 H LEU 52 H LEU 52 -8.107 -6.263 -8.166
419 HA LEU 52 HA LEU 52 -8.896 -5.496 -5.491
420 HB LEU 52 2HB LEU 52 -8.806 -3.970 -8.095
421 HB LEU 52 QB LEU 52 -8.806 -3.970 -8.095
422 HG LEU 52 HG LEU 52 -8.672 -1.962 -6.545
423 1HD1 LEU 52 1HD1 LEU 52 -10.761 -3.046 -7.900
424 2HD1 LEU 52 2HD1 LEU 52 -11.435 -2.962 -6.255
425 3HD1 LEU 52 3HD1 LEU 52 -10.814 -1.489 -7.039
426 1HD2 LEU 52 3HD2 LEU 52 -8.617 -3.793 -4.531
427 2HD2 LEU 52 1HD2 LEU 52 -9.067 -2.081 -4.339
428 3HD2 LEU 52 2HD2 LEU 52 -10.333 -3.319 -4.522
429 H SER 53 H SER 53 -10.847 -6.173 -4.773
430 HA SER 53 HA SER 53 -12.987 -6.198 -6.753
431 HB SER 53 2HB SER 53 -12.250 -8.017 -4.517
432 HB SER 53 QB SER 53 -12.250 -8.017 -4.517
433 HG SER 53 HG SER 53 -14.371 -8.575 -4.000
434 H PHE 54 H PHE 54 -13.181 -6.334 -3.155
435 HA PHE 54 HA PHE 54 -15.183 -4.345 -3.116
436 HB PHE 54 2HB PHE 54 -13.358 -5.608 -0.984
437 HB PHE 54 QB PHE 54 -13.358 -5.608 -0.984
438 HD1 PHE 54 2HD PHE 54 -16.887 -4.402 -1.275
439 HD2 PHE 54 1HD PHE 54 -13.301 -4.437 0.993
440 HE1 PHE 54 2HE PHE 54 -18.007 -3.044 0.515
441 HE2 PHE 54 1HE PHE 54 -14.420 -3.080 2.783
442 HZ PHE 54 HZ PHE 54 -16.759 -2.399 2.524
443 H MET 55 H MET 55 -12.143 -4.277 -1.156
444 HA MET 55 HA MET 55 -10.949 -2.581 -0.463
445 HB MET 55 2HB MET 55 -11.203 -1.982 -3.455
446 HB MET 55 QB MET 55 -11.203 -1.982 -3.455
447 HG MET 55 2HG MET 55 -10.521 0.105 -2.257
448 HG MET 55 QG MET 55 -10.521 0.105 -2.257
449 1HE MET 55 2HE MET 55 -10.784 0.022 0.043
450 2HE MET 55 3HE MET 55 -10.457 -1.647 0.568
451 3HE MET 55 1HE MET 55 -9.538 -0.296 1.273
452 H ASP 56 H ASP 56 -12.474 -1.545 0.945
453 HA ASP 56 HA ASP 56 -13.715 0.800 -0.265
454 HB ASP 56 2HB ASP 56 -14.599 -0.300 2.403
455 HB ASP 56 QB ASP 56 -14.599 -0.300 2.403
456 HD2 ASP 56 HD ASP 56 -17.812 0.996 1.494
457 H SER 57 H SER 57 -14.408 1.732 2.564
458 HA SER 57 HA SER 57 -11.826 2.882 3.111
459 HB SER 57 2HB SER 57 -13.881 3.797 4.926
460 HB SER 57 QB SER 57 -13.881 3.797 4.926
461 HG SER 57 HG SER 57 -13.393 5.783 3.999
462 H SER 58 H SER 58 -12.387 0.010 3.718
463 HA SER 58 HA SER 58 -12.557 0.038 6.600
464 HB SER 58 2HB SER 58 -13.228 -2.159 6.457
465 HB SER 58 QB SER 58 -13.228 -2.159 6.457
466 HG SER 58 HG SER 58 -14.259 -0.778 4.558
467 H GLY 59 H GLY 59 -10.319 -0.685 3.887
468 1HA GLY 59 1HA GLY 59 -8.183 -1.324 5.812
469 2HA GLY 59 2HA GLY 59 -8.200 -1.709 4.102
470 H LEU 60 H LEU 60 -9.492 1.265 3.943
471 HA LEU 60 HA LEU 60 -7.303 2.505 2.878
472 HB LEU 60 2HB LEU 60 -9.359 4.149 4.275
473 HB LEU 60 QB LEU 60 -9.359 4.149 4.275
474 HG LEU 60 HG LEU 60 -7.582 4.707 2.241
475 1HD1 LEU 60 2HD1 LEU 60 -10.276 4.087 1.004
476 2HD1 LEU 60 3HD1 LEU 60 -9.008 5.065 0.226
477 3HD1 LEU 60 1HD1 LEU 60 -8.703 3.353 0.608
478 1HD2 LEU 60 3HD2 LEU 60 -10.226 6.050 2.869
479 2HD2 LEU 60 1HD2 LEU 60 -8.661 6.348 3.662
480 3HD2 LEU 60 2HD2 LEU 60 -8.887 6.779 1.949
481 H GLY 61 H GLY 61 -8.622 2.900 6.241
482 1HA GLY 61 1HA GLY 61 -6.631 4.621 7.166
483 2HA GLY 61 2HA GLY 61 -7.629 3.562 8.145
484 H VAL 62 H VAL 62 -6.701 1.068 6.736
485 HA VAL 62 HA VAL 62 -4.482 0.547 8.404
486 HB VAL 62 HB VAL 62 -6.396 -0.881 6.922
487 1HG1 VAL 62 1HG1 VAL 62 -3.565 -1.516 6.037
488 2HG1 VAL 62 2HG1 VAL 62 -4.934 -2.640 5.863
489 3HG1 VAL 62 3HG1 VAL 62 -4.957 -1.075 5.017
490 1HG2 VAL 62 3HG2 VAL 62 -4.321 -1.423 8.978
491 2HG2 VAL 62 1HG2 VAL 62 -6.066 -1.777 8.981
492 3HG2 VAL 62 2HG2 VAL 62 -4.944 -2.837 8.095
493 H ILE 63 H ILE 63 -4.867 1.929 5.223
494 HA ILE 63 HA ILE 63 -2.050 1.394 4.629
495 HB ILE 63 HB ILE 63 -4.465 2.008 2.983
496 HG1 ILE 63 2HG1 ILE 63 -2.649 -0.210 3.403
497 HG1 ILE 63 QG1 ILE 63 -2.649 -0.210 3.403
498 1HG2 ILE 63 2HG2 ILE 63 -1.708 2.977 2.453
499 2HG2 ILE 63 3HG2 ILE 63 -2.568 2.212 1.096
500 3HG2 ILE 63 1HG2 ILE 63 -3.281 3.618 1.922
501 1HD1 ILE 63 2HD1 ILE 63 -5.379 0.287 2.867
502 2HD1 ILE 63 3HD1 ILE 63 -4.779 -0.595 1.442
503 3HD1 ILE 63 1HD1 ILE 63 -4.604 -1.304 3.064
504 H LEU 64 H LEU 64 -4.495 3.951 5.198
505 HA LEU 64 HA LEU 64 -2.687 6.069 4.628
506 HB LEU 64 2HB LEU 64 -5.169 6.293 6.305
507 HB LEU 64 QB LEU 64 -5.169 6.293 6.305
508 HG LEU 64 HG LEU 64 -3.601 8.122 4.565
509 1HD1 LEU 64 3HD1 LEU 64 -6.445 7.652 4.125
510 2HD1 LEU 64 1HD1 LEU 64 -6.089 9.339 4.566
511 3HD1 LEU 64 2HD1 LEU 64 -5.273 8.593 3.172
512 1HD2 LEU 64 3HD2 LEU 64 -3.765 8.270 7.071
513 2HD2 LEU 64 1HD2 LEU 64 -4.198 9.756 6.191
514 3HD2 LEU 64 2HD2 LEU 64 -5.476 8.717 6.864
515 H GLY 65 H GLY 65 -3.664 4.209 7.529
516 1HA GLY 65 1HA GLY 65 -2.408 5.912 9.419
517 2HA GLY 65 2HA GLY 65 -2.914 4.251 9.653
518 H ARG 66 H ARG 66 -1.147 3.802 6.984
519 HA ARG 66 HA ARG 66 1.206 3.239 8.557
520 HB ARG 66 2HB ARG 66 1.445 2.309 5.827
521 HB ARG 66 QB ARG 66 1.445 2.309 5.827
522 HG ARG 66 2HG ARG 66 1.968 1.350 8.364
523 HG ARG 66 QG ARG 66 1.968 1.350 8.364
524 HD ARG 66 2HD ARG 66 0.189 -0.821 7.458
525 HD ARG 66 QD ARG 66 0.189 -0.821 7.458
526 HE ARG 66 HE ARG 66 0.838 -1.123 9.696
527 1HH1 ARG 66 2HH2 ARG 66 -0.498 2.134 9.301
528 2HH1 ARG 66 1HH2 ARG 66 -0.524 2.464 11.001
529 HH2 ARG 66 1HH ARG 66 0.247 0.791 12.533
530 H TYR 67 H TYR 67 0.098 4.961 5.588
531 HA TYR 67 HA TYR 67 2.424 5.709 4.438
532 HB TYR 67 2HB TYR 67 0.331 7.827 4.999
533 HB TYR 67 QB TYR 67 0.331 7.827 4.999
534 HD1 TYR 67 2HD TYR 67 1.925 9.244 3.714
535 HD2 TYR 67 1HD TYR 67 0.145 5.747 2.008
536 HE1 TYR 67 2HE TYR 67 2.568 10.042 1.387
537 HE2 TYR 67 1HE TYR 67 0.796 6.557 -0.312
538 HH TYR 67 HH TYR 67 2.628 8.076 -1.239
539 H LYS 68 H LYS 68 0.892 7.175 7.362
540 HA LYS 68 HA LYS 68 2.909 9.185 7.555
541 HB LYS 68 2HB LYS 68 1.716 9.963 9.415
542 HB LYS 68 QB LYS 68 1.716 9.963 9.415
543 HG LYS 68 2HG LYS 68 -0.776 8.842 8.514
544 HG LYS 68 QG LYS 68 -0.776 8.842 8.514
545 HD LYS 68 2HD LYS 68 -1.083 11.093 7.534
546 HD LYS 68 QD LYS 68 -1.083 11.093 7.534
547 HE LYS 68 2HE LYS 68 0.066 12.377 9.667
548 HE LYS 68 QE LYS 68 0.066 12.377 9.667
549 1HZ LYS 68 1HZ LYS 68 -2.008 11.532 10.874
550 2HZ LYS 68 2HZ LYS 68 -2.268 12.311 9.468
551 H GLN 69 H GLN 69 2.473 5.850 8.614
552 HA GLN 69 HA GLN 69 4.387 6.029 10.688
553 HB GLN 69 2HB GLN 69 4.009 3.336 9.611
554 HB GLN 69 QB GLN 69 4.009 3.336 9.611
555 HG GLN 69 2HG GLN 69 3.699 4.847 12.166
556 HG GLN 69 QG GLN 69 3.699 4.847 12.166
557 1HE2 GLN 69 2HE2 GLN 69 1.662 2.032 13.652
558 2HE2 GLN 69 1HE2 GLN 69 3.339 2.464 13.688
559 H ILE 70 H ILE 70 4.375 4.896 7.256
560 HA ILE 70 HA ILE 70 6.964 3.891 7.223
561 HB ILE 70 HB ILE 70 5.139 3.577 5.535
562 HG1 ILE 70 2HG1 ILE 70 7.821 4.417 4.398
563 HG1 ILE 70 QG1 ILE 70 7.821 4.417 4.398
564 1HG2 ILE 70 2HG2 ILE 70 5.680 6.444 5.116
565 2HG2 ILE 70 3HG2 ILE 70 5.586 5.471 3.628
566 3HG2 ILE 70 1HG2 ILE 70 4.224 5.479 4.773
567 1HD1 ILE 70 3HD1 ILE 70 6.958 2.140 6.129
568 2HD1 ILE 70 1HD1 ILE 70 7.929 1.707 4.700
569 3HD1 ILE 70 2HD1 ILE 70 8.575 2.848 5.903
570 H LYS 71 H LYS 71 5.682 7.220 6.900
571 HA LYS 71 HA LYS 71 8.206 8.298 6.133
572 HB LYS 71 2HB LYS 71 6.607 10.364 7.140
573 HB LYS 71 QB LYS 71 6.607 10.364 7.140
574 HG LYS 71 2HG LYS 71 6.309 9.418 4.295
575 HG LYS 71 QG LYS 71 6.309 9.418 4.295
576 HD LYS 71 2HD LYS 71 7.355 11.992 4.341
577 HD LYS 71 QD LYS 71 7.355 11.992 4.341
578 HE LYS 71 2HE LYS 71 4.555 10.857 4.256
579 HE LYS 71 QE LYS 71 4.555 10.857 4.256
580 1HZ LYS 71 1HZ LYS 71 5.001 13.385 5.207
581 2HZ LYS 71 2HZ LYS 71 4.711 13.646 3.626
582 H GLN 72 H GLN 72 6.631 7.386 9.135
583 HA GLN 72 HA GLN 72 8.266 9.093 10.720
584 HB GLN 72 2HB GLN 72 5.867 7.760 11.114
585 HB GLN 72 QB GLN 72 5.867 7.760 11.114
586 HG GLN 72 2HG GLN 72 8.008 6.446 12.855
587 HG GLN 72 QG GLN 72 8.008 6.446 12.855
588 1HE2 GLN 72 2HE2 GLN 72 5.393 4.672 14.612
589 2HE2 GLN 72 1HE2 GLN 72 6.903 4.411 13.804
590 H ILE 73 H ILE 73 8.552 5.966 9.205
591 HA ILE 73 HA ILE 73 10.516 4.992 11.072
592 HB ILE 73 HB ILE 73 9.590 3.935 8.398
593 HG1 ILE 73 2HG1 ILE 73 8.057 4.154 10.624
594 HG1 ILE 73 QG1 ILE 73 8.057 4.154 10.624
595 1HG2 ILE 73 3HG2 ILE 73 11.880 3.254 9.841
596 2HG2 ILE 73 1HG2 ILE 73 10.694 1.991 10.247
597 3HG2 ILE 73 2HG2 ILE 73 11.102 2.314 8.545
598 1HD1 ILE 73 2HD1 ILE 73 8.100 2.566 8.181
599 2HD1 ILE 73 3HD1 ILE 73 7.359 1.641 9.509
600 3HD1 ILE 73 1HD1 ILE 73 6.704 3.233 9.059
601 H GLY 74 H GLY 74 10.369 6.633 7.897
602 1HA GLY 74 1HA GLY 74 12.287 8.140 7.542
603 2HA GLY 74 2HA GLY 74 13.324 6.789 7.953
604 H GLY 75 H GLY 75 10.339 6.156 6.163
605 1HA GLY 75 1HA GLY 75 11.878 5.966 3.649
606 2HA GLY 75 2HA GLY 75 10.914 4.622 4.229
607 H GLU 76 H GLU 76 9.314 4.559 2.638
608 HA GLU 76 HA GLU 76 7.335 6.587 2.866
609 HB GLU 76 2HB GLU 76 7.658 7.748 0.948
610 HB GLU 76 QB GLU 76 7.658 7.748 0.948
611 HG GLU 76 2HG GLU 76 10.013 7.106 -0.215
612 HG GLU 76 QG GLU 76 10.013 7.106 -0.215
613 HE2 GLU 76 HE GLU 76 11.895 8.027 1.297
614 H MET 77 H MET 77 5.309 5.964 1.661
615 HA MET 77 HA MET 77 5.336 3.093 1.129
616 HB MET 77 2HB MET 77 4.065 4.284 3.234
617 HB MET 77 QB MET 77 4.065 4.284 3.234
618 HG MET 77 2HG MET 77 2.685 5.609 1.433
619 HG MET 77 QG MET 77 2.685 5.609 1.433
620 1HE MET 77 1HE MET 77 0.307 3.032 2.760
621 2HE MET 77 2HE MET 77 -0.049 1.936 1.404
622 3HE MET 77 3HE MET 77 1.511 1.825 2.252
623 H VAL 78 H VAL 78 4.391 2.389 -0.783
624 HA VAL 78 HA VAL 78 2.939 4.423 -2.323
625 HB VAL 78 HB VAL 78 5.114 2.537 -3.235
626 1HG1 VAL 78 3HG1 VAL 78 3.007 4.008 -4.803
627 2HG1 VAL 78 1HG1 VAL 78 4.622 3.739 -5.504
628 3HG1 VAL 78 2HG1 VAL 78 3.624 2.351 -5.007
629 1HG2 VAL 78 2HG2 VAL 78 4.859 5.520 -2.948
630 2HG2 VAL 78 3HG2 VAL 78 6.191 4.442 -2.467
631 3HG2 VAL 78 1HG2 VAL 78 5.940 4.835 -4.185
632 H VAL 79 H VAL 79 1.047 3.725 -3.277
633 HA VAL 79 HA VAL 79 0.547 0.840 -3.207
634 HB VAL 79 HB VAL 79 -0.493 1.653 -1.238
635 1HG1 VAL 79 2HG1 VAL 79 -1.381 3.943 -2.978
636 2HG1 VAL 79 3HG1 VAL 79 -2.307 3.511 -1.521
637 3HG1 VAL 79 1HG1 VAL 79 -0.593 3.970 -1.383
638 1HG2 VAL 79 3HG2 VAL 79 -2.260 1.025 -3.562
639 2HG2 VAL 79 1HG2 VAL 79 -2.001 0.135 -2.043
640 3HG2 VAL 79 2HG2 VAL 79 -3.036 1.582 -2.060
641 H CYS 80 H CYS 80 -0.238 0.073 -5.115
642 HA CYS 80 HA CYS 80 -1.445 2.044 -6.907
643 HB CYS 80 2HB CYS 80 0.865 1.703 -7.649
644 HB CYS 80 QB CYS 80 0.865 1.703 -7.649
645 HG CYS 80 HG CYS 80 1.011 -0.933 -8.989
646 H ALA 81 H ALA 81 -2.132 0.288 -8.989
647 HA ALA 81 HA ALA 81 -3.490 -1.361 -9.599
648 1HB ALA 81 1HB ALA 81 -2.073 -2.495 -7.485
649 2HB ALA 81 2HB ALA 81 -3.774 -2.769 -7.038
650 3HB ALA 81 3HB ALA 81 -3.158 -3.358 -8.601
651 H ILE 82 H ILE 82 -4.302 1.225 -8.395
652 HA ILE 82 HA ILE 82 -6.453 0.900 -6.659
653 HB ILE 82 HB ILE 82 -5.130 2.988 -7.394
654 HG1 ILE 82 2HG1 ILE 82 -8.095 2.920 -6.813
655 HG1 ILE 82 QG1 ILE 82 -8.095 2.920 -6.813
656 1HG2 ILE 82 3HG2 ILE 82 -6.417 2.449 -9.823
657 2HG2 ILE 82 1HG2 ILE 82 -7.251 3.870 -9.151
658 3HG2 ILE 82 2HG2 ILE 82 -5.487 3.901 -9.385
659 1HD1 ILE 82 2HD1 ILE 82 -6.292 2.124 -5.132
660 2HD1 ILE 82 3HD1 ILE 82 -5.771 3.826 -5.073
661 3HD1 ILE 82 1HD1 ILE 82 -7.420 3.382 -4.570
662 H SER 83 H SER 83 -8.388 2.463 -8.463
663 HA SER 83 HA SER 83 -9.094 0.896 -10.606
664 HB SER 83 2HB SER 83 -9.606 -0.529 -8.294
665 HB SER 83 QB SER 83 -9.606 -0.529 -8.294
666 HG SER 83 HG SER 83 -12.198 -0.341 -8.771
667 HA PRO 84 HA PRO 84 -11.953 4.165 -10.915
668 HB PRO 84 2HB PRO 84 -12.490 3.662 -13.096
669 HB PRO 84 QB PRO 84 -12.490 3.662 -13.096
670 HG PRO 84 2HG PRO 84 -12.187 1.451 -13.678
671 HG PRO 84 QG PRO 84 -12.187 1.451 -13.678
672 HD PRO 84 2HD PRO 84 -10.610 0.833 -12.124
673 HD PRO 84 QD PRO 84 -10.610 0.833 -12.124
674 H ALA 85 H ALA 85 -12.741 1.493 -9.115
675 HA ALA 85 HA ALA 85 -14.944 3.019 -7.914
676 1HB ALA 85 2HB ALA 85 -15.819 1.141 -9.290
677 2HB ALA 85 3HB ALA 85 -14.827 0.006 -8.344
678 3HB ALA 85 1HB ALA 85 -16.142 0.909 -7.555
679 H VAL 86 H VAL 86 -12.033 2.939 -7.325
680 HA VAL 86 HA VAL 86 -12.299 2.056 -4.563
681 HB VAL 86 HB VAL 86 -10.489 0.920 -6.613
682 1HG1 VAL 86 2HG1 VAL 86 -8.929 2.251 -5.210
683 2HG1 VAL 86 3HG1 VAL 86 -9.516 1.378 -3.773
684 3HG1 VAL 86 1HG1 VAL 86 -8.667 0.497 -5.065
685 1HG2 VAL 86 2HG2 VAL 86 -11.636 -0.084 -3.987
686 2HG2 VAL 86 3HG2 VAL 86 -12.229 -0.448 -5.625
687 3HG2 VAL 86 1HG2 VAL 86 -10.638 -1.050 -5.101
688 H LYS 87 H LYS 87 -10.618 3.876 -7.150
689 HA LYS 87 HA LYS 87 -8.977 5.335 -5.359
690 HB LYS 87 2HB LYS 87 -8.775 4.861 -7.942
691 HB LYS 87 QB LYS 87 -8.775 4.861 -7.942
692 HG LYS 87 2HG LYS 87 -9.509 7.619 -8.473
693 HG LYS 87 QG LYS 87 -9.509 7.619 -8.473
694 HD LYS 87 2HD LYS 87 -11.027 5.347 -9.698
695 HD LYS 87 QD LYS 87 -11.027 5.347 -9.698
696 HE LYS 87 2HE LYS 87 -9.514 6.769 -11.612
697 HE LYS 87 QE LYS 87 -9.514 6.769 -11.612
698 1HZ LYS 87 1HZ LYS 87 -12.225 6.424 -10.876
699 2HZ LYS 87 2HZ LYS 87 -12.000 7.975 -11.321
700 H ARG 88 H ARG 88 -12.339 5.359 -6.035
701 HA ARG 88 HA ARG 88 -12.778 8.108 -5.820
702 HB ARG 88 2HB ARG 88 -14.365 6.211 -6.676
703 HB ARG 88 QB ARG 88 -14.365 6.211 -6.676
704 HG ARG 88 2HG ARG 88 -16.054 5.628 -4.793
705 HG ARG 88 QG ARG 88 -16.054 5.628 -4.793
706 HD ARG 88 2HD ARG 88 -13.554 4.215 -4.042
707 HD ARG 88 QD ARG 88 -13.554 4.215 -4.042
708 HE ARG 88 HE ARG 88 -15.483 2.659 -5.442
709 1HH1 ARG 88 2HH2 ARG 88 -15.292 4.646 -2.514
710 2HH1 ARG 88 1HH2 ARG 88 -16.532 3.765 -1.685
711 HH2 ARG 88 1HH ARG 88 -17.591 1.917 -2.784
712 H LEU 89 H LEU 89 -12.159 5.515 -3.511
713 HA LEU 89 HA LEU 89 -13.384 6.606 -1.255
714 HB LEU 89 2HB LEU 89 -11.332 5.234 -0.203
715 HB LEU 89 QB LEU 89 -11.332 5.234 -0.203
716 HG LEU 89 HG LEU 89 -13.998 4.488 -1.091
717 1HD1 LEU 89 3HD1 LEU 89 -12.345 2.888 -2.379
718 2HD1 LEU 89 1HD1 LEU 89 -12.241 2.085 -0.794
719 3HD1 LEU 89 2HD1 LEU 89 -13.819 2.263 -1.600
720 1HD2 LEU 89 3HD2 LEU 89 -13.271 4.912 1.245
721 2HD2 LEU 89 1HD2 LEU 89 -14.063 3.334 1.022
722 3HD2 LEU 89 2HD2 LEU 89 -12.293 3.428 1.177
723 H PHE 90 H PHE 90 -10.068 7.016 -2.638
724 HA PHE 90 HA PHE 90 -9.414 8.906 -0.567
725 HB PHE 90 2HB PHE 90 -7.237 8.880 -1.746
726 HB PHE 90 QB PHE 90 -7.237 8.880 -1.746
727 HD1 PHE 90 2HD PHE 90 -8.642 5.867 -3.302
728 HD2 PHE 90 1HD PHE 90 -6.656 7.445 0.100
729 HE1 PHE 90 2HE PHE 90 -8.098 3.538 -2.538
730 HE2 PHE 90 1HE PHE 90 -6.112 5.117 0.863
731 HZ PHE 90 HZ PHE 90 -6.840 3.191 -0.465
732 H ASP 91 H ASP 91 -10.801 8.911 -3.792
733 HA ASP 91 HA ASP 91 -9.976 11.512 -4.461
734 HB ASP 91 2HB ASP 91 -12.515 10.690 -5.674
735 HB ASP 91 QB ASP 91 -12.515 10.690 -5.674
736 HD2 ASP 91 HD ASP 91 -11.642 10.759 -8.533
737 H MET 92 H MET 92 -12.730 9.993 -2.749
738 HA MET 92 HA MET 92 -14.315 12.341 -2.773
739 HB MET 92 2HB MET 92 -15.453 10.861 -0.823
740 HB MET 92 QB MET 92 -15.453 10.861 -0.823
741 HG MET 92 2HG MET 92 -15.334 9.918 -3.730
742 HG MET 92 QG MET 92 -15.334 9.918 -3.730
743 1HE MET 92 2HE MET 92 -18.244 11.105 -2.185
744 2HE MET 92 3HE MET 92 -19.158 9.900 -3.123
745 3HE MET 92 1HE MET 92 -19.100 9.787 -1.348
746 H SER 93 H SER 93 -12.092 10.720 -0.443
747 HA SER 93 HA SER 93 -12.693 12.420 1.683
748 HB SER 93 2HB SER 93 -9.968 11.157 1.381
749 HB SER 93 QB SER 93 -9.968 11.157 1.381
750 HG SER 93 HG SER 93 -11.919 11.439 3.495
751 H GLY 94 H GLY 94 -10.033 12.389 -0.788
752 1HA GLY 94 1HA GLY 94 -9.214 14.347 -1.779
753 2HA GLY 94 2HA GLY 94 -9.723 15.281 -0.386
754 H LEU 95 H LEU 95 -8.492 12.580 1.048
755 HA LEU 95 HA LEU 95 -5.965 13.903 1.534
756 HB LEU 95 2HB LEU 95 -6.851 11.336 2.800
757 HB LEU 95 QB LEU 95 -6.851 11.336 2.800
758 HG LEU 95 HG LEU 95 -4.801 11.949 3.719
759 1HD1 LEU 95 2HD1 LEU 95 -5.740 14.814 3.510
760 2HD1 LEU 95 3HD1 LEU 95 -4.313 14.329 4.456
761 3HD1 LEU 95 1HD1 LEU 95 -4.361 14.033 2.702
762 1HD2 LEU 95 3HD2 LEU 95 -7.134 12.242 5.288
763 2HD2 LEU 95 1HD2 LEU 95 -5.496 11.793 5.817
764 3HD2 LEU 95 2HD2 LEU 95 -5.994 13.502 5.818
765 H PHE 96 H PHE 96 -6.971 12.204 -0.993
766 HA PHE 96 HA PHE 96 -5.521 9.925 -1.235
767 HB PHE 96 2HB PHE 96 -5.407 11.798 -3.567
768 HB PHE 96 QB PHE 96 -5.407 11.798 -3.567
769 HD1 PHE 96 2HD PHE 96 -4.939 8.745 -2.634
770 HD2 PHE 96 1HD PHE 96 -7.836 10.791 -4.962
771 HE1 PHE 96 2HE PHE 96 -5.425 6.628 -3.890
772 HE2 PHE 96 1HE PHE 96 -8.322 8.674 -6.219
773 HZ PHE 96 HZ PHE 96 -7.110 6.617 -5.668
774 H LYS 97 H LYS 97 -4.367 13.305 -1.352
775 HA LYS 97 HA LYS 97 -1.879 12.777 -2.518
776 HB LYS 97 2HB LYS 97 -1.353 14.988 -1.988
777 HB LYS 97 QB LYS 97 -1.353 14.988 -1.988
778 HG LYS 97 2HG LYS 97 -4.227 15.569 -1.660
779 HG LYS 97 QG LYS 97 -4.227 15.569 -1.660
780 HD LYS 97 2HD LYS 97 -2.062 16.061 -3.737
781 HD LYS 97 QD LYS 97 -2.062 16.061 -3.737
782 HE LYS 97 2HE LYS 97 -4.916 15.928 -4.227
783 HE LYS 97 QE LYS 97 -4.916 15.928 -4.227
784 1HZ LYS 97 1HZ LYS 97 -4.331 18.462 -5.230
785 2HZ LYS 97 2HZ LYS 97 -5.483 18.084 -4.143
786 H ILE 98 H ILE 98 -3.211 12.092 0.642
787 HA ILE 98 HA ILE 98 -0.606 11.881 1.870
788 HB ILE 98 HB ILE 98 -3.166 12.397 2.772
789 HG1 ILE 98 2HG1 ILE 98 -2.038 13.121 4.568
790 HG1 ILE 98 QG1 ILE 98 -2.038 13.121 4.568
791 1HG2 ILE 98 1HG2 ILE 98 -2.354 9.600 3.596
792 2HG2 ILE 98 2HG2 ILE 98 -3.563 10.586 4.452
793 3HG2 ILE 98 3HG2 ILE 98 -3.843 10.103 2.762
794 1HD1 ILE 98 1HD1 ILE 98 -0.816 10.332 4.670
795 2HD1 ILE 98 2HD1 ILE 98 -0.329 11.636 5.778
796 3HD1 ILE 98 3HD1 ILE 98 -2.007 11.044 5.784
797 H ILE 99 H ILE 99 -2.498 10.035 -0.258
798 HA ILE 99 HA ILE 99 -1.216 7.574 0.710
799 HB ILE 99 HB ILE 99 -3.853 7.973 -0.701
800 HG1 ILE 99 2HG1 ILE 99 -4.802 6.942 1.305
801 HG1 ILE 99 QG1 ILE 99 -4.802 6.942 1.305
802 1HG2 ILE 99 1HG2 ILE 99 -2.579 6.026 -1.600
803 2HG2 ILE 99 2HG2 ILE 99 -2.550 5.342 0.044
804 3HG2 ILE 99 3HG2 ILE 99 -4.104 5.590 -0.791
805 1HD1 ILE 99 3HD1 ILE 99 -2.102 6.166 1.799
806 2HD1 ILE 99 1HD1 ILE 99 -2.541 7.321 3.082
807 3HD1 ILE 99 2HD1 ILE 99 -3.524 5.859 2.826
808 H ARG 100 H ARG 100 -1.347 10.015 -1.699
809 HA ARG 100 HA ARG 100 -0.805 10.037 -3.849
810 HB ARG 100 2HB ARG 100 1.731 8.605 -2.988
811 HB ARG 100 QB ARG 100 1.731 8.605 -2.988
812 HG ARG 100 2HG ARG 100 2.756 10.586 -4.174
813 HG ARG 100 QG ARG 100 2.756 10.586 -4.174
814 HD ARG 100 2HD ARG 100 1.550 8.318 -5.302
815 HD ARG 100 QD ARG 100 1.550 8.318 -5.302
816 HE ARG 100 HE ARG 100 -0.185 10.179 -6.140
817 1HH1 ARG 100 2HH2 ARG 100 2.583 8.835 -7.898
818 2HH1 ARG 100 1HH2 ARG 100 1.866 9.073 -9.457
819 HH2 ARG 100 1HH ARG 100 -0.318 10.049 -9.609
820 H PHE 101 H PHE 101 -2.242 8.527 -4.901
821 HA PHE 101 HA PHE 101 -1.181 5.820 -5.216
822 HB PHE 101 2HB PHE 101 -3.829 6.484 -6.369
823 HB PHE 101 QB PHE 101 -3.829 6.484 -6.369
824 HD1 PHE 101 1HD PHE 101 -3.402 4.070 -6.944
825 HD2 PHE 101 2HD PHE 101 -3.863 5.400 -2.940
826 HE1 PHE 101 1HE PHE 101 -3.877 1.715 -6.216
827 HE2 PHE 101 2HE PHE 101 -4.337 3.044 -2.212
828 HZ PHE 101 HZ PHE 101 -4.339 1.230 -3.859
829 H GLU 102 H GLU 102 -1.922 4.857 -7.504
830 HA GLU 102 HA GLU 102 -1.723 6.826 -9.578
831 HB GLU 102 2HB GLU 102 0.264 4.636 -9.931
832 HB GLU 102 QB GLU 102 0.264 4.636 -9.931
833 HG GLU 102 2HG GLU 102 1.420 6.264 -11.156
834 HG GLU 102 QG GLU 102 1.420 6.264 -11.156
835 HE2 GLU 102 HE GLU 102 -1.709 8.284 -12.296
836 H GLN 103 H GLN 103 -0.774 4.522 -11.423
837 HA GLN 103 HA GLN 103 -2.873 2.615 -11.168
838 HB GLN 103 2HB GLN 103 -3.844 3.133 -13.450
839 HB GLN 103 QB GLN 103 -3.844 3.133 -13.450
840 HG GLN 103 2HG GLN 103 -4.059 5.408 -11.421
841 HG GLN 103 QG GLN 103 -4.059 5.408 -11.421
842 1HE2 GLN 103 1HE2 GLN 103 -6.868 5.094 -11.364
843 2HE2 GLN 103 2HE2 GLN 103 -7.535 5.683 -12.851
844 H SER 104 H SER 104 -1.311 0.980 -11.230
845 HA SER 104 HA SER 104 0.245 -0.327 -12.008
846 HB SER 104 2HB SER 104 -1.134 0.464 -14.598
847 HB SER 104 QB SER 104 -1.134 0.464 -14.598
848 HG SER 104 HG SER 104 1.126 -1.206 -14.177
849 H GLU 105 H GLU 105 0.113 2.352 -14.480
850 HA GLU 105 HA GLU 105 2.579 2.399 -15.355
851 HB GLU 105 2HB GLU 105 0.883 4.766 -14.473
852 HB GLU 105 QB GLU 105 0.883 4.766 -14.473
853 HG GLU 105 2HG GLU 105 3.646 4.689 -15.557
854 HG GLU 105 QG GLU 105 3.646 4.689 -15.557
855 HE2 GLU 105 HE GLU 105 2.081 7.658 -16.242
856 H GLN 106 H GLN 106 1.594 3.202 -12.040
857 HA GLN 106 HA GLN 106 3.956 4.499 -11.316
858 HB GLN 106 2HB GLN 106 1.649 3.228 -9.860
859 HB GLN 106 QB GLN 106 1.649 3.228 -9.860
860 HG GLN 106 2HG GLN 106 4.367 3.872 -8.695
861 HG GLN 106 QG GLN 106 4.367 3.872 -8.695
862 1HE2 GLN 106 2HE2 GLN 106 0.956 4.677 -6.461
863 2HE2 GLN 106 1HE2 GLN 106 0.922 3.605 -7.820
864 H GLN 107 H GLN 107 3.442 1.312 -12.291
865 HA GLN 107 HA GLN 107 4.573 -0.385 -10.660
866 HB GLN 107 2HB GLN 107 3.925 -0.816 -13.051
867 HB GLN 107 QB GLN 107 3.925 -0.816 -13.051
868 HG GLN 107 2HG GLN 107 6.021 1.053 -13.571
869 HG GLN 107 QG GLN 107 6.021 1.053 -13.571
870 1HE2 GLN 107 2HE2 GLN 107 8.937 -0.574 -14.423
871 2HE2 GLN 107 1HE2 GLN 107 8.100 0.795 -13.770
872 H ALA 108 H ALA 108 6.227 2.378 -12.147
873 HA ALA 108 HA ALA 108 8.830 1.440 -11.317
874 1HB ALA 108 2HB ALA 108 7.804 3.965 -12.665
875 2HB ALA 108 3HB ALA 108 9.515 3.692 -12.258
876 3HB ALA 108 1HB ALA 108 8.692 2.616 -13.414
877 H LEU 109 H LEU 109 6.537 4.141 -10.525
878 HA LEU 109 HA LEU 109 8.101 5.126 -8.413
879 HB LEU 109 2HB LEU 109 5.288 5.637 -8.075
880 HB LEU 109 QB LEU 109 5.288 5.637 -8.075
881 HG LEU 109 HG LEU 109 7.645 7.309 -8.950
882 1HD1 LEU 109 3HD1 LEU 109 5.547 8.001 -10.159
883 2HD1 LEU 109 1HD1 LEU 109 4.837 8.369 -8.570
884 3HD1 LEU 109 2HD1 LEU 109 6.282 9.249 -9.123
885 1HD2 LEU 109 1HD2 LEU 109 7.296 6.586 -6.530
886 2HD2 LEU 109 2HD2 LEU 109 7.499 8.328 -6.835
887 3HD2 LEU 109 3HD2 LEU 109 5.878 7.661 -6.527
888 H LEU 110 H LEU 110 6.051 2.323 -8.755
889 HA LEU 110 HA LEU 110 5.102 1.997 -6.196
890 HB LEU 110 2HB LEU 110 6.090 -0.432 -7.539
891 HB LEU 110 QB LEU 110 6.090 -0.432 -7.539
892 HG LEU 110 HG LEU 110 3.207 0.320 -7.121
893 1HD1 LEU 110 2HD1 LEU 110 4.780 -2.171 -7.587
894 2HD1 LEU 110 3HD1 LEU 110 3.320 -2.280 -6.574
895 3HD1 LEU 110 1HD1 LEU 110 3.203 -1.663 -8.241
896 1HD2 LEU 110 1HD2 LEU 110 5.013 0.420 -5.030
897 2HD2 LEU 110 2HD2 LEU 110 3.256 0.169 -4.897
898 3HD2 LEU 110 3HD2 LEU 110 4.355 -1.231 -4.927
899 H THR 111 H THR 111 8.356 1.282 -7.564
900 HA THR 111 HA THR 111 9.383 -0.052 -5.345
901 HB THR 111 HB THR 111 10.292 1.167 -7.860
902 HG1 THR 111 1HG THR 111 11.629 -0.759 -7.613
903 1HG2 THR 111 3HG2 THR 111 11.648 2.581 -6.218
904 2HG2 THR 111 1HG2 THR 111 12.279 1.063 -5.532
905 3HG2 THR 111 2HG2 THR 111 12.635 1.493 -7.223
906 H LEU 112 H LEU 112 8.088 3.036 -5.406
907 HA LEU 112 HA LEU 112 7.952 4.337 -3.535
908 HB LEU 112 2HB LEU 112 10.678 3.277 -2.776
909 HB LEU 112 QB LEU 112 10.678 3.277 -2.776
910 HG LEU 112 HG LEU 112 9.040 5.385 -1.614
911 1HD1 LEU 112 1HD1 LEU 112 9.702 3.016 0.157
912 2HD1 LEU 112 2HD1 LEU 112 9.190 4.621 0.731
913 3HD1 LEU 112 3HD1 LEU 112 8.082 3.632 -0.249
914 1HD2 LEU 112 3HD2 LEU 112 11.827 4.355 -1.470
915 2HD2 LEU 112 1HD2 LEU 112 11.219 6.004 -1.749
916 3HD2 LEU 112 2HD2 LEU 112 11.241 5.330 -0.102
917 H GLY 113 H GLY 113 9.018 4.649 -6.326
918 1HA GLY 113 1HA GLY 113 9.876 6.300 -7.584
919 2HA GLY 113 2HA GLY 113 9.739 7.350 -6.187
920 H VAL 114 H VAL 114 11.620 4.447 -5.677
921 HA VAL 114 HA VAL 114 14.062 6.065 -5.905
922 HB VAL 114 HB VAL 114 13.766 3.634 -4.168
923 1HG1 VAL 114 3HG1 VAL 114 15.921 5.192 -4.780
924 2HG1 VAL 114 1HG1 VAL 114 15.335 5.985 -3.297
925 3HG1 VAL 114 2HG1 VAL 114 15.747 4.254 -3.278
926 1HG2 VAL 114 1HG2 VAL 114 12.711 6.406 -3.630
927 2HG2 VAL 114 2HG2 VAL 114 11.950 4.827 -3.323
928 3HG2 VAL 114 3HG2 VAL 114 13.296 5.380 -2.298
929 H ALA 115 H ALA 115 15.485 3.363 -5.334
930 HA ALA 115 HA ALA 115 16.747 2.140 -6.751
931 1HB ALA 115 2HB ALA 115 14.240 1.064 -6.160
932 2HB ALA 115 3HB ALA 115 14.419 0.787 -7.909
933 3HB ALA 115 1HB ALA 115 15.649 0.171 -6.779
934 H SER 116 H SER 116 16.152 4.727 -7.905
935 HA SER 116 HA SER 116 16.556 5.698 -9.821
936 HB SER 116 2HB SER 116 16.338 3.142 -11.425
937 HB SER 116 QB SER 116 16.338 3.142 -11.425
938 HG SER 116 HG SER 116 17.264 4.438 -12.843
No H/Q in entry = 795
Start of MODEL 18
1 H SER 1 H SER 1 -12.089 -15.098 -0.406
2 HA SER 1 HA SER 1 -10.293 -15.997 0.462
3 HB SER 1 2HB SER 1 -9.933 -18.034 -0.464
4 HB SER 1 QB SER 1 -9.933 -18.034 -0.464
5 HG SER 1 HG SER 1 -10.967 -16.736 -2.742
6 H LEU 2 H LEU 2 -8.999 -14.275 1.021
7 HA LEU 2 HA LEU 2 -7.841 -12.650 -1.061
8 HB LEU 2 2HB LEU 2 -8.137 -12.489 1.907
9 HB LEU 2 QB LEU 2 -8.137 -12.489 1.907
10 HG LEU 2 HG LEU 2 -5.734 -11.684 0.906
11 1HD1 LEU 2 3HD1 LEU 2 -7.722 -9.633 0.151
12 2HD1 LEU 2 1HD1 LEU 2 -6.268 -9.028 0.983
13 3HD1 LEU 2 2HD1 LEU 2 -6.106 -9.979 -0.513
14 1HD2 LEU 2 3HD2 LEU 2 -7.384 -11.102 3.243
15 2HD2 LEU 2 1HD2 LEU 2 -5.644 -11.459 3.122
16 3HD2 LEU 2 2HD2 LEU 2 -6.232 -9.798 2.869
17 H GLY 3 H GLY 3 -5.653 -12.496 -1.589
18 1HA GLY 3 1HA GLY 3 -4.030 -14.763 -0.662
19 2HA GLY 3 2HA GLY 3 -3.795 -13.826 -2.125
20 H ILE 4 H ILE 4 -1.526 -13.544 -1.485
21 HA ILE 4 HA ILE 4 -1.014 -11.093 -0.340
22 HB ILE 4 HB ILE 4 -1.800 -12.580 1.691
23 HG1 ILE 4 2HG1 ILE 4 0.055 -11.235 3.043
24 HG1 ILE 4 QG1 ILE 4 0.055 -11.235 3.043
25 1HG2 ILE 4 3HG2 ILE 4 1.133 -13.293 1.427
26 2HG2 ILE 4 1HG2 ILE 4 0.145 -13.545 2.886
27 3HG2 ILE 4 2HG2 ILE 4 -0.255 -14.406 1.380
28 1HD1 ILE 4 2HD1 ILE 4 1.346 -10.787 0.876
29 2HD1 ILE 4 3HD1 ILE 4 -0.029 -9.774 0.370
30 3HD1 ILE 4 1HD1 ILE 4 0.910 -9.342 1.820
31 H ASP 5 H ASP 5 0.975 -10.479 -1.070
32 HA ASP 5 HA ASP 5 2.896 -12.596 -1.533
33 HB ASP 5 2HB ASP 5 2.989 -10.598 -3.669
34 HB ASP 5 QB ASP 5 2.989 -10.598 -3.669
35 HD2 ASP 5 HD ASP 5 1.825 -12.278 -5.558
36 H MET 6 H MET 6 5.086 -11.830 -1.272
37 HA MET 6 HA MET 6 5.377 -8.967 -0.886
38 HB MET 6 2HB MET 6 6.652 -9.362 1.208
39 HB MET 6 QB MET 6 6.652 -9.362 1.208
40 HG MET 6 2HG MET 6 3.852 -10.358 0.915
41 HG MET 6 QG MET 6 3.852 -10.358 0.915
42 1HE MET 6 2HE MET 6 2.521 -11.826 2.140
43 2HE MET 6 3HE MET 6 3.726 -12.982 1.523
44 3HE MET 6 1HE MET 6 3.156 -13.103 3.206
45 H ASN 7 H ASN 7 7.308 -8.136 -1.689
46 HA ASN 7 HA ASN 7 9.364 -10.075 -2.332
47 HB ASN 7 2HB ASN 7 9.296 -8.101 -4.439
48 HB ASN 7 QB ASN 7 9.296 -8.101 -4.439
49 1HD2 ASN 7 2HD2 ASN 7 10.705 -10.987 -5.796
50 2HD2 ASN 7 1HD2 ASN 7 10.931 -9.398 -5.147
51 H VAL 8 H VAL 8 11.472 -8.790 -3.005
52 HA VAL 8 HA VAL 8 11.501 -6.144 -1.747
53 HB VAL 8 HB VAL 8 12.613 -8.522 -0.685
54 1HG1 VAL 8 1HG1 VAL 8 14.527 -8.234 -2.181
55 2HG1 VAL 8 2HG1 VAL 8 14.740 -6.561 -1.612
56 3HG1 VAL 8 3HG1 VAL 8 14.997 -7.921 -0.493
57 1HG2 VAL 8 1HG2 VAL 8 11.665 -6.458 0.460
58 2HG2 VAL 8 2HG2 VAL 8 13.136 -7.152 1.183
59 3HG2 VAL 8 3HG2 VAL 8 13.243 -5.687 0.176
60 H LYS 9 H LYS 9 12.921 -4.650 -2.717
61 HA LYS 9 HA LYS 9 14.584 -5.626 -4.887
62 HB LYS 9 2HB LYS 9 13.417 -4.783 -6.600
63 HB LYS 9 QB LYS 9 13.417 -4.783 -6.600
64 HG LYS 9 2HG LYS 9 10.913 -4.306 -6.018
65 HG LYS 9 QG LYS 9 10.913 -4.306 -6.018
66 HD LYS 9 2HD LYS 9 11.142 -6.941 -4.930
67 HD LYS 9 QD LYS 9 11.142 -6.941 -4.930
68 HE LYS 9 2HE LYS 9 10.058 -5.612 -7.222
69 HE LYS 9 QE LYS 9 10.058 -5.612 -7.222
70 1HZ LYS 9 1HZ LYS 9 11.377 -8.125 -8.040
71 2HZ LYS 9 2HZ LYS 9 10.691 -6.995 -8.990
72 H GLU 10 H GLU 10 16.522 -4.925 -4.123
73 HA GLU 10 HA GLU 10 18.095 -3.576 -3.481
74 HB GLU 10 2HB GLU 10 16.183 -1.552 -4.662
75 HB GLU 10 QB GLU 10 16.183 -1.552 -4.662
76 HG GLU 10 2HG GLU 10 18.516 -1.025 -2.879
77 HG GLU 10 QG GLU 10 18.516 -1.025 -2.879
78 HE2 GLU 10 HE GLU 10 20.591 -0.080 -4.296
79 H SER 11 H SER 11 14.822 -2.962 -2.289
80 HA SER 11 HA SER 11 15.378 -3.143 0.302
81 HB SER 11 2HB SER 11 16.528 -1.315 0.956
82 HB SER 11 QB SER 11 16.528 -1.315 0.956
83 HG SER 11 HG SER 11 17.375 0.054 -0.524
84 H VAL 12 H VAL 12 13.495 -2.392 -2.357
85 HA VAL 12 HA VAL 12 11.265 -1.280 -0.879
86 HB VAL 12 HB VAL 12 11.941 -0.524 -3.162
87 1HG1 VAL 12 1HG1 VAL 12 12.275 -3.085 -3.830
88 2HG1 VAL 12 2HG1 VAL 12 10.586 -2.903 -4.362
89 3HG1 VAL 12 3HG1 VAL 12 11.850 -1.842 -5.031
90 1HG2 VAL 12 1HG2 VAL 12 9.683 -0.125 -2.242
91 2HG2 VAL 12 2HG2 VAL 12 9.660 -0.332 -4.010
92 3HG2 VAL 12 3HG2 VAL 12 9.133 -1.662 -2.951
93 H LEU 13 H LEU 13 9.752 -2.508 0.114
94 HA LEU 13 HA LEU 13 9.778 -5.363 -0.481
95 HB LEU 13 2HB LEU 13 9.559 -5.601 1.691
96 HB LEU 13 QB LEU 13 9.559 -5.601 1.691
97 HG LEU 13 HG LEU 13 10.472 -3.049 1.650
98 1HD1 LEU 13 1HD1 LEU 13 7.895 -2.450 1.801
99 2HD1 LEU 13 2HD1 LEU 13 8.182 -2.722 3.536
100 3HD1 LEU 13 3HD1 LEU 13 9.133 -1.501 2.658
101 1HD2 LEU 13 3HD2 LEU 13 10.478 -5.178 3.402
102 2HD2 LEU 13 1HD2 LEU 13 11.365 -3.648 3.605
103 3HD2 LEU 13 2HD2 LEU 13 9.773 -3.862 4.372
104 H CYS 14 H CYS 14 8.510 -5.869 -2.204
105 HA CYS 14 HA CYS 14 6.240 -4.315 -2.861
106 HB CYS 14 2HB CYS 14 6.115 -5.575 -4.776
107 HB CYS 14 QB CYS 14 6.115 -5.575 -4.776
108 HG CYS 14 HG CYS 14 8.534 -4.446 -4.407
109 H ILE 15 H ILE 15 3.998 -4.895 -2.614
110 HA ILE 15 HA ILE 15 3.490 -7.230 -0.929
111 HB ILE 15 HB ILE 15 2.812 -4.372 -0.350
112 HG1 ILE 15 2HG1 ILE 15 3.459 -5.078 1.947
113 HG1 ILE 15 QG1 ILE 15 3.459 -5.078 1.947
114 1HG2 ILE 15 1HG2 ILE 15 1.055 -6.718 0.052
115 2HG2 ILE 15 2HG2 ILE 15 1.282 -5.664 1.468
116 3HG2 ILE 15 3HG2 ILE 15 0.664 -4.985 -0.056
117 1HD1 ILE 15 2HD1 ILE 15 2.977 -7.615 1.260
118 2HD1 ILE 15 3HD1 ILE 15 4.682 -7.560 0.754
119 3HD1 ILE 15 1HD1 ILE 15 4.243 -7.216 2.444
120 H ARG 16 H ARG 16 2.671 -8.378 -2.711
121 HA ARG 16 HA ARG 16 0.598 -7.078 -4.221
122 HB ARG 16 2HB ARG 16 1.007 -9.915 -4.847
123 HB ARG 16 QB ARG 16 1.007 -9.915 -4.847
124 HG ARG 16 2HG ARG 16 0.729 -7.357 -6.181
125 HG ARG 16 QG ARG 16 0.729 -7.357 -6.181
126 HD ARG 16 2HD ARG 16 3.211 -8.962 -6.810
127 HD ARG 16 QD ARG 16 3.211 -8.962 -6.810
128 HE ARG 16 HE ARG 16 1.281 -8.227 -8.827
129 1HH1 ARG 16 2HH2 ARG 16 4.764 -8.184 -8.182
130 2HH1 ARG 16 1HH2 ARG 16 5.200 -8.227 -9.858
131 HH2 ARG 16 1HH ARG 16 3.473 -8.288 -11.519
132 H LEU 17 H LEU 17 -1.416 -7.085 -3.246
133 HA LEU 17 HA LEU 17 -2.162 -9.489 -1.749
134 HB LEU 17 2HB LEU 17 -4.046 -7.415 -1.384
135 HB LEU 17 QB LEU 17 -4.046 -7.415 -1.384
136 HG LEU 17 HG LEU 17 -3.519 -7.487 0.879
137 1HD1 LEU 17 2HD1 LEU 17 -3.667 -9.908 -0.543
138 2HD1 LEU 17 3HD1 LEU 17 -2.420 -10.147 0.706
139 3HD1 LEU 17 1HD1 LEU 17 -4.056 -9.619 1.169
140 1HD2 LEU 17 2HD2 LEU 17 -0.719 -7.985 -0.042
141 2HD2 LEU 17 3HD2 LEU 17 -1.345 -6.833 1.162
142 3HD2 LEU 17 1HD2 LEU 17 -1.208 -8.560 1.571
143 H THR 18 H THR 18 -3.675 -10.860 -2.547
144 HA THR 18 HA THR 18 -5.351 -9.847 -4.745
145 HB THR 18 HB THR 18 -5.046 -12.364 -5.541
146 HG1 THR 18 1HG THR 18 -2.883 -13.069 -4.771
147 1HG2 THR 18 3HG2 THR 18 -4.029 -10.264 -6.667
148 2HG2 THR 18 1HG2 THR 18 -2.576 -10.571 -5.686
149 3HG2 THR 18 2HG2 THR 18 -3.116 -11.777 -6.879
150 H GLY 19 H GLY 19 -7.407 -9.771 -4.110
151 1HA GLY 19 1HA GLY 19 -9.021 -11.796 -3.481
152 2HA GLY 19 2HA GLY 19 -8.286 -11.475 -1.923
153 H GLU 20 H GLU 20 -9.353 -10.046 -0.632
154 HA GLU 20 HA GLU 20 -10.904 -7.995 -2.009
155 HB GLU 20 2HB GLU 20 -12.125 -8.373 0.495
156 HB GLU 20 QB GLU 20 -12.125 -8.373 0.495
157 HG GLU 20 2HG GLU 20 -12.942 -8.179 -2.091
158 HG GLU 20 QG GLU 20 -12.942 -8.179 -2.091
159 HE2 GLU 20 HE GLU 20 -14.075 -11.724 -1.091
160 H LEU 21 H LEU 21 -11.308 -6.001 -0.605
161 HA LEU 21 HA LEU 21 -9.011 -5.599 1.184
162 HB LEU 21 2HB LEU 21 -9.741 -3.100 0.261
163 HB LEU 21 QB LEU 21 -9.741 -3.100 0.261
164 HG LEU 21 HG LEU 21 -7.640 -2.913 -0.556
165 1HD1 LEU 21 2HD1 LEU 21 -7.611 -4.235 1.658
166 2HD1 LEU 21 3HD1 LEU 21 -7.101 -5.616 0.656
167 3HD1 LEU 21 1HD1 LEU 21 -6.111 -4.137 0.703
168 1HD2 LEU 21 1HD2 LEU 21 -8.342 -5.356 -2.044
169 2HD2 LEU 21 2HD2 LEU 21 -7.449 -3.905 -2.558
170 3HD2 LEU 21 3HD2 LEU 21 -6.613 -5.190 -1.654
171 H ASP 22 H ASP 22 -10.096 -6.112 3.107
172 HA ASP 22 HA ASP 22 -11.925 -4.054 3.922
173 HB ASP 22 2HB ASP 22 -13.785 -5.341 3.815
174 HB ASP 22 QB ASP 22 -13.785 -5.341 3.815
175 HD1 ASP 22 HD ASP 22 -11.651 -6.908 1.534
176 H HIS 23 H HIS 23 -12.454 -4.510 6.432
177 HA HIS 23 HA HIS 23 -10.163 -4.481 7.852
178 HB HIS 23 2HB HIS 23 -12.646 -4.022 8.503
179 HB HIS 23 QB HIS 23 -12.646 -4.022 8.503
180 HD1 HIS 23 1HD HIS 23 -11.819 -6.700 10.967
181 HD2 HIS 23 2HD HIS 23 -14.547 -6.078 7.842
182 HE1 HIS 23 1HE HIS 23 -13.610 -8.501 11.212
183 H HIS 24 H HIS 24 -11.836 -7.278 6.496
184 HA HIS 24 HA HIS 24 -10.524 -9.172 8.158
185 HB HIS 24 2HB HIS 24 -11.342 -10.640 6.058
186 HB HIS 24 QB HIS 24 -11.342 -10.640 6.058
187 HD1 HIS 24 1HD HIS 24 -14.571 -9.407 6.880
188 HD2 HIS 24 2HD HIS 24 -11.619 -11.478 9.023
189 HE1 HIS 24 1HE HIS 24 -15.755 -10.489 8.865
190 H THR 25 H THR 25 -10.089 -7.972 4.766
191 HA THR 25 HA THR 25 -7.665 -9.517 4.486
192 HB THR 25 HB THR 25 -7.915 -8.987 2.218
193 HG1 THR 25 1HG THR 25 -7.702 -6.759 2.150
194 1HG2 THR 25 2HG2 THR 25 -10.282 -9.648 3.300
195 2HG2 THR 25 3HG2 THR 25 -10.674 -7.956 2.913
196 3HG2 THR 25 1HG2 THR 25 -10.190 -9.075 1.617
197 H ALA 26 H ALA 26 -8.630 -6.226 5.377
198 HA ALA 26 HA ALA 26 -6.167 -4.991 4.890
199 1HB ALA 26 2HB ALA 26 -8.691 -4.442 6.328
200 2HB ALA 26 3HB ALA 26 -7.267 -3.625 7.014
201 3HB ALA 26 1HB ALA 26 -7.700 -3.373 5.307
202 H GLU 27 H GLU 27 -7.077 -7.459 7.111
203 HA GLU 27 HA GLU 27 -5.442 -6.709 9.254
204 HB GLU 27 2HB GLU 27 -5.846 -9.616 8.855
205 HB GLU 27 QB GLU 27 -5.846 -9.616 8.855
206 HG GLU 27 2HG GLU 27 -5.747 -7.692 10.982
207 HG GLU 27 QG GLU 27 -5.747 -7.692 10.982
208 HE2 GLU 27 HE GLU 27 -7.279 -9.171 12.850
209 H THR 28 H THR 28 -4.971 -8.900 6.409
210 HA THR 28 HA THR 28 -2.555 -9.987 6.966
211 HB THR 28 HB THR 28 -4.257 -9.587 4.715
212 HG1 THR 28 1HG THR 28 -3.075 -11.514 5.627
213 1HG2 THR 28 2HG2 THR 28 -2.511 -7.810 4.022
214 2HG2 THR 28 3HG2 THR 28 -1.321 -9.133 3.993
215 3HG2 THR 28 1HG2 THR 28 -2.717 -9.168 2.888
216 H LEU 29 H LEU 29 -3.160 -6.637 5.787
217 HA LEU 29 HA LEU 29 -0.363 -6.074 5.673
218 HB LEU 29 2HB LEU 29 -2.324 -3.868 5.807
219 HB LEU 29 QB LEU 29 -2.324 -3.868 5.807
220 HG LEU 29 HG LEU 29 -0.943 -2.819 4.409
221 1HD1 LEU 29 2HD1 LEU 29 0.622 -4.120 5.971
222 2HD1 LEU 29 3HD1 LEU 29 0.978 -5.139 4.556
223 3HD1 LEU 29 1HD1 LEU 29 1.322 -3.392 4.506
224 1HD2 LEU 29 2HD2 LEU 29 -0.946 -5.362 2.775
225 2HD2 LEU 29 3HD2 LEU 29 -1.797 -3.833 2.449
226 3HD2 LEU 29 1HD2 LEU 29 -0.024 -3.910 2.318
227 H LYS 30 H LYS 30 -2.959 -5.900 8.081
228 HA LYS 30 HA LYS 30 -1.933 -4.040 9.811
229 HB LYS 30 2HB LYS 30 -3.286 -6.610 10.657
230 HB LYS 30 QB LYS 30 -3.286 -6.610 10.657
231 HG LYS 30 2HG LYS 30 -2.428 -4.885 12.376
232 HG LYS 30 QG LYS 30 -2.428 -4.885 12.376
233 HD LYS 30 2HD LYS 30 -4.846 -3.256 11.585
234 HD LYS 30 QD LYS 30 -4.846 -3.256 11.585
235 HE LYS 30 2HE LYS 30 -2.360 -1.958 12.538
236 HE LYS 30 QE LYS 30 -2.360 -1.958 12.538
237 1HZ LYS 30 1HZ LYS 30 -4.522 -1.631 14.247
238 2HZ LYS 30 2HZ LYS 30 -4.014 -0.575 13.116
239 H GLN 31 H GLN 31 -1.128 -7.553 9.515
240 HA GLN 31 HA GLN 31 0.674 -7.492 11.654
241 HB GLN 31 2HB GLN 31 -0.243 -9.609 11.003
242 HB GLN 31 QB GLN 31 -0.243 -9.609 11.003
243 HG GLN 31 2HG GLN 31 0.823 -8.894 8.242
244 HG GLN 31 QG GLN 31 0.823 -8.894 8.242
245 1HE2 GLN 31 2HE2 GLN 31 -0.597 -12.684 8.229
246 2HE2 GLN 31 1HE2 GLN 31 -1.547 -11.267 8.530
247 H LYS 32 H LYS 32 0.914 -6.781 8.171
248 HA LYS 32 HA LYS 32 3.736 -6.877 8.047
249 HB LYS 32 2HB LYS 32 1.530 -5.830 6.298
250 HB LYS 32 QB LYS 32 1.530 -5.830 6.298
251 HG LYS 32 2HG LYS 32 3.444 -4.175 6.194
252 HG LYS 32 QG LYS 32 3.444 -4.175 6.194
253 HD LYS 32 2HD LYS 32 4.956 -6.704 5.410
254 HD LYS 32 QD LYS 32 4.956 -6.704 5.410
255 HE LYS 32 2HE LYS 32 5.633 -3.769 4.920
256 HE LYS 32 QE LYS 32 5.633 -3.769 4.920
257 1HZ LYS 32 1HZ LYS 32 7.675 -4.529 5.605
258 2HZ LYS 32 2HZ LYS 32 7.368 -6.096 5.285
259 H VAL 33 H VAL 33 1.524 -4.741 9.581
260 HA VAL 33 HA VAL 33 2.866 -2.306 9.206
261 HB VAL 33 HB VAL 33 1.178 -3.245 11.533
262 1HG1 VAL 33 1HG1 VAL 33 2.390 -1.175 12.009
263 2HG1 VAL 33 2HG1 VAL 33 1.783 -0.454 10.499
264 3HG1 VAL 33 3HG1 VAL 33 0.650 -0.853 11.812
265 1HG2 VAL 33 1HG2 VAL 33 0.358 -1.972 8.901
266 2HG2 VAL 33 2HG2 VAL 33 -0.018 -3.622 9.453
267 3HG2 VAL 33 3HG2 VAL 33 -0.717 -2.219 10.298
268 H THR 34 H THR 34 2.868 -4.534 12.085
269 HA THR 34 HA THR 34 4.887 -3.297 13.471
270 HB THR 34 HB THR 34 3.909 -4.967 14.738
271 HG1 THR 34 1HG THR 34 5.759 -6.612 13.174
272 1HG2 THR 34 2HG2 THR 34 3.549 -6.310 12.056
273 2HG2 THR 34 3HG2 THR 34 3.580 -7.344 13.505
274 3HG2 THR 34 1HG2 THR 34 2.359 -6.058 13.355
275 H GLN 35 H GLN 35 5.144 -5.620 10.749
276 HA GLN 35 HA GLN 35 7.874 -6.017 11.008
277 HB GLN 35 2HB GLN 35 7.736 -7.127 8.934
278 HB GLN 35 QB GLN 35 7.736 -7.127 8.934
279 HG GLN 35 2HG GLN 35 5.729 -8.401 9.006
280 HG GLN 35 QG GLN 35 5.729 -8.401 9.006
281 1HE2 GLN 35 2HE2 GLN 35 4.886 -8.434 12.753
282 2HE2 GLN 35 1HE2 GLN 35 3.958 -7.986 11.361
283 H SER 36 H SER 36 5.949 -3.617 9.109
284 HA SER 36 HA SER 36 8.279 -2.461 7.999
285 HB SER 36 2HB SER 36 5.771 -0.849 8.100
286 HB SER 36 QB SER 36 5.771 -0.849 8.100
287 HG SER 36 HG SER 36 6.188 -0.950 5.732
288 H LEU 37 H LEU 37 6.405 -2.113 10.959
289 HA LEU 37 HA LEU 37 6.817 0.484 11.665
290 HB LEU 37 2HB LEU 37 7.249 -1.105 13.970
291 HB LEU 37 QB LEU 37 7.249 -1.105 13.970
292 HG LEU 37 HG LEU 37 4.578 -0.151 12.910
293 1HD1 LEU 37 1HD1 LEU 37 5.549 -0.770 15.713
294 2HD1 LEU 37 2HD1 LEU 37 3.970 -0.061 15.302
295 3HD1 LEU 37 3HD1 LEU 37 4.376 -1.706 14.756
296 1HD2 LEU 37 2HD2 LEU 37 6.737 1.361 14.384
297 2HD2 LEU 37 3HD2 LEU 37 5.936 1.777 12.851
298 3HD2 LEU 37 1HD2 LEU 37 5.032 1.868 14.382
299 H GLU 38 H GLU 38 9.127 -2.271 11.796
300 HA GLU 38 HA GLU 38 11.281 -0.475 11.603
301 HB GLU 38 2HB GLU 38 11.496 -0.033 13.829
302 HB GLU 38 QB GLU 38 11.496 -0.033 13.829
303 HG GLU 38 2HG GLU 38 9.254 -1.050 14.333
304 HG GLU 38 QG GLU 38 9.254 -1.050 14.333
305 HE2 GLU 38 HE GLU 38 9.795 -4.022 16.093
306 H LYS 39 H LYS 39 11.427 -1.949 9.727
307 HA LYS 39 HA LYS 39 11.834 -4.721 10.145
308 HB LYS 39 2HB LYS 39 12.435 -2.968 7.745
309 HB LYS 39 QB LYS 39 12.435 -2.968 7.745
310 HG LYS 39 2HG LYS 39 13.360 -5.508 8.127
311 HG LYS 39 QG LYS 39 13.360 -5.508 8.127
312 HD LYS 39 2HD LYS 39 11.473 -6.646 6.455
313 HD LYS 39 QD LYS 39 11.473 -6.646 6.455
314 HE LYS 39 2HE LYS 39 11.165 -6.873 9.462
315 HE LYS 39 QE LYS 39 11.165 -6.873 9.462
316 1HZ LYS 39 1HZ LYS 39 9.941 -8.522 8.458
317 2HZ LYS 39 2HZ LYS 39 10.867 -8.602 7.119
318 H ASP 40 H ASP 40 14.006 -1.889 9.554
319 HA ASP 40 HA ASP 40 15.981 -2.850 11.186
320 HB ASP 40 2HB ASP 40 17.655 -3.222 9.100
321 HB ASP 40 QB ASP 40 17.655 -3.222 9.100
322 HD2 ASP 40 HD ASP 40 17.359 -6.461 8.804
323 H ASP 41 H ASP 41 17.003 -1.865 7.923
324 HA ASP 41 HA ASP 41 17.905 0.617 8.945
325 HB ASP 41 2HB ASP 41 17.877 -0.630 6.163
326 HB ASP 41 QB ASP 41 17.877 -0.630 6.163
327 HD2 ASP 41 HD ASP 41 19.574 1.641 4.564
328 H ILE 42 H ILE 42 16.780 0.757 5.641
329 HA ILE 42 HA ILE 42 14.183 1.820 6.302
330 HB ILE 42 HB ILE 42 16.509 3.531 5.655
331 HG1 ILE 42 2HG1 ILE 42 15.232 5.150 6.997
332 HG1 ILE 42 QG1 ILE 42 15.232 5.150 6.997
333 1HG2 ILE 42 2HG2 ILE 42 13.873 3.740 4.239
334 2HG2 ILE 42 3HG2 ILE 42 14.765 5.215 4.681
335 3HG2 ILE 42 1HG2 ILE 42 15.523 3.999 3.624
336 1HD1 ILE 42 3HD1 ILE 42 13.090 3.140 6.558
337 2HD1 ILE 42 1HD1 ILE 42 13.251 3.692 8.242
338 3HD1 ILE 42 2HD1 ILE 42 12.963 4.873 6.942
339 H ARG 43 H ARG 43 13.441 0.034 5.055
340 HA ARG 43 HA ARG 43 14.437 -0.247 2.410
341 HB ARG 43 2HB ARG 43 12.070 -1.753 2.585
342 HB ARG 43 QB ARG 43 12.070 -1.753 2.585
343 HG ARG 43 2HG ARG 43 14.469 -3.029 3.786
344 HG ARG 43 QG ARG 43 14.469 -3.029 3.786
345 HD ARG 43 2HD ARG 43 13.924 -4.055 1.211
346 HD ARG 43 QD ARG 43 13.924 -4.055 1.211
347 HE ARG 43 HE ARG 43 12.492 -5.296 3.434
348 1HH1 ARG 43 2HH2 ARG 43 15.704 -4.747 2.042
349 2HH1 ARG 43 1HH2 ARG 43 16.411 -6.129 2.814
350 HH2 ARG 43 1HH ARG 43 15.051 -7.507 4.227
351 H HIS 44 H HIS 44 12.030 -0.883 0.974
352 HA HIS 44 HA HIS 44 10.558 1.641 1.064
353 HB HIS 44 2HB HIS 44 10.539 1.541 -1.473
354 HB HIS 44 QB HIS 44 10.539 1.541 -1.473
355 HD1 HIS 44 1HD HIS 44 11.460 3.612 0.596
356 HD2 HIS 44 2HD HIS 44 14.061 1.690 -2.076
357 HE1 HIS 44 1HE HIS 44 13.503 5.125 0.374
358 H ILE 45 H ILE 45 8.399 1.483 -0.055
359 HA ILE 45 HA ILE 45 7.352 -1.223 0.344
360 HB ILE 45 HB ILE 45 5.165 -0.066 0.552
361 HG1 ILE 45 2HG1 ILE 45 6.454 2.556 1.038
362 HG1 ILE 45 QG1 ILE 45 6.454 2.556 1.038
363 1HG2 ILE 45 3HG2 ILE 45 6.912 -0.625 2.442
364 2HG2 ILE 45 1HG2 ILE 45 6.980 1.147 2.596
365 3HG2 ILE 45 2HG2 ILE 45 5.431 0.295 2.798
366 1HD1 ILE 45 2HD1 ILE 45 7.475 1.824 -1.148
367 2HD1 ILE 45 3HD1 ILE 45 5.832 1.567 -1.782
368 3HD1 ILE 45 1HD1 ILE 45 6.363 3.202 -1.321
369 H VAL 46 H VAL 46 5.602 -1.932 -1.175
370 HA VAL 46 HA VAL 46 5.469 -0.587 -3.701
371 HB VAL 46 HB VAL 46 7.292 -2.863 -3.246
372 1HG1 VAL 46 2HG1 VAL 46 5.419 -3.972 -4.439
373 2HG1 VAL 46 3HG1 VAL 46 5.574 -2.777 -5.749
374 3HG1 VAL 46 1HG1 VAL 46 6.909 -3.903 -5.410
375 1HG2 VAL 46 3HG2 VAL 46 7.753 -0.428 -4.088
376 2HG2 VAL 46 1HG2 VAL 46 8.620 -1.798 -4.822
377 3HG2 VAL 46 2HG2 VAL 46 7.230 -1.071 -5.662
378 H LEU 47 H LEU 47 3.235 -0.535 -2.985
379 HA LEU 47 HA LEU 47 1.922 -3.066 -2.585
380 HB LEU 47 2HB LEU 47 -0.110 -1.465 -2.528
381 HB LEU 47 QB LEU 47 -0.110 -1.465 -2.528
382 HG LEU 47 HG LEU 47 0.468 -2.233 -0.413
383 1HD1 LEU 47 3HD1 LEU 47 2.915 -2.405 -0.929
384 2HD1 LEU 47 1HD1 LEU 47 3.073 -0.693 -0.466
385 3HD1 LEU 47 2HD1 LEU 47 2.534 -1.894 0.733
386 1HD2 LEU 47 1HD2 LEU 47 -0.399 0.234 -0.594
387 2HD2 LEU 47 2HD2 LEU 47 0.102 -0.438 0.977
388 3HD2 LEU 47 3HD2 LEU 47 1.201 0.631 0.075
389 H ASN 48 H ASN 48 0.122 -3.822 -3.925
390 HA ASN 48 HA ASN 48 -0.469 -2.647 -6.357
391 HB ASN 48 2HB ASN 48 1.763 -4.690 -6.357
392 HB ASN 48 QB ASN 48 1.763 -4.690 -6.357
393 1HD2 ASN 48 2HD2 ASN 48 1.015 -6.404 -9.332
394 2HD2 ASN 48 1HD2 ASN 48 2.246 -5.860 -8.242
395 H LEU 49 H LEU 49 -2.622 -3.331 -6.200
396 HA LEU 49 HA LEU 49 -3.066 -6.153 -5.529
397 HB LEU 49 2HB LEU 49 -4.148 -3.765 -4.483
398 HB LEU 49 QB LEU 49 -4.148 -3.765 -4.483
399 HG LEU 49 HG LEU 49 -5.931 -4.772 -6.467
400 1HD1 LEU 49 1HD1 LEU 49 -6.472 -5.797 -3.750
401 2HD1 LEU 49 2HD1 LEU 49 -7.846 -5.004 -4.559
402 3HD1 LEU 49 3HD1 LEU 49 -7.027 -6.380 -5.338
403 1HD2 LEU 49 1HD2 LEU 49 -5.497 -2.439 -5.117
404 2HD2 LEU 49 2HD2 LEU 49 -6.894 -2.770 -6.171
405 3HD2 LEU 49 3HD2 LEU 49 -7.038 -2.982 -4.410
406 H GLU 50 H GLU 50 -3.696 -7.478 -7.143
407 HA GLU 50 HA GLU 50 -4.661 -6.169 -9.553
408 HB GLU 50 2HB GLU 50 -4.067 -9.019 -9.840
409 HB GLU 50 QB GLU 50 -4.067 -9.019 -9.840
410 HG GLU 50 2HG GLU 50 -2.205 -7.745 -11.334
411 HG GLU 50 QG GLU 50 -2.205 -7.745 -11.334
412 HE2 GLU 50 HE GLU 50 -4.236 -8.793 -13.892
413 H ASP 51 H ASP 51 -5.554 -8.243 -6.883
414 HA ASP 51 HA ASP 51 -7.914 -9.114 -8.332
415 HB ASP 51 2HB ASP 51 -6.620 -9.989 -5.715
416 HB ASP 51 QB ASP 51 -6.620 -9.989 -5.715
417 HD2 ASP 51 HD ASP 51 -9.252 -12.555 -5.649
418 H LEU 52 H LEU 52 -8.476 -6.623 -8.064
419 HA LEU 52 HA LEU 52 -9.383 -6.000 -5.369
420 HB LEU 52 2HB LEU 52 -9.022 -4.380 -7.883
421 HB LEU 52 QB LEU 52 -9.022 -4.380 -7.883
422 HG LEU 52 HG LEU 52 -9.586 -2.377 -6.671
423 1HD1 LEU 52 2HD1 LEU 52 -11.386 -4.009 -7.775
424 2HD1 LEU 52 3HD1 LEU 52 -12.020 -3.996 -6.112
425 3HD1 LEU 52 1HD1 LEU 52 -11.830 -2.468 -7.003
426 1HD2 LEU 52 3HD2 LEU 52 -8.938 -3.399 -4.410
427 2HD2 LEU 52 1HD2 LEU 52 -10.303 -2.256 -4.446
428 3HD2 LEU 52 2HD2 LEU 52 -10.609 -4.007 -4.350
429 H SER 53 H SER 53 -11.473 -6.183 -4.741
430 HA SER 53 HA SER 53 -13.460 -6.257 -6.856
431 HB SER 53 2HB SER 53 -12.924 -8.379 -4.775
432 HB SER 53 QB SER 53 -12.924 -8.379 -4.775
433 HG SER 53 HG SER 53 -15.102 -9.194 -5.242
434 H PHE 54 H PHE 54 -13.867 -7.091 -3.382
435 HA PHE 54 HA PHE 54 -15.935 -5.275 -3.014
436 HB PHE 54 2HB PHE 54 -13.934 -6.723 -1.191
437 HB PHE 54 QB PHE 54 -13.934 -6.723 -1.191
438 HD1 PHE 54 1HD PHE 54 -16.350 -4.069 -1.202
439 HD2 PHE 54 2HD PHE 54 -14.679 -7.153 1.187
440 HE1 PHE 54 1HE PHE 54 -17.206 -2.931 0.866
441 HE2 PHE 54 2HE PHE 54 -15.535 -6.014 3.255
442 HZ PHE 54 HZ PHE 54 -16.787 -3.917 3.069
443 H MET 55 H MET 55 -12.617 -5.139 -1.518
444 HA MET 55 HA MET 55 -11.581 -3.434 -0.588
445 HB MET 55 2HB MET 55 -11.999 -2.972 -3.469
446 HB MET 55 QB MET 55 -11.999 -2.972 -3.469
447 HG MET 55 2HG MET 55 -10.837 -0.562 -3.079
448 HG MET 55 QG MET 55 -10.837 -0.562 -3.079
449 1HE MET 55 2HE MET 55 -12.252 -2.205 -5.062
450 2HE MET 55 3HE MET 55 -13.635 -2.839 -4.138
451 3HE MET 55 1HE MET 55 -13.912 -1.755 -5.522
452 H ASP 56 H ASP 56 -12.824 -2.703 1.172
453 HA ASP 56 HA ASP 56 -14.785 -0.657 0.543
454 HB ASP 56 2HB ASP 56 -14.482 -1.524 3.366
455 HB ASP 56 QB ASP 56 -14.482 -1.524 3.366
456 HD2 ASP 56 HD ASP 56 -18.036 -1.680 3.362
457 H SER 57 H SER 57 -14.719 0.485 3.277
458 HA SER 57 HA SER 57 -12.266 1.992 2.980
459 HB SER 57 2HB SER 57 -14.671 3.008 3.192
460 HB SER 57 QB SER 57 -14.671 3.008 3.192
461 HG SER 57 HG SER 57 -15.439 3.288 5.269
462 H SER 58 H SER 58 -12.521 -0.815 4.171
463 HA SER 58 HA SER 58 -12.164 -0.438 6.959
464 HB SER 58 2HB SER 58 -11.986 -2.801 7.079
465 HB SER 58 QB SER 58 -11.986 -2.801 7.079
466 HG SER 58 HG SER 58 -13.403 -3.476 5.044
467 H GLY 59 H GLY 59 -10.014 -1.605 4.255
468 1HA GLY 59 1HA GLY 59 -7.644 -1.413 5.839
469 2HA GLY 59 2HA GLY 59 -7.761 -1.720 4.118
470 H LEU 60 H LEU 60 -9.594 0.854 4.009
471 HA LEU 60 HA LEU 60 -7.720 2.574 3.000
472 HB LEU 60 2HB LEU 60 -9.998 3.924 4.224
473 HB LEU 60 QB LEU 60 -9.998 3.924 4.224
474 HG LEU 60 HG LEU 60 -10.632 4.172 1.741
475 1HD1 LEU 60 2HD1 LEU 60 -9.477 5.856 3.288
476 2HD1 LEU 60 3HD1 LEU 60 -7.971 5.396 2.458
477 3HD1 LEU 60 1HD1 LEU 60 -9.318 6.100 1.532
478 1HD2 LEU 60 3HD2 LEU 60 -9.042 2.226 1.129
479 2HD2 LEU 60 1HD2 LEU 60 -9.106 3.654 0.066
480 3HD2 LEU 60 2HD2 LEU 60 -7.758 3.456 1.213
481 H GLY 61 H GLY 61 -8.995 2.316 6.363
482 1HA GLY 61 1HA GLY 61 -7.384 4.530 7.277
483 2HA GLY 61 2HA GLY 61 -8.407 3.476 8.233
484 H VAL 62 H VAL 62 -7.214 0.950 7.156
485 HA VAL 62 HA VAL 62 -5.128 0.716 9.044
486 HB VAL 62 HB VAL 62 -6.825 -0.953 7.578
487 1HG1 VAL 62 1HG1 VAL 62 -3.917 -1.504 6.901
488 2HG1 VAL 62 2HG1 VAL 62 -5.246 -2.669 6.682
489 3HG1 VAL 62 3HG1 VAL 62 -5.238 -1.142 5.766
490 1HG2 VAL 62 1HG2 VAL 62 -5.834 -1.022 9.994
491 2HG2 VAL 62 2HG2 VAL 62 -6.271 -2.543 9.179
492 3HG2 VAL 62 3HG2 VAL 62 -4.568 -2.030 9.254
493 H ILE 63 H ILE 63 -5.298 1.789 5.726
494 HA ILE 63 HA ILE 63 -2.449 1.304 5.345
495 HB ILE 63 HB ILE 63 -4.781 1.862 3.593
496 HG1 ILE 63 2HG1 ILE 63 -3.117 -0.312 4.123
497 HG1 ILE 63 QG1 ILE 63 -3.117 -0.312 4.123
498 1HG2 ILE 63 2HG2 ILE 63 -3.246 3.743 3.116
499 2HG2 ILE 63 3HG2 ILE 63 -1.956 2.570 2.757
500 3HG2 ILE 63 1HG2 ILE 63 -3.421 2.620 1.746
501 1HD1 ILE 63 2HD1 ILE 63 -5.521 0.223 2.830
502 2HD1 ILE 63 3HD1 ILE 63 -4.491 -0.378 1.508
503 3HD1 ILE 63 1HD1 ILE 63 -4.757 -1.379 2.956
504 H LEU 64 H LEU 64 -4.863 3.880 5.882
505 HA LEU 64 HA LEU 64 -3.048 5.996 5.348
506 HB LEU 64 2HB LEU 64 -5.415 6.375 7.108
507 HB LEU 64 QB LEU 64 -5.415 6.375 7.108
508 HG LEU 64 HG LEU 64 -3.868 8.064 5.486
509 1HD1 LEU 64 2HD1 LEU 64 -6.379 7.216 4.112
510 2HD1 LEU 64 3HD1 LEU 64 -5.929 8.938 4.063
511 3HD1 LEU 64 1HD1 LEU 64 -4.807 7.707 3.438
512 1HD2 LEU 64 1HD2 LEU 64 -5.422 8.378 7.601
513 2HD2 LEU 64 2HD2 LEU 64 -5.037 9.737 6.518
514 3HD2 LEU 64 3HD2 LEU 64 -6.599 8.897 6.370
515 H GLY 65 H GLY 65 -4.206 4.295 8.318
516 1HA GLY 65 1HA GLY 65 -2.818 5.905 10.160
517 2HA GLY 65 2HA GLY 65 -3.410 4.276 10.420
518 H ARG 66 H ARG 66 -1.692 3.604 7.803
519 HA ARG 66 HA ARG 66 0.680 3.089 9.379
520 HB ARG 66 2HB ARG 66 0.881 1.778 6.855
521 HB ARG 66 QB ARG 66 0.881 1.778 6.855
522 HG ARG 66 2HG ARG 66 1.209 1.087 9.465
523 HG ARG 66 QG ARG 66 1.209 1.087 9.465
524 HD ARG 66 2HD ARG 66 -0.460 -0.351 10.288
525 HD ARG 66 QD ARG 66 -0.460 -0.351 10.288
526 HE ARG 66 HE ARG 66 -1.503 2.095 9.196
527 1HH1 ARG 66 2HH2 ARG 66 -2.608 -0.987 10.548
528 2HH1 ARG 66 1HH2 ARG 66 -4.114 -0.342 11.111
529 HH2 ARG 66 1HH ARG 66 -4.611 1.973 10.740
530 H TYR 67 H TYR 67 -0.447 4.397 6.200
531 HA TYR 67 HA TYR 67 1.845 4.921 4.908
532 HB TYR 67 2HB TYR 67 -0.132 7.189 5.260
533 HB TYR 67 QB TYR 67 -0.132 7.189 5.260
534 HD1 TYR 67 1HD TYR 67 1.503 8.324 3.745
535 HD2 TYR 67 2HD TYR 67 -0.570 4.768 2.577
536 HE1 TYR 67 1HE TYR 67 2.081 8.778 1.311
537 HE2 TYR 67 2HE TYR 67 0.014 5.234 0.147
538 HH TYR 67 HH TYR 67 1.767 6.448 -1.080
539 H LYS 68 H LYS 68 0.606 6.617 7.812
540 HA LYS 68 HA LYS 68 2.589 8.673 7.635
541 HB LYS 68 2HB LYS 68 1.635 9.493 9.669
542 HB LYS 68 QB LYS 68 1.635 9.493 9.669
543 HG LYS 68 2HG LYS 68 -0.977 8.804 8.974
544 HG LYS 68 QG LYS 68 -0.977 8.804 8.974
545 HD LYS 68 2HD LYS 68 -0.978 10.892 7.691
546 HD LYS 68 QD LYS 68 -0.978 10.892 7.691
547 HE LYS 68 2HE LYS 68 0.083 10.652 10.335
548 HE LYS 68 QE LYS 68 0.083 10.652 10.335
549 1HZ LYS 68 1HZ LYS 68 2.187 11.484 9.521
550 2HZ LYS 68 2HZ LYS 68 1.480 12.694 8.690
551 H GLN 69 H GLN 69 2.166 5.530 9.302
552 HA GLN 69 HA GLN 69 4.393 5.886 10.971
553 HB GLN 69 2HB GLN 69 2.770 3.472 10.101
554 HB GLN 69 QB GLN 69 2.770 3.472 10.101
555 HG GLN 69 2HG GLN 69 4.362 2.937 12.445
556 HG GLN 69 QG GLN 69 4.362 2.937 12.445
557 1HE2 GLN 69 2HE2 GLN 69 5.055 0.665 9.091
558 2HE2 GLN 69 1HE2 GLN 69 5.612 2.296 9.260
559 H ILE 70 H ILE 70 3.858 4.110 7.854
560 HA ILE 70 HA ILE 70 6.401 3.065 7.605
561 HB ILE 70 HB ILE 70 4.564 2.336 6.256
562 HG1 ILE 70 2HG1 ILE 70 6.731 3.598 4.550
563 HG1 ILE 70 QG1 ILE 70 6.731 3.598 4.550
564 1HG2 ILE 70 2HG2 ILE 70 3.347 4.447 6.065
565 2HG2 ILE 70 3HG2 ILE 70 4.600 5.082 4.972
566 3HG2 ILE 70 1HG2 ILE 70 3.597 3.700 4.468
567 1HD1 ILE 70 1HD1 ILE 70 6.508 1.067 6.191
568 2HD1 ILE 70 2HD1 ILE 70 7.471 1.065 4.694
569 3HD1 ILE 70 3HD1 ILE 70 7.889 2.177 6.019
570 H LYS 71 H LYS 71 5.161 6.355 7.068
571 HA LYS 71 HA LYS 71 7.512 7.203 5.675
572 HB LYS 71 2HB LYS 71 6.036 9.398 6.762
573 HB LYS 71 QB LYS 71 6.036 9.398 6.762
574 HG LYS 71 2HG LYS 71 5.251 8.985 4.095
575 HG LYS 71 QG LYS 71 5.251 8.985 4.095
576 HD LYS 71 2HD LYS 71 6.461 10.967 5.413
577 HD LYS 71 QD LYS 71 6.461 10.967 5.413
578 HE LYS 71 2HE LYS 71 8.839 10.981 4.075
579 HE LYS 71 QE LYS 71 8.839 10.981 4.075
580 1HZ LYS 71 1HZ LYS 71 8.038 10.743 6.708
581 2HZ LYS 71 2HZ LYS 71 9.153 9.570 6.525
582 H GLN 72 H GLN 72 6.302 7.159 9.042
583 HA GLN 72 HA GLN 72 8.181 8.909 10.073
584 HB GLN 72 2HB GLN 72 6.020 7.520 11.061
585 HB GLN 72 QB GLN 72 6.020 7.520 11.061
586 HG GLN 72 2HG GLN 72 8.530 6.406 12.401
587 HG GLN 72 QG GLN 72 8.530 6.406 12.401
588 1HE2 GLN 72 2HE2 GLN 72 6.631 4.993 15.027
589 2HE2 GLN 72 1HE2 GLN 72 8.034 4.823 14.026
590 H ILE 73 H ILE 73 8.599 5.831 8.645
591 HA ILE 73 HA ILE 73 10.792 4.992 10.292
592 HB ILE 73 HB ILE 73 10.140 3.922 7.566
593 HG1 ILE 73 2HG1 ILE 73 8.507 2.387 8.706
594 HG1 ILE 73 QG1 ILE 73 8.507 2.387 8.706
595 1HG2 ILE 73 2HG2 ILE 73 11.864 3.179 9.733
596 2HG2 ILE 73 3HG2 ILE 73 10.638 1.910 9.493
597 3HG2 ILE 73 1HG2 ILE 73 11.668 2.421 8.134
598 1HD1 ILE 73 3HD1 ILE 73 9.002 4.390 10.929
599 2HD1 ILE 73 1HD1 ILE 73 7.418 3.595 10.762
600 3HD1 ILE 73 2HD1 ILE 73 8.880 2.617 11.031
601 H GLY 74 H GLY 74 10.274 6.778 7.238
602 1HA GLY 74 1HA GLY 74 11.921 8.467 6.723
603 2HA GLY 74 2HA GLY 74 13.176 7.345 7.208
604 H GLY 75 H GLY 75 10.228 6.620 5.248
605 1HA GLY 75 1HA GLY 75 11.983 6.153 2.916
606 2HA GLY 75 2HA GLY 75 10.831 4.946 3.451
607 H GLU 76 H GLU 76 9.396 4.952 1.710
608 HA GLU 76 HA GLU 76 7.726 7.284 1.576
609 HB GLU 76 2HB GLU 76 8.190 7.952 -0.563
610 HB GLU 76 QB GLU 76 8.190 7.952 -0.563
611 HG GLU 76 2HG GLU 76 10.617 7.191 -1.269
612 HG GLU 76 QG GLU 76 10.617 7.191 -1.269
613 HE1 GLU 76 HE GLU 76 10.024 10.367 0.193
614 H MET 77 H MET 77 5.615 6.820 0.602
615 HA MET 77 HA MET 77 5.136 3.945 0.545
616 HB MET 77 2HB MET 77 2.786 4.570 1.170
617 HB MET 77 QB MET 77 2.786 4.570 1.170
618 HG MET 77 2HG MET 77 4.631 4.364 2.957
619 HG MET 77 QG MET 77 4.631 4.364 2.957
620 1HE MET 77 2HE MET 77 6.688 4.946 3.058
621 2HE MET 77 3HE MET 77 7.448 6.535 3.310
622 3HE MET 77 1HE MET 77 6.591 5.736 4.650
623 H VAL 78 H VAL 78 4.461 3.005 -1.346
624 HA VAL 78 HA VAL 78 3.294 4.779 -3.366
625 HB VAL 78 HB VAL 78 5.428 2.684 -3.818
626 1HG1 VAL 78 2HG1 VAL 78 3.891 4.457 -5.739
627 2HG1 VAL 78 3HG1 VAL 78 5.401 3.616 -6.167
628 3HG1 VAL 78 1HG1 VAL 78 3.961 2.678 -5.704
629 1HG2 VAL 78 2HG2 VAL 78 5.517 5.620 -3.416
630 2HG2 VAL 78 3HG2 VAL 78 6.763 4.381 -3.136
631 3HG2 VAL 78 1HG2 VAL 78 6.473 4.995 -4.781
632 H VAL 79 H VAL 79 1.443 3.986 -4.276
633 HA VAL 79 HA VAL 79 0.951 1.119 -4.021
634 HB VAL 79 HB VAL 79 -0.079 2.101 -2.077
635 1HG1 VAL 79 1HG1 VAL 79 -1.279 4.050 -4.053
636 2HG1 VAL 79 2HG1 VAL 79 -1.994 3.769 -2.447
637 3HG1 VAL 79 3HG1 VAL 79 -0.331 4.389 -2.585
638 1HG2 VAL 79 1HG2 VAL 79 -2.028 1.327 -4.265
639 2HG2 VAL 79 2HG2 VAL 79 -1.316 0.286 -3.009
640 3HG2 VAL 79 3HG2 VAL 79 -2.499 1.538 -2.561
641 H CYS 80 H CYS 80 -0.021 0.244 -5.823
642 HA CYS 80 HA CYS 80 -0.991 2.185 -7.791
643 HB CYS 80 2HB CYS 80 1.175 1.419 -8.552
644 HB CYS 80 QB CYS 80 1.175 1.419 -8.552
645 HG CYS 80 HG CYS 80 0.845 -1.440 -9.412
646 H ALA 81 H ALA 81 -1.944 0.263 -9.666
647 HA ALA 81 HA ALA 81 -3.571 -1.193 -10.073
648 1HB ALA 81 2HB ALA 81 -2.537 -2.072 -7.515
649 2HB ALA 81 3HB ALA 81 -4.300 -2.306 -7.571
650 3HB ALA 81 1HB ALA 81 -3.266 -3.034 -8.824
651 H ILE 82 H ILE 82 -4.183 1.466 -9.844
652 HA ILE 82 HA ILE 82 -6.264 1.902 -7.950
653 HB ILE 82 HB ILE 82 -4.702 3.616 -8.938
654 HG1 ILE 82 2HG1 ILE 82 -7.632 4.324 -9.210
655 HG1 ILE 82 QG1 ILE 82 -7.632 4.324 -9.210
656 1HG2 ILE 82 1HG2 ILE 82 -4.837 2.959 -11.277
657 2HG2 ILE 82 2HG2 ILE 82 -6.569 3.365 -11.313
658 3HG2 ILE 82 3HG2 ILE 82 -5.359 4.647 -11.069
659 1HD1 ILE 82 1HD1 ILE 82 -6.001 3.491 -6.835
660 2HD1 ILE 82 2HD1 ILE 82 -7.044 4.919 -6.639
661 3HD1 ILE 82 3HD1 ILE 82 -7.755 3.358 -7.112
662 H SER 83 H SER 83 -8.499 2.722 -8.843
663 HA SER 83 HA SER 83 -9.331 1.349 -11.198
664 HB SER 83 2HB SER 83 -10.453 -0.409 -10.293
665 HB SER 83 QB SER 83 -10.453 -0.409 -10.293
666 HG SER 83 HG SER 83 -8.510 -0.663 -9.083
667 HA PRO 84 HA PRO 84 -12.239 4.580 -11.037
668 HB PRO 84 2HB PRO 84 -12.810 4.310 -13.250
669 HB PRO 84 QB PRO 84 -12.810 4.310 -13.250
670 HG PRO 84 2HG PRO 84 -12.413 2.201 -14.097
671 HG PRO 84 QG PRO 84 -12.413 2.201 -14.097
672 HD PRO 84 2HD PRO 84 -10.767 1.488 -12.660
673 HD PRO 84 QD PRO 84 -10.767 1.488 -12.660
674 H ALA 85 H ALA 85 -12.698 1.817 -9.382
675 HA ALA 85 HA ALA 85 -15.004 3.021 -8.038
676 1HB ALA 85 1HB ALA 85 -15.256 0.848 -9.707
677 2HB ALA 85 2HB ALA 85 -14.973 0.064 -8.134
678 3HB ALA 85 3HB ALA 85 -16.329 1.201 -8.331
679 H VAL 86 H VAL 86 -12.063 3.061 -7.554
680 HA VAL 86 HA VAL 86 -12.184 1.931 -4.873
681 HB VAL 86 HB VAL 86 -10.205 1.225 -7.017
682 1HG1 VAL 86 2HG1 VAL 86 -9.660 1.614 -4.103
683 2HG1 VAL 86 3HG1 VAL 86 -8.942 0.196 -4.905
684 3HG1 VAL 86 1HG1 VAL 86 -8.592 1.834 -5.510
685 1HG2 VAL 86 2HG2 VAL 86 -12.319 -0.138 -5.992
686 2HG2 VAL 86 3HG2 VAL 86 -10.870 -0.911 -6.678
687 3HG2 VAL 86 1HG2 VAL 86 -11.017 -0.700 -4.916
688 H LYS 87 H LYS 87 -10.644 4.030 -7.344
689 HA LYS 87 HA LYS 87 -9.089 5.443 -5.422
690 HB LYS 87 2HB LYS 87 -8.891 5.107 -8.083
691 HB LYS 87 QB LYS 87 -8.891 5.107 -8.083
692 HG LYS 87 2HG LYS 87 -9.720 8.003 -7.934
693 HG LYS 87 QG LYS 87 -9.720 8.003 -7.934
694 HD LYS 87 2HD LYS 87 -10.446 7.233 -10.366
695 HD LYS 87 QD LYS 87 -10.446 7.233 -10.366
696 HE LYS 87 2HE LYS 87 -7.516 7.070 -10.339
697 HE LYS 87 QE LYS 87 -7.516 7.070 -10.339
698 1HZ LYS 87 1HZ LYS 87 -9.353 8.204 -11.894
699 2HZ LYS 87 2HZ LYS 87 -8.941 9.516 -11.021
700 H ARG 88 H ARG 88 -12.417 5.322 -6.137
701 HA ARG 88 HA ARG 88 -12.997 8.047 -5.864
702 HB ARG 88 2HB ARG 88 -14.807 6.952 -6.814
703 HB ARG 88 QB ARG 88 -14.807 6.952 -6.814
704 HG ARG 88 2HG ARG 88 -13.923 4.687 -6.699
705 HG ARG 88 QG ARG 88 -13.923 4.687 -6.699
706 HD ARG 88 2HD ARG 88 -14.254 5.126 -3.742
707 HD ARG 88 QD ARG 88 -14.254 5.126 -3.742
708 HE ARG 88 HE ARG 88 -14.164 2.304 -4.438
709 1HH1 ARG 88 2HH2 ARG 88 -16.382 5.002 -3.844
710 2HH1 ARG 88 1HH2 ARG 88 -17.702 3.979 -3.386
711 HH2 ARG 88 1HH ARG 88 -17.399 1.602 -3.386
712 H LEU 89 H LEU 89 -11.978 5.603 -3.649
713 HA LEU 89 HA LEU 89 -13.399 6.550 -1.365
714 HB LEU 89 2HB LEU 89 -11.132 5.135 -0.536
715 HB LEU 89 QB LEU 89 -11.132 5.135 -0.536
716 HG LEU 89 HG LEU 89 -13.922 4.133 -1.155
717 1HD1 LEU 89 2HD1 LEU 89 -11.819 2.474 -1.029
718 2HD1 LEU 89 3HD1 LEU 89 -12.163 2.631 0.711
719 3HD1 LEU 89 1HD1 LEU 89 -13.431 2.056 -0.399
720 1HD2 LEU 89 2HD2 LEU 89 -13.066 5.858 0.828
721 2HD2 LEU 89 3HD2 LEU 89 -14.555 4.882 0.847
722 3HD2 LEU 89 1HD2 LEU 89 -13.082 4.273 1.639
723 H PHE 90 H PHE 90 -10.095 7.000 -2.755
724 HA PHE 90 HA PHE 90 -9.418 8.818 -0.625
725 HB PHE 90 2HB PHE 90 -7.254 8.841 -1.844
726 HB PHE 90 QB PHE 90 -7.254 8.841 -1.844
727 HD1 PHE 90 2HD PHE 90 -7.118 7.346 0.206
728 HD2 PHE 90 1HD PHE 90 -8.178 5.879 -3.631
729 HE1 PHE 90 2HE PHE 90 -6.546 5.016 0.940
730 HE2 PHE 90 1HE PHE 90 -7.606 3.548 -2.897
731 HZ PHE 90 HZ PHE 90 -6.797 3.143 -0.621
732 H ASP 91 H ASP 91 -10.900 8.934 -3.787
733 HA ASP 91 HA ASP 91 -10.039 11.496 -4.496
734 HB ASP 91 2HB ASP 91 -12.713 10.880 -5.484
735 HB ASP 91 QB ASP 91 -12.713 10.880 -5.484
736 HD2 ASP 91 HD ASP 91 -11.041 12.421 -8.102
737 H MET 92 H MET 92 -12.714 10.130 -2.540
738 HA MET 92 HA MET 92 -13.964 12.714 -2.311
739 HB MET 92 2HB MET 92 -15.282 11.006 -0.552
740 HB MET 92 QB MET 92 -15.282 11.006 -0.552
741 HG MET 92 2HG MET 92 -15.590 11.499 -3.532
742 HG MET 92 QG MET 92 -15.590 11.499 -3.532
743 1HE MET 92 1HE MET 92 -18.589 11.601 -2.070
744 2HE MET 92 2HE MET 92 -19.478 10.114 -2.481
745 3HE MET 92 3HE MET 92 -18.614 10.235 -0.929
746 H SER 93 H SER 93 -11.776 10.574 -0.541
747 HA SER 93 HA SER 93 -12.237 11.635 1.994
748 HB SER 93 2HB SER 93 -9.580 10.508 1.050
749 HB SER 93 QB SER 93 -9.580 10.508 1.050
750 HG SER 93 HG SER 93 -11.090 10.446 3.515
751 H GLY 94 H GLY 94 -10.433 12.736 -0.831
752 1HA GLY 94 1HA GLY 94 -9.337 14.654 -1.253
753 2HA GLY 94 2HA GLY 94 -10.041 15.322 0.206
754 H LEU 95 H LEU 95 -8.297 12.343 0.691
755 HA LEU 95 HA LEU 95 -5.963 13.885 1.588
756 HB LEU 95 2HB LEU 95 -6.712 11.358 2.965
757 HB LEU 95 QB LEU 95 -6.712 11.358 2.965
758 HG LEU 95 HG LEU 95 -6.203 13.660 4.649
759 1HD1 LEU 95 2HD1 LEU 95 -5.586 10.838 4.480
760 2HD1 LEU 95 3HD1 LEU 95 -4.150 11.779 4.945
761 3HD1 LEU 95 1HD1 LEU 95 -5.647 11.912 5.899
762 1HD2 LEU 95 2HD2 LEU 95 -4.302 13.172 2.387
763 2HD2 LEU 95 3HD2 LEU 95 -4.799 14.698 3.159
764 3HD2 LEU 95 1HD2 LEU 95 -3.659 13.610 3.989
765 H PHE 96 H PHE 96 -6.919 12.165 -0.908
766 HA PHE 96 HA PHE 96 -5.582 9.839 -1.116
767 HB PHE 96 2HB PHE 96 -5.183 11.757 -3.385
768 HB PHE 96 QB PHE 96 -5.183 11.757 -3.385
769 HD1 PHE 96 1HD PHE 96 -4.841 8.690 -2.586
770 HD2 PHE 96 2HD PHE 96 -7.634 10.880 -4.912
771 HE1 PHE 96 1HE PHE 96 -5.328 6.632 -3.939
772 HE2 PHE 96 2HE PHE 96 -8.121 8.822 -6.265
773 HZ PHE 96 HZ PHE 96 -6.962 6.722 -5.762
774 H LYS 97 H LYS 97 -4.188 13.085 -0.877
775 HA LYS 97 HA LYS 97 -1.679 12.501 -1.978
776 HB LYS 97 2HB LYS 97 -1.045 14.603 -1.213
777 HB LYS 97 QB LYS 97 -1.045 14.603 -1.213
778 HG LYS 97 2HG LYS 97 -4.002 15.098 -0.948
779 HG LYS 97 QG LYS 97 -4.002 15.098 -0.948
780 HD LYS 97 2HD LYS 97 -2.075 16.288 -2.963
781 HD LYS 97 QD LYS 97 -2.075 16.288 -2.963
782 HE LYS 97 2HE LYS 97 -4.437 17.426 -1.392
783 HE LYS 97 QE LYS 97 -4.437 17.426 -1.392
784 1HZ LYS 97 1HZ LYS 97 -3.803 18.855 -3.699
785 2HZ LYS 97 2HZ LYS 97 -3.659 19.372 -2.161
786 H ILE 98 H ILE 98 -3.230 11.614 1.034
787 HA ILE 98 HA ILE 98 -0.713 11.061 2.340
788 HB ILE 98 HB ILE 98 -3.229 11.746 3.204
789 HG1 ILE 98 2HG1 ILE 98 -2.202 11.989 5.213
790 HG1 ILE 98 QG1 ILE 98 -2.202 11.989 5.213
791 1HG2 ILE 98 1HG2 ILE 98 -2.809 8.789 3.692
792 2HG2 ILE 98 2HG2 ILE 98 -3.918 9.808 4.642
793 3HG2 ILE 98 3HG2 ILE 98 -4.189 9.585 2.897
794 1HD1 ILE 98 2HD1 ILE 98 -1.209 9.181 4.721
795 2HD1 ILE 98 3HD1 ILE 98 -0.349 10.209 5.893
796 3HD1 ILE 98 1HD1 ILE 98 -2.075 9.840 6.130
797 H ILE 99 H ILE 99 -2.538 9.628 -0.091
798 HA ILE 99 HA ILE 99 -1.647 6.954 0.740
799 HB ILE 99 HB ILE 99 -4.026 7.833 -0.887
800 HG1 ILE 99 2HG1 ILE 99 -5.304 6.636 0.810
801 HG1 ILE 99 QG1 ILE 99 -5.304 6.636 0.810
802 1HG2 ILE 99 3HG2 ILE 99 -2.839 5.063 -0.595
803 2HG2 ILE 99 1HG2 ILE 99 -4.494 5.390 -1.163
804 3HG2 ILE 99 2HG2 ILE 99 -3.099 5.989 -2.093
805 1HD1 ILE 99 1HD1 ILE 99 -2.771 5.455 1.424
806 2HD1 ILE 99 2HD1 ILE 99 -3.267 6.402 2.847
807 3HD1 ILE 99 3HD1 ILE 99 -4.340 5.137 2.202
808 H ARG 100 H ARG 100 -1.231 9.612 -1.413
809 HA ARG 100 HA ARG 100 -0.397 9.763 -3.462
810 HB ARG 100 2HB ARG 100 1.922 8.045 -2.641
811 HB ARG 100 QB ARG 100 1.922 8.045 -2.641
812 HG ARG 100 2HG ARG 100 3.122 10.239 -3.062
813 HG ARG 100 QG ARG 100 3.122 10.239 -3.062
814 HD ARG 100 2HD ARG 100 1.365 9.815 -5.467
815 HD ARG 100 QD ARG 100 1.365 9.815 -5.467
816 HE ARG 100 HE ARG 100 4.271 9.454 -5.570
817 1HH1 ARG 100 2HH2 ARG 100 1.656 11.845 -5.608
818 2HH1 ARG 100 1HH2 ARG 100 2.603 13.052 -6.410
819 HH2 ARG 100 1HH ARG 100 4.873 12.561 -7.002
820 H PHE 101 H PHE 101 -1.930 8.401 -4.678
821 HA PHE 101 HA PHE 101 -0.915 5.713 -5.245
822 HB PHE 101 2HB PHE 101 -3.570 6.771 -6.230
823 HB PHE 101 QB PHE 101 -3.570 6.771 -6.230
824 HD1 PHE 101 1HD PHE 101 -3.266 4.710 -7.645
825 HD2 PHE 101 2HD PHE 101 -3.559 4.534 -3.415
826 HE1 PHE 101 1HE PHE 101 -3.824 2.267 -7.785
827 HE2 PHE 101 2HE PHE 101 -4.117 2.091 -3.555
828 HZ PHE 101 HZ PHE 101 -4.242 0.987 -5.739
829 H GLU 102 H GLU 102 -1.475 4.980 -7.612
830 HA GLU 102 HA GLU 102 -1.101 7.209 -9.429
831 HB GLU 102 2HB GLU 102 0.487 4.815 -10.148
832 HB GLU 102 QB GLU 102 0.487 4.815 -10.148
833 HG GLU 102 2HG GLU 102 2.159 7.028 -10.039
834 HG GLU 102 QG GLU 102 2.159 7.028 -10.039
835 HE2 GLU 102 HE GLU 102 2.758 6.325 -13.004
836 H GLN 103 H GLN 103 -0.520 5.054 -11.578
837 HA GLN 103 HA GLN 103 -2.993 3.600 -11.581
838 HB GLN 103 2HB GLN 103 -3.956 4.572 -13.505
839 HB GLN 103 QB GLN 103 -3.956 4.572 -13.505
840 HG GLN 103 2HG GLN 103 -2.594 6.801 -11.927
841 HG GLN 103 QG GLN 103 -2.594 6.801 -11.927
842 1HE2 GLN 103 2HE2 GLN 103 -4.699 9.304 -13.420
843 2HE2 GLN 103 1HE2 GLN 103 -4.104 8.739 -11.894
844 H SER 104 H SER 104 -1.722 1.694 -11.594
845 HA SER 104 HA SER 104 -0.371 0.159 -12.351
846 HB SER 104 2HB SER 104 -1.551 1.150 -14.978
847 HB SER 104 QB SER 104 -1.551 1.150 -14.978
848 HG SER 104 HG SER 104 -0.978 -0.996 -15.769
849 H GLU 105 H GLU 105 -0.072 2.751 -14.900
850 HA GLU 105 HA GLU 105 2.350 2.395 -15.781
851 HB GLU 105 2HB GLU 105 1.099 5.023 -14.897
852 HB GLU 105 QB GLU 105 1.099 5.023 -14.897
853 HG GLU 105 2HG GLU 105 3.783 4.458 -16.061
854 HG GLU 105 QG GLU 105 3.783 4.458 -16.061
855 HE1 GLU 105 HE GLU 105 2.683 4.331 -18.297
856 H GLN 106 H GLN 106 1.565 3.407 -12.465
857 HA GLN 106 HA GLN 106 4.077 4.322 -11.751
858 HB GLN 106 2HB GLN 106 1.649 3.317 -10.302
859 HB GLN 106 QB GLN 106 1.649 3.317 -10.302
860 HG GLN 106 2HG GLN 106 4.438 3.539 -9.118
861 HG GLN 106 QG GLN 106 4.438 3.539 -9.118
862 1HE2 GLN 106 2HE2 GLN 106 1.819 3.617 -6.064
863 2HE2 GLN 106 1HE2 GLN 106 2.098 2.275 -7.122
864 H GLN 107 H GLN 107 3.103 1.213 -12.729
865 HA GLN 107 HA GLN 107 4.120 -0.619 -11.177
866 HB GLN 107 2HB GLN 107 3.359 -0.682 -13.708
867 HB GLN 107 QB GLN 107 3.359 -0.682 -13.708
868 HG GLN 107 2HG GLN 107 6.378 -0.999 -14.011
869 HG GLN 107 QG GLN 107 6.378 -0.999 -14.011
870 1HE2 GLN 107 2HE2 GLN 107 5.282 -0.764 -17.668
871 2HE2 GLN 107 1HE2 GLN 107 5.986 0.384 -16.579
872 H ALA 108 H ALA 108 6.011 1.920 -12.783
873 HA ALA 108 HA ALA 108 8.517 0.664 -12.047
874 1HB ALA 108 1HB ALA 108 7.707 2.294 -14.124
875 2HB ALA 108 2HB ALA 108 8.534 3.443 -13.046
876 3HB ALA 108 3HB ALA 108 9.397 2.007 -13.647
877 H LEU 109 H LEU 109 6.646 3.690 -11.313
878 HA LEU 109 HA LEU 109 8.416 4.580 -9.339
879 HB LEU 109 2HB LEU 109 5.779 5.478 -8.786
880 HB LEU 109 QB LEU 109 5.779 5.478 -8.786
881 HG LEU 109 HG LEU 109 8.125 6.713 -10.229
882 1HD1 LEU 109 1HD1 LEU 109 5.316 7.595 -10.224
883 2HD1 LEU 109 2HD1 LEU 109 6.488 8.835 -9.718
884 3HD1 LEU 109 3HD1 LEU 109 6.665 8.037 -11.299
885 1HD2 LEU 109 1HD2 LEU 109 7.955 6.311 -7.651
886 2HD2 LEU 109 2HD2 LEU 109 8.555 7.865 -8.280
887 3HD2 LEU 109 3HD2 LEU 109 6.879 7.728 -7.697
888 H LEU 110 H LEU 110 6.089 1.988 -9.409
889 HA LEU 110 HA LEU 110 5.207 1.868 -6.832
890 HB LEU 110 2HB LEU 110 6.070 -0.686 -8.045
891 HB LEU 110 QB LEU 110 6.070 -0.686 -8.045
892 HG LEU 110 HG LEU 110 3.210 0.083 -7.647
893 1HD1 LEU 110 1HD1 LEU 110 4.863 -2.383 -7.740
894 2HD1 LEU 110 2HD1 LEU 110 3.459 -2.392 -6.645
895 3HD1 LEU 110 3HD1 LEU 110 3.233 -2.059 -8.380
896 1HD2 LEU 110 3HD2 LEU 110 5.211 0.148 -5.514
897 2HD2 LEU 110 1HD2 LEU 110 3.525 0.719 -5.531
898 3HD2 LEU 110 2HD2 LEU 110 3.881 -0.992 -5.195
899 H THR 111 H THR 111 8.390 0.824 -8.171
900 HA THR 111 HA THR 111 9.381 -0.379 -5.878
901 HB THR 111 HB THR 111 10.296 0.552 -8.485
902 HG1 THR 111 1HG THR 111 11.604 -1.338 -8.055
903 1HG2 THR 111 1HG2 THR 111 12.256 0.833 -6.145
904 2HG2 THR 111 2HG2 THR 111 12.686 0.880 -7.871
905 3HG2 THR 111 3HG2 THR 111 11.691 2.177 -7.166
906 H LEU 112 H LEU 112 8.264 2.778 -6.158
907 HA LEU 112 HA LEU 112 8.203 4.227 -4.401
908 HB LEU 112 2HB LEU 112 10.803 2.985 -3.488
909 HB LEU 112 QB LEU 112 10.803 2.985 -3.488
910 HG LEU 112 HG LEU 112 9.324 5.312 -2.514
911 1HD1 LEU 112 1HD1 LEU 112 8.318 3.587 -1.047
912 2HD1 LEU 112 2HD1 LEU 112 9.951 3.144 -0.493
913 3HD1 LEU 112 3HD1 LEU 112 9.311 4.772 -0.163
914 1HD2 LEU 112 2HD2 LEU 112 12.041 4.101 -2.256
915 2HD2 LEU 112 3HD2 LEU 112 11.554 5.739 -2.753
916 3HD2 LEU 112 1HD2 LEU 112 11.519 5.284 -1.033
917 H GLY 113 H GLY 113 9.318 4.289 -7.168
918 1HA GLY 113 1HA GLY 113 10.635 5.571 -8.493
919 2HA GLY 113 2HA GLY 113 10.060 6.854 -7.447
920 H VAL 114 H VAL 114 12.063 4.215 -6.148
921 HA VAL 114 HA VAL 114 14.408 5.956 -6.237
922 HB VAL 114 HB VAL 114 13.001 4.881 -3.815
923 1HG1 VAL 114 3HG1 VAL 114 15.940 5.062 -4.249
924 2HG1 VAL 114 1HG1 VAL 114 15.315 5.709 -2.713
925 3HG1 VAL 114 2HG1 VAL 114 15.000 4.015 -3.158
926 1HG2 VAL 114 1HG2 VAL 114 12.694 7.248 -4.634
927 2HG2 VAL 114 2HG2 VAL 114 13.283 7.098 -2.960
928 3HG2 VAL 114 3HG2 VAL 114 14.413 7.526 -4.265
929 H ALA 115 H ALA 115 14.738 4.310 -8.042
930 HA ALA 115 HA ALA 115 16.699 2.599 -7.558
931 1HB ALA 115 3HB ALA 115 14.170 1.481 -6.509
932 2HB ALA 115 1HB ALA 115 15.066 0.383 -7.584
933 3HB ALA 115 2HB ALA 115 15.855 1.047 -6.134
934 H SER 116 H SER 116 17.249 3.119 -9.667
935 HA SER 116 HA SER 116 16.700 1.571 -11.690
936 HB SER 116 2HB SER 116 14.378 3.432 -11.318
937 HB SER 116 QB SER 116 14.378 3.432 -11.318
938 HG SER 116 HG SER 116 14.648 4.192 -13.318
No H/Q in entry = 795
Start of MODEL 19
1 H SER 1 H SER 1 -10.530 -14.864 -2.614
2 HA SER 1 HA SER 1 -10.720 -15.686 -0.061
3 HB SER 1 2HB SER 1 -9.031 -17.512 0.145
4 HB SER 1 QB SER 1 -9.031 -17.512 0.145
5 HG SER 1 HG SER 1 -10.363 -19.200 -0.646
6 H LEU 2 H LEU 2 -9.813 -13.686 0.440
7 HA LEU 2 HA LEU 2 -7.978 -12.241 -0.794
8 HB LEU 2 2HB LEU 2 -8.269 -12.740 2.164
9 HB LEU 2 QB LEU 2 -8.269 -12.740 2.164
10 HG LEU 2 HG LEU 2 -6.089 -11.426 1.156
11 1HD1 LEU 2 1HD1 LEU 2 -8.330 -9.658 0.777
12 2HD1 LEU 2 2HD1 LEU 2 -7.208 -8.974 1.978
13 3HD1 LEU 2 3HD1 LEU 2 -6.615 -9.424 0.360
14 1HD2 LEU 2 3HD2 LEU 2 -7.613 -11.341 3.715
15 2HD2 LEU 2 1HD2 LEU 2 -5.946 -11.869 3.382
16 3HD2 LEU 2 2HD2 LEU 2 -6.328 -10.133 3.475
17 H GLY 3 H GLY 3 -5.798 -12.198 -1.250
18 1HA GLY 3 1HA GLY 3 -4.299 -14.614 -0.445
19 2HA GLY 3 2HA GLY 3 -4.064 -13.712 -1.929
20 H ILE 4 H ILE 4 -1.801 -13.387 -1.463
21 HA ILE 4 HA ILE 4 -1.176 -10.982 -0.307
22 HB ILE 4 HB ILE 4 -1.879 -12.517 1.745
23 HG1 ILE 4 2HG1 ILE 4 -0.054 -11.120 3.049
24 HG1 ILE 4 QG1 ILE 4 -0.054 -11.120 3.049
25 1HG2 ILE 4 3HG2 ILE 4 -0.092 -14.202 1.109
26 2HG2 ILE 4 1HG2 ILE 4 1.102 -13.000 1.652
27 3HG2 ILE 4 2HG2 ILE 4 -0.095 -13.648 2.799
28 1HD1 ILE 4 2HD1 ILE 4 1.218 -10.672 0.867
29 2HD1 ILE 4 3HD1 ILE 4 -0.164 -9.664 0.375
30 3HD1 ILE 4 1HD1 ILE 4 0.786 -9.230 1.817
31 H ASP 5 H ASP 5 0.866 -10.408 -0.986
32 HA ASP 5 HA ASP 5 2.680 -12.565 -1.616
33 HB ASP 5 2HB ASP 5 2.757 -10.530 -3.712
34 HB ASP 5 QB ASP 5 2.757 -10.530 -3.712
35 HD2 ASP 5 HD ASP 5 4.245 -11.721 -4.637
36 H MET 6 H MET 6 4.902 -11.863 -1.439
37 HA MET 6 HA MET 6 5.267 -9.019 -0.948
38 HB MET 6 2HB MET 6 6.942 -9.828 0.909
39 HB MET 6 QB MET 6 6.942 -9.828 0.909
40 HG MET 6 2HG MET 6 3.916 -10.097 1.174
41 HG MET 6 QG MET 6 3.916 -10.097 1.174
42 1HE MET 6 3HE MET 6 7.000 -9.080 2.849
43 2HE MET 6 1HE MET 6 6.348 -8.905 4.495
44 3HE MET 6 2HE MET 6 7.321 -10.334 4.071
45 H ASN 7 H ASN 7 7.210 -8.162 -1.746
46 HA ASN 7 HA ASN 7 9.167 -10.075 -2.679
47 HB ASN 7 2HB ASN 7 8.956 -7.969 -4.656
48 HB ASN 7 QB ASN 7 8.956 -7.969 -4.656
49 1HD2 ASN 7 2HD2 ASN 7 10.338 -10.763 -6.232
50 2HD2 ASN 7 1HD2 ASN 7 10.593 -9.225 -5.480
51 H VAL 8 H VAL 8 11.322 -9.025 -2.980
52 HA VAL 8 HA VAL 8 11.437 -6.335 -1.798
53 HB VAL 8 HB VAL 8 12.360 -8.712 -0.691
54 1HG1 VAL 8 2HG1 VAL 8 14.690 -7.160 -1.869
55 2HG1 VAL 8 3HG1 VAL 8 14.824 -8.440 -0.641
56 3HG1 VAL 8 1HG1 VAL 8 14.212 -8.827 -2.267
57 1HG2 VAL 8 3HG2 VAL 8 11.786 -6.625 0.492
58 2HG2 VAL 8 1HG2 VAL 8 13.365 -7.264 1.002
59 3HG2 VAL 8 2HG2 VAL 8 13.284 -5.877 -0.110
60 H LYS 9 H LYS 9 12.703 -4.837 -2.866
61 HA LYS 9 HA LYS 9 14.445 -5.823 -4.980
62 HB LYS 9 2HB LYS 9 13.333 -4.928 -6.724
63 HB LYS 9 QB LYS 9 13.333 -4.928 -6.724
64 HG LYS 9 2HG LYS 9 10.900 -4.642 -4.949
65 HG LYS 9 QG LYS 9 10.900 -4.642 -4.949
66 HD LYS 9 2HD LYS 9 10.057 -6.165 -6.930
67 HD LYS 9 QD LYS 9 10.057 -6.165 -6.930
68 HE LYS 9 2HE LYS 9 10.723 -3.217 -6.996
69 HE LYS 9 QE LYS 9 10.723 -3.217 -6.996
70 1HZ LYS 9 1HZ LYS 9 9.968 -2.998 -9.159
71 2HZ LYS 9 2HZ LYS 9 10.794 -4.391 -9.321
72 H GLU 10 H GLU 10 16.372 -5.080 -4.241
73 HA GLU 10 HA GLU 10 17.926 -3.697 -3.619
74 HB GLU 10 2HB GLU 10 15.954 -1.714 -4.765
75 HB GLU 10 QB GLU 10 15.954 -1.714 -4.765
76 HG GLU 10 2HG GLU 10 18.272 -1.134 -2.982
77 HG GLU 10 QG GLU 10 18.272 -1.134 -2.982
78 HE2 GLU 10 HE GLU 10 17.821 1.755 -5.085
79 H SER 11 H SER 11 14.664 -3.227 -2.361
80 HA SER 11 HA SER 11 15.216 -3.418 0.204
81 HB SER 11 2HB SER 11 16.471 -1.638 0.826
82 HB SER 11 QB SER 11 16.471 -1.638 0.826
83 HG SER 11 HG SER 11 17.262 -0.317 -0.674
84 H VAL 12 H VAL 12 13.349 -2.502 -2.438
85 HA VAL 12 HA VAL 12 11.140 -1.413 -0.923
86 HB VAL 12 HB VAL 12 11.784 -0.579 -3.162
87 1HG1 VAL 12 3HG1 VAL 12 11.961 -3.280 -3.833
88 2HG1 VAL 12 1HG1 VAL 12 10.505 -2.711 -4.686
89 3HG1 VAL 12 2HG1 VAL 12 12.066 -1.897 -4.949
90 1HG2 VAL 12 2HG2 VAL 12 9.449 -0.415 -2.203
91 2HG2 VAL 12 3HG2 VAL 12 9.557 -0.304 -3.977
92 3HG2 VAL 12 1HG2 VAL 12 9.018 -1.817 -3.210
93 H LEU 13 H LEU 13 9.610 -2.636 0.047
94 HA LEU 13 HA LEU 13 9.583 -5.476 -0.602
95 HB LEU 13 2HB LEU 13 9.302 -5.764 1.558
96 HB LEU 13 QB LEU 13 9.302 -5.764 1.558
97 HG LEU 13 HG LEU 13 10.333 -3.241 1.556
98 1HD1 LEU 13 3HD1 LEU 13 7.773 -2.567 1.795
99 2HD1 LEU 13 1HD1 LEU 13 8.108 -2.893 3.513
100 3HD1 LEU 13 2HD1 LEU 13 9.069 -1.681 2.633
101 1HD2 LEU 13 1HD2 LEU 13 9.505 -4.902 3.952
102 2HD2 LEU 13 2HD2 LEU 13 11.025 -5.028 3.033
103 3HD2 LEU 13 3HD2 LEU 13 10.678 -3.563 3.982
104 H CYS 14 H CYS 14 8.364 -5.849 -2.408
105 HA CYS 14 HA CYS 14 6.051 -4.284 -2.939
106 HB CYS 14 2HB CYS 14 6.005 -5.310 -4.988
107 HB CYS 14 QB CYS 14 6.005 -5.310 -4.988
108 HG CYS 14 HG CYS 14 8.297 -5.810 -6.022
109 H ILE 15 H ILE 15 3.941 -4.721 -2.316
110 HA ILE 15 HA ILE 15 3.476 -7.350 -1.087
111 HB ILE 15 HB ILE 15 2.928 -4.604 -0.116
112 HG1 ILE 15 2HG1 ILE 15 3.391 -7.219 1.343
113 HG1 ILE 15 QG1 ILE 15 3.391 -7.219 1.343
114 1HG2 ILE 15 1HG2 ILE 15 0.950 -6.866 0.090
115 2HG2 ILE 15 2HG2 ILE 15 1.074 -5.619 1.354
116 3HG2 ILE 15 3HG2 ILE 15 0.671 -5.156 -0.317
117 1HD1 ILE 15 1HD1 ILE 15 5.234 -5.259 0.027
118 2HD1 ILE 15 2HD1 ILE 15 5.676 -5.790 1.667
119 3HD1 ILE 15 3HD1 ILE 15 5.470 -6.990 0.369
120 H ARG 16 H ARG 16 2.522 -8.402 -2.810
121 HA ARG 16 HA ARG 16 0.494 -6.961 -4.255
122 HB ARG 16 2HB ARG 16 0.743 -9.768 -5.019
123 HB ARG 16 QB ARG 16 0.743 -9.768 -5.019
124 HG ARG 16 2HG ARG 16 0.778 -7.098 -6.212
125 HG ARG 16 QG ARG 16 0.778 -7.098 -6.212
126 HD ARG 16 2HD ARG 16 3.023 -8.982 -6.873
127 HD ARG 16 QD ARG 16 3.023 -8.982 -6.873
128 HE ARG 16 HE ARG 16 1.149 -8.319 -8.899
129 1HH1 ARG 16 2HH2 ARG 16 4.628 -7.978 -8.322
130 2HH1 ARG 16 1HH2 ARG 16 5.036 -8.007 -10.005
131 HH2 ARG 16 1HH ARG 16 3.290 -8.231 -11.632
132 H LEU 17 H LEU 17 -1.418 -6.866 -3.053
133 HA LEU 17 HA LEU 17 -2.259 -9.270 -1.645
134 HB LEU 17 2HB LEU 17 -4.154 -7.277 -1.258
135 HB LEU 17 QB LEU 17 -4.154 -7.277 -1.258
136 HG LEU 17 HG LEU 17 -3.328 -7.024 0.954
137 1HD1 LEU 17 2HD1 LEU 17 -3.902 -9.499 -0.149
138 2HD1 LEU 17 3HD1 LEU 17 -2.419 -9.791 0.793
139 3HD1 LEU 17 1HD1 LEU 17 -3.854 -9.095 1.584
140 1HD2 LEU 17 3HD2 LEU 17 -0.698 -7.892 -0.208
141 2HD2 LEU 17 1HD2 LEU 17 -1.083 -6.489 0.818
142 3HD2 LEU 17 2HD2 LEU 17 -1.039 -8.123 1.523
143 H THR 18 H THR 18 -3.835 -10.623 -2.371
144 HA THR 18 HA THR 18 -5.469 -9.660 -4.622
145 HB THR 18 HB THR 18 -5.183 -12.242 -5.294
146 HG1 THR 18 1HG THR 18 -3.358 -13.098 -4.297
147 1HG2 THR 18 1HG2 THR 18 -3.557 -9.829 -5.880
148 2HG2 THR 18 2HG2 THR 18 -2.655 -11.350 -6.089
149 3HG2 THR 18 3HG2 THR 18 -4.162 -11.078 -6.995
150 H GLY 19 H GLY 19 -7.524 -9.541 -3.994
151 1HA GLY 19 1HA GLY 19 -9.194 -11.489 -3.344
152 2HA GLY 19 2HA GLY 19 -8.427 -11.228 -1.790
153 H GLU 20 H GLU 20 -9.479 -9.827 -0.458
154 HA GLU 20 HA GLU 20 -10.898 -7.640 -1.766
155 HB GLU 20 2HB GLU 20 -12.239 -8.081 0.655
156 HB GLU 20 QB GLU 20 -12.239 -8.081 0.655
157 HG GLU 20 2HG GLU 20 -12.903 -7.808 -1.993
158 HG GLU 20 QG GLU 20 -12.903 -7.808 -1.993
159 HE2 GLU 20 HE GLU 20 -15.008 -10.555 -2.660
160 H LEU 21 H LEU 21 -11.310 -5.743 -0.190
161 HA LEU 21 HA LEU 21 -9.093 -5.572 1.729
162 HB LEU 21 2HB LEU 21 -9.907 -3.669 -0.442
163 HB LEU 21 QB LEU 21 -9.907 -3.669 -0.442
164 HG LEU 21 HG LEU 21 -7.887 -2.360 0.875
165 1HD1 LEU 21 1HD1 LEU 21 -9.989 -1.508 -0.283
166 2HD1 LEU 21 2HD1 LEU 21 -10.800 -1.682 1.292
167 3HD1 LEU 21 3HD1 LEU 21 -9.411 -0.583 1.122
168 1HD2 LEU 21 1HD2 LEU 21 -8.614 -3.992 2.839
169 2HD2 LEU 21 2HD2 LEU 21 -8.133 -2.305 3.141
170 3HD2 LEU 21 3HD2 LEU 21 -9.858 -2.743 3.083
171 H ASP 22 H ASP 22 -10.534 -6.161 3.436
172 HA ASP 22 HA ASP 22 -12.375 -3.991 4.047
173 HB ASP 22 2HB ASP 22 -14.068 -5.493 4.756
174 HB ASP 22 QB ASP 22 -14.068 -5.493 4.756
175 HD2 ASP 22 HD ASP 22 -15.452 -6.298 3.314
176 H HIS 23 H HIS 23 -13.000 -4.232 6.572
177 HA HIS 23 HA HIS 23 -10.698 -3.945 8.035
178 HB HIS 23 2HB HIS 23 -13.208 -3.318 8.489
179 HB HIS 23 QB HIS 23 -13.208 -3.318 8.489
180 HD1 HIS 23 1HD HIS 23 -12.643 -5.251 11.563
181 HD2 HIS 23 2HD HIS 23 -14.949 -5.662 8.083
182 HE1 HIS 23 1HE HIS 23 -14.416 -7.012 12.084
183 H HIS 24 H HIS 24 -12.168 -6.829 6.830
184 HA HIS 24 HA HIS 24 -10.901 -8.452 8.882
185 HB HIS 24 2HB HIS 24 -12.072 -10.301 7.441
186 HB HIS 24 QB HIS 24 -12.072 -10.301 7.441
187 HD1 HIS 24 1HD HIS 24 -12.079 -10.105 10.322
188 HD2 HIS 24 2HD HIS 24 -15.287 -8.547 8.115
189 HE1 HIS 24 1HE HIS 24 -14.046 -9.943 11.939
190 H THR 25 H THR 25 -10.826 -7.710 5.364
191 HA THR 25 HA THR 25 -8.638 -9.562 4.952
192 HB THR 25 HB THR 25 -9.207 -9.300 2.714
193 HG1 THR 25 1HG THR 25 -8.431 -7.088 2.668
194 1HG2 THR 25 2HG2 THR 25 -11.468 -9.349 4.147
195 2HG2 THR 25 3HG2 THR 25 -11.599 -7.662 3.595
196 3HG2 THR 25 1HG2 THR 25 -11.525 -8.985 2.406
197 H ALA 26 H ALA 26 -9.066 -6.282 5.977
198 HA ALA 26 HA ALA 26 -6.605 -5.308 4.919
199 1HB ALA 26 2HB ALA 26 -8.875 -4.168 5.897
200 2HB ALA 26 3HB ALA 26 -7.819 -4.040 7.323
201 3HB ALA 26 1HB ALA 26 -7.318 -3.316 5.776
202 H GLU 27 H GLU 27 -7.705 -6.943 7.902
203 HA GLU 27 HA GLU 27 -5.715 -6.394 9.603
204 HB GLU 27 2HB GLU 27 -6.297 -9.279 9.573
205 HB GLU 27 QB GLU 27 -6.297 -9.279 9.573
206 HG GLU 27 2HG GLU 27 -5.818 -7.367 11.479
207 HG GLU 27 QG GLU 27 -5.818 -7.367 11.479
208 HE2 GLU 27 HE GLU 27 -8.490 -7.857 13.380
209 H THR 28 H THR 28 -5.658 -8.915 6.995
210 HA THR 28 HA THR 28 -3.232 -10.053 7.470
211 HB THR 28 HB THR 28 -5.176 -9.938 5.399
212 HG1 THR 28 1HG THR 28 -3.779 -11.826 4.765
213 1HG2 THR 28 1HG2 THR 28 -2.325 -9.442 4.389
214 2HG2 THR 28 2HG2 THR 28 -3.668 -10.036 3.383
215 3HG2 THR 28 3HG2 THR 28 -3.736 -8.401 4.082
216 H LEU 29 H LEU 29 -3.861 -6.901 5.840
217 HA LEU 29 HA LEU 29 -1.081 -6.504 5.327
218 HB LEU 29 2HB LEU 29 -2.994 -4.236 5.331
219 HB LEU 29 QB LEU 29 -2.994 -4.236 5.331
220 HG LEU 29 HG LEU 29 -1.595 -3.387 3.838
221 1HD1 LEU 29 3HD1 LEU 29 0.052 -4.787 5.176
222 2HD1 LEU 29 1HD1 LEU 29 0.040 -5.927 3.808
223 3HD1 LEU 29 2HD1 LEU 29 0.583 -4.249 3.563
224 1HD2 LEU 29 3HD2 LEU 29 -2.295 -5.882 2.321
225 2HD2 LEU 29 1HD2 LEU 29 -2.729 -4.188 1.990
226 3HD2 LEU 29 2HD2 LEU 29 -1.070 -4.757 1.690
227 H LYS 30 H LYS 30 -3.357 -5.849 7.962
228 HA LYS 30 HA LYS 30 -2.097 -3.789 9.249
229 HB LYS 30 2HB LYS 30 -3.361 -6.158 10.644
230 HB LYS 30 QB LYS 30 -3.361 -6.158 10.644
231 HG LYS 30 2HG LYS 30 -2.265 -3.868 11.693
232 HG LYS 30 QG LYS 30 -2.265 -3.868 11.693
233 HD LYS 30 2HD LYS 30 -4.866 -2.890 12.223
234 HD LYS 30 QD LYS 30 -4.866 -2.890 12.223
235 HE LYS 30 2HE LYS 30 -2.907 -1.680 10.228
236 HE LYS 30 QE LYS 30 -2.907 -1.680 10.228
237 1HZ LYS 30 1HZ LYS 30 -4.953 -0.450 10.653
238 2HZ LYS 30 2HZ LYS 30 -4.729 -0.510 12.265
239 H GLN 31 H GLN 31 -1.368 -7.327 9.380
240 HA GLN 31 HA GLN 31 0.715 -6.959 11.235
241 HB GLN 31 2HB GLN 31 -0.329 -9.111 11.162
242 HB GLN 31 QB GLN 31 -0.329 -9.111 11.162
243 HG GLN 31 2HG GLN 31 0.293 -9.002 8.183
244 HG GLN 31 QG GLN 31 0.293 -9.002 8.183
245 1HE2 GLN 31 2HE2 GLN 31 -1.259 -12.617 9.025
246 2HE2 GLN 31 1HE2 GLN 31 -2.103 -11.107 9.111
247 H LYS 32 H LYS 32 0.451 -6.998 7.674
248 HA LYS 32 HA LYS 32 3.254 -7.179 7.235
249 HB LYS 32 2HB LYS 32 0.854 -6.559 5.522
250 HB LYS 32 QB LYS 32 0.854 -6.559 5.522
251 HG LYS 32 2HG LYS 32 2.756 -5.156 4.700
252 HG LYS 32 QG LYS 32 2.756 -5.156 4.700
253 HD LYS 32 2HD LYS 32 4.315 -7.611 3.972
254 HD LYS 32 QD LYS 32 4.315 -7.611 3.972
255 HE LYS 32 2HE LYS 32 5.303 -4.956 5.082
256 HE LYS 32 QE LYS 32 5.303 -4.956 5.082
257 1HZ LYS 32 1HZ LYS 32 6.430 -7.067 3.335
258 2HZ LYS 32 2HZ LYS 32 7.121 -5.597 3.458
259 H VAL 33 H VAL 33 1.217 -4.739 8.479
260 HA VAL 33 HA VAL 33 2.743 -2.555 7.355
261 HB VAL 33 HB VAL 33 0.519 -2.655 9.403
262 1HG1 VAL 33 3HG1 VAL 33 2.098 -0.401 8.216
263 2HG1 VAL 33 1HG1 VAL 33 0.364 -0.157 8.538
264 3HG1 VAL 33 2HG1 VAL 33 1.461 -0.608 9.865
265 1HG2 VAL 33 3HG2 VAL 33 0.460 -3.038 6.595
266 2HG2 VAL 33 1HG2 VAL 33 -0.916 -2.833 7.705
267 3HG2 VAL 33 2HG2 VAL 33 -0.198 -1.413 6.906
268 H THR 34 H THR 34 2.114 -4.026 10.617
269 HA THR 34 HA THR 34 3.780 -2.455 12.110
270 HB THR 34 HB THR 34 2.382 -4.035 13.226
271 HG1 THR 34 1HG THR 34 4.327 -4.138 14.363
272 1HG2 THR 34 3HG2 THR 34 3.774 -6.195 11.557
273 2HG2 THR 34 1HG2 THR 34 2.607 -6.506 12.863
274 3HG2 THR 34 2HG2 THR 34 2.080 -5.682 11.377
275 H GLN 35 H GLN 35 4.658 -5.121 9.892
276 HA GLN 35 HA GLN 35 7.246 -5.444 10.738
277 HB GLN 35 2HB GLN 35 5.942 -6.851 9.060
278 HB GLN 35 QB GLN 35 5.942 -6.851 9.060
279 HG GLN 35 2HG GLN 35 5.574 -4.597 7.633
280 HG GLN 35 QG GLN 35 5.574 -4.597 7.633
281 1HE2 GLN 35 2HE2 GLN 35 7.947 -3.583 5.284
282 2HE2 GLN 35 1HE2 GLN 35 6.311 -3.516 5.849
283 H SER 36 H SER 36 5.766 -2.976 8.607
284 HA SER 36 HA SER 36 8.290 -1.949 7.811
285 HB SER 36 2HB SER 36 5.661 -0.448 7.623
286 HB SER 36 QB SER 36 5.661 -0.448 7.623
287 HG SER 36 HG SER 36 7.251 0.719 6.629
288 H LEU 37 H LEU 37 5.937 -1.417 10.414
289 HA LEU 37 HA LEU 37 6.437 1.122 11.208
290 HB LEU 37 2HB LEU 37 6.384 -0.555 13.523
291 HB LEU 37 QB LEU 37 6.384 -0.555 13.523
292 HG LEU 37 HG LEU 37 3.891 0.575 12.294
293 1HD1 LEU 37 2HD1 LEU 37 4.868 -0.201 14.979
294 2HD1 LEU 37 3HD1 LEU 37 3.857 1.262 14.905
295 3HD1 LEU 37 1HD1 LEU 37 3.236 -0.283 14.273
296 1HD2 LEU 37 1HD2 LEU 37 6.279 2.129 13.171
297 2HD2 LEU 37 2HD2 LEU 37 5.053 2.498 11.933
298 3HD2 LEU 37 3HD2 LEU 37 4.673 2.724 13.658
299 H GLU 38 H GLU 38 8.541 -1.754 11.551
300 HA GLU 38 HA GLU 38 10.766 -0.046 11.884
301 HB GLU 38 2HB GLU 38 11.466 -1.183 14.101
302 HB GLU 38 QB GLU 38 11.466 -1.183 14.101
303 HG GLU 38 2HG GLU 38 9.003 0.547 14.451
304 HG GLU 38 QG GLU 38 9.003 0.547 14.451
305 HE2 GLU 38 HE GLU 38 9.502 2.054 16.132
306 H LYS 39 H LYS 39 11.060 -1.309 9.841
307 HA LYS 39 HA LYS 39 11.388 -4.124 10.005
308 HB LYS 39 2HB LYS 39 12.112 -2.083 7.885
309 HB LYS 39 QB LYS 39 12.112 -2.083 7.885
310 HG LYS 39 2HG LYS 39 13.318 -4.519 8.060
311 HG LYS 39 QG LYS 39 13.318 -4.519 8.060
312 HD LYS 39 2HD LYS 39 11.816 -5.742 6.146
313 HD LYS 39 QD LYS 39 11.816 -5.742 6.146
314 HE LYS 39 2HE LYS 39 10.988 -6.177 9.021
315 HE LYS 39 QE LYS 39 10.988 -6.177 9.021
316 1HZ LYS 39 1HZ LYS 39 10.659 -8.259 8.242
317 2HZ LYS 39 2HZ LYS 39 10.751 -7.633 6.741
318 H ASP 40 H ASP 40 13.651 -1.300 9.846
319 HA ASP 40 HA ASP 40 15.422 -2.142 11.626
320 HB ASP 40 2HB ASP 40 17.213 -2.987 9.708
321 HB ASP 40 QB ASP 40 17.213 -2.987 9.708
322 HD1 ASP 40 HD ASP 40 17.605 -4.208 12.301
323 H ASP 41 H ASP 41 16.630 -1.822 8.256
324 HA ASP 41 HA ASP 41 17.863 0.632 8.909
325 HB ASP 41 2HB ASP 41 17.530 -0.840 6.253
326 HB ASP 41 QB ASP 41 17.530 -0.840 6.253
327 HD2 ASP 41 HD ASP 41 19.667 1.175 4.561
328 H ILE 42 H ILE 42 16.791 0.682 5.638
329 HA ILE 42 HA ILE 42 14.295 2.034 6.170
330 HB ILE 42 HB ILE 42 16.800 3.448 5.477
331 HG1 ILE 42 2HG1 ILE 42 15.668 5.277 6.680
332 HG1 ILE 42 QG1 ILE 42 15.668 5.277 6.680
333 1HG2 ILE 42 1HG2 ILE 42 14.275 3.758 3.922
334 2HG2 ILE 42 2HG2 ILE 42 15.153 5.231 4.394
335 3HG2 ILE 42 3HG2 ILE 42 15.970 3.981 3.425
336 1HD1 ILE 42 3HD1 ILE 42 13.333 3.594 6.189
337 2HD1 ILE 42 1HD1 ILE 42 13.533 3.907 7.929
338 3HD1 ILE 42 2HD1 ILE 42 13.405 5.268 6.790
339 H ARG 43 H ARG 43 13.542 0.109 5.045
340 HA ARG 43 HA ARG 43 14.489 -0.300 2.401
341 HB ARG 43 2HB ARG 43 12.160 -1.792 2.598
342 HB ARG 43 QB ARG 43 12.160 -1.792 2.598
343 HG ARG 43 2HG ARG 43 14.082 -3.021 2.078
344 HG ARG 43 QG ARG 43 14.082 -3.021 2.078
345 HD ARG 43 2HD ARG 43 15.331 -1.350 4.239
346 HD ARG 43 QD ARG 43 15.331 -1.350 4.239
347 HE ARG 43 HE ARG 43 15.765 -4.108 4.347
348 1HH1 ARG 43 2HH2 ARG 43 17.777 -1.275 3.652
349 2HH1 ARG 43 1HH2 ARG 43 19.232 -2.011 4.236
350 HH2 ARG 43 1HH ARG 43 19.155 -4.247 5.093
351 H HIS 44 H HIS 44 12.017 -0.964 1.057
352 HA HIS 44 HA HIS 44 10.577 1.574 1.067
353 HB HIS 44 2HB HIS 44 10.567 1.442 -1.466
354 HB HIS 44 QB HIS 44 10.567 1.442 -1.466
355 HD1 HIS 44 1HD HIS 44 11.535 3.489 0.651
356 HD2 HIS 44 2HD HIS 44 14.046 1.619 -2.141
357 HE1 HIS 44 1HE HIS 44 13.572 5.006 0.392
358 H ILE 45 H ILE 45 8.416 1.397 -0.027
359 HA ILE 45 HA ILE 45 7.405 -1.337 0.312
360 HB ILE 45 HB ILE 45 5.214 -0.217 0.683
361 HG1 ILE 45 2HG1 ILE 45 6.532 2.371 1.292
362 HG1 ILE 45 QG1 ILE 45 6.532 2.371 1.292
363 1HG2 ILE 45 3HG2 ILE 45 7.562 -0.139 2.466
364 2HG2 ILE 45 1HG2 ILE 45 6.209 0.911 2.949
365 3HG2 ILE 45 2HG2 ILE 45 5.942 -0.834 2.715
366 1HD1 ILE 45 1HD1 ILE 45 7.424 1.829 -0.986
367 2HD1 ILE 45 2HD1 ILE 45 5.757 1.554 -1.546
368 3HD1 ILE 45 3HD1 ILE 45 6.262 3.176 -1.017
369 H VAL 46 H VAL 46 5.585 -1.960 -1.167
370 HA VAL 46 HA VAL 46 5.336 -0.462 -3.596
371 HB VAL 46 HB VAL 46 7.185 -2.749 -3.363
372 1HG1 VAL 46 3HG1 VAL 46 5.296 -3.828 -4.524
373 2HG1 VAL 46 1HG1 VAL 46 5.316 -2.536 -5.749
374 3HG1 VAL 46 2HG1 VAL 46 6.708 -3.636 -5.591
375 1HG2 VAL 46 1HG2 VAL 46 7.644 -0.293 -4.059
376 2HG2 VAL 46 2HG2 VAL 46 8.410 -1.602 -4.991
377 3HG2 VAL 46 3HG2 VAL 46 6.971 -0.776 -5.635
378 H LEU 47 H LEU 47 3.138 -0.467 -2.755
379 HA LEU 47 HA LEU 47 1.846 -3.016 -2.447
380 HB LEU 47 2HB LEU 47 -0.181 -1.520 -2.152
381 HB LEU 47 QB LEU 47 -0.181 -1.520 -2.152
382 HG LEU 47 HG LEU 47 0.560 -0.498 0.013
383 1HD1 LEU 47 1HD1 LEU 47 0.274 -3.230 -0.700
384 2HD1 LEU 47 2HD1 LEU 47 1.567 -3.125 0.520
385 3HD1 LEU 47 3HD1 LEU 47 -0.043 -2.450 0.869
386 1HD2 LEU 47 2HD2 LEU 47 2.887 -0.014 -0.638
387 2HD2 LEU 47 3HD2 LEU 47 2.783 -0.951 0.872
388 3HD2 LEU 47 1HD2 LEU 47 3.235 -1.759 -0.648
389 H ASN 48 H ASN 48 0.022 -3.741 -3.756
390 HA ASN 48 HA ASN 48 -0.722 -2.471 -6.084
391 HB ASN 48 2HB ASN 48 1.610 -4.385 -6.319
392 HB ASN 48 QB ASN 48 1.610 -4.385 -6.319
393 1HD2 ASN 48 2HD2 ASN 48 0.807 -5.944 -9.365
394 2HD2 ASN 48 1HD2 ASN 48 2.061 -5.403 -8.299
395 H LEU 49 H LEU 49 -2.826 -3.280 -5.873
396 HA LEU 49 HA LEU 49 -3.126 -6.105 -5.195
397 HB LEU 49 2HB LEU 49 -5.636 -4.942 -5.239
398 HB LEU 49 QB LEU 49 -5.636 -4.942 -5.239
399 HG LEU 49 HG LEU 49 -3.855 -5.985 -3.233
400 1HD1 LEU 49 2HD1 LEU 49 -5.361 -3.476 -2.456
401 2HD1 LEU 49 3HD1 LEU 49 -4.747 -4.677 -1.293
402 3HD1 LEU 49 1HD1 LEU 49 -3.611 -3.784 -2.333
403 1HD2 LEU 49 2HD2 LEU 49 -6.387 -6.452 -4.119
404 2HD2 LEU 49 3HD2 LEU 49 -5.699 -7.103 -2.613
405 3HD2 LEU 49 1HD2 LEU 49 -6.705 -5.636 -2.569
406 H GLU 50 H GLU 50 -3.494 -7.561 -6.774
407 HA GLU 50 HA GLU 50 -4.189 -6.517 -9.368
408 HB GLU 50 2HB GLU 50 -3.891 -9.419 -9.245
409 HB GLU 50 QB GLU 50 -3.891 -9.419 -9.245
410 HG GLU 50 2HG GLU 50 -1.725 -8.575 -10.596
411 HG GLU 50 QG GLU 50 -1.725 -8.575 -10.596
412 HE2 GLU 50 HE GLU 50 -4.337 -8.217 -13.348
413 H ASP 51 H ASP 51 -5.636 -8.110 -6.616
414 HA ASP 51 HA ASP 51 -7.961 -8.710 -8.269
415 HB ASP 51 2HB ASP 51 -7.007 -9.948 -5.647
416 HB ASP 51 QB ASP 51 -7.007 -9.948 -5.647
417 HD1 ASP 51 HD ASP 51 -8.771 -11.815 -7.705
418 H LEU 52 H LEU 52 -8.147 -6.183 -7.789
419 HA LEU 52 HA LEU 52 -9.055 -5.639 -5.085
420 HB LEU 52 2HB LEU 52 -9.085 -3.587 -7.238
421 HB LEU 52 QB LEU 52 -9.085 -3.587 -7.238
422 HG LEU 52 HG LEU 52 -8.275 -2.095 -5.602
423 1HD1 LEU 52 3HD1 LEU 52 -10.692 -3.217 -5.353
424 2HD1 LEU 52 1HD1 LEU 52 -10.018 -3.651 -3.764
425 3HD1 LEU 52 2HD1 LEU 52 -10.096 -1.943 -4.261
426 1HD2 LEU 52 1HD2 LEU 52 -7.477 -4.566 -4.089
427 2HD2 LEU 52 2HD2 LEU 52 -6.508 -3.140 -4.530
428 3HD2 LEU 52 3HD2 LEU 52 -7.726 -3.023 -3.238
429 H SER 53 H SER 53 -11.129 -6.028 -4.548
430 HA SER 53 HA SER 53 -13.094 -5.571 -6.654
431 HB SER 53 2HB SER 53 -12.863 -7.855 -4.677
432 HB SER 53 QB SER 53 -12.863 -7.855 -4.677
433 HG SER 53 HG SER 53 -15.231 -6.721 -5.816
434 H PHE 54 H PHE 54 -13.789 -6.643 -3.316
435 HA PHE 54 HA PHE 54 -15.667 -4.768 -2.776
436 HB PHE 54 2HB PHE 54 -13.579 -6.218 -1.056
437 HB PHE 54 QB PHE 54 -13.579 -6.218 -1.056
438 HD1 PHE 54 1HD PHE 54 -17.116 -5.597 -0.256
439 HD2 PHE 54 2HD PHE 54 -13.090 -4.629 0.671
440 HE1 PHE 54 1HE PHE 54 -17.874 -4.468 1.853
441 HE2 PHE 54 2HE PHE 54 -13.847 -3.500 2.781
442 HZ PHE 54 HZ PHE 54 -16.230 -3.433 3.346
443 H MET 55 H MET 55 -12.432 -4.623 -1.139
444 HA MET 55 HA MET 55 -11.472 -2.868 -0.192
445 HB MET 55 2HB MET 55 -11.594 -2.489 -3.173
446 HB MET 55 QB MET 55 -11.594 -2.489 -3.173
447 HG MET 55 2HG MET 55 -9.846 -0.448 -2.238
448 HG MET 55 QG MET 55 -9.846 -0.448 -2.238
449 1HE MET 55 1HE MET 55 -13.211 -1.649 -3.088
450 2HE MET 55 2HE MET 55 -13.815 -0.658 -4.437
451 3HE MET 55 3HE MET 55 -12.571 -1.897 -4.729
452 H ASP 56 H ASP 56 -13.115 -2.051 1.239
453 HA ASP 56 HA ASP 56 -14.507 0.265 0.146
454 HB ASP 56 2HB ASP 56 -15.347 -1.010 2.741
455 HB ASP 56 QB ASP 56 -15.347 -1.010 2.741
456 HD2 ASP 56 HD ASP 56 -16.911 -0.587 -0.355
457 H SER 57 H SER 57 -15.311 1.164 2.873
458 HA SER 57 HA SER 57 -12.778 2.320 3.609
459 HB SER 57 2HB SER 57 -14.988 3.626 3.282
460 HB SER 57 QB SER 57 -14.988 3.626 3.282
461 HG SER 57 HG SER 57 -15.417 2.597 5.958
462 H SER 58 H SER 58 -13.378 -0.555 4.172
463 HA SER 58 HA SER 58 -13.696 -0.497 7.051
464 HB SER 58 2HB SER 58 -14.174 -2.835 6.922
465 HB SER 58 QB SER 58 -14.174 -2.835 6.922
466 HG SER 58 HG SER 58 -15.956 -1.809 6.026
467 H GLY 59 H GLY 59 -11.328 -0.837 4.486
468 1HA GLY 59 1HA GLY 59 -9.286 -1.566 6.498
469 2HA GLY 59 2HA GLY 59 -9.306 -2.251 4.887
470 H LEU 60 H LEU 60 -10.528 0.823 4.465
471 HA LEU 60 HA LEU 60 -8.383 1.770 3.046
472 HB LEU 60 2HB LEU 60 -10.116 3.767 4.373
473 HB LEU 60 QB LEU 60 -10.116 3.767 4.373
474 HG LEU 60 HG LEU 60 -10.617 3.755 1.632
475 1HD1 LEU 60 1HD1 LEU 60 -8.693 5.452 3.246
476 2HD1 LEU 60 2HD1 LEU 60 -9.326 5.858 1.633
477 3HD1 LEU 60 3HD1 LEU 60 -10.436 5.733 3.020
478 1HD2 LEU 60 3HD2 LEU 60 -7.662 3.277 2.110
479 2HD2 LEU 60 1HD2 LEU 60 -8.783 2.209 1.231
480 3HD2 LEU 60 2HD2 LEU 60 -8.396 3.821 0.581
481 H GLY 61 H GLY 61 -9.284 2.422 6.492
482 1HA GLY 61 1HA GLY 61 -7.283 4.229 7.107
483 2HA GLY 61 2HA GLY 61 -8.041 3.118 8.229
484 H VAL 62 H VAL 62 -7.228 0.609 7.084
485 HA VAL 62 HA VAL 62 -4.750 0.291 8.277
486 HB VAL 62 HB VAL 62 -6.741 -1.288 7.118
487 1HG1 VAL 62 1HG1 VAL 62 -4.074 -1.714 5.736
488 2HG1 VAL 62 2HG1 VAL 62 -5.368 -2.936 5.794
489 3HG1 VAL 62 3HG1 VAL 62 -5.652 -1.377 4.985
490 1HG2 VAL 62 1HG2 VAL 62 -4.340 -1.637 8.809
491 2HG2 VAL 62 2HG2 VAL 62 -6.009 -2.213 9.044
492 3HG2 VAL 62 3HG2 VAL 62 -4.899 -3.110 7.979
493 H ILE 63 H ILE 63 -5.639 1.564 5.145
494 HA ILE 63 HA ILE 63 -3.107 0.990 3.930
495 HB ILE 63 HB ILE 63 -5.146 2.983 2.976
496 HG1 ILE 63 2HG1 ILE 63 -6.286 1.132 1.805
497 HG1 ILE 63 QG1 ILE 63 -6.286 1.132 1.805
498 1HG2 ILE 63 1HG2 ILE 63 -2.702 2.224 1.970
499 2HG2 ILE 63 2HG2 ILE 63 -3.833 1.187 1.068
500 3HG2 ILE 63 3HG2 ILE 63 -4.032 2.955 1.041
501 1HD1 ILE 63 1HD1 ILE 63 -4.427 -0.562 3.529
502 2HD1 ILE 63 2HD1 ILE 63 -5.914 -1.191 2.780
503 3HD1 ILE 63 3HD1 ILE 63 -4.585 -0.593 1.756
504 H LEU 64 H LEU 64 -4.652 3.654 5.741
505 HA LEU 64 HA LEU 64 -2.539 5.487 5.154
506 HB LEU 64 2HB LEU 64 -4.089 6.177 7.475
507 HB LEU 64 QB LEU 64 -4.089 6.177 7.475
508 HG LEU 64 HG LEU 64 -3.235 7.914 6.047
509 1HD1 LEU 64 1HD1 LEU 64 -4.629 6.390 3.874
510 2HD1 LEU 64 2HD1 LEU 64 -4.402 8.148 3.714
511 3HD1 LEU 64 3HD1 LEU 64 -2.990 7.083 3.914
512 1HD2 LEU 64 3HD2 LEU 64 -6.160 7.602 6.413
513 2HD2 LEU 64 1HD2 LEU 64 -5.054 8.880 6.971
514 3HD2 LEU 64 2HD2 LEU 64 -5.634 8.878 5.289
515 H GLY 65 H GLY 65 -2.948 2.773 7.239
516 1HA GLY 65 1HA GLY 65 -1.264 3.715 9.375
517 2HA GLY 65 2HA GLY 65 -1.880 2.093 9.126
518 H ARG 66 H ARG 66 -0.867 2.098 6.232
519 HA ARG 66 HA ARG 66 1.705 1.105 6.910
520 HB ARG 66 2HB ARG 66 1.102 1.335 4.023
521 HB ARG 66 QB ARG 66 1.102 1.335 4.023
522 HG ARG 66 2HG ARG 66 1.631 -0.911 6.009
523 HG ARG 66 QG ARG 66 1.631 -0.911 6.009
524 HD ARG 66 2HD ARG 66 0.509 -2.290 4.565
525 HD ARG 66 QD ARG 66 0.509 -2.290 4.565
526 HE ARG 66 HE ARG 66 0.647 -0.515 2.193
527 1HH1 ARG 66 2HH2 ARG 66 -1.228 -1.623 4.988
528 2HH1 ARG 66 1HH2 ARG 66 -2.733 -1.031 4.370
529 HH2 ARG 66 1HH ARG 66 -2.776 0.076 2.245
530 H TYR 67 H TYR 67 0.281 3.975 5.345
531 HA TYR 67 HA TYR 67 2.568 4.910 4.036
532 HB TYR 67 2HB TYR 67 0.520 6.692 5.420
533 HB TYR 67 QB TYR 67 0.520 6.692 5.420
534 HD1 TYR 67 2HD TYR 67 0.728 5.727 1.841
535 HD2 TYR 67 1HD TYR 67 1.642 8.703 4.774
536 HE1 TYR 67 2HE TYR 67 1.319 7.373 -0.004
537 HE2 TYR 67 1HE TYR 67 2.229 10.340 2.920
538 HH TYR 67 HH TYR 67 2.562 10.598 0.788
539 H LYS 68 H LYS 68 1.255 5.549 7.352
540 HA LYS 68 HA LYS 68 3.504 7.237 7.958
541 HB LYS 68 2HB LYS 68 2.393 7.706 9.981
542 HB LYS 68 QB LYS 68 2.393 7.706 9.981
543 HG LYS 68 2HG LYS 68 -0.143 7.757 9.196
544 HG LYS 68 QG LYS 68 -0.143 7.757 9.196
545 HD LYS 68 2HD LYS 68 0.772 9.463 7.266
546 HD LYS 68 QD LYS 68 0.772 9.463 7.266
547 HE LYS 68 2HE LYS 68 0.535 9.650 10.259
548 HE LYS 68 QE LYS 68 0.535 9.650 10.259
549 1HZ LYS 68 1HZ LYS 68 1.200 12.151 9.018
550 2HZ LYS 68 2HZ LYS 68 1.743 11.532 10.423
551 H GLN 69 H GLN 69 3.232 3.987 7.498
552 HA GLN 69 HA GLN 69 4.747 3.261 9.846
553 HB GLN 69 2HB GLN 69 4.468 1.083 7.970
554 HB GLN 69 QB GLN 69 4.468 1.083 7.970
555 HG GLN 69 2HG GLN 69 4.540 1.023 10.519
556 HG GLN 69 QG GLN 69 4.540 1.023 10.519
557 1HE2 GLN 69 1HE2 GLN 69 1.984 0.084 11.583
558 2HE2 GLN 69 2HE2 GLN 69 1.103 1.479 12.110
559 H ILE 70 H ILE 70 5.076 3.744 6.323
560 HA ILE 70 HA ILE 70 7.832 2.809 6.434
561 HB ILE 70 HB ILE 70 6.191 2.131 4.636
562 HG1 ILE 70 2HG1 ILE 70 8.884 3.346 3.998
563 HG1 ILE 70 QG1 ILE 70 8.884 3.346 3.998
564 1HG2 ILE 70 2HG2 ILE 70 5.222 4.425 4.352
565 2HG2 ILE 70 3HG2 ILE 70 6.733 4.899 3.539
566 3HG2 ILE 70 1HG2 ILE 70 5.707 3.624 2.837
567 1HD1 ILE 70 2HD1 ILE 70 7.856 0.487 4.314
568 2HD1 ILE 70 3HD1 ILE 70 9.522 0.941 3.879
569 3HD1 ILE 70 1HD1 ILE 70 8.873 1.365 5.482
570 H LYS 71 H LYS 71 5.859 5.730 6.397
571 HA LYS 71 HA LYS 71 8.023 7.421 5.579
572 HB LYS 71 2HB LYS 71 5.363 7.677 5.409
573 HB LYS 71 QB LYS 71 5.363 7.677 5.409
574 HG LYS 71 2HG LYS 71 5.716 8.084 8.139
575 HG LYS 71 QG LYS 71 5.716 8.084 8.139
576 HD LYS 71 2HD LYS 71 4.964 10.732 7.912
577 HD LYS 71 QD LYS 71 4.964 10.732 7.912
578 HE LYS 71 2HE LYS 71 7.902 10.345 8.183
579 HE LYS 71 QE LYS 71 7.902 10.345 8.183
580 1HZ LYS 71 1HZ LYS 71 5.701 11.627 9.597
581 2HZ LYS 71 2HZ LYS 71 6.937 11.131 10.533
582 H GLN 72 H GLN 72 6.697 6.103 8.590
583 HA GLN 72 HA GLN 72 7.908 7.997 10.263
584 HB GLN 72 2HB GLN 72 6.404 5.475 10.538
585 HB GLN 72 QB GLN 72 6.404 5.475 10.538
586 HG GLN 72 2HG GLN 72 8.659 6.167 12.459
587 HG GLN 72 QG GLN 72 8.659 6.167 12.459
588 1HE2 GLN 72 2HE2 GLN 72 7.165 4.827 15.339
589 2HE2 GLN 72 1HE2 GLN 72 8.636 5.210 14.505
590 H ILE 73 H ILE 73 9.027 5.105 8.581
591 HA ILE 73 HA ILE 73 11.321 4.744 10.258
592 HB ILE 73 HB ILE 73 11.190 3.583 7.533
593 HG1 ILE 73 2HG1 ILE 73 9.578 1.820 8.465
594 HG1 ILE 73 QG1 ILE 73 9.578 1.820 8.465
595 1HG2 ILE 73 3HG2 ILE 73 12.789 3.160 9.658
596 2HG2 ILE 73 1HG2 ILE 73 11.531 1.942 9.977
597 3HG2 ILE 73 2HG2 ILE 73 12.420 1.919 8.436
598 1HD1 ILE 73 2HD1 ILE 73 9.703 3.466 10.744
599 2HD1 ILE 73 3HD1 ILE 73 8.144 3.874 9.988
600 3HD1 ILE 73 1HD1 ILE 73 8.505 2.187 10.430
601 H GLY 74 H GLY 74 10.427 6.614 7.392
602 1HA GLY 74 1HA GLY 74 11.776 8.590 7.013
603 2HA GLY 74 2HA GLY 74 13.207 7.615 7.280
604 H GLY 75 H GLY 75 10.584 6.023 5.589
605 1HA GLY 75 1HA GLY 75 12.133 6.224 3.087
606 2HA GLY 75 2HA GLY 75 11.074 4.906 3.550
607 H GLU 76 H GLU 76 9.437 4.895 2.047
608 HA GLU 76 HA GLU 76 7.711 7.171 2.053
609 HB GLU 76 2HB GLU 76 8.077 7.978 -0.045
610 HB GLU 76 QB GLU 76 8.077 7.978 -0.045
611 HG GLU 76 2HG GLU 76 10.431 7.144 -0.993
612 HG GLU 76 QG GLU 76 10.431 7.144 -0.993
613 HE1 GLU 76 HE GLU 76 9.782 10.271 0.409
614 H MET 77 H MET 77 5.577 6.664 1.098
615 HA MET 77 HA MET 77 5.217 3.773 0.929
616 HB MET 77 2HB MET 77 3.138 5.896 1.684
617 HB MET 77 QB MET 77 3.138 5.896 1.684
618 HG MET 77 2HG MET 77 2.520 3.440 0.925
619 HG MET 77 QG MET 77 2.520 3.440 0.925
620 1HE MET 77 2HE MET 77 1.583 1.178 2.087
621 2HE MET 77 3HE MET 77 3.044 1.006 1.086
622 3HE MET 77 1HE MET 77 2.930 0.157 2.646
623 H VAL 78 H VAL 78 4.355 2.923 -0.938
624 HA VAL 78 HA VAL 78 3.067 4.822 -2.769
625 HB VAL 78 HB VAL 78 5.210 2.776 -3.331
626 1HG1 VAL 78 1HG1 VAL 78 3.004 3.683 -5.059
627 2HG1 VAL 78 2HG1 VAL 78 4.620 3.878 -5.778
628 3HG1 VAL 78 3HG1 VAL 78 4.083 2.276 -5.215
629 1HG2 VAL 78 3HG2 VAL 78 4.958 5.766 -3.729
630 2HG2 VAL 78 1HG2 VAL 78 6.166 4.870 -2.775
631 3HG2 VAL 78 2HG2 VAL 78 6.196 4.788 -4.553
632 H VAL 79 H VAL 79 1.387 3.915 -4.095
633 HA VAL 79 HA VAL 79 0.694 1.149 -3.654
634 HB VAL 79 HB VAL 79 -1.382 3.206 -2.975
635 1HG1 VAL 79 2HG1 VAL 79 -0.999 0.288 -2.224
636 2HG1 VAL 79 3HG1 VAL 79 -2.355 1.318 -1.711
637 3HG1 VAL 79 1HG1 VAL 79 -2.135 0.931 -3.433
638 1HG2 VAL 79 1HG2 VAL 79 0.517 3.668 -1.478
639 2HG2 VAL 79 2HG2 VAL 79 -0.860 2.968 -0.593
640 3HG2 VAL 79 3HG2 VAL 79 0.550 1.956 -0.991
641 H CYS 80 H CYS 80 -0.495 0.315 -5.378
642 HA CYS 80 HA CYS 80 -1.618 2.213 -7.255
643 HB CYS 80 2HB CYS 80 0.749 1.898 -7.981
644 HB CYS 80 QB CYS 80 0.749 1.898 -7.981
645 HG CYS 80 HG CYS 80 0.406 -0.804 -6.921
646 H ALA 81 H ALA 81 -2.228 0.358 -9.301
647 HA ALA 81 HA ALA 81 -3.421 -1.457 -9.827
648 1HB ALA 81 2HB ALA 81 -2.208 -2.267 -7.412
649 2HB ALA 81 3HB ALA 81 -3.939 -2.632 -7.218
650 3HB ALA 81 1HB ALA 81 -3.038 -3.302 -8.600
651 H ILE 82 H ILE 82 -4.313 1.257 -8.754
652 HA ILE 82 HA ILE 82 -6.747 0.806 -7.378
653 HB ILE 82 HB ILE 82 -5.152 2.915 -7.681
654 HG1 ILE 82 2HG1 ILE 82 -8.141 2.976 -7.184
655 HG1 ILE 82 QG1 ILE 82 -8.141 2.976 -7.184
656 1HG2 ILE 82 2HG2 ILE 82 -5.781 3.078 -10.121
657 2HG2 ILE 82 3HG2 ILE 82 -7.403 3.577 -9.587
658 3HG2 ILE 82 1HG2 ILE 82 -5.985 4.566 -9.165
659 1HD1 ILE 82 1HD1 ILE 82 -6.062 1.751 -5.749
660 2HD1 ILE 82 2HD1 ILE 82 -6.287 3.317 -4.934
661 3HD1 ILE 82 3HD1 ILE 82 -7.660 2.198 -5.106
662 H SER 83 H SER 83 -8.640 2.338 -8.784
663 HA SER 83 HA SER 83 -8.842 1.376 -11.433
664 HB SER 83 2HB SER 83 -9.683 -0.453 -9.525
665 HB SER 83 QB SER 83 -9.683 -0.453 -9.525
666 HG SER 83 HG SER 83 -11.886 -0.395 -9.377
667 HA PRO 84 HA PRO 84 -11.799 4.578 -11.563
668 HB PRO 84 2HB PRO 84 -12.256 4.302 -13.802
669 HB PRO 84 QB PRO 84 -12.256 4.302 -13.802
670 HG PRO 84 2HG PRO 84 -11.932 2.160 -14.594
671 HG PRO 84 QG PRO 84 -11.932 2.160 -14.594
672 HD PRO 84 2HD PRO 84 -10.412 1.381 -13.053
673 HD PRO 84 QD PRO 84 -10.412 1.381 -13.053
674 H ALA 85 H ALA 85 -12.710 1.700 -10.138
675 HA ALA 85 HA ALA 85 -14.924 3.122 -8.833
676 1HB ALA 85 2HB ALA 85 -14.797 0.274 -9.878
677 2HB ALA 85 3HB ALA 85 -15.993 0.804 -8.670
678 3HB ALA 85 1HB ALA 85 -15.973 1.547 -10.287
679 H VAL 86 H VAL 86 -11.938 2.690 -8.274
680 HA VAL 86 HA VAL 86 -12.356 1.597 -5.593
681 HB VAL 86 HB VAL 86 -10.387 0.715 -7.669
682 1HG1 VAL 86 1HG1 VAL 86 -9.740 1.315 -4.880
683 2HG1 VAL 86 2HG1 VAL 86 -9.431 -0.386 -5.305
684 3HG1 VAL 86 3HG1 VAL 86 -8.669 0.919 -6.245
685 1HG2 VAL 86 2HG2 VAL 86 -12.575 -0.436 -6.187
686 2HG2 VAL 86 3HG2 VAL 86 -11.626 -1.133 -7.522
687 3HG2 VAL 86 1HG2 VAL 86 -11.077 -1.334 -5.840
688 H LYS 87 H LYS 87 -10.578 3.648 -7.917
689 HA LYS 87 HA LYS 87 -8.903 4.808 -5.938
690 HB LYS 87 2HB LYS 87 -9.612 5.663 -8.759
691 HB LYS 87 QB LYS 87 -9.612 5.663 -8.759
692 HG LYS 87 2HG LYS 87 -7.235 6.545 -7.073
693 HG LYS 87 QG LYS 87 -7.235 6.545 -7.073
694 HD LYS 87 2HD LYS 87 -7.662 6.660 -9.800
695 HD LYS 87 QD LYS 87 -7.662 6.660 -9.800
696 HE LYS 87 2HE LYS 87 -8.540 9.327 -8.588
697 HE LYS 87 QE LYS 87 -8.540 9.327 -8.588
698 1HZ LYS 87 1HZ LYS 87 -7.440 9.981 -10.476
699 2HZ LYS 87 2HZ LYS 87 -7.578 8.547 -11.236
700 H ARG 88 H ARG 88 -12.244 5.068 -6.699
701 HA ARG 88 HA ARG 88 -12.606 7.775 -6.217
702 HB ARG 88 2HB ARG 88 -14.252 5.991 -7.194
703 HB ARG 88 QB ARG 88 -14.252 5.991 -7.194
704 HG ARG 88 2HG ARG 88 -15.932 5.292 -5.355
705 HG ARG 88 QG ARG 88 -15.932 5.292 -5.355
706 HD ARG 88 2HD ARG 88 -13.421 3.817 -4.731
707 HD ARG 88 QD ARG 88 -13.421 3.817 -4.731
708 HE ARG 88 HE ARG 88 -15.450 2.380 -6.146
709 1HH1 ARG 88 2HH2 ARG 88 -14.998 4.092 -3.076
710 2HH1 ARG 88 1HH2 ARG 88 -16.183 3.149 -2.234
711 HH2 ARG 88 1HH ARG 88 -17.354 1.417 -3.405
712 H LEU 89 H LEU 89 -12.032 4.999 -4.119
713 HA LEU 89 HA LEU 89 -13.209 5.928 -1.772
714 HB LEU 89 2HB LEU 89 -10.946 4.469 -1.045
715 HB LEU 89 QB LEU 89 -10.946 4.469 -1.045
716 HG LEU 89 HG LEU 89 -13.668 3.372 -1.802
717 1HD1 LEU 89 2HD1 LEU 89 -11.271 2.166 -0.469
718 2HD1 LEU 89 3HD1 LEU 89 -12.903 1.647 0.017
719 3HD1 LEU 89 1HD1 LEU 89 -12.380 1.472 -1.675
720 1HD2 LEU 89 3HD2 LEU 89 -12.692 4.873 0.554
721 2HD2 LEU 89 1HD2 LEU 89 -14.333 4.714 -0.119
722 3HD2 LEU 89 2HD2 LEU 89 -13.661 3.421 0.902
723 H PHE 90 H PHE 90 -9.919 6.437 -3.178
724 HA PHE 90 HA PHE 90 -9.241 8.172 -0.971
725 HB PHE 90 2HB PHE 90 -7.057 8.207 -2.167
726 HB PHE 90 QB PHE 90 -7.057 8.207 -2.167
727 HD1 PHE 90 1HD PHE 90 -8.484 5.219 -3.755
728 HD2 PHE 90 2HD PHE 90 -6.452 6.744 -0.355
729 HE1 PHE 90 1HE PHE 90 -7.938 2.878 -3.030
730 HE2 PHE 90 2HE PHE 90 -5.905 4.403 0.368
731 HZ PHE 90 HZ PHE 90 -6.655 2.498 -0.978
732 H ASP 91 H ASP 91 -10.460 8.365 -4.288
733 HA ASP 91 HA ASP 91 -9.631 10.979 -4.785
734 HB ASP 91 2HB ASP 91 -12.190 10.275 -6.040
735 HB ASP 91 QB ASP 91 -12.190 10.275 -6.040
736 HD2 ASP 91 HD ASP 91 -11.580 10.002 -8.580
737 H MET 92 H MET 92 -12.429 9.456 -3.150
738 HA MET 92 HA MET 92 -13.880 11.912 -3.020
739 HB MET 92 2HB MET 92 -14.290 9.214 -1.611
740 HB MET 92 QB MET 92 -14.290 9.214 -1.611
741 HG MET 92 2HG MET 92 -16.583 11.027 -2.266
742 HG MET 92 QG MET 92 -16.583 11.027 -2.266
743 1HE MET 92 1HE MET 92 -18.703 10.209 -1.366
744 2HE MET 92 2HE MET 92 -17.983 8.848 -2.261
745 3HE MET 92 3HE MET 92 -18.793 8.559 -0.702
746 H SER 93 H SER 93 -11.736 9.955 -0.931
747 HA SER 93 HA SER 93 -12.367 11.283 1.439
748 HB SER 93 2HB SER 93 -9.595 10.247 1.168
749 HB SER 93 QB SER 93 -9.595 10.247 1.168
750 HG SER 93 HG SER 93 -10.515 10.469 3.246
751 H GLY 94 H GLY 94 -9.577 11.614 -0.876
752 1HA GLY 94 1HA GLY 94 -8.719 13.669 -1.575
753 2HA GLY 94 2HA GLY 94 -9.403 14.454 -0.165
754 H LEU 95 H LEU 95 -8.245 11.706 1.194
755 HA LEU 95 HA LEU 95 -5.832 13.043 2.049
756 HB LEU 95 2HB LEU 95 -6.711 10.331 2.967
757 HB LEU 95 QB LEU 95 -6.711 10.331 2.967
758 HG LEU 95 HG LEU 95 -4.760 11.060 4.100
759 1HD1 LEU 95 1HD1 LEU 95 -6.123 13.749 4.304
760 2HD1 LEU 95 2HD1 LEU 95 -4.709 13.300 5.289
761 3HD1 LEU 95 3HD1 LEU 95 -4.580 13.340 3.515
762 1HD2 LEU 95 3HD2 LEU 95 -6.962 10.359 5.426
763 2HD2 LEU 95 1HD2 LEU 95 -5.442 10.782 6.251
764 3HD2 LEU 95 2HD2 LEU 95 -6.747 11.985 6.118
765 H PHE 96 H PHE 96 -6.426 11.666 -0.743
766 HA PHE 96 HA PHE 96 -4.808 9.449 -0.985
767 HB PHE 96 2HB PHE 96 -4.690 11.403 -3.224
768 HB PHE 96 QB PHE 96 -4.690 11.403 -3.224
769 HD1 PHE 96 1HD PHE 96 -4.431 8.264 -2.171
770 HD2 PHE 96 2HD PHE 96 -6.769 10.449 -4.957
771 HE1 PHE 96 1HE PHE 96 -4.790 6.172 -3.510
772 HE2 PHE 96 2HE PHE 96 -7.128 8.356 -6.297
773 HZ PHE 96 HZ PHE 96 -6.133 6.243 -5.558
774 H LYS 97 H LYS 97 -3.959 12.815 -0.466
775 HA LYS 97 HA LYS 97 -1.424 12.790 -1.661
776 HB LYS 97 2HB LYS 97 -1.056 14.836 -0.488
777 HB LYS 97 QB LYS 97 -1.056 14.836 -0.488
778 HG LYS 97 2HG LYS 97 -4.077 14.748 -0.811
779 HG LYS 97 QG LYS 97 -4.077 14.748 -0.811
780 HD LYS 97 2HD LYS 97 -1.890 16.790 -1.417
781 HD LYS 97 QD LYS 97 -1.890 16.790 -1.417
782 HE LYS 97 2HE LYS 97 -4.792 17.476 -1.705
783 HE LYS 97 QE LYS 97 -4.792 17.476 -1.705
784 1HZ LYS 97 1HZ LYS 97 -3.853 19.177 -2.825
785 2HZ LYS 97 2HZ LYS 97 -2.404 18.678 -2.274
786 H ILE 98 H ILE 98 -2.707 11.422 1.320
787 HA ILE 98 HA ILE 98 0.014 10.945 2.277
788 HB ILE 98 HB ILE 98 -0.800 11.176 4.308
789 HG1 ILE 98 2HG1 ILE 98 -2.628 9.003 3.413
790 HG1 ILE 98 QG1 ILE 98 -2.628 9.003 3.413
791 1HG2 ILE 98 3HG2 ILE 98 -2.094 12.943 3.183
792 2HG2 ILE 98 1HG2 ILE 98 -3.448 11.807 2.975
793 3HG2 ILE 98 2HG2 ILE 98 -2.936 12.292 4.609
794 1HD1 ILE 98 1HD1 ILE 98 -0.251 9.241 4.903
795 2HD1 ILE 98 2HD1 ILE 98 -1.513 8.940 6.121
796 3HD1 ILE 98 3HD1 ILE 98 -1.281 7.794 4.778
797 H ILE 99 H ILE 99 -1.728 9.633 -0.037
798 HA ILE 99 HA ILE 99 -1.116 6.897 0.834
799 HB ILE 99 HB ILE 99 -3.566 8.005 -0.472
800 HG1 ILE 99 2HG1 ILE 99 -4.665 6.425 1.093
801 HG1 ILE 99 QG1 ILE 99 -4.665 6.425 1.093
802 1HG2 ILE 99 1HG2 ILE 99 -2.384 5.269 -0.938
803 2HG2 ILE 99 2HG2 ILE 99 -4.133 5.579 -1.052
804 3HG2 ILE 99 3HG2 ILE 99 -3.005 6.441 -2.125
805 1HD1 ILE 99 3HD1 ILE 99 -2.467 4.957 1.188
806 2HD1 ILE 99 1HD1 ILE 99 -1.990 6.100 2.467
807 3HD1 ILE 99 2HD1 ILE 99 -3.473 5.130 2.646
808 H ARG 100 H ARG 100 -0.736 9.506 -1.420
809 HA ARG 100 HA ARG 100 -0.012 9.568 -3.512
810 HB ARG 100 2HB ARG 100 2.216 7.820 -2.366
811 HB ARG 100 QB ARG 100 2.216 7.820 -2.366
812 HG ARG 100 2HG ARG 100 1.944 9.287 -4.789
813 HG ARG 100 QG ARG 100 1.944 9.287 -4.789
814 HD ARG 100 2HD ARG 100 3.805 10.938 -4.566
815 HD ARG 100 QD ARG 100 3.805 10.938 -4.566
816 HE ARG 100 HE ARG 100 1.229 11.286 -3.253
817 1HH1 ARG 100 2HH2 ARG 100 4.331 12.878 -3.886
818 2HH1 ARG 100 1HH2 ARG 100 3.687 14.477 -3.712
819 HH2 ARG 100 1HH ARG 100 1.362 14.757 -3.207
820 H PHE 101 H PHE 101 -1.566 8.280 -4.712
821 HA PHE 101 HA PHE 101 -0.679 5.532 -5.226
822 HB PHE 101 2HB PHE 101 -3.373 6.505 -6.117
823 HB PHE 101 QB PHE 101 -3.373 6.505 -6.117
824 HD1 PHE 101 2HD PHE 101 -3.174 4.273 -7.238
825 HD2 PHE 101 1HD PHE 101 -3.181 4.679 -3.014
826 HE1 PHE 101 2HE PHE 101 -3.733 1.836 -7.005
827 HE2 PHE 101 1HE PHE 101 -3.740 2.243 -2.780
828 HZ PHE 101 HZ PHE 101 -4.010 0.851 -4.778
829 H GLU 102 H GLU 102 -1.455 4.770 -7.537
830 HA GLU 102 HA GLU 102 -1.302 6.925 -9.442
831 HB GLU 102 2HB GLU 102 0.531 4.678 -10.104
832 HB GLU 102 QB GLU 102 0.531 4.678 -10.104
833 HG GLU 102 2HG GLU 102 0.050 7.302 -10.988
834 HG GLU 102 QG GLU 102 0.050 7.302 -10.988
835 HE2 GLU 102 HE GLU 102 3.205 7.332 -11.217
836 H GLN 103 H GLN 103 -0.578 4.757 -11.534
837 HA GLN 103 HA GLN 103 -2.875 3.043 -11.344
838 HB GLN 103 2HB GLN 103 -3.791 3.731 -13.537
839 HB GLN 103 QB GLN 103 -3.791 3.731 -13.537
840 HG GLN 103 2HG GLN 103 -3.405 6.032 -11.565
841 HG GLN 103 QG GLN 103 -3.405 6.032 -11.565
842 1HE2 GLN 103 2HE2 GLN 103 -5.415 8.217 -13.348
843 2HE2 GLN 103 1HE2 GLN 103 -4.448 7.867 -11.954
844 H SER 104 H SER 104 -1.350 1.315 -11.278
845 HA SER 104 HA SER 104 0.124 -0.113 -12.013
846 HB SER 104 2HB SER 104 -1.333 0.545 -14.601
847 HB SER 104 QB SER 104 -1.333 0.545 -14.601
848 HG SER 104 HG SER 104 0.559 -1.572 -14.034
849 H GLU 105 H GLU 105 -0.023 2.384 -14.669
850 HA GLU 105 HA GLU 105 2.358 2.241 -15.716
851 HB GLU 105 2HB GLU 105 0.746 4.662 -14.900
852 HB GLU 105 QB GLU 105 0.746 4.662 -14.900
853 HG GLU 105 2HG GLU 105 3.503 4.623 -16.183
854 HG GLU 105 QG GLU 105 3.503 4.623 -16.183
855 HE2 GLU 105 HE GLU 105 1.577 8.030 -16.893
856 H GLN 106 H GLN 106 1.698 3.293 -12.384
857 HA GLN 106 HA GLN 106 4.224 4.409 -11.932
858 HB GLN 106 2HB GLN 106 1.948 3.455 -10.191
859 HB GLN 106 QB GLN 106 1.948 3.455 -10.191
860 HG GLN 106 2HG GLN 106 4.780 4.109 -9.330
861 HG GLN 106 QG GLN 106 4.780 4.109 -9.330
862 1HE2 GLN 106 2HE2 GLN 106 1.843 4.826 -6.506
863 2HE2 GLN 106 1HE2 GLN 106 1.819 3.430 -7.532
864 H GLN 107 H GLN 107 3.358 1.247 -12.652
865 HA GLN 107 HA GLN 107 4.377 -0.472 -10.992
866 HB GLN 107 2HB GLN 107 5.061 -0.313 -13.960
867 HB GLN 107 QB GLN 107 5.061 -0.313 -13.960
868 HG GLN 107 2HG GLN 107 5.297 -2.567 -11.928
869 HG GLN 107 QG GLN 107 5.297 -2.567 -11.928
870 1HE2 GLN 107 2HE2 GLN 107 5.568 -3.784 -15.838
871 2HE2 GLN 107 1HE2 GLN 107 6.523 -2.500 -15.175
872 H ALA 108 H ALA 108 6.265 2.035 -12.657
873 HA ALA 108 HA ALA 108 8.770 0.892 -11.754
874 1HB ALA 108 2HB ALA 108 7.912 2.564 -13.878
875 2HB ALA 108 3HB ALA 108 8.952 3.571 -12.843
876 3HB ALA 108 1HB ALA 108 9.573 2.042 -13.510
877 H LEU 109 H LEU 109 6.784 3.892 -11.252
878 HA LEU 109 HA LEU 109 8.458 4.897 -9.232
879 HB LEU 109 2HB LEU 109 5.780 5.827 -8.929
880 HB LEU 109 QB LEU 109 5.780 5.827 -8.929
881 HG LEU 109 HG LEU 109 8.163 7.058 -10.340
882 1HD1 LEU 109 3HD1 LEU 109 5.865 7.901 -11.057
883 2HD1 LEU 109 1HD1 LEU 109 5.705 8.539 -9.403
884 3HD1 LEU 109 2HD1 LEU 109 7.022 9.111 -10.453
885 1HD2 LEU 109 1HD2 LEU 109 8.251 6.524 -7.819
886 2HD2 LEU 109 2HD2 LEU 109 8.679 8.166 -8.357
887 3HD2 LEU 109 3HD2 LEU 109 7.079 7.853 -7.645
888 H LEU 110 H LEU 110 6.170 2.291 -9.325
889 HA LEU 110 HA LEU 110 5.165 2.363 -6.746
890 HB LEU 110 2HB LEU 110 5.814 -0.285 -7.871
891 HB LEU 110 QB LEU 110 5.814 -0.285 -7.871
892 HG LEU 110 HG LEU 110 3.438 -0.705 -7.647
893 1HD1 LEU 110 1HD1 LEU 110 5.184 -0.014 -5.481
894 2HD1 LEU 110 2HD1 LEU 110 3.512 0.413 -5.046
895 3HD1 LEU 110 3HD1 LEU 110 3.903 -1.248 -5.550
896 1HD2 LEU 110 2HD2 LEU 110 3.233 2.234 -6.953
897 2HD2 LEU 110 3HD2 LEU 110 2.472 1.371 -8.311
898 3HD2 LEU 110 1HD2 LEU 110 1.946 1.044 -6.643
899 H THR 111 H THR 111 8.322 1.264 -8.031
900 HA THR 111 HA THR 111 9.217 -0.093 -5.775
901 HB THR 111 HB THR 111 10.269 1.053 -8.283
902 HG1 THR 111 1HG THR 111 11.215 -1.036 -8.158
903 1HG2 THR 111 1HG2 THR 111 11.741 2.294 -6.617
904 2HG2 THR 111 2HG2 THR 111 12.171 0.720 -5.905
905 3HG2 THR 111 3HG2 THR 111 12.628 1.093 -7.585
906 H LEU 112 H LEU 112 8.181 3.097 -5.925
907 HA LEU 112 HA LEU 112 8.112 4.440 -4.078
908 HB LEU 112 2HB LEU 112 10.711 3.147 -3.239
909 HB LEU 112 QB LEU 112 10.711 3.147 -3.239
910 HG LEU 112 HG LEU 112 9.229 5.419 -2.134
911 1HD1 LEU 112 1HD1 LEU 112 8.245 3.648 -0.735
912 2HD1 LEU 112 2HD1 LEU 112 9.879 3.127 -0.261
913 3HD1 LEU 112 3HD1 LEU 112 9.293 4.744 0.197
914 1HD2 LEU 112 1HD2 LEU 112 11.959 4.243 -2.046
915 2HD2 LEU 112 2HD2 LEU 112 11.431 5.920 -2.328
916 3HD2 LEU 112 3HD2 LEU 112 11.467 5.265 -0.673
917 H GLY 113 H GLY 113 9.268 4.604 -6.847
918 1HA GLY 113 1HA GLY 113 10.569 5.960 -8.106
919 2HA GLY 113 2HA GLY 113 9.999 7.192 -6.997
920 H VAL 114 H VAL 114 11.988 4.488 -5.822
921 HA VAL 114 HA VAL 114 14.375 6.153 -5.904
922 HB VAL 114 HB VAL 114 12.994 5.163 -3.416
923 1HG1 VAL 114 3HG1 VAL 114 15.912 5.620 -3.907
924 2HG1 VAL 114 1HG1 VAL 114 15.221 6.139 -2.352
925 3HG1 VAL 114 2HG1 VAL 114 15.100 4.436 -2.856
926 1HG2 VAL 114 1HG2 VAL 114 13.870 7.835 -4.491
927 2HG2 VAL 114 2HG2 VAL 114 12.295 7.344 -3.823
928 3HG2 VAL 114 3HG2 VAL 114 13.686 7.585 -2.738
929 H ALA 115 H ALA 115 14.567 4.381 -7.642
930 HA ALA 115 HA ALA 115 16.480 2.629 -7.103
931 1HB ALA 115 3HB ALA 115 13.962 1.690 -5.891
932 2HB ALA 115 1HB ALA 115 14.730 0.491 -6.959
933 3HB ALA 115 2HB ALA 115 15.638 1.174 -5.589
934 H SER 116 H SER 116 16.950 3.087 -9.261
935 HA SER 116 HA SER 116 16.892 2.896 -11.422
936 HB SER 116 2HB SER 116 15.314 0.431 -10.648
937 HB SER 116 QB SER 116 15.314 0.431 -10.648
938 HG SER 116 HG SER 116 14.585 0.331 -12.661
No H/Q in entry = 795
Start of MODEL 20
1 H SER 1 H SER 1 -9.246 -15.876 0.043
2 HA SER 1 HA SER 1 -11.604 -14.758 0.032
3 HB SER 1 2HB SER 1 -11.689 -13.276 2.119
4 HB SER 1 QB SER 1 -11.689 -13.276 2.119
5 HG SER 1 HG SER 1 -12.500 -15.035 3.490
6 H LEU 2 H LEU 2 -8.169 -14.466 0.748
7 HA LEU 2 HA LEU 2 -7.923 -12.319 -1.100
8 HB LEU 2 2HB LEU 2 -7.760 -11.772 1.837
9 HB LEU 2 QB LEU 2 -7.760 -11.772 1.837
10 HG LEU 2 HG LEU 2 -5.655 -11.000 0.176
11 1HD1 LEU 2 2HD1 LEU 2 -7.638 -9.392 -0.678
12 2HD1 LEU 2 3HD1 LEU 2 -7.032 -8.422 0.686
13 3HD1 LEU 2 1HD1 LEU 2 -5.927 -8.905 -0.624
14 1HD2 LEU 2 1HD2 LEU 2 -6.661 -10.403 2.877
15 2HD2 LEU 2 2HD2 LEU 2 -5.027 -10.842 2.321
16 3HD2 LEU 2 3HD2 LEU 2 -5.588 -9.157 2.193
17 H GLY 3 H GLY 3 -5.811 -12.198 -1.914
18 1HA GLY 3 1HA GLY 3 -4.130 -14.452 -1.197
19 2HA GLY 3 2HA GLY 3 -3.929 -13.346 -2.540
20 H ILE 4 H ILE 4 -1.626 -13.213 -1.955
21 HA ILE 4 HA ILE 4 -0.991 -10.926 -0.566
22 HB ILE 4 HB ILE 4 -1.766 -12.652 1.305
23 HG1 ILE 4 2HG1 ILE 4 0.053 -11.420 2.780
24 HG1 ILE 4 QG1 ILE 4 0.053 -11.420 2.780
25 1HG2 ILE 4 2HG2 ILE 4 -0.143 -14.378 0.708
26 2HG2 ILE 4 3HG2 ILE 4 1.192 -13.235 0.992
27 3HG2 ILE 4 1HG2 ILE 4 0.158 -13.749 2.346
28 1HD1 ILE 4 1HD1 ILE 4 1.351 -10.761 0.657
29 2HD1 ILE 4 2HD1 ILE 4 -0.011 -9.680 0.282
30 3HD1 ILE 4 3HD1 ILE 4 0.940 -9.431 1.766
31 H ASP 5 H ASP 5 1.047 -10.316 -1.195
32 HA ASP 5 HA ASP 5 2.896 -12.407 -1.902
33 HB ASP 5 2HB ASP 5 2.879 -10.296 -3.950
34 HB ASP 5 QB ASP 5 2.879 -10.296 -3.950
35 HD1 ASP 5 HD ASP 5 4.620 -12.830 -3.745
36 H MET 6 H MET 6 5.097 -11.647 -1.697
37 HA MET 6 HA MET 6 5.391 -8.805 -1.173
38 HB MET 6 2HB MET 6 7.082 -10.576 0.522
39 HB MET 6 QB MET 6 7.082 -10.576 0.522
40 HG MET 6 2HG MET 6 5.154 -8.657 1.744
41 HG MET 6 QG MET 6 5.154 -8.657 1.744
42 1HE MET 6 1HE MET 6 8.579 -7.988 0.568
43 2HE MET 6 2HE MET 6 9.655 -8.177 1.973
44 3HE MET 6 3HE MET 6 9.161 -9.605 1.032
45 H ASN 7 H ASN 7 7.347 -7.910 -1.905
46 HA ASN 7 HA ASN 7 9.348 -9.788 -2.816
47 HB ASN 7 2HB ASN 7 9.185 -7.671 -4.772
48 HB ASN 7 QB ASN 7 9.185 -7.671 -4.772
49 1HD2 ASN 7 2HD2 ASN 7 10.602 -10.569 -6.189
50 2HD2 ASN 7 1HD2 ASN 7 10.896 -9.095 -5.330
51 H VAL 8 H VAL 8 11.491 -8.851 -2.730
52 HA VAL 8 HA VAL 8 11.553 -6.147 -1.582
53 HB VAL 8 HB VAL 8 12.485 -8.555 -0.566
54 1HG1 VAL 8 1HG1 VAL 8 14.347 -8.443 -2.235
55 2HG1 VAL 8 2HG1 VAL 8 14.880 -6.927 -1.473
56 3HG1 VAL 8 3HG1 VAL 8 14.893 -8.443 -0.541
57 1HG2 VAL 8 1HG2 VAL 8 11.884 -6.495 0.674
58 2HG2 VAL 8 2HG2 VAL 8 13.435 -7.187 1.208
59 3HG2 VAL 8 3HG2 VAL 8 13.416 -5.755 0.152
60 H LYS 9 H LYS 9 12.832 -4.585 -2.544
61 HA LYS 9 HA LYS 9 14.586 -5.454 -4.705
62 HB LYS 9 2HB LYS 9 13.442 -4.511 -6.380
63 HB LYS 9 QB LYS 9 13.442 -4.511 -6.380
64 HG LYS 9 2HG LYS 9 10.935 -4.063 -5.813
65 HG LYS 9 QG LYS 9 10.935 -4.063 -5.813
66 HD LYS 9 2HD LYS 9 11.012 -6.717 -4.882
67 HD LYS 9 QD LYS 9 11.012 -6.717 -4.882
68 HE LYS 9 2HE LYS 9 11.369 -6.183 -7.823
69 HE LYS 9 QE LYS 9 11.369 -6.183 -7.823
70 1HZ LYS 9 1HZ LYS 9 9.368 -7.617 -7.823
71 2HZ LYS 9 2HZ LYS 9 10.607 -8.340 -7.050
72 H GLU 10 H GLU 10 16.510 -4.818 -3.844
73 HA GLU 10 HA GLU 10 18.082 -3.511 -3.114
74 HB GLU 10 2HB GLU 10 16.199 -1.423 -4.221
75 HB GLU 10 QB GLU 10 16.199 -1.423 -4.221
76 HG GLU 10 2HG GLU 10 18.480 -0.989 -2.348
77 HG GLU 10 QG GLU 10 18.480 -0.989 -2.348
78 HE1 GLU 10 HE GLU 10 20.427 0.321 -4.977
79 H SER 11 H SER 11 14.791 -2.940 -1.944
80 HA SER 11 HA SER 11 15.294 -3.277 0.640
81 HB SER 11 2HB SER 11 16.444 -1.507 1.437
82 HB SER 11 QB SER 11 16.444 -1.507 1.437
83 HG SER 11 HG SER 11 16.153 0.356 -0.606
84 H VAL 12 H VAL 12 13.474 -2.339 -2.003
85 HA VAL 12 HA VAL 12 11.233 -1.280 -0.502
86 HB VAL 12 HB VAL 12 11.995 -0.428 -2.744
87 1HG1 VAL 12 2HG1 VAL 12 12.266 -2.899 -3.585
88 2HG1 VAL 12 3HG1 VAL 12 10.540 -2.745 -3.991
89 3HG1 VAL 12 1HG1 VAL 12 11.725 -1.627 -4.707
90 1HG2 VAL 12 1HG2 VAL 12 9.732 -0.019 -1.756
91 2HG2 VAL 12 2HG2 VAL 12 9.758 0.001 -3.536
92 3HG2 VAL 12 3HG2 VAL 12 9.127 -1.422 -2.670
93 H LEU 13 H LEU 13 9.760 -2.575 0.455
94 HA LEU 13 HA LEU 13 9.728 -5.376 -0.333
95 HB LEU 13 2HB LEU 13 9.876 -5.357 1.919
96 HB LEU 13 QB LEU 13 9.876 -5.357 1.919
97 HG LEU 13 HG LEU 13 8.520 -3.821 3.425
98 1HD1 LEU 13 1HD1 LEU 13 10.925 -3.104 1.829
99 2HD1 LEU 13 2HD1 LEU 13 10.169 -1.814 2.796
100 3HD1 LEU 13 3HD1 LEU 13 10.725 -3.310 3.586
101 1HD2 LEU 13 1HD2 LEU 13 8.042 -2.485 0.773
102 2HD2 LEU 13 2HD2 LEU 13 6.894 -2.849 2.083
103 3HD2 LEU 13 3HD2 LEU 13 8.084 -1.540 2.281
104 H CYS 14 H CYS 14 8.564 -5.565 -2.226
105 HA CYS 14 HA CYS 14 6.261 -4.020 -2.715
106 HB CYS 14 2HB CYS 14 6.215 -5.018 -4.776
107 HB CYS 14 QB CYS 14 6.215 -5.018 -4.776
108 HG CYS 14 HG CYS 14 8.389 -4.863 -5.761
109 H ILE 15 H ILE 15 4.053 -4.570 -2.433
110 HA ILE 15 HA ILE 15 3.553 -7.138 -1.109
111 HB ILE 15 HB ILE 15 3.122 -4.420 -0.099
112 HG1 ILE 15 2HG1 ILE 15 3.152 -5.616 2.058
113 HG1 ILE 15 QG1 ILE 15 3.152 -5.616 2.058
114 1HG2 ILE 15 1HG2 ILE 15 0.846 -6.366 -0.285
115 2HG2 ILE 15 2HG2 ILE 15 1.004 -5.314 1.141
116 3HG2 ILE 15 3HG2 ILE 15 0.855 -4.597 -0.481
117 1HD1 ILE 15 1HD1 ILE 15 2.087 -7.752 0.967
118 2HD1 ILE 15 2HD1 ILE 15 3.761 -8.150 0.510
119 3HD1 ILE 15 3HD1 ILE 15 3.327 -7.965 2.225
120 H ARG 16 H ARG 16 2.546 -8.248 -2.727
121 HA ARG 16 HA ARG 16 0.561 -6.773 -4.238
122 HB ARG 16 2HB ARG 16 1.018 -9.551 -5.096
123 HB ARG 16 QB ARG 16 1.018 -9.551 -5.096
124 HG ARG 16 2HG ARG 16 0.715 -6.868 -6.219
125 HG ARG 16 QG ARG 16 0.715 -6.868 -6.219
126 HD ARG 16 2HD ARG 16 2.989 -8.621 -7.241
127 HD ARG 16 QD ARG 16 2.989 -8.621 -7.241
128 HE ARG 16 HE ARG 16 2.090 -6.387 -8.922
129 1HH1 ARG 16 2HH2 ARG 16 1.850 -9.876 -8.355
130 2HH1 ARG 16 1HH2 ARG 16 1.346 -10.231 -9.974
131 HH2 ARG 16 1HH ARG 16 1.103 -8.437 -11.545
132 H LEU 17 H LEU 17 -1.364 -6.830 -3.052
133 HA LEU 17 HA LEU 17 -2.138 -9.408 -1.909
134 HB LEU 17 2HB LEU 17 -3.981 -7.762 -0.948
135 HB LEU 17 QB LEU 17 -3.981 -7.762 -0.948
136 HG LEU 17 HG LEU 17 -1.170 -8.162 0.036
137 1HD1 LEU 17 2HD1 LEU 17 -2.259 -5.783 0.553
138 2HD1 LEU 17 3HD1 LEU 17 -3.072 -6.726 1.824
139 3HD1 LEU 17 1HD1 LEU 17 -1.295 -6.678 1.752
140 1HD2 LEU 17 3HD2 LEU 17 -3.914 -9.128 0.766
141 2HD2 LEU 17 1HD2 LEU 17 -2.411 -10.044 0.503
142 3HD2 LEU 17 2HD2 LEU 17 -2.628 -9.099 1.996
143 H THR 18 H THR 18 -3.802 -10.599 -2.736
144 HA THR 18 HA THR 18 -5.470 -9.287 -4.774
145 HB THR 18 HB THR 18 -5.286 -11.753 -5.814
146 HG1 THR 18 1HG THR 18 -3.129 -12.567 -5.240
147 1HG2 THR 18 3HG2 THR 18 -3.161 -9.564 -5.947
148 2HG2 THR 18 1HG2 THR 18 -3.040 -11.049 -6.922
149 3HG2 THR 18 2HG2 THR 18 -4.417 -9.944 -7.151
150 H GLY 19 H GLY 19 -7.516 -9.233 -4.116
151 1HA GLY 19 1HA GLY 19 -9.157 -11.290 -3.625
152 2HA GLY 19 2HA GLY 19 -8.404 -11.075 -2.057
153 H GLU 20 H GLU 20 -9.524 -9.781 -0.675
154 HA GLU 20 HA GLU 20 -10.991 -7.574 -1.896
155 HB GLU 20 2HB GLU 20 -12.294 -8.179 0.529
156 HB GLU 20 QB GLU 20 -12.294 -8.179 0.529
157 HG GLU 20 2HG GLU 20 -12.938 -7.828 -2.177
158 HG GLU 20 QG GLU 20 -12.938 -7.828 -2.177
159 HE2 GLU 20 HE GLU 20 -14.581 -9.171 -3.467
160 H LEU 21 H LEU 21 -11.334 -5.679 -0.402
161 HA LEU 21 HA LEU 21 -9.143 -5.530 1.550
162 HB LEU 21 2HB LEU 21 -9.664 -2.938 0.807
163 HB LEU 21 QB LEU 21 -9.664 -2.938 0.807
164 HG LEU 21 HG LEU 21 -7.563 -2.843 -0.156
165 1HD1 LEU 21 3HD1 LEU 21 -7.742 -4.038 2.199
166 2HD1 LEU 21 1HD1 LEU 21 -7.014 -5.390 1.301
167 3HD1 LEU 21 2HD1 LEU 21 -6.180 -3.820 1.375
168 1HD2 LEU 21 3HD2 LEU 21 -8.368 -4.800 -1.820
169 2HD2 LEU 21 1HD2 LEU 21 -6.681 -4.249 -1.687
170 3HD2 LEU 21 2HD2 LEU 21 -7.211 -5.710 -0.820
171 H ASP 22 H ASP 22 -10.113 -5.839 3.505
172 HA ASP 22 HA ASP 22 -12.001 -3.865 4.287
173 HB ASP 22 2HB ASP 22 -13.855 -5.119 3.887
174 HB ASP 22 QB ASP 22 -13.855 -5.119 3.887
175 HD2 ASP 22 HD ASP 22 -12.658 -8.781 3.751
176 H HIS 23 H HIS 23 -12.641 -4.410 6.757
177 HA HIS 23 HA HIS 23 -10.420 -4.484 8.268
178 HB HIS 23 2HB HIS 23 -12.920 -4.032 8.841
179 HB HIS 23 QB HIS 23 -12.920 -4.032 8.841
180 HD1 HIS 23 1HD HIS 23 -12.251 -6.823 11.216
181 HD2 HIS 23 2HD HIS 23 -14.790 -6.051 7.968
182 HE1 HIS 23 1HE HIS 23 -14.063 -8.618 11.283
183 H HIS 24 H HIS 24 -12.015 -7.188 6.674
184 HA HIS 24 HA HIS 24 -10.807 -9.178 8.306
185 HB HIS 24 2HB HIS 24 -11.527 -10.556 6.136
186 HB HIS 24 QB HIS 24 -11.527 -10.556 6.136
187 HD1 HIS 24 1HD HIS 24 -14.758 -9.152 6.790
188 HD2 HIS 24 2HD HIS 24 -12.085 -11.530 8.980
189 HE1 HIS 24 1HE HIS 24 -16.131 -10.259 8.634
190 H THR 25 H THR 25 -10.258 -7.982 4.917
191 HA THR 25 HA THR 25 -7.778 -9.443 4.767
192 HB THR 25 HB THR 25 -7.935 -8.922 2.485
193 HG1 THR 25 1HG THR 25 -7.716 -6.635 2.718
194 1HG2 THR 25 1HG2 THR 25 -10.361 -9.586 3.540
195 2HG2 THR 25 2HG2 THR 25 -10.745 -7.954 2.946
196 3HG2 THR 25 3HG2 THR 25 -10.150 -9.195 1.817
197 H ALA 26 H ALA 26 -8.857 -6.192 5.643
198 HA ALA 26 HA ALA 26 -6.340 -4.955 5.273
199 1HB ALA 26 2HB ALA 26 -8.950 -4.321 6.622
200 2HB ALA 26 3HB ALA 26 -7.523 -3.337 7.024
201 3HB ALA 26 1HB ALA 26 -8.088 -3.438 5.340
202 H GLU 27 H GLU 27 -7.533 -7.280 7.520
203 HA GLU 27 HA GLU 27 -5.996 -6.390 9.726
204 HB GLU 27 2HB GLU 27 -6.659 -9.223 9.828
205 HB GLU 27 QB GLU 27 -6.659 -9.223 9.828
206 HG GLU 27 2HG GLU 27 -8.126 -6.949 11.209
207 HG GLU 27 QG GLU 27 -8.126 -6.949 11.209
208 HE2 GLU 27 HE GLU 27 -9.596 -9.475 12.765
209 H THR 28 H THR 28 -5.696 -9.033 7.260
210 HA THR 28 HA THR 28 -3.388 -10.209 8.154
211 HB THR 28 HB THR 28 -4.709 -9.765 5.462
212 HG1 THR 28 1HG THR 28 -5.498 -11.437 6.835
213 1HG2 THR 28 2HG2 THR 28 -2.148 -9.853 5.125
214 2HG2 THR 28 3HG2 THR 28 -2.201 -11.462 5.884
215 3HG2 THR 28 1HG2 THR 28 -3.068 -11.168 4.357
216 H LEU 29 H LEU 29 -3.722 -7.225 6.160
217 HA LEU 29 HA LEU 29 -0.911 -6.930 5.894
218 HB LEU 29 2HB LEU 29 -3.222 -5.038 5.447
219 HB LEU 29 QB LEU 29 -3.222 -5.038 5.447
220 HG LEU 29 HG LEU 29 -1.552 -3.977 3.798
221 1HD1 LEU 29 2HD1 LEU 29 -1.732 -3.522 6.750
222 2HD1 LEU 29 3HD1 LEU 29 -0.561 -2.576 5.799
223 3HD1 LEU 29 1HD1 LEU 29 -2.294 -2.513 5.396
224 1HD2 LEU 29 1HD2 LEU 29 0.163 -5.860 4.420
225 2HD2 LEU 29 2HD2 LEU 29 0.719 -4.204 4.081
226 3HD2 LEU 29 3HD2 LEU 29 0.570 -4.765 5.763
227 H LYS 30 H LYS 30 -3.304 -6.167 8.356
228 HA LYS 30 HA LYS 30 -2.131 -4.026 9.607
229 HB LYS 30 2HB LYS 30 -3.305 -6.194 11.290
230 HB LYS 30 QB LYS 30 -3.305 -6.194 11.290
231 HG LYS 30 2HG LYS 30 -4.750 -4.076 11.865
232 HG LYS 30 QG LYS 30 -4.750 -4.076 11.865
233 HD LYS 30 2HD LYS 30 -3.028 -3.253 13.421
234 HD LYS 30 QD LYS 30 -3.028 -3.253 13.421
235 HE LYS 30 2HE LYS 30 -2.167 -6.094 13.346
236 HE LYS 30 QE LYS 30 -2.167 -6.094 13.346
237 1HZ LYS 30 1HZ LYS 30 -2.672 -4.185 15.241
238 2HZ LYS 30 2HZ LYS 30 -3.928 -5.205 15.422
239 H GLN 31 H GLN 31 -1.360 -7.541 9.866
240 HA GLN 31 HA GLN 31 0.628 -7.052 11.822
241 HB GLN 31 2HB GLN 31 -0.740 -9.217 11.422
242 HB GLN 31 QB GLN 31 -0.740 -9.217 11.422
243 HG GLN 31 2HG GLN 31 1.545 -10.100 9.687
244 HG GLN 31 QG GLN 31 1.545 -10.100 9.687
245 1HE2 GLN 31 2HE2 GLN 31 -2.363 -11.511 9.800
246 2HE2 GLN 31 1HE2 GLN 31 -1.999 -9.827 9.981
247 H LYS 32 H LYS 32 0.480 -7.322 8.270
248 HA LYS 32 HA LYS 32 3.274 -7.610 7.906
249 HB LYS 32 2HB LYS 32 1.148 -6.645 5.971
250 HB LYS 32 QB LYS 32 1.148 -6.645 5.971
251 HG LYS 32 2HG LYS 32 3.508 -6.218 5.250
252 HG LYS 32 QG LYS 32 3.508 -6.218 5.250
253 HD LYS 32 2HD LYS 32 3.925 -8.807 6.466
254 HD LYS 32 QD LYS 32 3.925 -8.807 6.466
255 HE LYS 32 2HE LYS 32 5.185 -8.753 3.731
256 HE LYS 32 QE LYS 32 5.185 -8.753 3.731
257 1HZ LYS 32 1HZ LYS 32 5.398 -10.425 5.783
258 2HZ LYS 32 2HZ LYS 32 4.150 -11.150 5.027
259 H VAL 33 H VAL 33 1.402 -5.073 9.126
260 HA VAL 33 HA VAL 33 2.962 -2.965 7.910
261 HB VAL 33 HB VAL 33 0.832 -2.956 10.058
262 1HG1 VAL 33 3HG1 VAL 33 2.332 -0.735 8.670
263 2HG1 VAL 33 1HG1 VAL 33 0.696 -0.480 9.324
264 3HG1 VAL 33 2HG1 VAL 33 2.021 -0.969 10.407
265 1HG2 VAL 33 1HG2 VAL 33 0.648 -3.328 7.240
266 2HG2 VAL 33 2HG2 VAL 33 -0.669 -3.134 8.421
267 3HG2 VAL 33 3HG2 VAL 33 0.018 -1.706 7.613
268 H THR 34 H THR 34 2.458 -4.423 11.194
269 HA THR 34 HA THR 34 4.305 -2.870 12.548
270 HB THR 34 HB THR 34 2.791 -4.251 13.793
271 HG1 THR 34 1HG THR 34 5.307 -5.746 13.686
272 1HG2 THR 34 1HG2 THR 34 3.921 -6.559 12.129
273 2HG2 THR 34 2HG2 THR 34 2.956 -6.800 13.605
274 3HG2 THR 34 3HG2 THR 34 2.229 -6.009 12.186
275 H GLN 35 H GLN 35 4.804 -5.797 10.530
276 HA GLN 35 HA GLN 35 7.437 -6.193 11.269
277 HB GLN 35 2HB GLN 35 6.093 -7.863 10.047
278 HB GLN 35 QB GLN 35 6.093 -7.863 10.047
279 HG GLN 35 2HG GLN 35 5.137 -5.933 8.478
280 HG GLN 35 QG GLN 35 5.137 -5.933 8.478
281 1HE2 GLN 35 2HE2 GLN 35 6.696 -5.338 5.315
282 2HE2 GLN 35 1HE2 GLN 35 5.170 -5.626 6.082
283 H SER 36 H SER 36 5.955 -4.211 8.634
284 HA SER 36 HA SER 36 8.507 -3.399 7.693
285 HB SER 36 2HB SER 36 6.133 -1.766 6.956
286 HB SER 36 QB SER 36 6.133 -1.766 6.956
287 HG SER 36 HG SER 36 6.972 -2.058 4.896
288 H LEU 37 H LEU 37 6.204 -2.366 10.135
289 HA LEU 37 HA LEU 37 6.633 0.332 10.271
290 HB LEU 37 2HB LEU 37 6.486 -0.524 12.914
291 HB LEU 37 QB LEU 37 6.486 -0.524 12.914
292 HG LEU 37 HG LEU 37 4.901 1.061 12.411
293 1HD1 LEU 37 1HD1 LEU 37 4.465 -0.471 9.861
294 2HD1 LEU 37 2HD1 LEU 37 3.253 0.700 10.437
295 3HD1 LEU 37 3HD1 LEU 37 4.917 1.233 10.101
296 1HD2 LEU 37 3HD2 LEU 37 3.958 -1.052 13.582
297 2HD2 LEU 37 1HD2 LEU 37 2.831 0.196 12.999
298 3HD2 LEU 37 2HD2 LEU 37 3.068 -1.297 12.059
299 H GLU 38 H GLU 38 8.737 -2.369 11.299
300 HA GLU 38 HA GLU 38 10.941 -0.596 11.301
301 HB GLU 38 2HB GLU 38 11.615 -1.208 13.709
302 HB GLU 38 QB GLU 38 11.615 -1.208 13.709
303 HG GLU 38 2HG GLU 38 9.063 0.438 13.612
304 HG GLU 38 QG GLU 38 9.063 0.438 13.612
305 HE2 GLU 38 HE GLU 38 10.533 2.737 14.913
306 H LYS 39 H LYS 39 11.247 -2.271 9.560
307 HA LYS 39 HA LYS 39 11.637 -4.976 10.335
308 HB LYS 39 2HB LYS 39 12.504 -3.555 7.800
309 HB LYS 39 QB LYS 39 12.504 -3.555 7.800
310 HG LYS 39 2HG LYS 39 13.233 -6.045 8.556
311 HG LYS 39 QG LYS 39 13.233 -6.045 8.556
312 HD LYS 39 2HD LYS 39 11.255 -7.256 6.962
313 HD LYS 39 QD LYS 39 11.255 -7.256 6.962
314 HE LYS 39 2HE LYS 39 10.926 -7.367 9.942
315 HE LYS 39 QE LYS 39 10.926 -7.367 9.942
316 1HZ LYS 39 1HZ LYS 39 11.666 -9.629 8.243
317 2HZ LYS 39 2HZ LYS 39 10.584 -9.571 9.460
318 H ASP 40 H ASP 40 13.790 -2.156 9.653
319 HA ASP 40 HA ASP 40 15.639 -2.916 11.527
320 HB ASP 40 2HB ASP 40 17.494 -3.384 9.613
321 HB ASP 40 QB ASP 40 17.494 -3.384 9.613
322 HD2 ASP 40 HD ASP 40 17.159 -6.715 9.583
323 H ASP 41 H ASP 41 16.854 -2.142 8.264
324 HA ASP 41 HA ASP 41 17.636 0.431 9.162
325 HB ASP 41 2HB ASP 41 17.726 -0.461 6.268
326 HB ASP 41 QB ASP 41 17.726 -0.461 6.268
327 HD2 ASP 41 HD ASP 41 19.889 2.126 5.891
328 H ILE 42 H ILE 42 17.252 1.393 6.184
329 HA ILE 42 HA ILE 42 14.438 2.165 6.514
330 HB ILE 42 HB ILE 42 16.827 3.682 6.110
331 HG1 ILE 42 2HG1 ILE 42 14.035 4.804 6.127
332 HG1 ILE 42 QG1 ILE 42 14.035 4.804 6.127
333 1HG2 ILE 42 1HG2 ILE 42 14.870 3.714 3.818
334 2HG2 ILE 42 2HG2 ILE 42 15.840 5.144 4.244
335 3HG2 ILE 42 3HG2 ILE 42 16.648 3.627 3.781
336 1HD1 ILE 42 2HD1 ILE 42 15.355 3.085 8.181
337 2HD1 ILE 42 3HD1 ILE 42 14.670 4.616 8.777
338 3HD1 ILE 42 1HD1 ILE 42 13.628 3.443 7.935
339 H ARG 43 H ARG 43 13.429 0.479 5.408
340 HA ARG 43 HA ARG 43 14.465 -0.260 2.857
341 HB ARG 43 2HB ARG 43 12.143 -1.613 2.937
342 HB ARG 43 QB ARG 43 12.143 -1.613 2.937
343 HG ARG 43 2HG ARG 43 13.637 -2.874 5.014
344 HG ARG 43 QG ARG 43 13.637 -2.874 5.014
345 HD ARG 43 2HD ARG 43 14.406 -3.458 2.194
346 HD ARG 43 QD ARG 43 14.406 -3.458 2.194
347 HE ARG 43 HE ARG 43 13.014 -5.504 3.657
348 1HH1 ARG 43 2HH2 ARG 43 16.045 -3.669 3.732
349 2HH1 ARG 43 1HH2 ARG 43 16.921 -4.913 4.559
350 HH2 ARG 43 1HH ARG 43 15.799 -6.948 5.146
351 H HIS 44 H HIS 44 12.036 -0.761 1.414
352 HA HIS 44 HA HIS 44 10.844 1.896 1.201
353 HB HIS 44 2HB HIS 44 10.920 1.530 -1.334
354 HB HIS 44 QB HIS 44 10.920 1.530 -1.334
355 HD1 HIS 44 1HD HIS 44 11.927 3.644 0.782
356 HD2 HIS 44 2HD HIS 44 14.366 1.579 -1.935
357 HE1 HIS 44 1HE HIS 44 14.025 5.065 0.481
358 H ILE 45 H ILE 45 8.709 1.868 0.087
359 HA ILE 45 HA ILE 45 7.412 -0.716 0.557
360 HB ILE 45 HB ILE 45 5.581 0.370 1.290
361 HG1 ILE 45 2HG1 ILE 45 5.064 2.800 0.580
362 HG1 ILE 45 QG1 ILE 45 5.064 2.800 0.580
363 1HG2 ILE 45 3HG2 ILE 45 7.805 2.368 1.757
364 2HG2 ILE 45 1HG2 ILE 45 6.213 2.451 2.548
365 3HG2 ILE 45 2HG2 ILE 45 7.273 1.048 2.825
366 1HD1 ILE 45 2HD1 ILE 45 7.548 2.407 -0.787
367 2HD1 ILE 45 3HD1 ILE 45 6.266 2.428 -2.022
368 3HD1 ILE 45 1HD1 ILE 45 6.448 3.801 -0.903
369 H VAL 46 H VAL 46 5.727 -1.404 -0.984
370 HA VAL 46 HA VAL 46 5.639 -0.101 -3.529
371 HB VAL 46 HB VAL 46 7.431 -2.397 -3.032
372 1HG1 VAL 46 2HG1 VAL 46 5.627 -3.541 -4.230
373 2HG1 VAL 46 3HG1 VAL 46 5.672 -2.303 -5.508
374 3HG1 VAL 46 1HG1 VAL 46 7.068 -3.379 -5.262
375 1HG2 VAL 46 1HG2 VAL 46 7.927 0.034 -3.885
376 2HG2 VAL 46 2HG2 VAL 46 8.799 -1.351 -4.582
377 3HG2 VAL 46 3HG2 VAL 46 7.433 -0.626 -5.462
378 H LEU 47 H LEU 47 3.397 -0.014 -2.915
379 HA LEU 47 HA LEU 47 2.049 -2.514 -2.433
380 HB LEU 47 2HB LEU 47 0.083 -0.672 -2.705
381 HB LEU 47 QB LEU 47 0.083 -0.672 -2.705
382 HG LEU 47 HG LEU 47 -0.053 -1.610 -0.644
383 1HD1 LEU 47 3HD1 LEU 47 2.930 -1.506 -0.683
384 2HD1 LEU 47 1HD1 LEU 47 2.108 -1.623 0.893
385 3HD1 LEU 47 2HD1 LEU 47 1.829 -2.865 -0.351
386 1HD2 LEU 47 2HD2 LEU 47 1.303 1.048 -0.197
387 2HD2 LEU 47 3HD2 LEU 47 -0.426 0.636 -0.095
388 3HD2 LEU 47 1HD2 LEU 47 0.702 0.053 1.153
389 H ASN 48 H ASN 48 0.313 -3.347 -3.790
390 HA ASN 48 HA ASN 48 -0.193 -2.265 -6.297
391 HB ASN 48 2HB ASN 48 1.264 -3.336 -7.724
392 HB ASN 48 QB ASN 48 1.264 -3.336 -7.724
393 1HD2 ASN 48 1HD2 ASN 48 2.129 -4.757 -4.572
394 2HD2 ASN 48 2HD2 ASN 48 3.723 -4.090 -4.460
395 H LEU 49 H LEU 49 -2.366 -2.889 -6.210
396 HA LEU 49 HA LEU 49 -2.927 -5.632 -5.336
397 HB LEU 49 2HB LEU 49 -5.318 -4.216 -5.444
398 HB LEU 49 QB LEU 49 -5.318 -4.216 -5.444
399 HG LEU 49 HG LEU 49 -3.620 -5.341 -3.352
400 1HD1 LEU 49 3HD1 LEU 49 -3.590 -2.969 -2.621
401 2HD1 LEU 49 1HD1 LEU 49 -5.368 -2.999 -2.557
402 3HD1 LEU 49 2HD1 LEU 49 -4.421 -4.054 -1.481
403 1HD2 LEU 49 1HD2 LEU 49 -6.610 -5.007 -3.698
404 2HD2 LEU 49 2HD2 LEU 49 -5.629 -6.441 -4.090
405 3HD2 LEU 49 3HD2 LEU 49 -5.833 -5.938 -2.395
406 H GLU 50 H GLU 50 -3.515 -7.100 -6.840
407 HA GLU 50 HA GLU 50 -4.121 -6.054 -9.470
408 HB GLU 50 2HB GLU 50 -3.961 -8.965 -9.299
409 HB GLU 50 QB GLU 50 -3.961 -8.965 -9.299
410 HG GLU 50 2HG GLU 50 -1.741 -8.148 -10.670
411 HG GLU 50 QG GLU 50 -1.741 -8.148 -10.670
412 HE1 GLU 50 HE GLU 50 -4.598 -6.829 -12.008
413 H ASP 51 H ASP 51 -5.599 -7.520 -6.668
414 HA ASP 51 HA ASP 51 -7.993 -7.985 -8.269
415 HB ASP 51 2HB ASP 51 -6.976 -9.376 -5.754
416 HB ASP 51 QB ASP 51 -6.976 -9.376 -5.754
417 HD1 ASP 51 HD ASP 51 -10.454 -8.803 -5.576
418 H LEU 52 H LEU 52 -8.061 -5.479 -7.726
419 HA LEU 52 HA LEU 52 -8.966 -5.035 -4.983
420 HB LEU 52 2HB LEU 52 -8.445 -2.908 -7.038
421 HB LEU 52 QB LEU 52 -8.445 -2.908 -7.038
422 HG LEU 52 HG LEU 52 -8.130 -1.433 -5.318
423 1HD1 LEU 52 2HD1 LEU 52 -10.473 -2.571 -5.297
424 2HD1 LEU 52 3HD1 LEU 52 -9.936 -3.237 -3.736
425 3HD1 LEU 52 1HD1 LEU 52 -10.010 -1.475 -3.973
426 1HD2 LEU 52 3HD2 LEU 52 -6.415 -3.079 -4.257
427 2HD2 LEU 52 1HD2 LEU 52 -7.183 -1.831 -3.246
428 3HD2 LEU 52 2HD2 LEU 52 -7.764 -3.512 -3.180
429 H SER 53 H SER 53 -11.097 -5.524 -4.760
430 HA SER 53 HA SER 53 -12.841 -4.393 -6.805
431 HB SER 53 2HB SER 53 -13.042 -7.054 -5.348
432 HB SER 53 QB SER 53 -13.042 -7.054 -5.348
433 HG SER 53 HG SER 53 -15.151 -7.167 -5.800
434 H PHE 54 H PHE 54 -13.693 -6.109 -3.756
435 HA PHE 54 HA PHE 54 -15.577 -4.371 -2.906
436 HB PHE 54 2HB PHE 54 -13.472 -6.024 -1.392
437 HB PHE 54 QB PHE 54 -13.472 -6.024 -1.392
438 HD1 PHE 54 1HD PHE 54 -16.019 -3.552 -0.955
439 HD2 PHE 54 2HD PHE 54 -14.236 -6.951 0.854
440 HE1 PHE 54 1HE PHE 54 -16.953 -2.858 1.269
441 HE2 PHE 54 2HE PHE 54 -15.170 -6.258 3.078
442 HZ PHE 54 HZ PHE 54 -16.517 -4.220 3.260
443 H MET 55 H MET 55 -12.315 -4.470 -1.311
444 HA MET 55 HA MET 55 -11.377 -2.900 -0.059
445 HB MET 55 2HB MET 55 -11.533 -2.006 -2.922
446 HB MET 55 QB MET 55 -11.533 -2.006 -2.922
447 HG MET 55 2HG MET 55 -9.831 -0.114 -1.628
448 HG MET 55 QG MET 55 -9.831 -0.114 -1.628
449 1HE MET 55 2HE MET 55 -12.976 -1.368 -2.813
450 2HE MET 55 3HE MET 55 -13.958 0.086 -3.112
451 3HE MET 55 1HE MET 55 -13.069 -0.680 -4.452
452 H ASP 56 H ASP 56 -12.979 -2.359 1.525
453 HA ASP 56 HA ASP 56 -14.751 -0.192 0.841
454 HB ASP 56 2HB ASP 56 -14.548 -1.417 3.598
455 HB ASP 56 QB ASP 56 -14.548 -1.417 3.598
456 HD1 ASP 56 HD ASP 56 -16.673 -0.709 0.990
457 H SER 57 H SER 57 -14.870 0.727 3.716
458 HA SER 57 HA SER 57 -12.519 2.393 3.600
459 HB SER 57 2HB SER 57 -14.372 3.755 3.967
460 HB SER 57 QB SER 57 -14.372 3.755 3.967
461 HG SER 57 HG SER 57 -16.222 3.139 4.984
462 H SER 58 H SER 58 -12.680 -0.579 4.516
463 HA SER 58 HA SER 58 -12.121 -0.391 7.303
464 HB SER 58 2HB SER 58 -12.356 -2.672 7.310
465 HB SER 58 QB SER 58 -12.356 -2.672 7.310
466 HG SER 58 HG SER 58 -14.057 -2.956 6.056
467 H GLY 59 H GLY 59 -10.254 -1.590 4.408
468 1HA GLY 59 1HA GLY 59 -7.756 -1.503 5.784
469 2HA GLY 59 2HA GLY 59 -8.028 -1.779 4.075
470 H LEU 60 H LEU 60 -9.765 0.882 4.206
471 HA LEU 60 HA LEU 60 -7.930 2.541 3.032
472 HB LEU 60 2HB LEU 60 -10.049 3.892 4.554
473 HB LEU 60 QB LEU 60 -10.049 3.892 4.554
474 HG LEU 60 HG LEU 60 -10.827 4.492 2.225
475 1HD1 LEU 60 1HD1 LEU 60 -9.321 5.883 3.726
476 2HD1 LEU 60 2HD1 LEU 60 -7.962 5.303 2.734
477 3HD1 LEU 60 3HD1 LEU 60 -9.272 6.248 1.985
478 1HD2 LEU 60 3HD2 LEU 60 -9.681 2.487 1.168
479 2HD2 LEU 60 1HD2 LEU 60 -9.502 4.045 0.326
480 3HD2 LEU 60 2HD2 LEU 60 -8.162 3.405 1.307
481 H GLY 61 H GLY 61 -8.858 2.266 6.507
482 1HA GLY 61 1HA GLY 61 -7.073 4.388 7.291
483 2HA GLY 61 2HA GLY 61 -8.018 3.338 8.328
484 H VAL 62 H VAL 62 -7.032 0.812 7.052
485 HA VAL 62 HA VAL 62 -4.779 0.438 8.699
486 HB VAL 62 HB VAL 62 -6.660 -1.121 7.399
487 1HG1 VAL 62 2HG1 VAL 62 -5.024 -0.984 5.407
488 2HG1 VAL 62 3HG1 VAL 62 -3.977 -2.054 6.371
489 3HG1 VAL 62 1HG1 VAL 62 -5.608 -2.590 5.901
490 1HG2 VAL 62 2HG2 VAL 62 -5.161 -1.350 9.587
491 2HG2 VAL 62 3HG2 VAL 62 -5.956 -2.757 8.842
492 3HG2 VAL 62 1HG2 VAL 62 -4.231 -2.445 8.536
493 H ILE 63 H ILE 63 -5.242 1.589 5.413
494 HA ILE 63 HA ILE 63 -2.474 1.061 4.727
495 HB ILE 63 HB ILE 63 -4.947 1.850 3.300
496 HG1 ILE 63 2HG1 ILE 63 -3.035 -0.310 3.328
497 HG1 ILE 63 QG1 ILE 63 -3.035 -0.310 3.328
498 1HG2 ILE 63 2HG2 ILE 63 -2.193 2.691 2.359
499 2HG2 ILE 63 3HG2 ILE 63 -3.649 2.642 1.336
500 3HG2 ILE 63 1HG2 ILE 63 -3.577 3.747 2.730
501 1HD1 ILE 63 1HD1 ILE 63 -5.757 0.291 2.140
502 2HD1 ILE 63 2HD1 ILE 63 -4.896 -1.202 1.696
503 3HD1 ILE 63 3HD1 ILE 63 -5.320 -0.891 3.396
504 H LEU 64 H LEU 64 -4.652 3.716 5.711
505 HA LEU 64 HA LEU 64 -2.828 5.785 5.123
506 HB LEU 64 2HB LEU 64 -4.798 6.156 7.295
507 HB LEU 64 QB LEU 64 -4.798 6.156 7.295
508 HG LEU 64 HG LEU 64 -3.603 8.013 5.950
509 1HD1 LEU 64 2HD1 LEU 64 -5.456 6.876 3.887
510 2HD1 LEU 64 3HD1 LEU 64 -5.147 8.628 3.921
511 3HD1 LEU 64 1HD1 LEU 64 -3.793 7.489 3.720
512 1HD2 LEU 64 2HD2 LEU 64 -5.803 8.026 7.444
513 2HD2 LEU 64 3HD2 LEU 64 -5.253 9.464 6.549
514 3HD2 LEU 64 1HD2 LEU 64 -6.553 8.446 5.885
515 H GLY 65 H GLY 65 -3.516 3.787 8.042
516 1HA GLY 65 1HA GLY 65 -1.926 5.137 9.872
517 2HA GLY 65 2HA GLY 65 -2.309 3.428 9.902
518 H ARG 66 H ARG 66 -1.029 3.228 7.050
519 HA ARG 66 HA ARG 66 1.600 2.760 8.106
520 HB ARG 66 2HB ARG 66 1.423 2.111 5.299
521 HB ARG 66 QB ARG 66 1.423 2.111 5.299
522 HG ARG 66 2HG ARG 66 0.968 0.009 7.390
523 HG ARG 66 QG ARG 66 0.968 0.009 7.390
524 HD ARG 66 2HD ARG 66 2.916 -1.024 6.172
525 HD ARG 66 QD ARG 66 2.916 -1.024 6.172
526 HE ARG 66 HE ARG 66 0.334 -0.532 5.025
527 1HH1 ARG 66 1HH2 ARG 66 2.986 -2.583 2.745
528 2HH1 ARG 66 2HH2 ARG 66 3.565 -1.632 4.071
529 HH2 ARG 66 1HH ARG 66 0.633 -2.660 2.295
530 H TYR 67 H TYR 67 -0.038 4.559 5.417
531 HA TYR 67 HA TYR 67 2.009 5.606 4.049
532 HB TYR 67 2HB TYR 67 -0.140 7.464 5.137
533 HB TYR 67 QB TYR 67 -0.140 7.464 5.137
534 HD1 TYR 67 1HD TYR 67 1.006 9.251 3.907
535 HD2 TYR 67 2HD TYR 67 -0.367 5.725 1.910
536 HE1 TYR 67 1HE TYR 67 1.284 10.407 1.660
537 HE2 TYR 67 2HE TYR 67 -0.085 6.893 -0.330
538 HH TYR 67 HH TYR 67 1.427 10.054 -0.537
539 H LYS 68 H LYS 68 1.201 6.287 7.428
540 HA LYS 68 HA LYS 68 3.248 8.390 7.429
541 HB LYS 68 2HB LYS 68 2.101 9.494 9.078
542 HB LYS 68 QB LYS 68 2.101 9.494 9.078
543 HG LYS 68 2HG LYS 68 -0.443 9.117 8.670
544 HG LYS 68 QG LYS 68 -0.443 9.117 8.670
545 HD LYS 68 2HD LYS 68 -0.237 9.938 6.251
546 HD LYS 68 QD LYS 68 -0.237 9.938 6.251
547 HE LYS 68 2HE LYS 68 1.348 11.203 8.521
548 HE LYS 68 QE LYS 68 1.348 11.203 8.521
549 1HZ LYS 68 1HZ LYS 68 1.855 12.983 7.179
550 2HZ LYS 68 2HZ LYS 68 1.962 11.827 6.038
551 H GLN 69 H GLN 69 2.315 5.186 8.535
552 HA GLN 69 HA GLN 69 4.476 5.211 10.462
553 HB GLN 69 2HB GLN 69 2.530 2.941 9.881
554 HB GLN 69 QB GLN 69 2.530 2.941 9.881
555 HG GLN 69 2HG GLN 69 4.735 2.744 11.351
556 HG GLN 69 QG GLN 69 4.735 2.744 11.351
557 1HE2 GLN 69 2HE2 GLN 69 2.516 4.622 14.319
558 2HE2 GLN 69 1HE2 GLN 69 1.764 3.666 13.087
559 H ILE 70 H ILE 70 3.856 4.457 7.176
560 HA ILE 70 HA ILE 70 5.922 2.392 7.123
561 HB ILE 70 HB ILE 70 3.695 2.044 6.033
562 HG1 ILE 70 2HG1 ILE 70 6.257 1.865 4.437
563 HG1 ILE 70 QG1 ILE 70 6.257 1.865 4.437
564 1HG2 ILE 70 2HG2 ILE 70 4.145 4.588 4.978
565 2HG2 ILE 70 3HG2 ILE 70 4.350 3.480 3.600
566 3HG2 ILE 70 1HG2 ILE 70 2.842 3.455 4.545
567 1HD1 ILE 70 2HD1 ILE 70 5.155 0.418 6.638
568 2HD1 ILE 70 3HD1 ILE 70 4.980 -0.619 5.202
569 3HD1 ILE 70 1HD1 ILE 70 6.585 -0.006 5.665
570 H LYS 71 H LYS 71 5.202 5.760 6.286
571 HA LYS 71 HA LYS 71 7.483 6.021 4.578
572 HB LYS 71 2HB LYS 71 6.641 8.567 5.400
573 HB LYS 71 QB LYS 71 6.641 8.567 5.400
574 HG LYS 71 2HG LYS 71 5.155 7.614 3.098
575 HG LYS 71 QG LYS 71 5.155 7.614 3.098
576 HD LYS 71 2HD LYS 71 7.802 9.046 2.893
577 HD LYS 71 QD LYS 71 7.802 9.046 2.893
578 HE LYS 71 2HE LYS 71 6.481 8.814 0.852
579 HE LYS 71 QE LYS 71 6.481 8.814 0.852
580 1HZ LYS 71 1HZ LYS 71 4.282 8.510 1.387
581 2HZ LYS 71 2HZ LYS 71 4.281 9.569 2.625
582 H GLN 72 H GLN 72 6.825 6.095 8.018
583 HA GLN 72 HA GLN 72 9.056 7.716 8.652
584 HB GLN 72 2HB GLN 72 6.958 6.200 10.121
585 HB GLN 72 QB GLN 72 6.958 6.200 10.121
586 HG GLN 72 2HG GLN 72 9.785 6.246 11.016
587 HG GLN 72 QG GLN 72 9.785 6.246 11.016
588 1HE2 GLN 72 2HE2 GLN 72 8.204 6.967 14.551
589 2HE2 GLN 72 1HE2 GLN 72 8.212 5.485 13.655
590 H ILE 73 H ILE 73 8.433 4.254 8.144
591 HA ILE 73 HA ILE 73 11.296 3.791 8.535
592 HB ILE 73 HB ILE 73 9.387 1.662 9.359
593 HG1 ILE 73 2HG1 ILE 73 9.801 4.239 10.831
594 HG1 ILE 73 QG1 ILE 73 9.801 4.239 10.831
595 1HG2 ILE 73 3HG2 ILE 73 12.226 2.417 9.790
596 2HG2 ILE 73 1HG2 ILE 73 11.386 1.643 11.156
597 3HG2 ILE 73 2HG2 ILE 73 11.473 0.817 9.582
598 1HD1 ILE 73 3HD1 ILE 73 7.569 2.309 10.188
599 2HD1 ILE 73 1HD1 ILE 73 7.440 3.328 11.643
600 3HD1 ILE 73 2HD1 ILE 73 7.604 4.082 10.039
601 H GLY 74 H GLY 74 9.734 4.407 6.137
602 1HA GLY 74 1HA GLY 74 10.351 1.959 4.650
603 2HA GLY 74 2HA GLY 74 8.722 2.595 4.545
604 H GLY 75 H GLY 75 11.140 5.031 5.113
605 1HA GLY 75 1HA GLY 75 12.065 6.618 3.816
606 2HA GLY 75 2HA GLY 75 12.034 5.486 2.478
607 H GLU 76 H GLU 76 9.589 5.030 1.667
608 HA GLU 76 HA GLU 76 7.981 7.393 1.855
609 HB GLU 76 2HB GLU 76 8.145 8.147 -0.338
610 HB GLU 76 QB GLU 76 8.145 8.147 -0.338
611 HG GLU 76 2HG GLU 76 10.634 7.747 -1.113
612 HG GLU 76 QG GLU 76 10.634 7.747 -1.113
613 HE2 GLU 76 HE GLU 76 12.072 9.906 0.748
614 H MET 77 H MET 77 5.785 7.043 1.021
615 HA MET 77 HA MET 77 5.237 4.190 0.812
616 HB MET 77 2HB MET 77 3.599 6.600 1.749
617 HB MET 77 QB MET 77 3.599 6.600 1.749
618 HG MET 77 2HG MET 77 2.177 5.007 0.369
619 HG MET 77 QG MET 77 2.177 5.007 0.369
620 1HE MET 77 1HE MET 77 0.956 3.562 3.165
621 2HE MET 77 2HE MET 77 0.431 2.359 1.961
622 3HE MET 77 3HE MET 77 1.485 1.868 3.308
623 H VAL 78 H VAL 78 4.624 3.403 -1.155
624 HA VAL 78 HA VAL 78 3.276 5.273 -2.971
625 HB VAL 78 HB VAL 78 5.434 3.270 -3.667
626 1HG1 VAL 78 2HG1 VAL 78 3.357 4.499 -5.262
627 2HG1 VAL 78 3HG1 VAL 78 4.962 5.028 -5.820
628 3HG1 VAL 78 1HG1 VAL 78 4.579 3.292 -5.728
629 1HG2 VAL 78 2HG2 VAL 78 5.469 6.173 -3.071
630 2HG2 VAL 78 3HG2 VAL 78 6.762 4.957 -2.945
631 3HG2 VAL 78 1HG2 VAL 78 6.364 5.674 -4.525
632 H VAL 79 H VAL 79 1.705 4.302 -4.381
633 HA VAL 79 HA VAL 79 1.156 1.485 -3.939
634 HB VAL 79 HB VAL 79 -0.117 2.369 -2.180
635 1HG1 VAL 79 3HG1 VAL 79 -0.217 4.735 -3.804
636 2HG1 VAL 79 1HG1 VAL 79 -1.872 4.284 -3.330
637 3HG1 VAL 79 2HG1 VAL 79 -0.625 4.536 -2.084
638 1HG2 VAL 79 3HG2 VAL 79 -1.293 0.966 -4.143
639 2HG2 VAL 79 1HG2 VAL 79 -2.164 1.499 -2.684
640 3HG2 VAL 79 2HG2 VAL 79 -2.311 2.426 -4.197
641 H CYS 80 H CYS 80 0.243 0.507 -5.745
642 HA CYS 80 HA CYS 80 -0.487 2.339 -7.910
643 HB CYS 80 2HB CYS 80 1.737 1.507 -8.414
644 HB CYS 80 QB CYS 80 1.737 1.507 -8.414
645 HG CYS 80 HG CYS 80 2.283 -1.044 -8.935
646 H ALA 81 H ALA 81 -1.436 0.521 -9.761
647 HA ALA 81 HA ALA 81 -3.119 -0.822 -10.272
648 1HB ALA 81 3HB ALA 81 -1.848 -2.090 -8.111
649 2HB ALA 81 1HB ALA 81 -3.581 -2.134 -7.708
650 3HB ALA 81 2HB ALA 81 -3.007 -2.822 -9.246
651 H ILE 82 H ILE 82 -4.363 1.201 -10.419
652 HA ILE 82 HA ILE 82 -6.270 1.457 -8.198
653 HB ILE 82 HB ILE 82 -4.750 3.386 -8.602
654 HG1 ILE 82 2HG1 ILE 82 -7.666 4.018 -9.125
655 HG1 ILE 82 QG1 ILE 82 -7.666 4.018 -9.125
656 1HG2 ILE 82 2HG2 ILE 82 -6.046 3.267 -11.306
657 2HG2 ILE 82 3HG2 ILE 82 -5.543 4.834 -10.627
658 3HG2 ILE 82 1HG2 ILE 82 -4.344 3.541 -10.866
659 1HD1 ILE 82 1HD1 ILE 82 -6.283 2.781 -6.805
660 2HD1 ILE 82 2HD1 ILE 82 -7.260 4.215 -6.407
661 3HD1 ILE 82 3HD1 ILE 82 -8.016 2.817 -7.210
662 H SER 83 H SER 83 -8.477 2.375 -9.029
663 HA SER 83 HA SER 83 -9.085 1.494 -11.687
664 HB SER 83 2HB SER 83 -11.138 0.332 -10.056
665 HB SER 83 QB SER 83 -11.138 0.332 -10.056
666 HG SER 83 HG SER 83 -9.113 -1.290 -11.227
667 HA PRO 84 HA PRO 84 -12.099 4.600 -11.226
668 HB PRO 84 2HB PRO 84 -12.660 4.555 -13.459
669 HB PRO 84 QB PRO 84 -12.660 4.555 -13.459
670 HG PRO 84 2HG PRO 84 -12.245 2.547 -14.516
671 HG PRO 84 QG PRO 84 -12.245 2.547 -14.516
672 HD PRO 84 2HD PRO 84 -10.599 1.702 -13.153
673 HD PRO 84 QD PRO 84 -10.599 1.702 -13.153
674 H ALA 85 H ALA 85 -12.548 1.672 -9.874
675 HA ALA 85 HA ALA 85 -14.906 2.700 -8.462
676 1HB ALA 85 3HB ALA 85 -14.447 -0.038 -9.681
677 2HB ALA 85 1HB ALA 85 -15.600 0.218 -8.350
678 3HB ALA 85 2HB ALA 85 -15.832 1.059 -9.901
679 H VAL 86 H VAL 86 -12.060 2.963 -7.833
680 HA VAL 86 HA VAL 86 -12.148 1.624 -5.263
681 HB VAL 86 HB VAL 86 -10.150 1.078 -7.421
682 1HG1 VAL 86 1HG1 VAL 86 -8.887 2.115 -5.526
683 2HG1 VAL 86 2HG1 VAL 86 -9.502 0.825 -4.466
684 3HG1 VAL 86 3HG1 VAL 86 -8.449 0.419 -5.842
685 1HG2 VAL 86 1HG2 VAL 86 -11.992 -0.520 -6.843
686 2HG2 VAL 86 2HG2 VAL 86 -10.356 -1.199 -6.666
687 3HG2 VAL 86 3HG2 VAL 86 -11.270 -0.692 -5.225
688 H LYS 87 H LYS 87 -10.702 3.945 -7.578
689 HA LYS 87 HA LYS 87 -9.279 5.320 -5.502
690 HB LYS 87 2HB LYS 87 -9.018 5.103 -8.237
691 HB LYS 87 QB LYS 87 -9.018 5.103 -8.237
692 HG LYS 87 2HG LYS 87 -9.190 7.492 -9.017
693 HG LYS 87 QG LYS 87 -9.190 7.492 -9.017
694 HD LYS 87 2HD LYS 87 -11.675 5.962 -8.184
695 HD LYS 87 QD LYS 87 -11.675 5.962 -8.184
696 HE LYS 87 2HE LYS 87 -11.477 8.720 -9.422
697 HE LYS 87 QE LYS 87 -11.477 8.720 -9.422
698 1HZ LYS 87 1HZ LYS 87 -13.209 6.551 -10.267
699 2HZ LYS 87 2HZ LYS 87 -13.986 7.944 -9.946
700 H ARG 88 H ARG 88 -12.527 5.022 -6.263
701 HA ARG 88 HA ARG 88 -13.221 7.755 -6.001
702 HB ARG 88 2HB ARG 88 -14.921 6.692 -7.158
703 HB ARG 88 QB ARG 88 -14.921 6.692 -7.158
704 HG ARG 88 2HG ARG 88 -13.913 4.457 -7.123
705 HG ARG 88 QG ARG 88 -13.913 4.457 -7.123
706 HD ARG 88 2HD ARG 88 -14.552 4.668 -4.209
707 HD ARG 88 QD ARG 88 -14.552 4.668 -4.209
708 HE ARG 88 HE ARG 88 -14.508 1.888 -4.997
709 1HH1 ARG 88 2HH2 ARG 88 -16.699 4.656 -4.696
710 2HH1 ARG 88 1HH2 ARG 88 -18.110 3.673 -4.479
711 HH2 ARG 88 1HH ARG 88 -17.891 1.286 -4.491
712 H LEU 89 H LEU 89 -12.372 5.167 -3.857
713 HA LEU 89 HA LEU 89 -14.003 5.896 -1.659
714 HB LEU 89 2HB LEU 89 -11.754 4.601 -0.668
715 HB LEU 89 QB LEU 89 -11.754 4.601 -0.668
716 HG LEU 89 HG LEU 89 -14.424 4.048 -0.719
717 1HD1 LEU 89 3HD1 LEU 89 -13.274 2.612 -2.950
718 2HD1 LEU 89 1HD1 LEU 89 -13.928 1.486 -1.737
719 3HD1 LEU 89 2HD1 LEU 89 -14.971 2.749 -2.434
720 1HD2 LEU 89 3HD2 LEU 89 -12.112 2.264 0.076
721 2HD2 LEU 89 1HD2 LEU 89 -12.998 3.428 1.091
722 3HD2 LEU 89 2HD2 LEU 89 -13.809 1.953 0.513
723 H PHE 90 H PHE 90 -10.632 6.676 -2.697
724 HA PHE 90 HA PHE 90 -10.269 8.372 -0.407
725 HB PHE 90 2HB PHE 90 -8.043 8.677 -1.458
726 HB PHE 90 QB PHE 90 -8.043 8.677 -1.458
727 HD1 PHE 90 2HD PHE 90 -9.011 5.747 -3.425
728 HD2 PHE 90 1HD PHE 90 -7.492 7.097 0.300
729 HE1 PHE 90 2HE PHE 90 -8.289 3.408 -2.872
730 HE2 PHE 90 1HE PHE 90 -6.770 4.758 0.853
731 HZ PHE 90 HZ PHE 90 -7.177 2.941 -0.740
732 H ASP 91 H ASP 91 -11.485 8.644 -3.690
733 HA ASP 91 HA ASP 91 -10.831 11.307 -4.129
734 HB ASP 91 2HB ASP 91 -13.430 10.458 -5.247
735 HB ASP 91 QB ASP 91 -13.430 10.458 -5.247
736 HD2 ASP 91 HD ASP 91 -12.288 12.636 -7.495
737 H MET 92 H MET 92 -13.492 9.611 -2.426
738 HA MET 92 HA MET 92 -15.018 12.007 -2.129
739 HB MET 92 2HB MET 92 -15.283 9.250 -0.804
740 HB MET 92 QB MET 92 -15.283 9.250 -0.804
741 HG MET 92 2HG MET 92 -17.661 10.985 -1.344
742 HG MET 92 QG MET 92 -17.661 10.985 -1.344
743 1HE MET 92 1HE MET 92 -15.452 9.475 1.524
744 2HE MET 92 2HE MET 92 -16.587 10.612 2.288
745 3HE MET 92 3HE MET 92 -16.720 8.868 2.616
746 H SER 93 H SER 93 -12.638 10.115 -0.280
747 HA SER 93 HA SER 93 -13.228 11.240 2.206
748 HB SER 93 2HB SER 93 -10.517 10.196 1.292
749 HB SER 93 QB SER 93 -10.517 10.196 1.292
750 HG SER 93 HG SER 93 -10.508 10.985 3.442
751 H GLY 94 H GLY 94 -10.580 11.917 -0.204
752 1HA GLY 94 1HA GLY 94 -10.018 14.126 -0.825
753 2HA GLY 94 2HA GLY 94 -10.558 14.708 0.737
754 H LEU 95 H LEU 95 -9.098 11.971 1.705
755 HA LEU 95 HA LEU 95 -6.620 13.372 2.260
756 HB LEU 95 2HB LEU 95 -7.315 10.647 3.286
757 HB LEU 95 QB LEU 95 -7.315 10.647 3.286
758 HG LEU 95 HG LEU 95 -5.228 11.438 4.117
759 1HD1 LEU 95 3HD1 LEU 95 -6.652 14.065 4.539
760 2HD1 LEU 95 1HD1 LEU 95 -5.129 13.664 5.367
761 3HD1 LEU 95 2HD1 LEU 95 -5.187 13.724 3.589
762 1HD2 LEU 95 3HD2 LEU 95 -6.817 10.413 5.748
763 2HD2 LEU 95 1HD2 LEU 95 -5.601 11.485 6.483
764 3HD2 LEU 95 2HD2 LEU 95 -7.274 12.054 6.263
765 H PHE 96 H PHE 96 -7.591 12.000 -0.424
766 HA PHE 96 HA PHE 96 -6.035 9.796 -0.927
767 HB PHE 96 2HB PHE 96 -6.194 11.851 -3.091
768 HB PHE 96 QB PHE 96 -6.194 11.851 -3.091
769 HD1 PHE 96 1HD PHE 96 -5.643 8.702 -2.292
770 HD2 PHE 96 2HD PHE 96 -8.495 10.873 -4.564
771 HE1 PHE 96 1HE PHE 96 -6.085 6.663 -3.688
772 HE2 PHE 96 2HE PHE 96 -8.938 8.834 -5.958
773 HZ PHE 96 HZ PHE 96 -7.726 6.753 -5.504
774 H LYS 97 H LYS 97 -5.086 13.158 -0.491
775 HA LYS 97 HA LYS 97 -2.708 13.097 -1.974
776 HB LYS 97 2HB LYS 97 -2.256 15.172 -1.012
777 HB LYS 97 QB LYS 97 -2.256 15.172 -1.012
778 HG LYS 97 2HG LYS 97 -5.192 15.205 -0.365
779 HG LYS 97 QG LYS 97 -5.192 15.205 -0.365
780 HD LYS 97 2HD LYS 97 -3.483 17.207 -0.775
781 HD LYS 97 QD LYS 97 -3.483 17.207 -0.775
782 HE LYS 97 2HE LYS 97 -3.803 17.932 -3.244
783 HE LYS 97 QE LYS 97 -3.803 17.932 -3.244
784 1HZ LYS 97 1HZ LYS 97 -2.005 16.046 -3.821
785 2HZ LYS 97 2HZ LYS 97 -1.632 17.362 -2.938
786 H ILE 98 H ILE 98 -3.654 11.752 1.142
787 HA ILE 98 HA ILE 98 -0.846 11.236 1.773
788 HB ILE 98 HB ILE 98 -1.405 11.457 3.893
789 HG1 ILE 98 2HG1 ILE 98 -3.416 9.374 3.203
790 HG1 ILE 98 QG1 ILE 98 -3.416 9.374 3.203
791 1HG2 ILE 98 3HG2 ILE 98 -2.706 13.307 2.993
792 2HG2 ILE 98 1HG2 ILE 98 -4.123 12.246 2.810
793 3HG2 ILE 98 2HG2 ILE 98 -3.498 12.622 4.432
794 1HD1 ILE 98 2HD1 ILE 98 -0.884 9.516 4.448
795 2HD1 ILE 98 3HD1 ILE 98 -2.035 9.227 5.775
796 3HD1 ILE 98 1HD1 ILE 98 -1.967 8.104 4.395
797 H ILE 99 H ILE 99 -2.849 9.947 -0.319
798 HA ILE 99 HA ILE 99 -2.198 7.202 0.497
799 HB ILE 99 HB ILE 99 -4.754 8.341 -0.571
800 HG1 ILE 99 2HG1 ILE 99 -5.765 7.150 1.209
801 HG1 ILE 99 QG1 ILE 99 -5.765 7.150 1.209
802 1HG2 ILE 99 2HG2 ILE 99 -4.034 6.590 -2.170
803 2HG2 ILE 99 3HG2 ILE 99 -3.950 5.431 -0.821
804 3HG2 ILE 99 1HG2 ILE 99 -5.510 6.159 -1.272
805 1HD1 ILE 99 2HD1 ILE 99 -3.106 5.695 1.343
806 2HD1 ILE 99 3HD1 ILE 99 -4.183 5.763 2.759
807 3HD1 ILE 99 1HD1 ILE 99 -4.747 5.011 1.247
808 H ARG 100 H ARG 100 -2.189 9.776 -1.885
809 HA ARG 100 HA ARG 100 -1.831 9.652 -4.105
810 HB ARG 100 2HB ARG 100 0.838 8.503 -3.213
811 HB ARG 100 QB ARG 100 0.838 8.503 -3.213
812 HG ARG 100 2HG ARG 100 1.472 10.731 -4.525
813 HG ARG 100 QG ARG 100 1.472 10.731 -4.525
814 HD ARG 100 2HD ARG 100 1.052 7.973 -5.312
815 HD ARG 100 QD ARG 100 1.052 7.973 -5.312
816 HE ARG 100 HE ARG 100 -0.223 8.333 -7.231
817 1HH1 ARG 100 2HH2 ARG 100 1.890 11.139 -6.764
818 2HH1 ARG 100 1HH2 ARG 100 1.412 11.902 -8.243
819 HH2 ARG 100 1HH ARG 100 -0.202 10.826 -9.651
820 H PHE 101 H PHE 101 -3.222 7.904 -4.881
821 HA PHE 101 HA PHE 101 -1.891 5.311 -5.114
822 HB PHE 101 2HB PHE 101 -4.688 5.653 -6.072
823 HB PHE 101 QB PHE 101 -4.688 5.653 -6.072
824 HD1 PHE 101 1HD PHE 101 -4.403 3.299 -6.633
825 HD2 PHE 101 2HD PHE 101 -3.975 4.650 -2.633
826 HE1 PHE 101 1HE PHE 101 -4.570 0.932 -5.816
827 HE2 PHE 101 2HE PHE 101 -4.143 2.284 -1.815
828 HZ PHE 101 HZ PHE 101 -4.437 0.452 -3.417
829 H GLU 102 H GLU 102 -2.967 4.156 -7.288
830 HA GLU 102 HA GLU 102 -3.026 4.068 -9.464
831 HB GLU 102 2HB GLU 102 -3.775 5.862 -10.756
832 HB GLU 102 QB GLU 102 -3.775 5.862 -10.756
833 HG GLU 102 2HG GLU 102 -4.690 5.816 -8.057
834 HG GLU 102 QG GLU 102 -4.690 5.816 -8.057
835 HE2 GLU 102 HE GLU 102 -5.425 7.383 -6.805
836 H GLN 103 H GLN 103 -1.398 3.606 -10.949
837 HA GLN 103 HA GLN 103 0.879 5.278 -11.126
838 HB GLN 103 2HB GLN 103 2.551 3.620 -10.371
839 HB GLN 103 QB GLN 103 2.551 3.620 -10.371
840 HG GLN 103 2HG GLN 103 1.961 3.603 -7.906
841 HG GLN 103 QG GLN 103 1.961 3.603 -7.906
842 1HE2 GLN 103 2HE2 GLN 103 2.834 6.949 -7.397
843 2HE2 GLN 103 1HE2 GLN 103 2.455 5.407 -6.702
844 H SER 104 H SER 104 -0.357 1.899 -11.632
845 HA SER 104 HA SER 104 -0.284 0.568 -13.353
846 HB SER 104 2HB SER 104 -0.808 3.237 -14.689
847 HB SER 104 QB SER 104 -0.808 3.237 -14.689
848 HG SER 104 HG SER 104 -0.180 2.231 -16.508
849 H GLU 105 H GLU 105 1.169 3.285 -15.228
850 HA GLU 105 HA GLU 105 3.267 1.585 -16.060
851 HB GLU 105 2HB GLU 105 2.852 4.580 -16.467
852 HB GLU 105 QB GLU 105 2.852 4.580 -16.467
853 HG GLU 105 2HG GLU 105 4.901 2.616 -17.436
854 HG GLU 105 QG GLU 105 4.901 2.616 -17.436
855 HE2 GLU 105 HE GLU 105 5.693 3.610 -20.206
856 H GLN 106 H GLN 106 2.765 3.895 -13.460
857 HA GLN 106 HA GLN 106 5.505 4.455 -13.066
858 HB GLN 106 2HB GLN 106 2.934 4.994 -11.606
859 HB GLN 106 QB GLN 106 2.934 4.994 -11.606
860 HG GLN 106 2HG GLN 106 5.701 4.964 -10.369
861 HG GLN 106 QG GLN 106 5.701 4.964 -10.369
862 1HE2 GLN 106 2HE2 GLN 106 4.780 7.468 -7.862
863 2HE2 GLN 106 1HE2 GLN 106 5.264 5.806 -7.947
864 H GLN 107 H GLN 107 3.709 1.637 -12.680
865 HA GLN 107 HA GLN 107 4.094 0.571 -10.323
866 HB GLN 107 2HB GLN 107 3.284 -0.556 -12.471
867 HB GLN 107 QB GLN 107 3.284 -0.556 -12.471
868 HG GLN 107 2HG GLN 107 6.219 -1.363 -12.678
869 HG GLN 107 QG GLN 107 6.219 -1.363 -12.678
870 1HE2 GLN 107 2HE2 GLN 107 5.450 -3.455 -15.434
871 2HE2 GLN 107 1HE2 GLN 107 6.645 -2.423 -14.721
872 H ALA 108 H ALA 108 6.681 1.492 -12.569
873 HA ALA 108 HA ALA 108 8.716 0.068 -11.139
874 1HB ALA 108 3HB ALA 108 8.432 1.145 -13.675
875 2HB ALA 108 1HB ALA 108 9.534 2.297 -12.884
876 3HB ALA 108 2HB ALA 108 9.957 0.570 -12.963
877 H LEU 109 H LEU 109 7.888 3.580 -11.626
878 HA LEU 109 HA LEU 109 9.717 4.515 -9.748
879 HB LEU 109 2HB LEU 109 7.246 6.070 -10.072
880 HB LEU 109 QB LEU 109 7.246 6.070 -10.072
881 HG LEU 109 HG LEU 109 10.068 6.690 -10.980
882 1HD1 LEU 109 2HD1 LEU 109 7.500 8.192 -10.935
883 2HD1 LEU 109 3HD1 LEU 109 8.979 9.083 -10.503
884 3HD1 LEU 109 1HD1 LEU 109 8.861 8.266 -12.080
885 1HD2 LEU 109 2HD2 LEU 109 9.887 6.195 -8.521
886 2HD2 LEU 109 3HD2 LEU 109 10.455 7.832 -8.928
887 3HD2 LEU 109 1HD2 LEU 109 8.776 7.579 -8.393
888 H LEU 110 H LEU 110 6.836 2.673 -9.345
889 HA LEU 110 HA LEU 110 5.934 3.730 -6.910
890 HB LEU 110 2HB LEU 110 5.612 1.130 -8.364
891 HB LEU 110 QB LEU 110 5.612 1.130 -8.364
892 HG LEU 110 HG LEU 110 5.288 1.313 -5.559
893 1HD1 LEU 110 2HD1 LEU 110 2.977 2.346 -6.789
894 2HD1 LEU 110 3HD1 LEU 110 2.571 0.687 -6.290
895 3HD1 LEU 110 1HD1 LEU 110 3.188 1.851 -5.092
896 1HD2 LEU 110 2HD2 LEU 110 4.303 -0.688 -7.609
897 2HD2 LEU 110 3HD2 LEU 110 5.829 -0.727 -6.693
898 3HD2 LEU 110 1HD2 LEU 110 4.279 -0.953 -5.849
899 H THR 111 H THR 111 8.673 1.705 -7.803
900 HA THR 111 HA THR 111 9.111 0.405 -5.382
901 HB THR 111 HB THR 111 10.675 1.198 -7.825
902 HG1 THR 111 1HG THR 111 10.993 -1.180 -7.587
903 1HG2 THR 111 1HG2 THR 111 11.904 0.309 -5.170
904 2HG2 THR 111 2HG2 THR 111 12.681 -0.013 -6.739
905 3HG2 THR 111 3HG2 THR 111 12.421 1.663 -6.203
906 H LEU 112 H LEU 112 8.866 3.714 -5.878
907 HA LEU 112 HA LEU 112 9.028 5.209 -4.152
908 HB LEU 112 2HB LEU 112 11.270 3.507 -3.054
909 HB LEU 112 QB LEU 112 11.270 3.507 -3.054
910 HG LEU 112 HG LEU 112 9.910 5.978 -2.061
911 1HD1 LEU 112 1HD1 LEU 112 10.329 3.519 -0.457
912 2HD1 LEU 112 2HD1 LEU 112 10.874 5.047 0.275
913 3HD1 LEU 112 3HD1 LEU 112 9.181 4.861 -0.238
914 1HD2 LEU 112 1HD2 LEU 112 12.608 5.042 -2.563
915 2HD2 LEU 112 2HD2 LEU 112 12.000 6.694 -2.296
916 3HD2 LEU 112 3HD2 LEU 112 12.434 5.669 -0.906
917 H GLY 113 H GLY 113 10.272 4.861 -6.857
918 1HA GLY 113 1HA GLY 113 11.844 5.808 -8.170
919 2HA GLY 113 2HA GLY 113 11.617 7.202 -7.131
920 H VAL 114 H VAL 114 12.871 4.096 -5.891
921 HA VAL 114 HA VAL 114 15.539 5.313 -5.759
922 HB VAL 114 HB VAL 114 13.898 4.002 -3.607
923 1HG1 VAL 114 2HG1 VAL 114 16.844 3.894 -3.993
924 2HG1 VAL 114 3HG1 VAL 114 16.275 4.327 -2.362
925 3HG1 VAL 114 1HG1 VAL 114 15.757 2.795 -3.108
926 1HG2 VAL 114 1HG2 VAL 114 13.908 6.509 -3.957
927 2HG2 VAL 114 2HG2 VAL 114 14.390 5.958 -2.334
928 3HG2 VAL 114 3HG2 VAL 114 15.628 6.488 -3.499
929 H ALA 115 H ALA 115 15.529 3.991 -7.885
930 HA ALA 115 HA ALA 115 17.138 1.824 -7.636
931 1HB ALA 115 1HB ALA 115 14.216 1.104 -7.447
932 2HB ALA 115 2HB ALA 115 15.342 0.005 -8.279
933 3HB ALA 115 3HB ALA 115 15.607 0.424 -6.570
934 H SER 116 H SER 116 18.060 2.815 -9.454
935 HA SER 116 HA SER 116 18.317 3.404 -11.533
936 HB SER 116 2HB SER 116 17.972 0.841 -11.662
937 HB SER 116 QB SER 116 17.972 0.841 -11.662
938 HG SER 116 HG SER 116 16.127 0.206 -12.931
No H/Q in entry = 795
Start of MODEL 21
1 H SER 1 H SER 1 -9.948 -15.796 -2.050
2 HA SER 1 HA SER 1 -12.055 -15.140 -0.151
3 HB SER 1 2HB SER 1 -10.250 -16.241 1.531
4 HB SER 1 QB SER 1 -10.250 -16.241 1.531
5 HG SER 1 HG SER 1 -11.453 -18.363 1.046
6 H LEU 2 H LEU 2 -8.613 -14.925 -1.178
7 HA LEU 2 HA LEU 2 -8.141 -12.377 -1.092
8 HB LEU 2 2HB LEU 2 -8.540 -13.244 1.732
9 HB LEU 2 QB LEU 2 -8.540 -13.244 1.732
10 HG LEU 2 HG LEU 2 -6.654 -11.022 0.904
11 1HD1 LEU 2 3HD1 LEU 2 -8.513 -10.654 2.773
12 2HD1 LEU 2 1HD1 LEU 2 -7.317 -11.520 3.766
13 3HD1 LEU 2 2HD1 LEU 2 -6.861 -10.014 2.933
14 1HD2 LEU 2 1HD2 LEU 2 -6.274 -13.712 2.023
15 2HD2 LEU 2 2HD2 LEU 2 -5.131 -12.638 1.181
16 3HD2 LEU 2 3HD2 LEU 2 -5.440 -12.421 2.921
17 H GLY 3 H GLY 3 -5.943 -11.939 -1.413
18 1HA GLY 3 1HA GLY 3 -4.161 -14.264 -0.983
19 2HA GLY 3 2HA GLY 3 -4.099 -13.212 -2.383
20 H ILE 4 H ILE 4 -1.729 -13.193 -1.459
21 HA ILE 4 HA ILE 4 -1.242 -10.646 -0.471
22 HB ILE 4 HB ILE 4 -2.202 -12.006 1.581
23 HG1 ILE 4 2HG1 ILE 4 -0.439 -10.599 2.986
24 HG1 ILE 4 QG1 ILE 4 -0.439 -10.599 2.986
25 1HG2 ILE 4 1HG2 ILE 4 -0.570 -13.842 1.383
26 2HG2 ILE 4 2HG2 ILE 4 0.749 -12.688 1.691
27 3HG2 ILE 4 3HG2 ILE 4 -0.467 -13.005 2.951
28 1HD1 ILE 4 3HD1 ILE 4 0.996 -10.318 0.853
29 2HD1 ILE 4 1HD1 ILE 4 -0.301 -9.252 0.261
30 3HD1 ILE 4 2HD1 ILE 4 0.589 -8.832 1.744
31 H ASP 5 H ASP 5 0.817 -10.117 -1.068
32 HA ASP 5 HA ASP 5 2.708 -12.297 -1.280
33 HB ASP 5 2HB ASP 5 3.000 -10.426 -3.512
34 HB ASP 5 QB ASP 5 3.000 -10.426 -3.512
35 HD2 ASP 5 HD ASP 5 1.937 -13.626 -4.991
36 H MET 6 H MET 6 4.897 -11.561 -0.919
37 HA MET 6 HA MET 6 5.192 -8.684 -0.600
38 HB MET 6 2HB MET 6 6.548 -9.172 1.495
39 HB MET 6 QB MET 6 6.548 -9.172 1.495
40 HG MET 6 2HG MET 6 3.625 -9.909 1.277
41 HG MET 6 QG MET 6 3.625 -9.909 1.277
42 1HE MET 6 3HE MET 6 2.100 -10.526 3.177
43 2HE MET 6 1HE MET 6 2.840 -11.986 2.479
44 3HE MET 6 2HE MET 6 2.657 -11.839 4.243
45 H ASN 7 H ASN 7 7.130 -7.855 -1.382
46 HA ASN 7 HA ASN 7 9.195 -9.803 -1.985
47 HB ASN 7 2HB ASN 7 9.211 -7.810 -4.065
48 HB ASN 7 QB ASN 7 9.211 -7.810 -4.065
49 1HD2 ASN 7 2HD2 ASN 7 10.576 -10.768 -5.346
50 2HD2 ASN 7 1HD2 ASN 7 10.857 -9.217 -4.626
51 H VAL 8 H VAL 8 11.355 -8.610 -2.454
52 HA VAL 8 HA VAL 8 11.377 -5.956 -1.205
53 HB VAL 8 HB VAL 8 12.394 -8.354 -0.128
54 1HG1 VAL 8 1HG1 VAL 8 14.347 -8.150 -1.586
55 2HG1 VAL 8 2HG1 VAL 8 14.618 -6.486 -1.017
56 3HG1 VAL 8 3HG1 VAL 8 14.798 -7.851 0.111
57 1HG2 VAL 8 1HG2 VAL 8 11.613 -5.957 0.805
58 2HG2 VAL 8 2HG2 VAL 8 12.585 -7.099 1.763
59 3HG2 VAL 8 3HG2 VAL 8 13.377 -5.745 0.921
60 H LYS 9 H LYS 9 12.634 -4.433 -2.246
61 HA LYS 9 HA LYS 9 14.428 -5.405 -4.332
62 HB LYS 9 2HB LYS 9 13.326 -4.499 -6.066
63 HB LYS 9 QB LYS 9 13.326 -4.499 -6.066
64 HG LYS 9 2HG LYS 9 10.790 -4.119 -5.555
65 HG LYS 9 QG LYS 9 10.790 -4.119 -5.555
66 HD LYS 9 2HD LYS 9 10.856 -6.747 -4.645
67 HD LYS 9 QD LYS 9 10.856 -6.747 -4.645
68 HE LYS 9 2HE LYS 9 11.321 -5.751 -7.498
69 HE LYS 9 QE LYS 9 11.321 -5.751 -7.498
70 1HZ LYS 9 1HZ LYS 9 10.176 -8.301 -6.487
71 2HZ LYS 9 2HZ LYS 9 10.240 -7.864 -8.054
72 H GLU 10 H GLU 10 16.354 -4.715 -3.534
73 HA GLU 10 HA GLU 10 17.919 -3.379 -2.844
74 HB GLU 10 2HB GLU 10 16.031 -1.341 -4.036
75 HB GLU 10 QB GLU 10 16.031 -1.341 -4.036
76 HG GLU 10 2HG GLU 10 18.317 -0.829 -2.188
77 HG GLU 10 QG GLU 10 18.317 -0.829 -2.188
78 HE2 GLU 10 HE GLU 10 18.220 1.948 -3.078
79 H SER 11 H SER 11 14.628 -2.793 -1.694
80 HA SER 11 HA SER 11 15.130 -3.013 0.898
81 HB SER 11 2HB SER 11 16.304 -1.214 1.595
82 HB SER 11 QB SER 11 16.304 -1.214 1.595
83 HG SER 11 HG SER 11 16.952 0.439 0.168
84 H VAL 12 H VAL 12 13.300 -2.238 -1.774
85 HA VAL 12 HA VAL 12 11.060 -1.090 -0.338
86 HB VAL 12 HB VAL 12 11.811 -0.389 -2.635
87 1HG1 VAL 12 1HG1 VAL 12 12.068 -2.927 -3.297
88 2HG1 VAL 12 2HG1 VAL 12 10.349 -2.770 -3.736
89 3HG1 VAL 12 3HG1 VAL 12 11.564 -1.721 -4.506
90 1HG2 VAL 12 1HG2 VAL 12 9.553 0.083 -1.670
91 2HG2 VAL 12 2HG2 VAL 12 9.569 -0.024 -3.446
92 3HG2 VAL 12 3HG2 VAL 12 8.947 -1.382 -2.479
93 H LEU 13 H LEU 13 9.421 -2.256 0.541
94 HA LEU 13 HA LEU 13 9.470 -5.131 0.037
95 HB LEU 13 2HB LEU 13 9.157 -5.305 2.203
96 HB LEU 13 QB LEU 13 9.157 -5.305 2.203
97 HG LEU 13 HG LEU 13 10.084 -2.784 2.170
98 1HD1 LEU 13 2HD1 LEU 13 7.561 -2.081 2.000
99 2HD1 LEU 13 3HD1 LEU 13 7.582 -2.350 3.761
100 3HD1 LEU 13 1HD1 LEU 13 8.694 -1.168 3.028
101 1HD2 LEU 13 3HD2 LEU 13 9.293 -4.675 4.299
102 2HD2 LEU 13 1HD2 LEU 13 10.856 -3.887 3.973
103 3HD2 LEU 13 2HD2 LEU 13 9.570 -2.996 4.823
104 H CYS 14 H CYS 14 8.339 -5.564 -1.819
105 HA CYS 14 HA CYS 14 6.063 -4.044 -2.535
106 HB CYS 14 2HB CYS 14 6.090 -5.214 -4.506
107 HB CYS 14 QB CYS 14 6.090 -5.214 -4.506
108 HG CYS 14 HG CYS 14 8.541 -6.280 -5.131
109 H ILE 15 H ILE 15 3.848 -4.588 -2.286
110 HA ILE 15 HA ILE 15 3.311 -7.047 -0.785
111 HB ILE 15 HB ILE 15 2.854 -4.262 0.024
112 HG1 ILE 15 2HG1 ILE 15 2.961 -6.914 1.491
113 HG1 ILE 15 QG1 ILE 15 2.961 -6.914 1.491
114 1HG2 ILE 15 2HG2 ILE 15 0.602 -6.249 -0.030
115 2HG2 ILE 15 3HG2 ILE 15 0.729 -5.064 1.292
116 3HG2 ILE 15 1HG2 ILE 15 0.593 -4.507 -0.393
117 1HD1 ILE 15 2HD1 ILE 15 4.969 -4.982 0.516
118 2HD1 ILE 15 3HD1 ILE 15 5.083 -5.283 2.267
119 3HD1 ILE 15 1HD1 ILE 15 5.191 -6.641 1.121
120 H ARG 16 H ARG 16 2.455 -8.204 -2.493
121 HA ARG 16 HA ARG 16 0.487 -6.844 -4.106
122 HB ARG 16 2HB ARG 16 0.834 -9.643 -4.815
123 HB ARG 16 QB ARG 16 0.834 -9.643 -4.815
124 HG ARG 16 2HG ARG 16 0.982 -6.975 -6.027
125 HG ARG 16 QG ARG 16 0.982 -6.975 -6.027
126 HD ARG 16 2HD ARG 16 3.143 -9.002 -6.643
127 HD ARG 16 QD ARG 16 3.143 -9.002 -6.643
128 HE ARG 16 HE ARG 16 1.519 -7.668 -8.672
129 1HH1 ARG 16 2HH2 ARG 16 4.784 -8.820 -7.921
130 2HH1 ARG 16 1HH2 ARG 16 5.249 -8.968 -9.582
131 HH2 ARG 16 1HH ARG 16 3.673 -8.400 -11.296
132 H LEU 17 H LEU 17 -1.514 -6.804 -3.077
133 HA LEU 17 HA LEU 17 -2.357 -9.248 -1.708
134 HB LEU 17 2HB LEU 17 -3.619 -6.511 -1.596
135 HB LEU 17 QB LEU 17 -3.619 -6.511 -1.596
136 HG LEU 17 HG LEU 17 -4.650 -7.154 0.409
137 1HD1 LEU 17 2HD1 LEU 17 -5.496 -8.208 -1.822
138 2HD1 LEU 17 3HD1 LEU 17 -4.964 -9.738 -1.086
139 3HD1 LEU 17 1HD1 LEU 17 -6.187 -8.736 -0.269
140 1HD2 LEU 17 1HD2 LEU 17 -2.729 -9.472 0.405
141 2HD2 LEU 17 2HD2 LEU 17 -3.009 -8.237 1.656
142 3HD2 LEU 17 3HD2 LEU 17 -4.222 -9.510 1.373
143 H THR 18 H THR 18 -3.958 -10.530 -2.516
144 HA THR 18 HA THR 18 -5.553 -9.424 -4.724
145 HB THR 18 HB THR 18 -5.251 -11.938 -5.593
146 HG1 THR 18 1HG THR 18 -2.844 -11.285 -4.047
147 1HG2 THR 18 2HG2 THR 18 -3.197 -9.691 -5.771
148 2HG2 THR 18 3HG2 THR 18 -2.950 -11.238 -6.614
149 3HG2 THR 18 1HG2 THR 18 -4.353 -10.220 -7.014
150 H GLY 19 H GLY 19 -7.603 -9.338 -4.068
151 1HA GLY 19 1HA GLY 19 -9.274 -11.340 -3.589
152 2HA GLY 19 2HA GLY 19 -8.516 -11.192 -2.015
153 H GLU 20 H GLU 20 -9.446 -9.797 -0.580
154 HA GLU 20 HA GLU 20 -10.976 -7.604 -1.745
155 HB GLU 20 2HB GLU 20 -12.119 -8.189 0.778
156 HB GLU 20 QB GLU 20 -12.119 -8.189 0.778
157 HG GLU 20 2HG GLU 20 -12.931 -7.812 -1.899
158 HG GLU 20 QG GLU 20 -12.931 -7.812 -1.899
159 HE1 GLU 20 HE GLU 20 -13.226 -11.329 -2.607
160 H LEU 21 H LEU 21 -11.237 -5.697 -0.229
161 HA LEU 21 HA LEU 21 -8.959 -5.557 1.622
162 HB LEU 21 2HB LEU 21 -9.914 -3.577 -0.433
163 HB LEU 21 QB LEU 21 -9.914 -3.577 -0.433
164 HG LEU 21 HG LEU 21 -7.707 -2.410 0.702
165 1HD1 LEU 21 3HD1 LEU 21 -9.824 -1.377 -0.180
166 2HD1 LEU 21 1HD1 LEU 21 -10.555 -1.681 1.415
167 3HD1 LEU 21 2HD1 LEU 21 -9.146 -0.603 1.273
168 1HD2 LEU 21 2HD2 LEU 21 -8.256 -4.102 2.662
169 2HD2 LEU 21 3HD2 LEU 21 -7.706 -2.440 2.986
170 3HD2 LEU 21 1HD2 LEU 21 -9.436 -2.842 3.099
171 H ASP 22 H ASP 22 -10.415 -6.240 3.327
172 HA ASP 22 HA ASP 22 -12.087 -4.010 4.149
173 HB ASP 22 2HB ASP 22 -13.965 -5.275 4.094
174 HB ASP 22 QB ASP 22 -13.965 -5.275 4.094
175 HD1 ASP 22 HD ASP 22 -13.456 -6.768 1.245
176 H HIS 23 H HIS 23 -12.779 -4.577 6.655
177 HA HIS 23 HA HIS 23 -10.490 -4.516 8.144
178 HB HIS 23 2HB HIS 23 -13.004 -3.983 8.685
179 HB HIS 23 QB HIS 23 -13.004 -3.983 8.685
180 HD1 HIS 23 1HD HIS 23 -12.334 -6.440 11.376
181 HD2 HIS 23 2HD HIS 23 -14.816 -6.159 8.007
182 HE1 HIS 23 1HE HIS 23 -14.117 -8.245 11.649
183 H HIS 24 H HIS 24 -11.975 -7.217 6.560
184 HA HIS 24 HA HIS 24 -10.809 -9.140 8.368
185 HB HIS 24 2HB HIS 24 -11.738 -10.724 6.516
186 HB HIS 24 QB HIS 24 -11.738 -10.724 6.516
187 HD1 HIS 24 1HD HIS 24 -12.484 -11.664 8.865
188 HD2 HIS 24 2HD HIS 24 -14.734 -8.411 7.469
189 HE1 HIS 24 1HE HIS 24 -14.581 -11.568 10.317
190 H THR 25 H THR 25 -10.391 -7.933 4.987
191 HA THR 25 HA THR 25 -8.082 -9.611 4.589
192 HB THR 25 HB THR 25 -8.247 -8.834 2.353
193 HG1 THR 25 1HG THR 25 -8.031 -6.562 2.964
194 1HG2 THR 25 3HG2 THR 25 -10.702 -9.428 3.623
195 2HG2 THR 25 1HG2 THR 25 -11.010 -7.900 2.763
196 3HG2 THR 25 2HG2 THR 25 -10.431 -9.325 1.867
197 H ALA 26 H ALA 26 -8.778 -6.251 5.554
198 HA ALA 26 HA ALA 26 -6.239 -5.208 5.129
199 1HB ALA 26 2HB ALA 26 -8.719 -4.410 6.247
200 2HB ALA 26 3HB ALA 26 -7.491 -4.120 7.502
201 3HB ALA 26 1HB ALA 26 -7.308 -3.385 5.892
202 H GLU 27 H GLU 27 -7.496 -7.452 7.545
203 HA GLU 27 HA GLU 27 -5.793 -7.034 9.609
204 HB GLU 27 2HB GLU 27 -6.168 -9.898 9.030
205 HB GLU 27 QB GLU 27 -6.168 -9.898 9.030
206 HG GLU 27 2HG GLU 27 -6.041 -8.295 11.269
207 HG GLU 27 QG GLU 27 -6.041 -8.295 11.269
208 HE2 GLU 27 HE GLU 27 -8.080 -8.325 13.122
209 H THR 28 H THR 28 -5.260 -9.161 6.711
210 HA THR 28 HA THR 28 -2.806 -10.171 7.320
211 HB THR 28 HB THR 28 -4.518 -10.200 5.171
212 HG1 THR 28 1HG THR 28 -2.828 -11.752 5.823
213 1HG2 THR 28 2HG2 THR 28 -3.362 -7.972 4.401
214 2HG2 THR 28 3HG2 THR 28 -1.935 -8.992 4.096
215 3HG2 THR 28 1HG2 THR 28 -3.455 -9.302 3.223
216 H LEU 29 H LEU 29 -3.548 -6.893 6.029
217 HA LEU 29 HA LEU 29 -0.796 -6.219 5.793
218 HB LEU 29 2HB LEU 29 -2.836 -4.091 6.043
219 HB LEU 29 QB LEU 29 -2.836 -4.091 6.043
220 HG LEU 29 HG LEU 29 -1.539 -2.979 4.621
221 1HD1 LEU 29 2HD1 LEU 29 0.150 -4.353 6.007
222 2HD1 LEU 29 3HD1 LEU 29 0.426 -5.257 4.498
223 3HD1 LEU 29 1HD1 LEU 29 0.729 -3.503 4.553
224 1HD2 LEU 29 1HD2 LEU 29 -2.658 -4.329 2.805
225 2HD2 LEU 29 2HD2 LEU 29 -1.060 -3.656 2.399
226 3HD2 LEU 29 3HD2 LEU 29 -1.222 -5.381 2.811
227 H LYS 30 H LYS 30 -3.244 -6.145 8.355
228 HA LYS 30 HA LYS 30 -2.160 -4.241 10.017
229 HB LYS 30 2HB LYS 30 -3.258 -6.701 11.274
230 HB LYS 30 QB LYS 30 -3.258 -6.701 11.274
231 HG LYS 30 2HG LYS 30 -4.792 -4.895 12.240
232 HG LYS 30 QG LYS 30 -4.792 -4.895 12.240
233 HD LYS 30 2HD LYS 30 -2.898 -3.766 13.556
234 HD LYS 30 QD LYS 30 -2.898 -3.766 13.556
235 HE LYS 30 2HE LYS 30 -2.075 -6.584 13.671
236 HE LYS 30 QE LYS 30 -2.075 -6.584 13.671
237 1HZ LYS 30 1HZ LYS 30 -2.030 -5.611 15.717
238 2HZ LYS 30 2HZ LYS 30 -3.218 -4.544 15.399
239 H GLN 31 H GLN 31 -1.324 -7.742 9.676
240 HA GLN 31 HA GLN 31 0.637 -7.580 11.697
241 HB GLN 31 2HB GLN 31 -0.387 -9.717 11.274
242 HB GLN 31 QB GLN 31 -0.387 -9.717 11.274
243 HG GLN 31 2HG GLN 31 0.527 -9.258 8.404
244 HG GLN 31 QG GLN 31 0.527 -9.258 8.404
245 1HE2 GLN 31 2HE2 GLN 31 -1.036 -12.923 8.500
246 2HE2 GLN 31 1HE2 GLN 31 -1.896 -11.421 8.577
247 H LYS 32 H LYS 32 0.557 -7.156 8.156
248 HA LYS 32 HA LYS 32 3.354 -7.300 7.786
249 HB LYS 32 2HB LYS 32 1.187 -6.022 6.093
250 HB LYS 32 QB LYS 32 1.187 -6.022 6.093
251 HG LYS 32 2HG LYS 32 3.680 -5.370 5.682
252 HG LYS 32 QG LYS 32 3.680 -5.370 5.682
253 HD LYS 32 2HD LYS 32 3.705 -8.207 4.553
254 HD LYS 32 QD LYS 32 3.705 -8.207 4.553
255 HE LYS 32 2HE LYS 32 5.540 -5.828 4.450
256 HE LYS 32 QE LYS 32 5.540 -5.828 4.450
257 1HZ LYS 32 1HZ LYS 32 6.572 -7.902 5.695
258 2HZ LYS 32 2HZ LYS 32 6.752 -8.479 4.183
259 H VAL 33 H VAL 33 1.406 -5.089 9.466
260 HA VAL 33 HA VAL 33 2.948 -2.754 8.764
261 HB VAL 33 HB VAL 33 0.832 -3.232 10.873
262 1HG1 VAL 33 3HG1 VAL 33 2.554 -0.943 10.282
263 2HG1 VAL 33 1HG1 VAL 33 0.824 -0.536 10.194
264 3HG1 VAL 33 2HG1 VAL 33 1.497 -1.250 11.680
265 1HG2 VAL 33 3HG2 VAL 33 0.642 -2.993 8.020
266 2HG2 VAL 33 1HG2 VAL 33 -0.660 -3.180 9.219
267 3HG2 VAL 33 2HG2 VAL 33 -0.091 -1.554 8.770
268 H THR 34 H THR 34 2.470 -4.904 11.648
269 HA THR 34 HA THR 34 4.308 -3.644 13.301
270 HB THR 34 HB THR 34 2.782 -5.247 14.232
271 HG1 THR 34 1HG THR 34 4.381 -6.738 15.131
272 1HG2 THR 34 2HG2 THR 34 3.943 -7.175 12.157
273 2HG2 THR 34 3HG2 THR 34 2.966 -7.706 13.547
274 3HG2 THR 34 1HG2 THR 34 2.247 -6.656 12.304
275 H GLN 35 H GLN 35 4.804 -6.157 10.777
276 HA GLN 35 HA GLN 35 7.437 -6.673 11.411
277 HB GLN 35 2HB GLN 35 6.060 -8.057 9.881
278 HB GLN 35 QB GLN 35 6.060 -8.057 9.881
279 HG GLN 35 2HG GLN 35 5.194 -5.838 8.682
280 HG GLN 35 QG GLN 35 5.194 -5.838 8.682
281 1HE2 GLN 35 2HE2 GLN 35 6.875 -4.569 5.840
282 2HE2 GLN 35 1HE2 GLN 35 5.334 -4.864 6.575
283 H SER 36 H SER 36 5.945 -4.187 9.262
284 HA SER 36 HA SER 36 8.484 -3.227 8.439
285 HB SER 36 2HB SER 36 6.136 -1.431 8.142
286 HB SER 36 QB SER 36 6.136 -1.431 8.142
287 HG SER 36 HG SER 36 7.173 -2.498 5.831
288 H LEU 37 H LEU 37 6.301 -2.727 11.136
289 HA LEU 37 HA LEU 37 6.786 -0.117 11.824
290 HB LEU 37 2HB LEU 37 6.735 -1.698 14.187
291 HB LEU 37 QB LEU 37 6.735 -1.698 14.187
292 HG LEU 37 HG LEU 37 4.503 -0.899 14.500
293 1HD1 LEU 37 2HD1 LEU 37 6.175 1.227 13.134
294 2HD1 LEU 37 3HD1 LEU 37 4.788 1.525 14.209
295 3HD1 LEU 37 1HD1 LEU 37 6.257 0.747 14.846
296 1HD2 LEU 37 1HD2 LEU 37 4.517 -0.150 11.564
297 2HD2 LEU 37 2HD2 LEU 37 3.549 -1.425 12.339
298 3HD2 LEU 37 3HD2 LEU 37 3.246 0.283 12.733
299 H GLU 38 H GLU 38 8.895 -2.972 12.048
300 HA GLU 38 HA GLU 38 11.103 -1.247 12.472
301 HB GLU 38 2HB GLU 38 11.715 -2.901 14.554
302 HB GLU 38 QB GLU 38 11.715 -2.901 14.554
303 HG GLU 38 2HG GLU 38 11.035 -0.162 14.191
304 HG GLU 38 QG GLU 38 11.035 -0.162 14.191
305 HE1 GLU 38 HE GLU 38 8.124 0.110 15.275
306 H LYS 39 H LYS 39 11.350 -2.329 10.308
307 HA LYS 39 HA LYS 39 11.763 -5.138 10.235
308 HB LYS 39 2HB LYS 39 10.960 -3.675 8.338
309 HB LYS 39 QB LYS 39 10.960 -3.675 8.338
310 HG LYS 39 2HG LYS 39 13.085 -2.905 6.941
311 HG LYS 39 QG LYS 39 13.085 -2.905 6.941
312 HD LYS 39 2HD LYS 39 11.201 -1.568 8.557
313 HD LYS 39 QD LYS 39 11.201 -1.568 8.557
314 HE LYS 39 2HE LYS 39 14.048 -0.882 9.311
315 HE LYS 39 QE LYS 39 14.048 -0.882 9.311
316 1HZ LYS 39 1HZ LYS 39 11.945 1.122 9.685
317 2HZ LYS 39 2HZ LYS 39 13.554 1.340 9.561
318 H ASP 40 H ASP 40 13.857 -2.224 10.497
319 HA ASP 40 HA ASP 40 15.735 -3.197 12.035
320 HB ASP 40 2HB ASP 40 17.501 -3.704 9.971
321 HB ASP 40 QB ASP 40 17.501 -3.704 9.971
322 HD2 ASP 40 HD ASP 40 15.792 -6.889 10.401
323 H ASP 41 H ASP 41 16.851 -2.407 8.715
324 HA ASP 41 HA ASP 41 17.874 0.072 9.677
325 HB ASP 41 2HB ASP 41 17.916 -1.307 6.956
326 HB ASP 41 QB ASP 41 17.916 -1.307 6.956
327 HD2 ASP 41 HD ASP 41 19.480 -0.312 5.433
328 H ILE 42 H ILE 42 16.912 0.078 6.320
329 HA ILE 42 HA ILE 42 14.358 1.344 6.837
330 HB ILE 42 HB ILE 42 16.809 2.796 6.042
331 HG1 ILE 42 2HG1 ILE 42 15.501 4.673 7.104
332 HG1 ILE 42 QG1 ILE 42 15.501 4.673 7.104
333 1HG2 ILE 42 1HG2 ILE 42 14.155 3.200 4.655
334 2HG2 ILE 42 2HG2 ILE 42 15.389 4.476 4.781
335 3HG2 ILE 42 3HG2 ILE 42 15.763 2.958 3.931
336 1HD1 ILE 42 2HD1 ILE 42 13.291 3.120 6.700
337 2HD1 ILE 42 3HD1 ILE 42 13.705 2.648 8.365
338 3HD1 ILE 42 1HD1 ILE 42 13.397 4.357 7.977
339 H ARG 43 H ARG 43 12.916 0.626 5.359
340 HA ARG 43 HA ARG 43 14.074 -0.436 2.908
341 HB ARG 43 2HB ARG 43 11.543 -1.602 3.129
342 HB ARG 43 QB ARG 43 11.543 -1.602 3.129
343 HG ARG 43 2HG ARG 43 13.245 -3.088 2.550
344 HG ARG 43 QG ARG 43 13.245 -3.088 2.550
345 HD ARG 43 2HD ARG 43 14.819 -1.507 4.530
346 HD ARG 43 QD ARG 43 14.819 -1.507 4.530
347 HE ARG 43 HE ARG 43 15.752 -3.386 5.533
348 1HH1 ARG 43 2HH2 ARG 43 14.706 -4.299 2.272
349 2HH1 ARG 43 1HH2 ARG 43 15.277 -5.929 2.412
350 HH2 ARG 43 1HH ARG 43 16.329 -6.634 4.446
351 H HIS 44 H HIS 44 11.639 -0.805 1.463
352 HA HIS 44 HA HIS 44 10.464 1.867 1.434
353 HB HIS 44 2HB HIS 44 10.531 1.671 -1.123
354 HB HIS 44 QB HIS 44 10.531 1.671 -1.123
355 HD1 HIS 44 1HD HIS 44 11.490 3.696 1.055
356 HD2 HIS 44 2HD HIS 44 14.020 1.722 -1.647
357 HE1 HIS 44 1HE HIS 44 13.593 5.128 0.869
358 H ILE 45 H ILE 45 8.349 1.912 0.226
359 HA ILE 45 HA ILE 45 6.991 -0.637 0.674
360 HB ILE 45 HB ILE 45 5.153 0.517 1.260
361 HG1 ILE 45 2HG1 ILE 45 4.724 2.917 0.366
362 HG1 ILE 45 QG1 ILE 45 4.724 2.917 0.366
363 1HG2 ILE 45 3HG2 ILE 45 7.131 1.316 2.628
364 2HG2 ILE 45 1HG2 ILE 45 7.086 2.805 1.654
365 3HG2 ILE 45 2HG2 ILE 45 5.683 2.353 2.652
366 1HD1 ILE 45 2HD1 ILE 45 7.236 2.418 -0.845
367 2HD1 ILE 45 3HD1 ILE 45 6.037 2.226 -2.146
368 3HD1 ILE 45 1HD1 ILE 45 6.111 3.745 -1.222
369 H VAL 46 H VAL 46 5.394 -1.383 -0.927
370 HA VAL 46 HA VAL 46 5.476 -0.209 -3.536
371 HB VAL 46 HB VAL 46 7.194 -2.500 -2.818
372 1HG1 VAL 46 2HG1 VAL 46 5.433 -3.678 -4.053
373 2HG1 VAL 46 3HG1 VAL 46 5.587 -2.519 -5.395
374 3HG1 VAL 46 1HG1 VAL 46 6.939 -3.606 -5.000
375 1HG2 VAL 46 1HG2 VAL 46 7.791 -0.134 -3.763
376 2HG2 VAL 46 2HG2 VAL 46 8.660 -1.569 -4.358
377 3HG2 VAL 46 3HG2 VAL 46 7.353 -0.854 -5.332
378 H LEU 47 H LEU 47 3.203 -0.053 -3.035
379 HA LEU 47 HA LEU 47 1.777 -2.491 -2.498
380 HB LEU 47 2HB LEU 47 -0.123 -0.630 -3.042
381 HB LEU 47 QB LEU 47 -0.123 -0.630 -3.042
382 HG LEU 47 HG LEU 47 -0.433 -1.446 -0.945
383 1HD1 LEU 47 3HD1 LEU 47 2.554 -1.282 -0.661
384 2HD1 LEU 47 1HD1 LEU 47 1.519 -1.481 0.773
385 3HD1 LEU 47 2HD1 LEU 47 1.473 -2.690 -0.531
386 1HD2 LEU 47 2HD2 LEU 47 0.806 1.265 -0.691
387 2HD2 LEU 47 3HD2 LEU 47 -0.874 0.741 -0.425
388 3HD2 LEU 47 1HD2 LEU 47 0.377 0.367 0.785
389 H ASN 48 H ASN 48 0.098 -3.375 -3.903
390 HA ASN 48 HA ASN 48 -0.274 -2.487 -6.487
391 HB ASN 48 2HB ASN 48 1.814 -3.173 -7.298
392 HB ASN 48 QB ASN 48 1.814 -3.173 -7.298
393 1HD2 ASN 48 2HD2 ASN 48 4.231 -5.117 -5.698
394 2HD2 ASN 48 1HD2 ASN 48 3.765 -4.196 -7.089
395 H LEU 49 H LEU 49 -2.449 -3.137 -6.282
396 HA LEU 49 HA LEU 49 -2.931 -5.888 -5.400
397 HB LEU 49 2HB LEU 49 -5.367 -4.596 -5.524
398 HB LEU 49 QB LEU 49 -5.367 -4.596 -5.524
399 HG LEU 49 HG LEU 49 -3.688 -5.654 -3.462
400 1HD1 LEU 49 3HD1 LEU 49 -3.464 -3.126 -2.986
401 2HD1 LEU 49 1HD1 LEU 49 -5.159 -3.229 -2.454
402 3HD1 LEU 49 2HD1 LEU 49 -3.912 -4.212 -1.650
403 1HD2 LEU 49 3HD2 LEU 49 -6.457 -5.529 -4.214
404 2HD2 LEU 49 1HD2 LEU 49 -5.621 -6.696 -3.163
405 3HD2 LEU 49 2HD2 LEU 49 -6.293 -5.201 -2.471
406 H GLU 50 H GLU 50 -3.571 -7.404 -6.843
407 HA GLU 50 HA GLU 50 -4.132 -6.429 -9.515
408 HB GLU 50 2HB GLU 50 -3.942 -9.335 -9.262
409 HB GLU 50 QB GLU 50 -3.942 -9.335 -9.262
410 HG GLU 50 2HG GLU 50 -2.279 -7.177 -10.638
411 HG GLU 50 QG GLU 50 -2.279 -7.177 -10.638
412 HE2 GLU 50 HE GLU 50 -1.851 -8.917 -12.828
413 H ASP 51 H ASP 51 -5.614 -7.870 -6.695
414 HA ASP 51 HA ASP 51 -8.001 -8.349 -8.300
415 HB ASP 51 2HB ASP 51 -7.043 -9.744 -5.759
416 HB ASP 51 QB ASP 51 -7.043 -9.744 -5.759
417 HD1 ASP 51 HD ASP 51 -10.458 -9.194 -5.827
418 H LEU 52 H LEU 52 -8.082 -5.851 -7.722
419 HA LEU 52 HA LEU 52 -8.926 -5.418 -4.965
420 HB LEU 52 2HB LEU 52 -8.644 -3.267 -7.028
421 HB LEU 52 QB LEU 52 -8.644 -3.267 -7.028
422 HG LEU 52 HG LEU 52 -7.956 -1.866 -5.266
423 1HD1 LEU 52 3HD1 LEU 52 -10.449 -2.800 -5.347
424 2HD1 LEU 52 1HD1 LEU 52 -10.016 -3.358 -3.714
425 3HD1 LEU 52 2HD1 LEU 52 -9.907 -1.629 -4.122
426 1HD2 LEU 52 3HD2 LEU 52 -6.417 -3.451 -4.179
427 2HD2 LEU 52 1HD2 LEU 52 -7.446 -2.594 -3.006
428 3HD2 LEU 52 2HD2 LEU 52 -7.807 -4.282 -3.442
429 H SER 53 H SER 53 -11.034 -5.775 -4.535
430 HA SER 53 HA SER 53 -12.906 -4.903 -6.595
431 HB SER 53 2HB SER 53 -12.940 -7.409 -4.882
432 HB SER 53 QB SER 53 -12.940 -7.409 -4.882
433 HG SER 53 HG SER 53 -15.137 -7.413 -6.349
434 H PHE 54 H PHE 54 -13.754 -6.325 -3.427
435 HA PHE 54 HA PHE 54 -15.543 -4.500 -2.648
436 HB PHE 54 2HB PHE 54 -13.384 -6.041 -1.104
437 HB PHE 54 QB PHE 54 -13.384 -6.041 -1.104
438 HD1 PHE 54 1HD PHE 54 -16.882 -5.658 -0.098
439 HD2 PHE 54 2HD PHE 54 -12.884 -4.454 0.660
440 HE1 PHE 54 1HE PHE 54 -17.590 -4.696 2.110
441 HE2 PHE 54 2HE PHE 54 -13.592 -3.493 2.868
442 HZ PHE 54 HZ PHE 54 -15.936 -3.625 3.566
443 H MET 55 H MET 55 -12.230 -4.431 -1.161
444 HA MET 55 HA MET 55 -11.275 -2.735 -0.097
445 HB MET 55 2HB MET 55 -11.470 -2.176 -3.043
446 HB MET 55 QB MET 55 -11.470 -2.176 -3.043
447 HG MET 55 2HG MET 55 -9.737 -0.160 -2.013
448 HG MET 55 QG MET 55 -9.737 -0.160 -2.013
449 1HE MET 55 3HE MET 55 -13.091 -1.356 -2.869
450 2HE MET 55 1HE MET 55 -13.764 -0.263 -4.103
451 3HE MET 55 2HE MET 55 -12.544 -1.477 -4.559
452 H ASP 56 H ASP 56 -12.855 -2.005 1.435
453 HA ASP 56 HA ASP 56 -14.409 0.276 0.511
454 HB ASP 56 2HB ASP 56 -14.847 -1.049 3.190
455 HB ASP 56 QB ASP 56 -14.847 -1.049 3.190
456 HD2 ASP 56 HD ASP 56 -17.225 -0.331 3.863
457 H SER 57 H SER 57 -14.903 1.017 3.427
458 HA SER 57 HA SER 57 -12.388 2.392 3.798
459 HB SER 57 2HB SER 57 -14.677 3.567 3.774
460 HB SER 57 QB SER 57 -14.677 3.567 3.774
461 HG SER 57 HG SER 57 -16.093 3.087 5.300
462 H SER 58 H SER 58 -12.668 -0.507 4.395
463 HA SER 58 HA SER 58 -12.740 -0.554 7.276
464 HB SER 58 2HB SER 58 -13.185 -2.795 7.084
465 HB SER 58 QB SER 58 -13.185 -2.795 7.084
466 HG SER 58 HG SER 58 -14.296 -3.296 5.165
467 H GLY 59 H GLY 59 -10.503 -1.371 4.534
468 1HA GLY 59 1HA GLY 59 -8.266 -1.529 6.428
469 2HA GLY 59 2HA GLY 59 -8.287 -2.085 4.767
470 H LEU 60 H LEU 60 -9.876 0.740 4.408
471 HA LEU 60 HA LEU 60 -7.849 2.064 3.130
472 HB LEU 60 2HB LEU 60 -9.959 3.700 4.417
473 HB LEU 60 QB LEU 60 -9.959 3.700 4.417
474 HG LEU 60 HG LEU 60 -10.451 4.238 1.978
475 1HD1 LEU 60 3HD1 LEU 60 -7.760 4.955 3.171
476 2HD1 LEU 60 1HD1 LEU 60 -8.516 5.786 1.791
477 3HD1 LEU 60 2HD1 LEU 60 -9.303 5.815 3.387
478 1HD2 LEU 60 1HD2 LEU 60 -9.220 2.154 1.162
479 2HD2 LEU 60 2HD2 LEU 60 -8.935 3.671 0.277
480 3HD2 LEU 60 3HD2 LEU 60 -7.720 3.074 1.432
481 H GLY 61 H GLY 61 -8.927 2.317 6.563
482 1HA GLY 61 1HA GLY 61 -7.043 4.384 7.192
483 2HA GLY 61 2HA GLY 61 -8.037 3.463 8.303
484 H VAL 62 H VAL 62 -7.156 0.794 7.356
485 HA VAL 62 HA VAL 62 -4.949 0.479 9.047
486 HB VAL 62 HB VAL 62 -6.818 -1.113 7.689
487 1HG1 VAL 62 3HG1 VAL 62 -5.084 -1.316 5.882
488 2HG1 VAL 62 1HG1 VAL 62 -4.013 -2.089 7.074
489 3HG1 VAL 62 2HG1 VAL 62 -5.553 -2.861 6.631
490 1HG2 VAL 62 1HG2 VAL 62 -5.860 -1.201 10.074
491 2HG2 VAL 62 2HG2 VAL 62 -6.244 -2.748 9.281
492 3HG2 VAL 62 3HG2 VAL 62 -4.555 -2.192 9.377
493 H ILE 63 H ILE 63 -5.261 1.439 5.691
494 HA ILE 63 HA ILE 63 -2.502 0.750 5.119
495 HB ILE 63 HB ILE 63 -4.902 1.530 3.585
496 HG1 ILE 63 2HG1 ILE 63 -3.220 -0.706 3.838
497 HG1 ILE 63 QG1 ILE 63 -3.220 -0.706 3.838
498 1HG2 ILE 63 3HG2 ILE 63 -3.370 3.389 3.062
499 2HG2 ILE 63 1HG2 ILE 63 -2.133 2.211 2.560
500 3HG2 ILE 63 2HG2 ILE 63 -3.665 2.331 1.661
501 1HD1 ILE 63 2HD1 ILE 63 -5.604 0.139 2.231
502 2HD1 ILE 63 3HD1 ILE 63 -4.733 -1.310 1.673
503 3HD1 ILE 63 1HD1 ILE 63 -5.404 -1.252 3.322
504 H LEU 64 H LEU 64 -4.571 3.540 5.931
505 HA LEU 64 HA LEU 64 -2.653 5.500 5.267
506 HB LEU 64 2HB LEU 64 -4.518 6.215 7.385
507 HB LEU 64 QB LEU 64 -4.518 6.215 7.385
508 HG LEU 64 HG LEU 64 -3.415 7.638 5.420
509 1HD1 LEU 64 3HD1 LEU 64 -5.639 6.204 4.128
510 2HD1 LEU 64 1HD1 LEU 64 -5.642 7.967 3.881
511 3HD1 LEU 64 2HD1 LEU 64 -4.215 7.007 3.423
512 1HD2 LEU 64 2HD2 LEU 64 -5.703 7.948 7.170
513 2HD2 LEU 64 3HD2 LEU 64 -4.466 9.132 6.684
514 3HD2 LEU 64 1HD2 LEU 64 -5.907 8.881 5.669
515 H GLY 65 H GLY 65 -3.496 3.731 8.300
516 1HA GLY 65 1HA GLY 65 -1.824 5.094 10.047
517 2HA GLY 65 2HA GLY 65 -2.338 3.426 10.201
518 H ARG 66 H ARG 66 -1.061 2.897 7.397
519 HA ARG 66 HA ARG 66 1.508 2.294 8.515
520 HB ARG 66 2HB ARG 66 1.210 1.541 5.707
521 HB ARG 66 QB ARG 66 1.210 1.541 5.707
522 HG ARG 66 2HG ARG 66 1.308 0.014 8.347
523 HG ARG 66 QG ARG 66 1.308 0.014 8.347
524 HD ARG 66 2HD ARG 66 0.206 -1.483 6.807
525 HD ARG 66 QD ARG 66 0.206 -1.483 6.807
526 HE ARG 66 HE ARG 66 0.517 -0.503 4.627
527 1HH1 ARG 66 2HH2 ARG 66 3.461 -2.036 5.866
528 2HH1 ARG 66 1HH2 ARG 66 4.233 -2.094 4.316
529 HH2 ARG 66 1HH ARG 66 3.080 -1.232 2.399
530 H TYR 67 H TYR 67 0.097 3.999 5.634
531 HA TYR 67 HA TYR 67 2.250 4.806 4.283
532 HB TYR 67 2HB TYR 67 0.278 6.944 5.124
533 HB TYR 67 QB TYR 67 0.278 6.944 5.124
534 HD1 TYR 67 1HD TYR 67 -0.078 4.764 2.166
535 HD2 TYR 67 2HD TYR 67 1.464 8.467 3.655
536 HE1 TYR 67 1HE TYR 67 0.280 5.581 -0.214
537 HE2 TYR 67 2HE TYR 67 1.817 9.271 1.269
538 HH TYR 67 HH TYR 67 1.229 7.113 -1.466
539 H LYS 68 H LYS 68 1.291 5.929 7.532
540 HA LYS 68 HA LYS 68 3.303 8.009 7.476
541 HB LYS 68 2HB LYS 68 2.409 8.675 9.597
542 HB LYS 68 QB LYS 68 2.409 8.675 9.597
543 HG LYS 68 2HG LYS 68 -0.221 8.361 8.923
544 HG LYS 68 QG LYS 68 -0.221 8.361 8.923
545 HD LYS 68 2HD LYS 68 0.902 10.164 6.972
546 HD LYS 68 QD LYS 68 0.902 10.164 6.972
547 HE LYS 68 2HE LYS 68 -0.774 10.215 9.398
548 HE LYS 68 QE LYS 68 -0.774 10.215 9.398
549 1HZ LYS 68 1HZ LYS 68 0.375 11.852 10.423
550 2HZ LYS 68 2HZ LYS 68 1.354 12.139 9.153
551 H GLN 69 H GLN 69 2.686 4.782 8.933
552 HA GLN 69 HA GLN 69 5.170 4.927 10.351
553 HB GLN 69 2HB GLN 69 3.205 2.615 10.033
554 HB GLN 69 QB GLN 69 3.205 2.615 10.033
555 HG GLN 69 2HG GLN 69 5.182 1.619 10.853
556 HG GLN 69 QG GLN 69 5.182 1.619 10.853
557 1HE2 GLN 69 2HE2 GLN 69 8.028 3.248 11.931
558 2HE2 GLN 69 1HE2 GLN 69 7.251 1.861 11.245
559 H ILE 70 H ILE 70 4.057 4.036 7.203
560 HA ILE 70 HA ILE 70 6.305 2.217 6.801
561 HB ILE 70 HB ILE 70 3.934 1.657 6.117
562 HG1 ILE 70 2HG1 ILE 70 6.335 1.498 4.316
563 HG1 ILE 70 QG1 ILE 70 6.335 1.498 4.316
564 1HG2 ILE 70 3HG2 ILE 70 4.121 4.156 4.814
565 2HG2 ILE 70 1HG2 ILE 70 4.058 2.916 3.540
566 3HG2 ILE 70 2HG2 ILE 70 2.779 2.989 4.774
567 1HD1 ILE 70 2HD1 ILE 70 4.726 -0.344 6.111
568 2HD1 ILE 70 3HD1 ILE 70 5.754 -1.008 4.818
569 3HD1 ILE 70 1HD1 ILE 70 6.479 -0.030 6.117
570 H LYS 71 H LYS 71 5.538 5.520 6.652
571 HA LYS 71 HA LYS 71 7.050 6.087 4.273
572 HB LYS 71 2HB LYS 71 6.705 8.478 5.599
573 HB LYS 71 QB LYS 71 6.705 8.478 5.599
574 HG LYS 71 2HG LYS 71 4.819 6.963 3.736
575 HG LYS 71 QG LYS 71 4.819 6.963 3.736
576 HD LYS 71 2HD LYS 71 3.536 8.770 4.720
577 HD LYS 71 QD LYS 71 3.536 8.770 4.720
578 HE LYS 71 2HE LYS 71 6.168 10.182 4.608
579 HE LYS 71 QE LYS 71 6.168 10.182 4.608
580 1HZ LYS 71 1HZ LYS 71 3.810 11.906 4.560
581 2HZ LYS 71 2HZ LYS 71 5.325 12.227 4.056
582 H GLN 72 H GLN 72 7.445 6.664 7.838
583 HA GLN 72 HA GLN 72 10.011 7.671 7.594
584 HB GLN 72 2HB GLN 72 8.993 8.139 9.646
585 HB GLN 72 QB GLN 72 8.993 8.139 9.646
586 HG GLN 72 2HG GLN 72 8.114 5.239 9.554
587 HG GLN 72 QG GLN 72 8.114 5.239 9.554
588 1HE2 GLN 72 2HE2 GLN 72 7.712 7.166 13.199
589 2HE2 GLN 72 1HE2 GLN 72 7.415 7.972 11.695
590 H ILE 73 H ILE 73 8.795 4.467 7.175
591 HA ILE 73 HA ILE 73 11.480 3.362 7.612
592 HB ILE 73 HB ILE 73 9.884 2.329 9.042
593 HG1 ILE 73 2HG1 ILE 73 10.640 0.249 8.685
594 HG1 ILE 73 QG1 ILE 73 10.640 0.249 8.685
595 1HG2 ILE 73 3HG2 ILE 73 7.886 3.025 7.636
596 2HG2 ILE 73 1HG2 ILE 73 8.188 1.567 6.662
597 3HG2 ILE 73 2HG2 ILE 73 7.807 1.416 8.394
598 1HD1 ILE 73 1HD1 ILE 73 8.738 -0.269 7.138
599 2HD1 ILE 73 2HD1 ILE 73 9.684 0.406 5.790
600 3HD1 ILE 73 3HD1 ILE 73 10.254 -1.053 6.635
601 H GLY 74 H GLY 74 8.575 3.237 5.442
602 1HA GLY 74 1HA GLY 74 10.005 1.903 3.353
603 2HA GLY 74 2HA GLY 74 8.400 2.603 3.276
604 H GLY 75 H GLY 75 10.302 5.025 4.578
605 1HA GLY 75 1HA GLY 75 11.228 6.907 3.775
606 2HA GLY 75 2HA GLY 75 11.807 5.972 2.410
607 H GLU 76 H GLU 76 9.691 5.203 0.944
608 HA GLU 76 HA GLU 76 8.155 7.650 0.553
609 HB GLU 76 2HB GLU 76 8.382 7.448 -1.845
610 HB GLU 76 QB GLU 76 8.382 7.448 -1.845
611 HG GLU 76 2HG GLU 76 10.897 7.455 -2.133
612 HG GLU 76 QG GLU 76 10.897 7.455 -2.133
613 HE1 GLU 76 HE GLU 76 9.956 9.534 -2.411
614 H MET 77 H MET 77 5.991 7.342 -0.378
615 HA MET 77 HA MET 77 5.029 4.655 0.198
616 HB MET 77 2HB MET 77 3.120 5.670 1.067
617 HB MET 77 QB MET 77 3.120 5.670 1.067
618 HG MET 77 2HG MET 77 5.326 7.067 1.790
619 HG MET 77 QG MET 77 5.326 7.067 1.790
620 1HE MET 77 3HE MET 77 6.671 8.542 1.474
621 2HE MET 77 1HE MET 77 6.671 9.830 0.245
622 3HE MET 77 2HE MET 77 6.120 10.179 1.902
623 H VAL 78 H VAL 78 4.230 3.395 -1.442
624 HA VAL 78 HA VAL 78 3.512 4.778 -3.931
625 HB VAL 78 HB VAL 78 5.732 3.139 -3.510
626 1HG1 VAL 78 3HG1 VAL 78 3.555 1.632 -4.995
627 2HG1 VAL 78 1HG1 VAL 78 5.283 1.209 -5.026
628 3HG1 VAL 78 2HG1 VAL 78 4.378 1.136 -3.496
629 1HG2 VAL 78 3HG2 VAL 78 5.192 4.944 -5.268
630 2HG2 VAL 78 1HG2 VAL 78 6.207 3.571 -5.770
631 3HG2 VAL 78 2HG2 VAL 78 4.486 3.616 -6.221
632 H VAL 79 H VAL 79 1.947 3.548 -5.278
633 HA VAL 79 HA VAL 79 0.674 1.256 -4.317
634 HB VAL 79 HB VAL 79 0.014 2.923 -2.545
635 1HG1 VAL 79 1HG1 VAL 79 -1.602 4.106 -4.829
636 2HG1 VAL 79 2HG1 VAL 79 -1.790 4.516 -3.108
637 3HG1 VAL 79 3HG1 VAL 79 -0.270 4.896 -3.952
638 1HG2 VAL 79 2HG2 VAL 79 -1.906 1.312 -4.194
639 2HG2 VAL 79 3HG2 VAL 79 -1.338 1.056 -2.527
640 3HG2 VAL 79 1HG2 VAL 79 -2.538 2.324 -2.874
641 H CYS 80 H CYS 80 0.015 0.353 -6.192
642 HA CYS 80 HA CYS 80 -0.955 2.202 -8.250
643 HB CYS 80 2HB CYS 80 1.207 1.268 -8.900
644 HB CYS 80 QB CYS 80 1.207 1.268 -8.900
645 HG CYS 80 HG CYS 80 -0.202 -1.658 -9.211
646 H ALA 81 H ALA 81 -1.970 0.196 -10.008
647 HA ALA 81 HA ALA 81 -3.687 -1.163 -10.350
648 1HB ALA 81 3HB ALA 81 -2.823 -1.920 -7.604
649 2HB ALA 81 1HB ALA 81 -4.477 -2.396 -8.055
650 3HB ALA 81 2HB ALA 81 -3.096 -2.936 -9.039
651 H ILE 82 H ILE 82 -4.260 1.473 -10.223
652 HA ILE 82 HA ILE 82 -6.295 1.975 -8.261
653 HB ILE 82 HB ILE 82 -4.653 3.650 -9.194
654 HG1 ILE 82 2HG1 ILE 82 -7.571 4.438 -9.400
655 HG1 ILE 82 QG1 ILE 82 -7.571 4.438 -9.400
656 1HG2 ILE 82 1HG2 ILE 82 -6.377 3.228 -11.619
657 2HG2 ILE 82 2HG2 ILE 82 -5.627 4.811 -11.304
658 3HG2 ILE 82 3HG2 ILE 82 -4.607 3.364 -11.491
659 1HD1 ILE 82 2HD1 ILE 82 -5.884 3.547 -7.100
660 2HD1 ILE 82 3HD1 ILE 82 -6.807 5.048 -6.852
661 3HD1 ILE 82 1HD1 ILE 82 -7.654 3.542 -7.283
662 H SER 83 H SER 83 -8.494 2.880 -9.126
663 HA SER 83 HA SER 83 -9.354 1.643 -11.545
664 HB SER 83 2HB SER 83 -9.623 0.179 -9.116
665 HB SER 83 QB SER 83 -9.623 0.179 -9.116
666 HG SER 83 HG SER 83 -12.110 -0.071 -9.500
667 HA PRO 84 HA PRO 84 -12.146 4.965 -11.220
668 HB PRO 84 2HB PRO 84 -12.635 4.892 -13.469
669 HB PRO 84 QB PRO 84 -12.635 4.892 -13.469
670 HG PRO 84 2HG PRO 84 -12.258 2.850 -14.471
671 HG PRO 84 QG PRO 84 -12.258 2.850 -14.471
672 HD PRO 84 2HD PRO 84 -10.689 1.974 -13.037
673 HD PRO 84 QD PRO 84 -10.689 1.974 -13.037
674 H ALA 85 H ALA 85 -12.782 2.051 -9.871
675 HA ALA 85 HA ALA 85 -15.110 3.213 -8.518
676 1HB ALA 85 1HB ALA 85 -15.837 1.533 -10.210
677 2HB ALA 85 2HB ALA 85 -14.809 0.318 -9.413
678 3HB ALA 85 3HB ALA 85 -16.194 1.020 -8.544
679 H VAL 86 H VAL 86 -12.162 3.128 -7.932
680 HA VAL 86 HA VAL 86 -12.432 1.849 -5.328
681 HB VAL 86 HB VAL 86 -10.442 1.181 -7.458
682 1HG1 VAL 86 3HG1 VAL 86 -9.773 1.762 -4.666
683 2HG1 VAL 86 1HG1 VAL 86 -9.326 0.110 -5.157
684 3HG1 VAL 86 2HG1 VAL 86 -8.710 1.507 -6.071
685 1HG2 VAL 86 1HG2 VAL 86 -12.522 -0.164 -6.054
686 2HG2 VAL 86 2HG2 VAL 86 -11.425 -0.812 -7.298
687 3HG2 VAL 86 3HG2 VAL 86 -10.980 -0.915 -5.577
688 H LYS 87 H LYS 87 -10.824 4.101 -7.594
689 HA LYS 87 HA LYS 87 -9.221 5.317 -5.594
690 HB LYS 87 2HB LYS 87 -8.631 5.321 -7.980
691 HB LYS 87 QB LYS 87 -8.631 5.321 -7.980
692 HG LYS 87 2HG LYS 87 -10.772 7.435 -8.389
693 HG LYS 87 QG LYS 87 -10.772 7.435 -8.389
694 HD LYS 87 2HD LYS 87 -9.852 5.623 -10.567
695 HD LYS 87 QD LYS 87 -9.852 5.623 -10.567
696 HE LYS 87 2HE LYS 87 -9.540 8.563 -10.798
697 HE LYS 87 QE LYS 87 -9.540 8.563 -10.798
698 1HZ LYS 87 1HZ LYS 87 -10.921 8.071 -12.767
699 2HZ LYS 87 2HZ LYS 87 -9.627 7.083 -12.712
700 H ARG 88 H ARG 88 -12.581 5.317 -6.244
701 HA ARG 88 HA ARG 88 -13.152 7.977 -5.682
702 HB ARG 88 2HB ARG 88 -14.670 6.090 -6.673
703 HB ARG 88 QB ARG 88 -14.670 6.090 -6.673
704 HG ARG 88 2HG ARG 88 -16.232 5.178 -4.843
705 HG ARG 88 QG ARG 88 -16.232 5.178 -4.843
706 HD ARG 88 2HD ARG 88 -13.539 3.999 -4.278
707 HD ARG 88 QD ARG 88 -13.539 3.999 -4.278
708 HE ARG 88 HE ARG 88 -15.042 2.238 -4.053
709 1HH1 ARG 88 2HH2 ARG 88 -16.198 4.324 -6.673
710 2HH1 ARG 88 1HH2 ARG 88 -17.572 3.330 -7.026
711 HH2 ARG 88 1HH ARG 88 -17.937 1.336 -5.747
712 H LEU 89 H LEU 89 -12.225 5.235 -3.692
713 HA LEU 89 HA LEU 89 -13.423 6.053 -1.280
714 HB LEU 89 2HB LEU 89 -11.152 4.612 -0.618
715 HB LEU 89 QB LEU 89 -11.152 4.612 -0.618
716 HG LEU 89 HG LEU 89 -13.955 3.728 -1.282
717 1HD1 LEU 89 1HD1 LEU 89 -11.544 2.038 -0.969
718 2HD1 LEU 89 2HD1 LEU 89 -12.975 1.548 -0.032
719 3HD1 LEU 89 3HD1 LEU 89 -13.084 1.713 -1.800
720 1HD2 LEU 89 1HD2 LEU 89 -12.920 4.945 0.933
721 2HD2 LEU 89 2HD2 LEU 89 -14.375 3.921 0.911
722 3HD2 LEU 89 3HD2 LEU 89 -12.804 3.227 1.380
723 H PHE 90 H PHE 90 -10.199 6.654 -2.792
724 HA PHE 90 HA PHE 90 -9.439 8.320 -0.566
725 HB PHE 90 2HB PHE 90 -7.336 8.470 -1.890
726 HB PHE 90 QB PHE 90 -7.336 8.470 -1.890
727 HD1 PHE 90 1HD PHE 90 -7.086 6.869 0.072
728 HD2 PHE 90 2HD PHE 90 -8.285 5.592 -3.793
729 HE1 PHE 90 1HE PHE 90 -6.438 4.513 0.650
730 HE2 PHE 90 2HE PHE 90 -7.636 3.237 -3.216
731 HZ PHE 90 HZ PHE 90 -6.721 2.726 -1.002
732 H ASP 91 H ASP 91 -11.078 8.646 -3.631
733 HA ASP 91 HA ASP 91 -10.276 11.300 -4.120
734 HB ASP 91 2HB ASP 91 -12.911 10.596 -5.199
735 HB ASP 91 QB ASP 91 -12.911 10.596 -5.199
736 HD2 ASP 91 HD ASP 91 -12.099 12.686 -7.024
737 H MET 92 H MET 92 -12.904 9.620 -2.358
738 HA MET 92 HA MET 92 -14.363 12.050 -1.960
739 HB MET 92 2HB MET 92 -14.685 9.252 -0.736
740 HB MET 92 QB MET 92 -14.685 9.252 -0.736
741 HG MET 92 2HG MET 92 -17.145 10.758 -1.079
742 HG MET 92 QG MET 92 -17.145 10.758 -1.079
743 1HE MET 92 3HE MET 92 -18.356 9.148 -0.492
744 2HE MET 92 1HE MET 92 -18.302 8.067 0.921
745 3HE MET 92 2HE MET 92 -18.951 9.717 1.086
746 H SER 93 H SER 93 -12.113 9.922 -0.161
747 HA SER 93 HA SER 93 -12.582 11.057 2.338
748 HB SER 93 2HB SER 93 -9.988 9.793 1.357
749 HB SER 93 QB SER 93 -9.988 9.793 1.357
750 HG SER 93 HG SER 93 -11.075 10.470 3.864
751 H GLY 94 H GLY 94 -10.771 12.089 -0.500
752 1HA GLY 94 1HA GLY 94 -9.701 14.017 -0.953
753 2HA GLY 94 2HA GLY 94 -10.301 14.672 0.558
754 H LEU 95 H LEU 95 -8.738 11.710 1.196
755 HA LEU 95 HA LEU 95 -6.330 13.171 2.003
756 HB LEU 95 2HB LEU 95 -7.112 10.467 3.029
757 HB LEU 95 QB LEU 95 -7.112 10.467 3.029
758 HG LEU 95 HG LEU 95 -5.132 10.983 4.066
759 1HD1 LEU 95 1HD1 LEU 95 -5.927 13.897 3.913
760 2HD1 LEU 95 2HD1 LEU 95 -4.491 13.306 4.783
761 3HD1 LEU 95 3HD1 LEU 95 -4.629 13.063 3.025
762 1HD2 LEU 95 1HD2 LEU 95 -7.178 10.873 5.674
763 2HD2 LEU 95 2HD2 LEU 95 -5.585 11.361 6.299
764 3HD2 LEU 95 3HD2 LEU 95 -6.822 12.594 5.954
765 H PHE 96 H PHE 96 -7.293 11.739 -0.677
766 HA PHE 96 HA PHE 96 -5.836 9.520 -1.185
767 HB PHE 96 2HB PHE 96 -5.673 11.685 -3.250
768 HB PHE 96 QB PHE 96 -5.673 11.685 -3.250
769 HD1 PHE 96 2HD PHE 96 -5.054 8.612 -2.855
770 HD2 PHE 96 1HD PHE 96 -8.204 10.782 -4.691
771 HE1 PHE 96 2HE PHE 96 -5.491 6.676 -4.394
772 HE2 PHE 96 1HE PHE 96 -8.640 8.848 -6.230
773 HZ PHE 96 HZ PHE 96 -7.279 6.819 -6.063
774 H LYS 97 H LYS 97 -4.661 12.875 -0.842
775 HA LYS 97 HA LYS 97 -2.155 12.488 -2.023
776 HB LYS 97 2HB LYS 97 -1.623 14.602 -1.185
777 HB LYS 97 QB LYS 97 -1.623 14.602 -1.185
778 HG LYS 97 2HG LYS 97 -4.545 15.064 -0.872
779 HG LYS 97 QG LYS 97 -4.545 15.064 -0.872
780 HD LYS 97 2HD LYS 97 -2.278 16.073 -2.624
781 HD LYS 97 QD LYS 97 -2.278 16.073 -2.624
782 HE LYS 97 2HE LYS 97 -5.266 16.647 -2.906
783 HE LYS 97 QE LYS 97 -5.266 16.647 -2.906
784 1HZ LYS 97 1HZ LYS 97 -3.150 18.404 -3.251
785 2HZ LYS 97 2HZ LYS 97 -3.560 17.948 -4.760
786 H ILE 98 H ILE 98 -3.547 11.391 0.990
787 HA ILE 98 HA ILE 98 -0.965 10.999 2.224
788 HB ILE 98 HB ILE 98 -3.517 11.432 3.157
789 HG1 ILE 98 2HG1 ILE 98 -2.343 11.927 4.982
790 HG1 ILE 98 QG1 ILE 98 -2.343 11.927 4.982
791 1HG2 ILE 98 3HG2 ILE 98 -2.817 8.514 3.554
792 2HG2 ILE 98 1HG2 ILE 98 -4.006 9.401 4.537
793 3HG2 ILE 98 2HG2 ILE 98 -4.273 9.196 2.790
794 1HD1 ILE 98 3HD1 ILE 98 -1.497 8.999 4.939
795 2HD1 ILE 98 1HD1 ILE 98 -0.944 10.147 6.182
796 3HD1 ILE 98 2HD1 ILE 98 -2.678 9.777 6.021
797 H ILE 99 H ILE 99 -2.777 9.488 -0.195
798 HA ILE 99 HA ILE 99 -1.596 6.887 0.492
799 HB ILE 99 HB ILE 99 -4.140 7.587 -0.962
800 HG1 ILE 99 2HG1 ILE 99 -5.215 6.273 0.752
801 HG1 ILE 99 QG1 ILE 99 -5.215 6.273 0.752
802 1HG2 ILE 99 3HG2 ILE 99 -2.532 5.046 -1.005
803 2HG2 ILE 99 1HG2 ILE 99 -4.307 5.004 -1.137
804 3HG2 ILE 99 2HG2 ILE 99 -3.346 5.900 -2.338
805 1HD1 ILE 99 1HD1 ILE 99 -3.216 4.682 1.056
806 2HD1 ILE 99 2HD1 ILE 99 -2.493 5.950 2.076
807 3HD1 ILE 99 3HD1 ILE 99 -4.037 5.200 2.549
808 H ARG 100 H ARG 100 -1.586 9.632 -1.604
809 HA ARG 100 HA ARG 100 -0.896 9.911 -3.693
810 HB ARG 100 2HB ARG 100 1.623 8.432 -2.906
811 HB ARG 100 QB ARG 100 1.623 8.432 -2.906
812 HG ARG 100 2HG ARG 100 0.837 10.740 -4.553
813 HG ARG 100 QG ARG 100 0.837 10.740 -4.553
814 HD ARG 100 2HD ARG 100 2.331 11.345 -2.164
815 HD ARG 100 QD ARG 100 2.331 11.345 -2.164
816 HE ARG 100 HE ARG 100 4.138 10.675 -4.201
817 1HH1 ARG 100 2HH2 ARG 100 3.355 13.601 -2.363
818 2HH1 ARG 100 1HH2 ARG 100 4.955 14.255 -2.484
819 HH2 ARG 100 1HH ARG 100 6.639 13.025 -3.665
820 H PHE 101 H PHE 101 -2.204 8.530 -5.035
821 HA PHE 101 HA PHE 101 -1.086 5.880 -5.561
822 HB PHE 101 2HB PHE 101 -3.670 6.865 -6.763
823 HB PHE 101 QB PHE 101 -3.670 6.865 -6.763
824 HD1 PHE 101 2HD PHE 101 -3.157 4.745 -8.054
825 HD2 PHE 101 1HD PHE 101 -3.916 4.751 -3.879
826 HE1 PHE 101 2HE PHE 101 -3.663 2.288 -8.143
827 HE2 PHE 101 1HE PHE 101 -4.423 2.294 -3.968
828 HZ PHE 101 HZ PHE 101 -4.289 1.091 -6.099
829 H GLU 102 H GLU 102 -1.405 5.143 -7.952
830 HA GLU 102 HA GLU 102 -0.926 7.394 -9.726
831 HB GLU 102 2HB GLU 102 0.692 4.954 -10.281
832 HB GLU 102 QB GLU 102 0.692 4.954 -10.281
833 HG GLU 102 2HG GLU 102 0.664 7.749 -10.950
834 HG GLU 102 QG GLU 102 0.664 7.749 -10.950
835 HE1 GLU 102 HE GLU 102 2.250 9.376 -9.364
836 H GLN 103 H GLN 103 -0.195 5.211 -11.824
837 HA GLN 103 HA GLN 103 -2.717 3.845 -12.037
838 HB GLN 103 2HB GLN 103 -3.101 4.699 -14.368
839 HB GLN 103 QB GLN 103 -3.101 4.699 -14.368
840 HG GLN 103 2HG GLN 103 -2.976 6.771 -12.129
841 HG GLN 103 QG GLN 103 -2.976 6.771 -12.129
842 1HE2 GLN 103 2HE2 GLN 103 -5.694 7.985 -14.799
843 2HE2 GLN 103 1HE2 GLN 103 -5.862 6.675 -13.678
844 H SER 104 H SER 104 -1.429 1.930 -11.787
845 HA SER 104 HA SER 104 -0.049 0.336 -12.353
846 HB SER 104 2HB SER 104 -1.109 1.134 -15.093
847 HB SER 104 QB SER 104 -1.109 1.134 -15.093
848 HG SER 104 HG SER 104 0.040 -0.440 -15.963
849 H GLU 105 H GLU 105 0.389 2.781 -15.025
850 HA GLU 105 HA GLU 105 2.836 2.343 -15.799
851 HB GLU 105 2HB GLU 105 1.832 5.115 -15.016
852 HB GLU 105 QB GLU 105 1.832 5.115 -15.016
853 HG GLU 105 2HG GLU 105 4.226 4.153 -16.415
854 HG GLU 105 QG GLU 105 4.226 4.153 -16.415
855 HE1 GLU 105 HE GLU 105 3.916 3.837 -18.703
856 H GLN 106 H GLN 106 1.946 3.534 -12.568
857 HA GLN 106 HA GLN 106 4.445 4.443 -11.805
858 HB GLN 106 2HB GLN 106 1.991 3.463 -10.347
859 HB GLN 106 QB GLN 106 1.991 3.463 -10.347
860 HG GLN 106 2HG GLN 106 4.755 3.873 -9.206
861 HG GLN 106 QG GLN 106 4.755 3.873 -9.206
862 1HE2 GLN 106 2HE2 GLN 106 3.361 6.616 -7.381
863 2HE2 GLN 106 1HE2 GLN 106 4.177 6.194 -8.849
864 H GLN 107 H GLN 107 3.427 1.293 -12.635
865 HA GLN 107 HA GLN 107 4.373 -0.465 -10.963
866 HB GLN 107 2HB GLN 107 3.703 -0.624 -13.533
867 HB GLN 107 QB GLN 107 3.703 -0.624 -13.533
868 HG GLN 107 2HG GLN 107 6.736 -0.991 -13.598
869 HG GLN 107 QG GLN 107 6.736 -0.991 -13.598
870 1HE2 GLN 107 2HE2 GLN 107 6.592 -2.259 -16.886
871 2HE2 GLN 107 1HE2 GLN 107 7.535 -1.397 -15.715
872 H ALA 108 H ALA 108 6.378 1.896 -12.730
873 HA ALA 108 HA ALA 108 8.835 0.657 -11.873
874 1HB ALA 108 2HB ALA 108 8.379 1.928 -14.075
875 2HB ALA 108 3HB ALA 108 8.485 3.410 -13.093
876 3HB ALA 108 1HB ALA 108 9.883 2.314 -13.204
877 H LEU 109 H LEU 109 7.033 3.747 -11.229
878 HA LEU 109 HA LEU 109 8.772 4.648 -9.250
879 HB LEU 109 2HB LEU 109 6.090 5.511 -8.750
880 HB LEU 109 QB LEU 109 6.090 5.511 -8.750
881 HG LEU 109 HG LEU 109 8.606 6.732 -9.775
882 1HD1 LEU 109 2HD1 LEU 109 6.638 7.338 -11.359
883 2HD1 LEU 109 3HD1 LEU 109 6.073 8.336 -9.999
884 3HD1 LEU 109 1HD1 LEU 109 7.675 8.635 -10.716
885 1HD2 LEU 109 1HD2 LEU 109 7.790 6.619 -7.344
886 2HD2 LEU 109 2HD2 LEU 109 8.374 8.185 -7.957
887 3HD2 LEU 109 3HD2 LEU 109 6.626 7.881 -7.812
888 H LEU 110 H LEU 110 6.372 2.097 -9.271
889 HA LEU 110 HA LEU 110 5.491 1.984 -6.721
890 HB LEU 110 2HB LEU 110 5.777 -0.590 -7.099
891 HB LEU 110 QB LEU 110 5.777 -0.590 -7.099
892 HG LEU 110 HG LEU 110 4.128 0.978 -9.098
893 1HD1 LEU 110 3HD1 LEU 110 4.572 -1.670 -9.145
894 2HD1 LEU 110 1HD1 LEU 110 3.214 -1.622 -7.994
895 3HD1 LEU 110 2HD1 LEU 110 3.026 -0.927 -9.621
896 1HD2 LEU 110 2HD2 LEU 110 3.519 0.209 -6.235
897 2HD2 LEU 110 3HD2 LEU 110 3.575 1.840 -6.946
898 3HD2 LEU 110 1HD2 LEU 110 2.284 0.709 -7.415
899 H THR 111 H THR 111 8.727 0.968 -7.953
900 HA THR 111 HA THR 111 9.723 -0.185 -5.671
901 HB THR 111 HB THR 111 10.659 0.851 -8.205
902 HG1 THR 111 1HG THR 111 12.033 -0.674 -6.119
903 1HG2 THR 111 3HG2 THR 111 12.445 1.419 -5.779
904 2HG2 THR 111 1HG2 THR 111 13.005 1.393 -7.469
905 3HG2 THR 111 2HG2 THR 111 11.842 2.632 -6.935
906 H LEU 112 H LEU 112 8.501 2.972 -5.954
907 HA LEU 112 HA LEU 112 8.242 4.259 -4.046
908 HB LEU 112 2HB LEU 112 9.745 2.502 -2.844
909 HB LEU 112 QB LEU 112 9.745 2.502 -2.844
910 HG LEU 112 HG LEU 112 11.917 2.896 -2.454
911 1HD1 LEU 112 2HD1 LEU 112 11.263 3.699 -5.116
912 2HD1 LEU 112 3HD1 LEU 112 12.613 4.704 -4.535
913 3HD1 LEU 112 1HD1 LEU 112 12.748 2.930 -4.507
914 1HD2 LEU 112 1HD2 LEU 112 11.139 5.140 -1.363
915 2HD2 LEU 112 2HD2 LEU 112 12.853 4.886 -1.765
916 3HD2 LEU 112 3HD2 LEU 112 11.825 5.871 -2.832
917 H GLY 113 H GLY 113 9.419 4.473 -6.847
918 1HA GLY 113 1HA GLY 113 10.515 5.972 -8.134
919 2HA GLY 113 2HA GLY 113 9.795 7.144 -7.049
920 H VAL 114 H VAL 114 12.445 4.674 -6.680
921 HA VAL 114 HA VAL 114 14.569 6.392 -6.714
922 HB VAL 114 HB VAL 114 13.006 6.560 -4.241
923 1HG1 VAL 114 2HG1 VAL 114 15.879 5.703 -4.168
924 2HG1 VAL 114 3HG1 VAL 114 15.299 6.880 -2.964
925 3HG1 VAL 114 1HG1 VAL 114 14.532 5.279 -3.085
926 1HG2 VAL 114 2HG2 VAL 114 14.244 8.293 -6.031
927 2HG2 VAL 114 3HG2 VAL 114 13.520 8.729 -4.464
928 3HG2 VAL 114 1HG2 VAL 114 15.263 8.386 -4.574
929 H ALA 115 H ALA 115 15.374 4.501 -7.739
930 HA ALA 115 HA ALA 115 17.000 2.886 -6.383
931 1HB ALA 115 3HB ALA 115 14.231 2.123 -5.836
932 2HB ALA 115 1HB ALA 115 15.157 0.784 -6.558
933 3HB ALA 115 2HB ALA 115 15.736 1.565 -5.067
934 H SER 116 H SER 116 18.118 3.099 -8.343
935 HA SER 116 HA SER 116 18.617 2.798 -10.446
936 HB SER 116 2HB SER 116 17.248 0.107 -10.003
937 HB SER 116 QB SER 116 17.248 0.107 -10.003
938 HG SER 116 HG SER 116 18.095 0.849 -12.253
No H/Q in entry = 795
Start of MODEL 22
1 H SER 1 H SER 1 -10.596 -17.035 -0.835
2 HA SER 1 HA SER 1 -11.662 -14.803 -0.336
3 HB SER 1 2HB SER 1 -9.764 -14.935 1.819
4 HB SER 1 QB SER 1 -9.764 -14.935 1.819
5 HG SER 1 HG SER 1 -12.468 -15.633 1.323
6 H LEU 2 H LEU 2 -8.158 -14.780 0.601
7 HA LEU 2 HA LEU 2 -7.760 -12.368 -0.960
8 HB LEU 2 2HB LEU 2 -7.705 -12.473 2.042
9 HB LEU 2 QB LEU 2 -7.705 -12.473 2.042
10 HG LEU 2 HG LEU 2 -5.601 -11.326 0.764
11 1HD1 LEU 2 2HD1 LEU 2 -7.896 -9.473 0.476
12 2HD1 LEU 2 3HD1 LEU 2 -6.376 -8.761 1.069
13 3HD1 LEU 2 1HD1 LEU 2 -6.405 -9.627 -0.485
14 1HD2 LEU 2 1HD2 LEU 2 -6.959 -10.995 3.346
15 2HD2 LEU 2 2HD2 LEU 2 -5.238 -11.251 2.969
16 3HD2 LEU 2 3HD2 LEU 2 -5.935 -9.615 2.882
17 H GLY 3 H GLY 3 -5.634 -12.138 -1.655
18 1HA GLY 3 1HA GLY 3 -3.902 -14.429 -1.039
19 2HA GLY 3 2HA GLY 3 -3.792 -13.363 -2.425
20 H ILE 4 H ILE 4 -1.444 -13.257 -1.787
21 HA ILE 4 HA ILE 4 -0.818 -10.846 -0.641
22 HB ILE 4 HB ILE 4 -1.667 -12.403 1.383
23 HG1 ILE 4 2HG1 ILE 4 -0.072 -10.893 2.807
24 HG1 ILE 4 QG1 ILE 4 -0.072 -10.893 2.807
25 1HG2 ILE 4 2HG2 ILE 4 0.162 -14.043 0.982
26 2HG2 ILE 4 3HG2 ILE 4 1.339 -12.773 1.392
27 3HG2 ILE 4 1HG2 ILE 4 0.173 -13.333 2.614
28 1HD1 ILE 4 2HD1 ILE 4 1.435 -10.484 0.752
29 2HD1 ILE 4 3HD1 ILE 4 0.108 -9.484 0.116
30 3HD1 ILE 4 1HD1 ILE 4 0.903 -9.039 1.645
31 H ASP 5 H ASP 5 1.317 -10.351 -1.117
32 HA ASP 5 HA ASP 5 3.108 -12.548 -1.584
33 HB ASP 5 2HB ASP 5 3.124 -10.535 -3.781
34 HB ASP 5 QB ASP 5 3.124 -10.535 -3.781
35 HD1 ASP 5 HD ASP 5 5.113 -11.664 -4.053
36 H MET 6 H MET 6 5.326 -11.845 -1.341
37 HA MET 6 HA MET 6 5.645 -8.981 -0.902
38 HB MET 6 2HB MET 6 7.378 -9.814 0.919
39 HB MET 6 QB MET 6 7.378 -9.814 0.919
40 HG MET 6 2HG MET 6 4.355 -10.055 1.268
41 HG MET 6 QG MET 6 4.355 -10.055 1.268
42 1HE MET 6 1HE MET 6 6.482 -8.117 3.248
43 2HE MET 6 2HE MET 6 6.006 -8.629 4.886
44 3HE MET 6 3HE MET 6 7.525 -9.225 4.173
45 H ASN 7 H ASN 7 7.498 -8.067 -1.795
46 HA ASN 7 HA ASN 7 9.519 -9.920 -2.729
47 HB ASN 7 2HB ASN 7 9.194 -7.790 -4.681
48 HB ASN 7 QB ASN 7 9.194 -7.790 -4.681
49 1HD2 ASN 7 2HD2 ASN 7 10.815 -10.588 -6.106
50 2HD2 ASN 7 1HD2 ASN 7 11.017 -9.108 -5.229
51 H VAL 8 H VAL 8 11.646 -8.951 -2.711
52 HA VAL 8 HA VAL 8 11.700 -6.219 -1.631
53 HB VAL 8 HB VAL 8 12.621 -8.542 -0.498
54 1HG1 VAL 8 2HG1 VAL 8 14.966 -7.153 -1.838
55 2HG1 VAL 8 3HG1 VAL 8 15.106 -8.354 -0.530
56 3HG1 VAL 8 1HG1 VAL 8 14.413 -8.826 -2.101
57 1HG2 VAL 8 2HG2 VAL 8 12.991 -5.636 -0.084
58 2HG2 VAL 8 3HG2 VAL 8 12.451 -6.900 1.046
59 3HG2 VAL 8 1HG2 VAL 8 14.187 -6.678 0.724
60 H LYS 9 H LYS 9 13.006 -4.684 -2.625
61 HA LYS 9 HA LYS 9 14.732 -5.598 -4.780
62 HB LYS 9 2HB LYS 9 13.562 -4.748 -6.489
63 HB LYS 9 QB LYS 9 13.562 -4.748 -6.489
64 HG LYS 9 2HG LYS 9 11.047 -4.340 -5.933
65 HG LYS 9 QG LYS 9 11.047 -4.340 -5.933
66 HD LYS 9 2HD LYS 9 11.331 -6.971 -4.838
67 HD LYS 9 QD LYS 9 11.331 -6.971 -4.838
68 HE LYS 9 2HE LYS 9 10.097 -5.711 -7.021
69 HE LYS 9 QE LYS 9 10.097 -5.711 -7.021
70 1HZ LYS 9 1HZ LYS 9 11.860 -7.859 -8.059
71 2HZ LYS 9 2HZ LYS 9 10.836 -6.931 -8.921
72 H GLU 10 H GLU 10 16.649 -4.877 -3.980
73 HA GLU 10 HA GLU 10 18.193 -3.509 -3.304
74 HB GLU 10 2HB GLU 10 16.257 -1.519 -4.497
75 HB GLU 10 QB GLU 10 16.257 -1.519 -4.497
76 HG GLU 10 2HG GLU 10 18.527 -0.938 -2.644
77 HG GLU 10 QG GLU 10 18.527 -0.938 -2.644
78 HE2 GLU 10 HE GLU 10 20.517 0.484 -5.026
79 H SER 11 H SER 11 14.916 -3.091 -2.099
80 HA SER 11 HA SER 11 15.425 -3.276 0.471
81 HB SER 11 2HB SER 11 16.644 -1.483 1.123
82 HB SER 11 QB SER 11 16.644 -1.483 1.123
83 HG SER 11 HG SER 11 17.469 -0.200 -0.382
84 H VAL 12 H VAL 12 13.591 -2.386 -2.197
85 HA VAL 12 HA VAL 12 11.345 -1.313 -0.729
86 HB VAL 12 HB VAL 12 12.063 -0.553 -3.004
87 1HG1 VAL 12 3HG1 VAL 12 12.348 -3.115 -3.685
88 2HG1 VAL 12 1HG1 VAL 12 10.666 -2.897 -4.223
89 3HG1 VAL 12 2HG1 VAL 12 11.953 -1.859 -4.881
90 1HG2 VAL 12 3HG2 VAL 12 9.776 -0.190 -2.039
91 2HG2 VAL 12 1HG2 VAL 12 9.823 -0.223 -3.818
92 3HG2 VAL 12 2HG2 VAL 12 9.232 -1.640 -2.916
93 H LEU 13 H LEU 13 9.793 -2.529 0.217
94 HA LEU 13 HA LEU 13 9.808 -5.381 -0.392
95 HB LEU 13 2HB LEU 13 9.566 -5.632 1.776
96 HB LEU 13 QB LEU 13 9.566 -5.632 1.776
97 HG LEU 13 HG LEU 13 10.500 -3.097 1.775
98 1HD1 LEU 13 1HD1 LEU 13 8.020 -2.350 1.778
99 2HD1 LEU 13 2HD1 LEU 13 8.050 -2.808 3.498
100 3HD1 LEU 13 3HD1 LEU 13 9.164 -1.559 2.891
101 1HD2 LEU 13 2HD2 LEU 13 10.205 -5.221 3.637
102 2HD2 LEU 13 3HD2 LEU 13 11.392 -3.895 3.639
103 3HD2 LEU 13 1HD2 LEU 13 9.842 -3.701 4.491
104 H CYS 14 H CYS 14 8.637 -5.685 -2.262
105 HA CYS 14 HA CYS 14 6.296 -4.174 -2.776
106 HB CYS 14 2HB CYS 14 6.263 -5.198 -4.831
107 HB CYS 14 QB CYS 14 6.263 -5.198 -4.831
108 HG CYS 14 HG CYS 14 8.709 -4.089 -3.981
109 H ILE 15 H ILE 15 4.184 -4.648 -2.180
110 HA ILE 15 HA ILE 15 3.758 -7.280 -0.942
111 HB ILE 15 HB ILE 15 3.144 -4.540 -0.018
112 HG1 ILE 15 2HG1 ILE 15 3.494 -7.131 1.511
113 HG1 ILE 15 QG1 ILE 15 3.494 -7.131 1.511
114 1HG2 ILE 15 3HG2 ILE 15 1.128 -6.761 0.022
115 2HG2 ILE 15 1HG2 ILE 15 1.237 -5.636 1.397
116 3HG2 ILE 15 2HG2 ILE 15 0.900 -5.015 -0.237
117 1HD1 ILE 15 1HD1 ILE 15 5.467 -5.237 0.250
118 2HD1 ILE 15 2HD1 ILE 15 5.837 -5.886 1.865
119 3HD1 ILE 15 3HD1 ILE 15 5.584 -6.996 0.496
120 H ARG 16 H ARG 16 2.921 -8.359 -2.723
121 HA ARG 16 HA ARG 16 0.742 -7.017 -4.079
122 HB ARG 16 2HB ARG 16 1.230 -9.529 -5.317
123 HB ARG 16 QB ARG 16 1.230 -9.529 -5.317
124 HG ARG 16 2HG ARG 16 1.662 -6.644 -5.895
125 HG ARG 16 QG ARG 16 1.662 -6.644 -5.895
126 HD ARG 16 2HD ARG 16 3.305 -8.831 -7.248
127 HD ARG 16 QD ARG 16 3.305 -8.831 -7.248
128 HE ARG 16 HE ARG 16 3.286 -6.143 -8.428
129 1HH1 ARG 16 2HH2 ARG 16 1.873 -9.389 -8.574
130 2HH1 ARG 16 1HH2 ARG 16 1.366 -9.229 -10.222
131 HH2 ARG 16 1HH ARG 16 1.815 -7.188 -11.395
132 H LEU 17 H LEU 17 -1.221 -7.401 -3.073
133 HA LEU 17 HA LEU 17 -1.725 -10.170 -2.224
134 HB LEU 17 2HB LEU 17 -1.451 -8.405 -0.412
135 HB LEU 17 QB LEU 17 -1.451 -8.405 -0.412
136 HG LEU 17 HG LEU 17 -3.392 -7.129 0.228
137 1HD1 LEU 17 3HD1 LEU 17 -1.686 -6.038 -1.186
138 2HD1 LEU 17 1HD1 LEU 17 -2.647 -6.443 -2.629
139 3HD1 LEU 17 2HD1 LEU 17 -3.309 -5.339 -1.400
140 1HD2 LEU 17 2HD2 LEU 17 -4.809 -8.816 -1.458
141 2HD2 LEU 17 3HD2 LEU 17 -5.445 -7.398 -0.591
142 3HD2 LEU 17 1HD2 LEU 17 -4.885 -7.235 -2.273
143 H THR 18 H THR 18 -3.594 -11.147 -2.961
144 HA THR 18 HA THR 18 -5.329 -9.454 -4.635
145 HB THR 18 HB THR 18 -5.523 -11.851 -5.860
146 HG1 THR 18 1HG THR 18 -2.845 -11.656 -4.674
147 1HG2 THR 18 2HG2 THR 18 -4.525 -9.667 -6.827
148 2HG2 THR 18 3HG2 THR 18 -2.956 -10.226 -6.198
149 3HG2 THR 18 1HG2 THR 18 -3.810 -11.179 -7.435
150 H GLY 19 H GLY 19 -7.333 -9.286 -3.873
151 1HA GLY 19 1HA GLY 19 -9.032 -11.332 -3.280
152 2HA GLY 19 2HA GLY 19 -8.226 -11.012 -1.757
153 H GLU 20 H GLU 20 -9.499 -9.756 -0.468
154 HA GLU 20 HA GLU 20 -10.816 -7.511 -1.790
155 HB GLU 20 2HB GLU 20 -12.270 -7.998 0.553
156 HB GLU 20 QB GLU 20 -12.270 -7.998 0.553
157 HG GLU 20 2HG GLU 20 -12.819 -7.664 -2.104
158 HG GLU 20 QG GLU 20 -12.819 -7.664 -2.104
159 HE2 GLU 20 HE GLU 20 -14.482 -11.190 -2.417
160 H LEU 21 H LEU 21 -11.102 -5.552 -0.413
161 HA LEU 21 HA LEU 21 -8.983 -5.426 1.617
162 HB LEU 21 2HB LEU 21 -9.249 -2.879 1.002
163 HB LEU 21 QB LEU 21 -9.249 -2.879 1.002
164 HG LEU 21 HG LEU 21 -7.853 -4.647 -1.016
165 1HD1 LEU 21 1HD1 LEU 21 -7.596 -1.777 -0.157
166 2HD1 LEU 21 2HD1 LEU 21 -6.208 -2.646 -0.854
167 3HD1 LEU 21 3HD1 LEU 21 -7.710 -2.468 -1.792
168 1HD2 LEU 21 1HD2 LEU 21 -7.330 -4.336 1.851
169 2HD2 LEU 21 2HD2 LEU 21 -6.728 -5.545 0.693
170 3HD2 LEU 21 3HD2 LEU 21 -5.928 -3.960 0.823
171 H ASP 22 H ASP 22 -10.251 -6.070 3.396
172 HA ASP 22 HA ASP 22 -12.112 -4.010 4.199
173 HB ASP 22 2HB ASP 22 -13.933 -5.352 4.085
174 HB ASP 22 QB ASP 22 -13.933 -5.352 4.085
175 HD1 ASP 22 HD ASP 22 -11.572 -6.724 1.826
176 H HIS 23 H HIS 23 -12.679 -4.401 6.669
177 HA HIS 23 HA HIS 23 -10.464 -4.374 8.180
178 HB HIS 23 2HB HIS 23 -12.983 -3.950 8.726
179 HB HIS 23 QB HIS 23 -12.983 -3.950 8.726
180 HD1 HIS 23 1HD HIS 23 -12.186 -6.606 11.229
181 HD2 HIS 23 2HD HIS 23 -14.834 -6.029 8.026
182 HE1 HIS 23 1HE HIS 23 -13.956 -8.434 11.427
183 H HIS 24 H HIS 24 -12.059 -7.195 6.774
184 HA HIS 24 HA HIS 24 -10.788 -9.069 8.488
185 HB HIS 24 2HB HIS 24 -11.511 -10.553 6.365
186 HB HIS 24 QB HIS 24 -11.511 -10.553 6.365
187 HD1 HIS 24 1HD HIS 24 -14.773 -9.300 7.086
188 HD2 HIS 24 2HD HIS 24 -11.906 -11.427 9.290
189 HE1 HIS 24 1HE HIS 24 -16.026 -10.396 9.019
190 H THR 25 H THR 25 -10.278 -7.985 5.059
191 HA THR 25 HA THR 25 -7.804 -9.457 4.916
192 HB THR 25 HB THR 25 -7.976 -8.979 2.624
193 HG1 THR 25 1HG THR 25 -7.777 -6.684 2.818
194 1HG2 THR 25 3HG2 THR 25 -10.351 -9.715 3.647
195 2HG2 THR 25 1HG2 THR 25 -10.800 -8.054 3.191
196 3HG2 THR 25 2HG2 THR 25 -10.220 -9.191 1.950
197 H ALA 26 H ALA 26 -8.867 -6.182 5.723
198 HA ALA 26 HA ALA 26 -6.398 -4.916 5.273
199 1HB ALA 26 2HB ALA 26 -8.978 -4.354 6.650
200 2HB ALA 26 3HB ALA 26 -7.571 -3.423 7.219
201 3HB ALA 26 1HB ALA 26 -8.049 -3.355 5.506
202 H GLU 27 H GLU 27 -7.493 -7.213 7.645
203 HA GLU 27 HA GLU 27 -5.827 -6.347 9.737
204 HB GLU 27 2HB GLU 27 -6.418 -9.212 9.789
205 HB GLU 27 QB GLU 27 -6.418 -9.212 9.789
206 HG GLU 27 2HG GLU 27 -6.214 -7.197 11.621
207 HG GLU 27 QG GLU 27 -6.214 -7.197 11.621
208 HE2 GLU 27 HE GLU 27 -9.133 -5.342 11.692
209 H THR 28 H THR 28 -5.550 -8.853 7.141
210 HA THR 28 HA THR 28 -3.191 -10.031 7.903
211 HB THR 28 HB THR 28 -4.153 -9.341 5.076
212 HG1 THR 28 1HG THR 28 -4.634 -11.538 6.967
213 1HG2 THR 28 1HG2 THR 28 -2.342 -11.498 6.257
214 2HG2 THR 28 2HG2 THR 28 -3.198 -11.734 4.714
215 3HG2 THR 28 3HG2 THR 28 -2.006 -10.422 4.880
216 H LEU 29 H LEU 29 -3.567 -7.112 5.782
217 HA LEU 29 HA LEU 29 -0.792 -6.702 5.595
218 HB LEU 29 2HB LEU 29 -3.252 -5.109 4.995
219 HB LEU 29 QB LEU 29 -3.252 -5.109 4.995
220 HG LEU 29 HG LEU 29 -1.875 -3.386 3.906
221 1HD1 LEU 29 1HD1 LEU 29 -2.560 -3.570 6.613
222 2HD1 LEU 29 2HD1 LEU 29 -0.905 -2.917 6.594
223 3HD1 LEU 29 3HD1 LEU 29 -2.196 -2.095 5.685
224 1HD2 LEU 29 3HD2 LEU 29 0.207 -4.954 3.947
225 2HD2 LEU 29 1HD2 LEU 29 0.419 -3.191 4.087
226 3HD2 LEU 29 2HD2 LEU 29 0.504 -4.216 5.540
227 H LYS 30 H LYS 30 -3.035 -6.287 8.179
228 HA LYS 30 HA LYS 30 -1.859 -4.031 9.398
229 HB LYS 30 2HB LYS 30 -3.196 -6.045 11.108
230 HB LYS 30 QB LYS 30 -3.196 -6.045 11.108
231 HG LYS 30 2HG LYS 30 -4.372 -3.365 10.661
232 HG LYS 30 QG LYS 30 -4.372 -3.365 10.661
233 HD LYS 30 2HD LYS 30 -4.613 -5.125 12.637
234 HD LYS 30 QD LYS 30 -4.613 -5.125 12.637
235 HE LYS 30 2HE LYS 30 -1.915 -3.922 13.049
236 HE LYS 30 QE LYS 30 -1.915 -3.922 13.049
237 1HZ LYS 30 1HZ LYS 30 -3.857 -4.156 15.286
238 2HZ LYS 30 2HZ LYS 30 -2.259 -3.916 15.474
239 H GLN 31 H GLN 31 -1.258 -7.567 9.516
240 HA GLN 31 HA GLN 31 0.523 -7.407 11.670
241 HB GLN 31 2HB GLN 31 -0.731 -9.464 10.658
242 HB GLN 31 QB GLN 31 -0.731 -9.464 10.658
243 HG GLN 31 2HG GLN 31 1.881 -9.878 9.187
244 HG GLN 31 QG GLN 31 1.881 -9.878 9.187
245 1HE2 GLN 31 1HE2 GLN 31 -1.673 -10.128 9.028
246 2HE2 GLN 31 2HE2 GLN 31 -1.756 -11.801 8.590
247 H LYS 32 H LYS 32 0.886 -7.257 8.094
248 HA LYS 32 HA LYS 32 3.693 -7.363 8.090
249 HB LYS 32 2HB LYS 32 3.100 -7.729 5.969
250 HB LYS 32 QB LYS 32 3.100 -7.729 5.969
251 HG LYS 32 2HG LYS 32 0.805 -6.234 5.307
252 HG LYS 32 QG LYS 32 0.805 -6.234 5.307
253 HD LYS 32 2HD LYS 32 -0.359 -8.511 5.760
254 HD LYS 32 QD LYS 32 -0.359 -8.511 5.760
255 HE LYS 32 2HE LYS 32 0.314 -8.259 3.521
256 HE LYS 32 QE LYS 32 0.314 -8.259 3.521
257 1HZ LYS 32 1HZ LYS 32 2.859 -8.339 3.084
258 2HZ LYS 32 2HZ LYS 32 2.215 -6.938 3.608
259 H VAL 33 H VAL 33 1.519 -5.024 9.299
260 HA VAL 33 HA VAL 33 3.013 -2.703 8.619
261 HB VAL 33 HB VAL 33 1.045 -3.107 10.876
262 1HG1 VAL 33 1HG1 VAL 33 2.359 -0.769 9.611
263 2HG1 VAL 33 2HG1 VAL 33 0.614 -0.604 9.918
264 3HG1 VAL 33 3HG1 VAL 33 1.720 -0.980 11.260
265 1HG2 VAL 33 2HG2 VAL 33 0.562 -2.626 7.925
266 2HG2 VAL 33 3HG2 VAL 33 -0.085 -3.926 8.954
267 3HG2 VAL 33 1HG2 VAL 33 -0.647 -2.252 9.177
268 H THR 34 H THR 34 2.598 -4.600 11.695
269 HA THR 34 HA THR 34 4.460 -3.215 13.189
270 HB THR 34 HB THR 34 2.987 -4.755 14.284
271 HG1 THR 34 1HG THR 34 4.926 -5.103 15.350
272 1HG2 THR 34 1HG2 THR 34 4.067 -6.792 12.277
273 2HG2 THR 34 2HG2 THR 34 3.232 -7.277 13.772
274 3HG2 THR 34 3HG2 THR 34 2.370 -6.324 12.541
275 H GLN 35 H GLN 35 4.952 -5.855 10.810
276 HA GLN 35 HA GLN 35 7.621 -6.270 11.460
277 HB GLN 35 2HB GLN 35 7.667 -7.169 9.001
278 HB GLN 35 QB GLN 35 7.667 -7.169 9.001
279 HG GLN 35 2HG GLN 35 6.068 -8.137 11.350
280 HG GLN 35 QG GLN 35 6.068 -8.137 11.350
281 1HE2 GLN 35 2HE2 GLN 35 3.572 -9.291 9.063
282 2HE2 GLN 35 1HE2 GLN 35 4.041 -7.949 10.053
283 H SER 36 H SER 36 6.006 -4.126 9.036
284 HA SER 36 HA SER 36 8.484 -3.170 8.065
285 HB SER 36 2HB SER 36 6.045 -1.509 7.653
286 HB SER 36 QB SER 36 6.045 -1.509 7.653
287 HG SER 36 HG SER 36 8.080 -1.429 6.363
288 H LEU 37 H LEU 37 6.334 -2.414 10.736
289 HA LEU 37 HA LEU 37 6.805 0.271 11.106
290 HB LEU 37 2HB LEU 37 6.746 -1.061 13.630
291 HB LEU 37 QB LEU 37 6.746 -1.061 13.630
292 HG LEU 37 HG LEU 37 4.439 -0.252 13.777
293 1HD1 LEU 37 2HD1 LEU 37 6.494 1.235 14.117
294 2HD1 LEU 37 3HD1 LEU 37 6.084 1.952 12.540
295 3HD1 LEU 37 1HD1 LEU 37 4.923 2.038 13.886
296 1HD2 LEU 37 3HD2 LEU 37 4.252 -0.631 11.111
297 2HD2 LEU 37 1HD2 LEU 37 3.149 0.404 12.048
298 3HD2 LEU 37 2HD2 LEU 37 4.510 1.129 11.159
299 H GLU 38 H GLU 38 8.896 -2.549 11.703
300 HA GLU 38 HA GLU 38 11.128 -0.832 11.854
301 HB GLU 38 2HB GLU 38 11.758 -1.993 14.198
302 HB GLU 38 QB GLU 38 11.758 -1.993 14.198
303 HG GLU 38 2HG GLU 38 10.943 0.575 13.363
304 HG GLU 38 QG GLU 38 10.943 0.575 13.363
305 HE2 GLU 38 HE GLU 38 9.535 2.217 14.851
306 H LYS 39 H LYS 39 11.329 -2.315 9.929
307 HA LYS 39 HA LYS 39 11.712 -5.094 10.414
308 HB LYS 39 2HB LYS 39 12.493 -3.478 7.973
309 HB LYS 39 QB LYS 39 12.493 -3.478 7.973
310 HG LYS 39 2HG LYS 39 13.289 -5.897 8.199
311 HG LYS 39 QG LYS 39 13.289 -5.897 8.199
312 HD LYS 39 2HD LYS 39 10.954 -7.274 7.481
313 HD LYS 39 QD LYS 39 10.954 -7.274 7.481
314 HE LYS 39 2HE LYS 39 11.397 -7.552 10.322
315 HE LYS 39 QE LYS 39 11.397 -7.552 10.322
316 1HZ LYS 39 1HZ LYS 39 10.971 -9.437 8.973
317 2HZ LYS 39 2HZ LYS 39 12.166 -9.104 7.919
318 H ASP 40 H ASP 40 13.873 -2.255 9.810
319 HA ASP 40 HA ASP 40 15.800 -3.075 11.536
320 HB ASP 40 2HB ASP 40 17.520 -3.630 9.494
321 HB ASP 40 QB ASP 40 17.520 -3.630 9.494
322 HD1 ASP 40 HD ASP 40 17.507 -6.046 12.085
323 H ASP 41 H ASP 41 16.833 -2.396 8.181
324 HA ASP 41 HA ASP 41 17.758 0.164 8.998
325 HB ASP 41 2HB ASP 41 17.701 -0.796 6.125
326 HB ASP 41 QB ASP 41 17.701 -0.796 6.125
327 HD1 ASP 41 HD ASP 41 20.319 0.214 8.411
328 H ILE 42 H ILE 42 17.284 1.078 6.021
329 HA ILE 42 HA ILE 42 14.479 1.867 6.400
330 HB ILE 42 HB ILE 42 16.835 3.432 6.126
331 HG1 ILE 42 2HG1 ILE 42 13.997 4.455 6.031
332 HG1 ILE 42 QG1 ILE 42 13.997 4.455 6.031
333 1HG2 ILE 42 2HG2 ILE 42 14.991 3.538 3.737
334 2HG2 ILE 42 3HG2 ILE 42 15.994 4.920 4.238
335 3HG2 ILE 42 1HG2 ILE 42 16.764 3.383 3.774
336 1HD1 ILE 42 3HD1 ILE 42 15.364 2.836 8.128
337 2HD1 ILE 42 1HD1 ILE 42 14.618 4.349 8.696
338 3HD1 ILE 42 2HD1 ILE 42 13.628 3.126 7.865
339 H ARG 43 H ARG 43 13.514 0.192 5.229
340 HA ARG 43 HA ARG 43 14.567 -0.388 2.637
341 HB ARG 43 2HB ARG 43 12.169 -1.759 2.787
342 HB ARG 43 QB ARG 43 12.169 -1.759 2.787
343 HG ARG 43 2HG ARG 43 13.983 -3.153 2.407
344 HG ARG 43 QG ARG 43 13.983 -3.153 2.407
345 HD ARG 43 2HD ARG 43 15.348 -1.389 4.432
346 HD ARG 43 QD ARG 43 15.348 -1.389 4.432
347 HE ARG 43 HE ARG 43 15.702 -4.155 4.639
348 1HH1 ARG 43 2HH2 ARG 43 17.771 -1.415 3.765
349 2HH1 ARG 43 1HH2 ARG 43 19.223 -2.172 4.332
350 HH2 ARG 43 1HH ARG 43 19.108 -4.369 5.282
351 H HIS 44 H HIS 44 12.144 -0.935 1.200
352 HA HIS 44 HA HIS 44 10.860 1.690 1.110
353 HB HIS 44 2HB HIS 44 10.857 1.394 -1.427
354 HB HIS 44 QB HIS 44 10.857 1.394 -1.427
355 HD1 HIS 44 1HD HIS 44 11.891 3.503 0.632
356 HD2 HIS 44 2HD HIS 44 14.322 1.430 -2.086
357 HE1 HIS 44 1HE HIS 44 13.981 4.931 0.309
358 H ILE 45 H ILE 45 8.696 1.632 0.028
359 HA ILE 45 HA ILE 45 7.467 -0.986 0.508
360 HB ILE 45 HB ILE 45 5.654 0.045 1.343
361 HG1 ILE 45 2HG1 ILE 45 5.017 2.453 0.653
362 HG1 ILE 45 QG1 ILE 45 5.017 2.453 0.653
363 1HG2 ILE 45 2HG2 ILE 45 7.906 2.012 1.726
364 2HG2 ILE 45 3HG2 ILE 45 6.311 2.253 2.478
365 3HG2 ILE 45 1HG2 ILE 45 7.265 0.800 2.860
366 1HD1 ILE 45 2HD1 ILE 45 7.441 2.114 -0.853
367 2HD1 ILE 45 3HD1 ILE 45 6.083 2.141 -2.004
368 3HD1 ILE 45 1HD1 ILE 45 6.318 3.495 -0.873
369 H VAL 46 H VAL 46 5.740 -1.676 -0.990
370 HA VAL 46 HA VAL 46 5.526 -0.333 -3.500
371 HB VAL 46 HB VAL 46 7.412 -2.582 -3.126
372 1HG1 VAL 46 3HG1 VAL 46 5.591 -3.718 -4.325
373 2HG1 VAL 46 1HG1 VAL 46 5.608 -2.444 -5.567
374 3HG1 VAL 46 2HG1 VAL 46 7.020 -3.508 -5.364
375 1HG2 VAL 46 1HG2 VAL 46 7.900 -0.154 -3.850
376 2HG2 VAL 46 2HG2 VAL 46 8.670 -1.471 -4.767
377 3HG2 VAL 46 3HG2 VAL 46 7.245 -0.638 -5.433
378 H LEU 47 H LEU 47 3.307 -0.355 -2.773
379 HA LEU 47 HA LEU 47 2.092 -2.949 -2.383
380 HB LEU 47 2HB LEU 47 0.131 -1.733 -1.779
381 HB LEU 47 QB LEU 47 0.131 -1.733 -1.779
382 HG LEU 47 HG LEU 47 2.575 -0.308 -0.695
383 1HD1 LEU 47 3HD1 LEU 47 0.635 1.145 -0.473
384 2HD1 LEU 47 1HD1 LEU 47 -0.294 -0.175 0.275
385 3HD1 LEU 47 2HD1 LEU 47 1.123 0.502 1.114
386 1HD2 LEU 47 1HD2 LEU 47 1.974 -2.889 -0.331
387 2HD2 LEU 47 2HD2 LEU 47 2.703 -1.876 0.939
388 3HD2 LEU 47 3HD2 LEU 47 0.950 -2.186 0.944
389 H ASN 48 H ASN 48 0.243 -3.684 -3.680
390 HA ASN 48 HA ASN 48 -0.426 -2.417 -6.057
391 HB ASN 48 2HB ASN 48 1.727 -4.557 -6.194
392 HB ASN 48 QB ASN 48 1.727 -4.557 -6.194
393 1HD2 ASN 48 2HD2 ASN 48 -0.498 -6.336 -8.337
394 2HD2 ASN 48 1HD2 ASN 48 0.035 -6.166 -6.698
395 H LEU 49 H LEU 49 -2.576 -3.102 -5.988
396 HA LEU 49 HA LEU 49 -3.098 -5.834 -5.098
397 HB LEU 49 2HB LEU 49 -5.477 -4.333 -5.521
398 HB LEU 49 QB LEU 49 -5.477 -4.333 -5.521
399 HG LEU 49 HG LEU 49 -4.186 -5.753 -3.334
400 1HD1 LEU 49 2HD1 LEU 49 -5.612 -3.168 -2.662
401 2HD1 LEU 49 3HD1 LEU 49 -5.305 -4.482 -1.502
402 3HD1 LEU 49 1HD1 LEU 49 -3.940 -3.625 -2.258
403 1HD2 LEU 49 2HD2 LEU 49 -6.829 -5.401 -4.542
404 2HD2 LEU 49 3HD2 LEU 49 -6.095 -6.825 -3.767
405 3HD2 LEU 49 1HD2 LEU 49 -6.876 -5.573 -2.771
406 H GLU 50 H GLU 50 -3.511 -7.408 -6.549
407 HA GLU 50 HA GLU 50 -3.931 -6.568 -9.277
408 HB GLU 50 2HB GLU 50 -3.875 -9.460 -8.860
409 HB GLU 50 QB GLU 50 -3.875 -9.460 -8.860
410 HG GLU 50 2HG GLU 50 -1.514 -8.046 -9.994
411 HG GLU 50 QG GLU 50 -1.514 -8.046 -9.994
412 HE2 GLU 50 HE GLU 50 -0.609 -9.620 -10.993
413 H ASP 51 H ASP 51 -5.683 -7.789 -6.508
414 HA ASP 51 HA ASP 51 -7.961 -8.256 -8.269
415 HB ASP 51 2HB ASP 51 -7.173 -9.622 -5.660
416 HB ASP 51 QB ASP 51 -7.173 -9.622 -5.660
417 HD1 ASP 51 HD ASP 51 -10.659 -9.335 -7.243
418 H LEU 52 H LEU 52 -7.995 -5.741 -7.790
419 HA LEU 52 HA LEU 52 -8.931 -5.132 -5.107
420 HB LEU 52 2HB LEU 52 -8.642 -3.143 -7.327
421 HB LEU 52 QB LEU 52 -8.642 -3.143 -7.327
422 HG LEU 52 HG LEU 52 -8.329 -1.558 -5.739
423 1HD1 LEU 52 1HD1 LEU 52 -10.488 -2.940 -5.271
424 2HD1 LEU 52 2HD1 LEU 52 -9.639 -3.424 -3.784
425 3HD1 LEU 52 3HD1 LEU 52 -9.958 -1.702 -4.107
426 1HD2 LEU 52 1HD2 LEU 52 -6.253 -2.610 -4.893
427 2HD2 LEU 52 2HD2 LEU 52 -7.219 -1.835 -3.615
428 3HD2 LEU 52 3HD2 LEU 52 -7.235 -3.606 -3.793
429 H SER 53 H SER 53 -11.036 -5.551 -4.694
430 HA SER 53 HA SER 53 -12.906 -4.733 -6.774
431 HB SER 53 2HB SER 53 -12.877 -7.281 -5.125
432 HB SER 53 QB SER 53 -12.877 -7.281 -5.125
433 HG SER 53 HG SER 53 -15.116 -6.111 -6.546
434 H PHE 54 H PHE 54 -13.604 -6.216 -3.573
435 HA PHE 54 HA PHE 54 -15.495 -4.450 -2.797
436 HB PHE 54 2HB PHE 54 -13.325 -5.992 -1.266
437 HB PHE 54 QB PHE 54 -13.325 -5.992 -1.266
438 HD1 PHE 54 1HD PHE 54 -16.880 -5.541 -0.397
439 HD2 PHE 54 2HD PHE 54 -12.867 -4.623 0.632
440 HE1 PHE 54 1HE PHE 54 -17.650 -4.659 1.823
441 HE2 PHE 54 2HE PHE 54 -13.637 -3.741 2.852
442 HZ PHE 54 HZ PHE 54 -16.020 -3.770 3.421
443 H MET 55 H MET 55 -12.244 -4.382 -1.196
444 HA MET 55 HA MET 55 -11.321 -2.697 -0.094
445 HB MET 55 2HB MET 55 -11.442 -2.079 -3.033
446 HB MET 55 QB MET 55 -11.442 -2.079 -3.033
447 HG MET 55 2HG MET 55 -9.750 -0.077 -1.903
448 HG MET 55 QG MET 55 -9.750 -0.077 -1.903
449 1HE MET 55 1HE MET 55 -13.108 -1.222 -2.887
450 2HE MET 55 2HE MET 55 -13.683 -0.149 -4.185
451 3HE MET 55 3HE MET 55 -12.452 -1.386 -4.533
452 H ASP 56 H ASP 56 -12.952 -2.012 1.406
453 HA ASP 56 HA ASP 56 -14.583 0.203 0.479
454 HB ASP 56 2HB ASP 56 -14.834 -1.020 3.228
455 HB ASP 56 QB ASP 56 -14.834 -1.020 3.228
456 HD2 ASP 56 HD ASP 56 -16.873 -0.822 3.982
457 H SER 57 H SER 57 -14.950 0.947 3.458
458 HA SER 57 HA SER 57 -12.547 2.546 3.607
459 HB SER 57 2HB SER 57 -14.432 3.926 3.845
460 HB SER 57 QB SER 57 -14.432 3.926 3.845
461 HG SER 57 HG SER 57 -16.285 2.929 4.237
462 H SER 58 H SER 58 -12.695 -0.414 4.288
463 HA SER 58 HA SER 58 -12.434 -0.393 7.148
464 HB SER 58 2HB SER 58 -12.840 -2.630 7.013
465 HB SER 58 QB SER 58 -12.840 -2.630 7.013
466 HG SER 58 HG SER 58 -13.152 -2.301 4.166
467 H GLY 59 H GLY 59 -10.405 -1.419 4.297
468 1HA GLY 59 1HA GLY 59 -8.007 -1.427 5.911
469 2HA GLY 59 2HA GLY 59 -8.157 -1.803 4.206
470 H LEU 60 H LEU 60 -9.846 0.891 4.055
471 HA LEU 60 HA LEU 60 -7.907 2.445 2.912
472 HB LEU 60 2HB LEU 60 -10.123 3.871 4.248
473 HB LEU 60 QB LEU 60 -10.123 3.871 4.248
474 HG LEU 60 HG LEU 60 -10.668 4.401 1.798
475 1HD1 LEU 60 3HD1 LEU 60 -8.063 5.361 3.014
476 2HD1 LEU 60 1HD1 LEU 60 -8.946 6.161 1.691
477 3HD1 LEU 60 2HD1 LEU 60 -9.688 6.030 3.303
478 1HD2 LEU 60 3HD2 LEU 60 -9.147 2.448 1.029
479 2HD2 LEU 60 1HD2 LEU 60 -9.145 3.967 0.104
480 3HD2 LEU 60 2HD2 LEU 60 -7.820 3.616 1.238
481 H GLY 61 H GLY 61 -9.050 2.391 6.334
482 1HA GLY 61 1HA GLY 61 -7.263 4.519 7.104
483 2HA GLY 61 2HA GLY 61 -8.295 3.552 8.139
484 H VAL 62 H VAL 62 -7.306 0.932 7.092
485 HA VAL 62 HA VAL 62 -5.158 0.615 8.885
486 HB VAL 62 HB VAL 62 -7.006 -0.982 7.583
487 1HG1 VAL 62 1HG1 VAL 62 -5.443 -1.092 5.633
488 2HG1 VAL 62 2HG1 VAL 62 -4.238 -1.860 6.696
489 3HG1 VAL 62 3HG1 VAL 62 -5.788 -2.675 6.371
490 1HG2 VAL 62 2HG2 VAL 62 -4.900 -1.260 9.608
491 2HG2 VAL 62 3HG2 VAL 62 -6.568 -1.880 9.594
492 3HG2 VAL 62 1HG2 VAL 62 -5.276 -2.783 8.767
493 H ILE 63 H ILE 63 -5.403 1.571 5.518
494 HA ILE 63 HA ILE 63 -2.601 0.956 5.053
495 HB ILE 63 HB ILE 63 -4.961 1.645 3.386
496 HG1 ILE 63 2HG1 ILE 63 -3.393 -0.625 3.874
497 HG1 ILE 63 QG1 ILE 63 -3.393 -0.625 3.874
498 1HG2 ILE 63 3HG2 ILE 63 -2.113 2.302 2.598
499 2HG2 ILE 63 1HG2 ILE 63 -3.462 2.140 1.449
500 3HG2 ILE 63 2HG2 ILE 63 -3.502 3.411 2.693
501 1HD1 ILE 63 3HD1 ILE 63 -5.646 0.206 2.093
502 2HD1 ILE 63 1HD1 ILE 63 -4.787 -1.281 1.626
503 3HD1 ILE 63 2HD1 ILE 63 -5.540 -1.157 3.234
504 H LEU 64 H LEU 64 -4.834 3.681 5.642
505 HA LEU 64 HA LEU 64 -3.090 5.734 4.934
506 HB LEU 64 2HB LEU 64 -5.036 6.040 7.177
507 HB LEU 64 QB LEU 64 -5.036 6.040 7.177
508 HG LEU 64 HG LEU 64 -5.430 8.136 6.402
509 1HD1 LEU 64 1HD1 LEU 64 -2.895 7.726 6.738
510 2HD1 LEU 64 2HD1 LEU 64 -2.792 7.917 4.972
511 3HD1 LEU 64 3HD1 LEU 64 -3.433 9.241 5.973
512 1HD2 LEU 64 1HD2 LEU 64 -5.970 6.936 4.037
513 2HD2 LEU 64 2HD2 LEU 64 -5.945 8.699 4.283
514 3HD2 LEU 64 3HD2 LEU 64 -4.523 7.876 3.597
515 H GLY 65 H GLY 65 -3.632 4.027 8.079
516 1HA GLY 65 1HA GLY 65 -1.848 5.539 9.608
517 2HA GLY 65 2HA GLY 65 -2.361 3.893 9.926
518 H ARG 66 H ARG 66 -1.360 2.736 7.401
519 HA ARG 66 HA ARG 66 1.243 2.232 8.269
520 HB ARG 66 2HB ARG 66 0.757 1.517 5.457
521 HB ARG 66 QB ARG 66 0.757 1.517 5.457
522 HG ARG 66 2HG ARG 66 0.696 -0.348 7.853
523 HG ARG 66 QG ARG 66 0.696 -0.348 7.853
524 HD ARG 66 2HD ARG 66 1.372 -0.498 4.924
525 HD ARG 66 QD ARG 66 1.372 -0.498 4.924
526 HE ARG 66 HE ARG 66 3.053 -1.714 7.005
527 1HH1 ARG 66 2HH2 ARG 66 1.885 -1.995 3.672
528 2HH1 ARG 66 1HH2 ARG 66 3.202 -2.998 3.164
529 HH2 ARG 66 1HH ARG 66 4.899 -3.600 4.746
530 H TYR 67 H TYR 67 -0.209 4.250 5.664
531 HA TYR 67 HA TYR 67 1.972 4.856 4.156
532 HB TYR 67 2HB TYR 67 0.115 7.058 5.122
533 HB TYR 67 QB TYR 67 0.115 7.058 5.122
534 HD1 TYR 67 2HD TYR 67 0.039 4.940 2.049
535 HD2 TYR 67 1HD TYR 67 1.002 8.752 3.737
536 HE1 TYR 67 2HE TYR 67 0.429 5.881 -0.280
537 HE2 TYR 67 1HE TYR 67 1.389 9.680 1.402
538 HH TYR 67 HH TYR 67 1.093 7.577 -1.446
539 H LYS 68 H LYS 68 1.031 6.239 7.351
540 HA LYS 68 HA LYS 68 3.321 8.010 7.275
541 HB LYS 68 2HB LYS 68 2.275 9.197 8.896
542 HB LYS 68 QB LYS 68 2.275 9.197 8.896
543 HG LYS 68 2HG LYS 68 0.483 8.148 7.064
544 HG LYS 68 QG LYS 68 0.483 8.148 7.064
545 HD LYS 68 2HD LYS 68 -0.321 6.428 8.646
546 HD LYS 68 QD LYS 68 -0.321 6.428 8.646
547 HE LYS 68 2HE LYS 68 -1.668 8.119 10.563
548 HE LYS 68 QE LYS 68 -1.668 8.119 10.563
549 1HZ LYS 68 1HZ LYS 68 0.237 5.902 10.574
550 2HZ LYS 68 2HZ LYS 68 0.103 6.748 11.958
551 H GLN 69 H GLN 69 2.336 4.861 8.536
552 HA GLN 69 HA GLN 69 4.596 4.817 10.321
553 HB GLN 69 2HB GLN 69 3.289 2.252 10.103
554 HB GLN 69 QB GLN 69 3.289 2.252 10.103
555 HG GLN 69 2HG GLN 69 3.448 4.475 12.168
556 HG GLN 69 QG GLN 69 3.448 4.475 12.168
557 1HE2 GLN 69 2HE2 GLN 69 1.161 3.153 14.439
558 2HE2 GLN 69 1HE2 GLN 69 2.461 4.252 14.118
559 H ILE 70 H ILE 70 4.012 4.300 7.031
560 HA ILE 70 HA ILE 70 5.985 2.152 6.846
561 HB ILE 70 HB ILE 70 3.732 2.027 5.706
562 HG1 ILE 70 2HG1 ILE 70 6.383 1.625 4.353
563 HG1 ILE 70 QG1 ILE 70 6.383 1.625 4.353
564 1HG2 ILE 70 3HG2 ILE 70 3.761 4.430 4.959
565 2HG2 ILE 70 1HG2 ILE 70 4.962 3.961 3.732
566 3HG2 ILE 70 2HG2 ILE 70 3.332 3.244 3.702
567 1HD1 ILE 70 1HD1 ILE 70 4.545 0.127 6.035
568 2HD1 ILE 70 2HD1 ILE 70 4.757 -0.703 4.475
569 3HD1 ILE 70 3HD1 ILE 70 6.175 -0.325 5.483
570 H LYS 71 H LYS 71 5.290 5.547 5.886
571 HA LYS 71 HA LYS 71 7.671 5.829 4.385
572 HB LYS 71 2HB LYS 71 6.715 8.340 5.392
573 HB LYS 71 QB LYS 71 6.715 8.340 5.392
574 HG LYS 71 2HG LYS 71 6.020 7.134 2.701
575 HG LYS 71 QG LYS 71 6.020 7.134 2.701
576 HD LYS 71 2HD LYS 71 5.383 9.501 3.250
577 HD LYS 71 QD LYS 71 5.383 9.501 3.250
578 HE LYS 71 2HE LYS 71 7.959 10.737 3.015
579 HE LYS 71 QE LYS 71 7.959 10.737 3.015
580 1HZ LYS 71 1HZ LYS 71 6.833 12.022 4.450
581 2HZ LYS 71 2HZ LYS 71 5.654 10.908 4.602
582 H GLN 72 H GLN 72 6.874 5.870 7.806
583 HA GLN 72 HA GLN 72 9.081 7.431 8.583
584 HB GLN 72 2HB GLN 72 6.993 5.768 9.920
585 HB GLN 72 QB GLN 72 6.993 5.768 9.920
586 HG GLN 72 2HG GLN 72 9.779 5.860 10.870
587 HG GLN 72 QG GLN 72 9.779 5.860 10.870
588 1HE2 GLN 72 2HE2 GLN 72 9.767 7.668 13.817
589 2HE2 GLN 72 1HE2 GLN 72 10.609 6.729 12.630
590 H ILE 73 H ILE 73 8.501 3.959 7.980
591 HA ILE 73 HA ILE 73 11.376 3.537 8.327
592 HB ILE 73 HB ILE 73 9.553 1.346 9.152
593 HG1 ILE 73 2HG1 ILE 73 9.856 3.925 10.664
594 HG1 ILE 73 QG1 ILE 73 9.856 3.925 10.664
595 1HG2 ILE 73 1HG2 ILE 73 12.305 2.339 9.863
596 2HG2 ILE 73 2HG2 ILE 73 11.443 1.180 10.902
597 3HG2 ILE 73 3HG2 ILE 73 11.805 0.760 9.210
598 1HD1 ILE 73 1HD1 ILE 73 7.671 1.964 9.934
599 2HD1 ILE 73 2HD1 ILE 73 7.483 3.000 11.370
600 3HD1 ILE 73 3HD1 ILE 73 7.694 3.735 9.763
601 H GLY 74 H GLY 74 9.893 4.167 5.938
602 1HA GLY 74 1HA GLY 74 10.414 1.688 4.458
603 2HA GLY 74 2HA GLY 74 8.828 2.422 4.319
604 H GLY 75 H GLY 75 11.202 4.819 4.958
605 1HA GLY 75 1HA GLY 75 12.227 6.373 3.695
606 2HA GLY 75 2HA GLY 75 12.317 5.200 2.396
607 H GLU 76 H GLU 76 9.931 4.692 1.420
608 HA GLU 76 HA GLU 76 8.416 7.147 1.312
609 HB GLU 76 2HB GLU 76 8.627 7.515 -0.988
610 HB GLU 76 QB GLU 76 8.627 7.515 -0.988
611 HG GLU 76 2HG GLU 76 11.087 7.100 -1.609
612 HG GLU 76 QG GLU 76 11.087 7.100 -1.609
613 HE2 GLU 76 HE GLU 76 12.635 8.647 -0.588
614 H MET 77 H MET 77 6.199 6.827 0.643
615 HA MET 77 HA MET 77 5.484 3.999 0.633
616 HB MET 77 2HB MET 77 4.730 5.670 2.534
617 HB MET 77 QB MET 77 4.730 5.670 2.534
618 HG MET 77 2HG MET 77 2.535 6.802 1.928
619 HG MET 77 QG MET 77 2.535 6.802 1.928
620 1HE MET 77 2HE MET 77 3.209 8.129 -1.001
621 2HE MET 77 3HE MET 77 2.799 9.534 0.012
622 3HE MET 77 1HE MET 77 4.356 9.481 -0.849
623 H VAL 78 H VAL 78 4.525 3.181 -1.185
624 HA VAL 78 HA VAL 78 3.174 5.086 -2.955
625 HB VAL 78 HB VAL 78 5.051 2.914 -3.896
626 1HG1 VAL 78 2HG1 VAL 78 3.397 5.033 -5.249
627 2HG1 VAL 78 3HG1 VAL 78 4.900 4.451 -6.006
628 3HG1 VAL 78 1HG1 VAL 78 3.583 3.308 -5.650
629 1HG2 VAL 78 2HG2 VAL 78 5.552 5.813 -3.271
630 2HG2 VAL 78 3HG2 VAL 78 6.564 4.386 -2.938
631 3HG2 VAL 78 1HG2 VAL 78 6.439 5.021 -4.597
632 H VAL 79 H VAL 79 1.539 4.069 -4.343
633 HA VAL 79 HA VAL 79 0.888 1.321 -3.795
634 HB VAL 79 HB VAL 79 -0.044 2.500 -1.851
635 1HG1 VAL 79 2HG1 VAL 79 -1.415 4.141 -3.981
636 2HG1 VAL 79 3HG1 VAL 79 -2.121 3.958 -2.357
637 3HG1 VAL 79 1HG1 VAL 79 -0.508 4.686 -2.550
638 1HG2 VAL 79 3HG2 VAL 79 -2.004 1.333 -3.846
639 2HG2 VAL 79 1HG2 VAL 79 -1.178 0.509 -2.502
640 3HG2 VAL 79 2HG2 VAL 79 -2.438 1.721 -2.165
641 H CYS 80 H CYS 80 -0.035 0.422 -5.593
642 HA CYS 80 HA CYS 80 -1.238 2.283 -7.498
643 HB CYS 80 2HB CYS 80 0.954 1.941 -8.391
644 HB CYS 80 QB CYS 80 0.954 1.941 -8.391
645 HG CYS 80 HG CYS 80 1.767 -0.583 -9.183
646 H ALA 81 H ALA 81 -2.030 0.418 -9.427
647 HA ALA 81 HA ALA 81 -3.431 -1.245 -9.884
648 1HB ALA 81 1HB ALA 81 -2.017 -2.203 -7.595
649 2HB ALA 81 2HB ALA 81 -3.736 -2.609 -7.369
650 3HB ALA 81 3HB ALA 81 -2.880 -3.149 -8.832
651 H ILE 82 H ILE 82 -4.375 1.296 -9.250
652 HA ILE 82 HA ILE 82 -6.470 1.041 -7.298
653 HB ILE 82 HB ILE 82 -5.053 3.108 -7.882
654 HG1 ILE 82 2HG1 ILE 82 -8.028 3.072 -7.399
655 HG1 ILE 82 QG1 ILE 82 -8.028 3.072 -7.399
656 1HG2 ILE 82 1HG2 ILE 82 -6.275 2.715 -10.388
657 2HG2 ILE 82 2HG2 ILE 82 -7.029 4.168 -9.690
658 3HG2 ILE 82 3HG2 ILE 82 -5.259 4.080 -9.865
659 1HD1 ILE 82 1HD1 ILE 82 -6.071 2.380 -5.727
660 2HD1 ILE 82 2HD1 ILE 82 -5.887 4.142 -5.563
661 3HD1 ILE 82 3HD1 ILE 82 -7.438 3.369 -5.158
662 H SER 83 H SER 83 -8.248 2.768 -9.147
663 HA SER 83 HA SER 83 -8.945 1.358 -11.371
664 HB SER 83 2HB SER 83 -11.099 0.596 -9.499
665 HB SER 83 QB SER 83 -11.099 0.596 -9.499
666 HG SER 83 HG SER 83 -9.541 -0.686 -11.560
667 HA PRO 84 HA PRO 84 -11.723 4.705 -11.501
668 HB PRO 84 2HB PRO 84 -12.116 4.446 -13.755
669 HB PRO 84 QB PRO 84 -12.116 4.446 -13.755
670 HG PRO 84 2HG PRO 84 -11.787 2.306 -14.549
671 HG PRO 84 QG PRO 84 -11.787 2.306 -14.549
672 HD PRO 84 2HD PRO 84 -10.320 1.506 -12.971
673 HD PRO 84 QD PRO 84 -10.320 1.506 -12.971
674 H ALA 85 H ALA 85 -12.652 1.859 -10.066
675 HA ALA 85 HA ALA 85 -14.933 3.270 -8.867
676 1HB ALA 85 3HB ALA 85 -15.665 1.511 -10.483
677 2HB ALA 85 1HB ALA 85 -14.765 0.304 -9.535
678 3HB ALA 85 2HB ALA 85 -16.149 1.156 -8.809
679 H VAL 86 H VAL 86 -11.930 2.829 -8.238
680 HA VAL 86 HA VAL 86 -12.417 1.771 -5.547
681 HB VAL 86 HB VAL 86 -10.342 1.003 -7.555
682 1HG1 VAL 86 1HG1 VAL 86 -9.766 1.709 -4.786
683 2HG1 VAL 86 2HG1 VAL 86 -9.374 0.009 -5.136
684 3HG1 VAL 86 3HG1 VAL 86 -8.655 1.308 -6.118
685 1HG2 VAL 86 2HG2 VAL 86 -12.486 -0.263 -6.132
686 2HG2 VAL 86 3HG2 VAL 86 -11.421 -0.940 -7.388
687 3HG2 VAL 86 1HG2 VAL 86 -10.952 -1.043 -5.674
688 H LYS 87 H LYS 87 -10.627 3.914 -7.787
689 HA LYS 87 HA LYS 87 -9.119 5.165 -5.740
690 HB LYS 87 2HB LYS 87 -8.857 5.025 -8.399
691 HB LYS 87 QB LYS 87 -8.857 5.025 -8.399
692 HG LYS 87 2HG LYS 87 -9.701 7.903 -8.100
693 HG LYS 87 QG LYS 87 -9.701 7.903 -8.100
694 HD LYS 87 2HD LYS 87 -10.362 6.489 -10.578
695 HD LYS 87 QD LYS 87 -10.362 6.489 -10.578
696 HE LYS 87 2HE LYS 87 -8.180 8.566 -10.239
697 HE LYS 87 QE LYS 87 -8.180 8.566 -10.239
698 1HZ LYS 87 1HZ LYS 87 -10.173 7.837 -12.286
699 2HZ LYS 87 2HZ LYS 87 -9.562 9.346 -12.273
700 H ARG 88 H ARG 88 -12.438 5.192 -6.535
701 HA ARG 88 HA ARG 88 -12.997 7.878 -6.107
702 HB ARG 88 2HB ARG 88 -14.470 5.841 -7.015
703 HB ARG 88 QB ARG 88 -14.470 5.841 -7.015
704 HG ARG 88 2HG ARG 88 -16.227 5.302 -5.232
705 HG ARG 88 QG ARG 88 -16.227 5.302 -5.232
706 HD ARG 88 2HD ARG 88 -13.876 4.080 -4.000
707 HD ARG 88 QD ARG 88 -13.876 4.080 -4.000
708 HE ARG 88 HE ARG 88 -15.389 2.478 -5.872
709 1HH1 ARG 88 2HH2 ARG 88 -15.697 4.169 -2.774
710 2HH1 ARG 88 1HH2 ARG 88 -16.969 3.145 -2.200
711 HH2 ARG 88 1HH ARG 88 -17.760 1.361 -3.592
712 H LEU 89 H LEU 89 -12.292 5.159 -3.964
713 HA LEU 89 HA LEU 89 -13.552 6.061 -1.647
714 HB LEU 89 2HB LEU 89 -11.130 4.708 -1.006
715 HB LEU 89 QB LEU 89 -11.130 4.708 -1.006
716 HG LEU 89 HG LEU 89 -13.888 3.503 -1.342
717 1HD1 LEU 89 1HD1 LEU 89 -11.857 1.980 -1.128
718 2HD1 LEU 89 2HD1 LEU 89 -11.696 2.607 0.530
719 3HD1 LEU 89 3HD1 LEU 89 -13.175 1.743 0.046
720 1HD2 LEU 89 2HD2 LEU 89 -12.988 5.511 0.509
721 2HD2 LEU 89 3HD2 LEU 89 -14.594 4.760 0.342
722 3HD2 LEU 89 1HD2 LEU 89 -13.362 4.006 1.384
723 H PHE 90 H PHE 90 -10.262 6.697 -3.003
724 HA PHE 90 HA PHE 90 -9.697 8.489 -0.813
725 HB PHE 90 2HB PHE 90 -7.501 8.601 -1.962
726 HB PHE 90 QB PHE 90 -7.501 8.601 -1.962
727 HD1 PHE 90 2HD PHE 90 -8.778 5.583 -3.620
728 HD2 PHE 90 1HD PHE 90 -6.873 7.137 -0.161
729 HE1 PHE 90 2HE PHE 90 -8.153 3.255 -2.918
730 HE2 PHE 90 1HE PHE 90 -6.248 4.808 0.541
731 HZ PHE 90 HZ PHE 90 -6.896 2.896 -0.847
732 H ASP 91 H ASP 91 -10.989 8.598 -4.083
733 HA ASP 91 HA ASP 91 -10.245 11.241 -4.628
734 HB ASP 91 2HB ASP 91 -12.771 10.402 -5.869
735 HB ASP 91 QB ASP 91 -12.771 10.402 -5.869
736 HD2 ASP 91 HD ASP 91 -11.589 12.679 -7.048
737 H MET 92 H MET 92 -12.979 9.605 -2.989
738 HA MET 92 HA MET 92 -14.499 12.028 -2.849
739 HB MET 92 2HB MET 92 -15.909 10.394 -1.283
740 HB MET 92 QB MET 92 -15.909 10.394 -1.283
741 HG MET 92 2HG MET 92 -15.459 10.142 -4.271
742 HG MET 92 QG MET 92 -15.459 10.142 -4.271
743 1HE MET 92 3HE MET 92 -18.137 9.686 -1.853
744 2HE MET 92 1HE MET 92 -19.091 8.332 -2.504
745 3HE MET 92 2HE MET 92 -17.818 8.026 -1.297
746 H SER 93 H SER 93 -12.305 10.092 -0.815
747 HA SER 93 HA SER 93 -13.029 11.278 1.607
748 HB SER 93 2HB SER 93 -10.327 10.517 1.832
749 HB SER 93 QB SER 93 -10.327 10.517 1.832
750 HG SER 93 HG SER 93 -12.087 9.853 3.240
751 H GLY 94 H GLY 94 -10.929 12.225 -1.088
752 1HA GLY 94 1HA GLY 94 -9.942 14.201 -1.544
753 2HA GLY 94 2HA GLY 94 -10.699 14.891 -0.123
754 H LEU 95 H LEU 95 -8.932 11.954 0.496
755 HA LEU 95 HA LEU 95 -6.689 13.567 1.497
756 HB LEU 95 2HB LEU 95 -7.523 10.941 2.683
757 HB LEU 95 QB LEU 95 -7.523 10.941 2.683
758 HG LEU 95 HG LEU 95 -5.549 11.583 3.718
759 1HD1 LEU 95 2HD1 LEU 95 -6.510 14.444 3.505
760 2HD1 LEU 95 3HD1 LEU 95 -5.080 13.948 4.441
761 3HD1 LEU 95 1HD1 LEU 95 -5.128 13.682 2.682
762 1HD2 LEU 95 3HD2 LEU 95 -7.751 12.862 5.362
763 2HD2 LEU 95 1HD2 LEU 95 -7.265 11.149 5.379
764 3HD2 LEU 95 2HD2 LEU 95 -6.140 12.399 5.964
765 H PHE 96 H PHE 96 -7.459 11.898 -1.111
766 HA PHE 96 HA PHE 96 -5.907 9.683 -1.320
767 HB PHE 96 2HB PHE 96 -5.722 11.615 -3.596
768 HB PHE 96 QB PHE 96 -5.722 11.615 -3.596
769 HD1 PHE 96 1HD PHE 96 -5.175 8.571 -2.737
770 HD2 PHE 96 2HD PHE 96 -8.069 10.555 -5.124
771 HE1 PHE 96 1HE PHE 96 -5.517 6.470 -4.068
772 HE2 PHE 96 2HE PHE 96 -8.411 8.454 -6.455
773 HZ PHE 96 HZ PHE 96 -7.131 6.437 -5.911
774 H LYS 97 H LYS 97 -4.887 13.118 -1.366
775 HA LYS 97 HA LYS 97 -2.312 12.703 -2.354
776 HB LYS 97 2HB LYS 97 -1.872 14.923 -1.655
777 HB LYS 97 QB LYS 97 -1.872 14.923 -1.655
778 HG LYS 97 2HG LYS 97 -4.699 15.555 -1.827
779 HG LYS 97 QG LYS 97 -4.699 15.555 -1.827
780 HD LYS 97 2HD LYS 97 -2.443 15.557 -3.890
781 HD LYS 97 QD LYS 97 -2.443 15.557 -3.890
782 HE LYS 97 2HE LYS 97 -4.917 15.693 -4.724
783 HE LYS 97 QE LYS 97 -4.917 15.693 -4.724
784 1HZ LYS 97 1HZ LYS 97 -6.026 17.190 -3.420
785 2HZ LYS 97 2HZ LYS 97 -4.704 18.055 -3.027
786 H ILE 98 H ILE 98 -3.806 11.937 0.718
787 HA ILE 98 HA ILE 98 -1.291 11.826 2.117
788 HB ILE 98 HB ILE 98 -3.964 12.118 2.821
789 HG1 ILE 98 2HG1 ILE 98 -2.926 13.086 4.530
790 HG1 ILE 98 QG1 ILE 98 -2.926 13.086 4.530
791 1HG2 ILE 98 2HG2 ILE 98 -2.938 9.402 3.672
792 2HG2 ILE 98 3HG2 ILE 98 -4.261 10.264 4.495
793 3HG2 ILE 98 1HG2 ILE 98 -4.435 9.786 2.788
794 1HD1 ILE 98 3HD1 ILE 98 -1.957 10.267 5.164
795 2HD1 ILE 98 1HD1 ILE 98 -1.573 11.674 6.185
796 3HD1 ILE 98 2HD1 ILE 98 -3.267 11.173 5.960
797 H ILE 99 H ILE 99 -2.873 9.931 -0.204
798 HA ILE 99 HA ILE 99 -1.491 7.537 0.792
799 HB ILE 99 HB ILE 99 -4.106 7.808 -0.678
800 HG1 ILE 99 2HG1 ILE 99 -4.920 6.428 1.246
801 HG1 ILE 99 QG1 ILE 99 -4.920 6.428 1.246
802 1HG2 ILE 99 1HG2 ILE 99 -2.698 6.040 -1.713
803 2HG2 ILE 99 2HG2 ILE 99 -2.596 5.240 -0.126
804 3HG2 ILE 99 3HG2 ILE 99 -4.172 5.416 -0.935
805 1HD1 ILE 99 1HD1 ILE 99 -2.253 5.975 1.775
806 2HD1 ILE 99 2HD1 ILE 99 -2.620 7.293 2.916
807 3HD1 ILE 99 3HD1 ILE 99 -3.560 5.782 2.968
808 H ARG 100 H ARG 100 -1.712 10.013 -1.581
809 HA ARG 100 HA ARG 100 -1.047 10.152 -3.681
810 HB ARG 100 2HB ARG 100 1.535 8.797 -2.928
811 HB ARG 100 QB ARG 100 1.535 8.797 -2.928
812 HG ARG 100 2HG ARG 100 0.742 11.516 -4.067
813 HG ARG 100 QG ARG 100 0.742 11.516 -4.067
814 HD ARG 100 2HD ARG 100 3.585 10.689 -4.202
815 HD ARG 100 QD ARG 100 3.585 10.689 -4.202
816 HE ARG 100 HE ARG 100 3.234 12.970 -4.748
817 1HH1 ARG 100 2HH2 ARG 100 2.009 12.272 -1.497
818 2HH1 ARG 100 1HH2 ARG 100 1.824 13.941 -1.074
819 HH2 ARG 100 1HH ARG 100 2.407 15.630 -2.672
820 H PHE 101 H PHE 101 -2.335 8.664 -4.908
821 HA PHE 101 HA PHE 101 -1.152 6.009 -5.273
822 HB PHE 101 2HB PHE 101 -3.810 6.661 -6.457
823 HB PHE 101 QB PHE 101 -3.810 6.661 -6.457
824 HD1 PHE 101 1HD PHE 101 -3.423 4.368 -7.313
825 HD2 PHE 101 2HD PHE 101 -3.686 5.172 -3.155
826 HE1 PHE 101 1HE PHE 101 -3.802 1.928 -6.866
827 HE2 PHE 101 2HE PHE 101 -4.064 2.731 -2.707
828 HZ PHE 101 HZ PHE 101 -4.118 1.139 -4.568
829 H GLU 102 H GLU 102 -1.831 5.129 -7.636
830 HA GLU 102 HA GLU 102 -1.558 7.227 -9.585
831 HB GLU 102 2HB GLU 102 0.340 4.992 -10.066
832 HB GLU 102 QB GLU 102 0.340 4.992 -10.066
833 HG GLU 102 2HG GLU 102 -0.095 7.510 -11.120
834 HG GLU 102 QG GLU 102 -0.095 7.510 -11.120
835 HE2 GLU 102 HE GLU 102 1.843 9.972 -9.665
836 H GLN 103 H GLN 103 -0.670 5.018 -11.562
837 HA GLN 103 HA GLN 103 -2.894 3.224 -11.473
838 HB GLN 103 2HB GLN 103 -3.660 3.897 -13.805
839 HB GLN 103 QB GLN 103 -3.660 3.897 -13.805
840 HG GLN 103 2HG GLN 103 -3.899 5.996 -11.596
841 HG GLN 103 QG GLN 103 -3.899 5.996 -11.596
842 1HE2 GLN 103 2HE2 GLN 103 -7.212 6.441 -13.594
843 2HE2 GLN 103 1HE2 GLN 103 -6.843 5.396 -12.262
844 H SER 104 H SER 104 -1.397 1.511 -11.467
845 HA SER 104 HA SER 104 0.138 0.145 -12.192
846 HB SER 104 2HB SER 104 -1.177 0.968 -14.802
847 HB SER 104 QB SER 104 -1.177 0.968 -14.802
848 HG SER 104 HG SER 104 0.665 0.103 -15.634
849 H GLU 105 H GLU 105 0.170 2.792 -14.702
850 HA GLU 105 HA GLU 105 2.646 2.735 -15.529
851 HB GLU 105 2HB GLU 105 1.094 5.208 -14.660
852 HB GLU 105 QB GLU 105 1.094 5.208 -14.660
853 HG GLU 105 2HG GLU 105 3.826 4.955 -15.687
854 HG GLU 105 QG GLU 105 3.826 4.955 -15.687
855 HE2 GLU 105 HE GLU 105 4.154 7.263 -17.029
856 H GLN 106 H GLN 106 1.645 3.625 -12.237
857 HA GLN 106 HA GLN 106 4.060 4.803 -11.485
858 HB GLN 106 2HB GLN 106 1.673 3.658 -10.047
859 HB GLN 106 QB GLN 106 1.673 3.658 -10.047
860 HG GLN 106 2HG GLN 106 4.397 4.226 -8.857
861 HG GLN 106 QG GLN 106 4.397 4.226 -8.857
862 1HE2 GLN 106 2HE2 GLN 106 1.383 4.662 -6.106
863 2HE2 GLN 106 1HE2 GLN 106 1.537 3.275 -7.131
864 H GLN 107 H GLN 107 3.327 1.601 -12.361
865 HA GLN 107 HA GLN 107 4.394 -0.091 -10.682
866 HB GLN 107 2HB GLN 107 5.089 0.075 -13.648
867 HB GLN 107 QB GLN 107 5.089 0.075 -13.648
868 HG GLN 107 2HG GLN 107 4.901 -2.464 -12.001
869 HG GLN 107 QG GLN 107 4.901 -2.464 -12.001
870 1HE2 GLN 107 2HE2 GLN 107 4.931 -3.527 -15.377
871 2HE2 GLN 107 1HE2 GLN 107 3.937 -3.141 -14.012
872 H ALA 108 H ALA 108 6.178 2.491 -12.339
873 HA ALA 108 HA ALA 108 8.738 1.432 -11.513
874 1HB ALA 108 1HB ALA 108 7.689 3.439 -13.375
875 2HB ALA 108 2HB ALA 108 9.079 4.044 -12.442
876 3HB ALA 108 3HB ALA 108 9.234 2.555 -13.405
877 H LEU 109 H LEU 109 6.693 4.365 -10.856
878 HA LEU 109 HA LEU 109 8.351 5.317 -8.807
879 HB LEU 109 2HB LEU 109 5.619 6.104 -8.444
880 HB LEU 109 QB LEU 109 5.619 6.104 -8.444
881 HG LEU 109 HG LEU 109 7.990 7.532 -9.676
882 1HD1 LEU 109 1HD1 LEU 109 5.716 8.332 -10.474
883 2HD1 LEU 109 2HD1 LEU 109 5.408 8.829 -8.793
884 3HD1 LEU 109 3HD1 LEU 109 6.762 9.546 -9.699
885 1HD2 LEU 109 1HD2 LEU 109 8.006 6.853 -7.201
886 2HD2 LEU 109 2HD2 LEU 109 8.333 8.557 -7.602
887 3HD2 LEU 109 3HD2 LEU 109 6.731 8.079 -6.991
888 H LEU 110 H LEU 110 6.147 2.641 -8.983
889 HA LEU 110 HA LEU 110 5.237 2.570 -6.354
890 HB LEU 110 2HB LEU 110 5.784 0.356 -8.335
891 HB LEU 110 QB LEU 110 5.784 0.356 -8.335
892 HG LEU 110 HG LEU 110 5.500 -0.559 -6.036
893 1HD1 LEU 110 2HD1 LEU 110 3.991 1.421 -5.347
894 2HD1 LEU 110 3HD1 LEU 110 2.671 0.468 -6.065
895 3HD1 LEU 110 1HD1 LEU 110 3.619 -0.202 -4.716
896 1HD2 LEU 110 3HD2 LEU 110 3.728 -1.101 -8.335
897 2HD2 LEU 110 1HD2 LEU 110 4.801 -2.187 -7.419
898 3HD2 LEU 110 2HD2 LEU 110 3.191 -1.777 -6.779
899 H THR 111 H THR 111 8.310 1.507 -7.870
900 HA THR 111 HA THR 111 9.301 0.050 -5.711
901 HB THR 111 HB THR 111 10.177 1.120 -8.280
902 HG1 THR 111 1HG THR 111 11.015 -0.871 -6.295
903 1HG2 THR 111 2HG2 THR 111 12.198 1.147 -5.976
904 2HG2 THR 111 3HG2 THR 111 12.619 1.205 -7.705
905 3HG2 THR 111 1HG2 THR 111 11.729 2.555 -6.959
906 H LEU 112 H LEU 112 8.394 3.301 -5.770
907 HA LEU 112 HA LEU 112 8.465 4.527 -3.804
908 HB LEU 112 2HB LEU 112 9.924 2.606 -2.831
909 HB LEU 112 QB LEU 112 9.924 2.606 -2.831
910 HG LEU 112 HG LEU 112 12.156 2.781 -2.696
911 1HD1 LEU 112 1HD1 LEU 112 11.276 3.752 -5.237
912 2HD1 LEU 112 2HD1 LEU 112 12.788 4.581 -4.796
913 3HD1 LEU 112 3HD1 LEU 112 12.726 2.803 -4.836
914 1HD2 LEU 112 1HD2 LEU 112 11.916 4.880 -1.350
915 2HD2 LEU 112 2HD2 LEU 112 13.411 4.776 -2.310
916 3HD2 LEU 112 3HD2 LEU 112 12.067 5.802 -2.865
917 H GLY 113 H GLY 113 9.320 4.758 -6.713
918 1HA GLY 113 1HA GLY 113 10.390 6.210 -8.075
919 2HA GLY 113 2HA GLY 113 9.911 7.394 -6.874
920 H VAL 114 H VAL 114 12.324 4.673 -6.788
921 HA VAL 114 HA VAL 114 14.590 6.212 -7.057
922 HB VAL 114 HB VAL 114 13.352 6.339 -4.387
923 1HG1 VAL 114 3HG1 VAL 114 16.167 5.379 -4.769
924 2HG1 VAL 114 1HG1 VAL 114 15.817 6.516 -3.444
925 3HG1 VAL 114 2HG1 VAL 114 14.972 4.951 -3.521
926 1HG2 VAL 114 1HG2 VAL 114 14.680 8.056 -6.278
927 2HG2 VAL 114 2HG2 VAL 114 13.748 8.488 -4.825
928 3HG2 VAL 114 3HG2 VAL 114 15.495 8.168 -4.699
929 H ALA 115 H ALA 115 15.003 4.272 -8.263
930 HA ALA 115 HA ALA 115 16.701 2.508 -7.374
931 1HB ALA 115 3HB ALA 115 14.036 1.863 -6.182
932 2HB ALA 115 1HB ALA 115 15.006 0.499 -6.786
933 3HB ALA 115 2HB ALA 115 15.672 1.583 -5.541
934 H SER 116 H SER 116 17.215 2.489 -9.568
935 HA SER 116 HA SER 116 17.167 1.859 -11.642
936 HB SER 116 2HB SER 116 15.397 -0.201 -12.039
937 HB SER 116 QB SER 116 15.397 -0.201 -12.039
938 HG SER 116 HG SER 116 17.150 -1.558 -11.647
No H/Q in entry = 795
Start of MODEL 23
1 H SER 1 H SER 1 -10.827 -15.672 -1.363
2 HA SER 1 HA SER 1 -10.682 -15.802 0.798
3 HB SER 1 2HB SER 1 -8.819 -17.530 1.663
4 HB SER 1 QB SER 1 -8.819 -17.530 1.663
5 HG SER 1 HG SER 1 -10.700 -18.856 0.036
6 H LEU 2 H LEU 2 -8.695 -14.068 -0.922
7 HA LEU 2 HA LEU 2 -7.299 -12.417 -0.440
8 HB LEU 2 2HB LEU 2 -7.658 -13.363 2.401
9 HB LEU 2 QB LEU 2 -7.658 -13.363 2.401
10 HG LEU 2 HG LEU 2 -5.978 -11.133 1.327
11 1HD1 LEU 2 3HD1 LEU 2 -8.117 -10.333 2.706
12 2HD1 LEU 2 1HD1 LEU 2 -7.066 -10.767 4.074
13 3HD1 LEU 2 2HD1 LEU 2 -6.520 -9.566 2.880
14 1HD2 LEU 2 2HD2 LEU 2 -5.790 -13.264 3.383
15 2HD2 LEU 2 3HD2 LEU 2 -4.557 -12.614 2.276
16 3HD2 LEU 2 1HD2 LEU 2 -4.986 -11.719 3.754
17 H GLY 3 H GLY 3 -5.092 -12.239 -0.753
18 1HA GLY 3 1HA GLY 3 -3.509 -14.647 -0.073
19 2HA GLY 3 2HA GLY 3 -3.372 -13.805 -1.604
20 H ILE 4 H ILE 4 -1.121 -13.328 -1.260
21 HA ILE 4 HA ILE 4 -0.569 -10.855 -0.235
22 HB ILE 4 HB ILE 4 -1.088 -12.426 1.904
23 HG1 ILE 4 2HG1 ILE 4 0.391 -10.711 3.157
24 HG1 ILE 4 QG1 ILE 4 0.391 -10.711 3.157
25 1HG2 ILE 4 1HG2 ILE 4 0.925 -13.836 1.297
26 2HG2 ILE 4 2HG2 ILE 4 1.930 -12.434 1.734
27 3HG2 ILE 4 3HG2 ILE 4 0.885 -13.197 2.956
28 1HD1 ILE 4 1HD1 ILE 4 1.788 -10.286 1.015
29 2HD1 ILE 4 2HD1 ILE 4 0.375 -9.381 0.423
30 3HD1 ILE 4 3HD1 ILE 4 1.212 -8.854 1.903
31 H ASP 5 H ASP 5 1.541 -10.234 -0.798
32 HA ASP 5 HA ASP 5 3.378 -12.337 -1.472
33 HB ASP 5 2HB ASP 5 3.295 -10.345 -3.628
34 HB ASP 5 QB ASP 5 3.295 -10.345 -3.628
35 HD2 ASP 5 HD ASP 5 4.238 -11.556 -5.471
36 H MET 6 H MET 6 5.579 -11.541 -1.392
37 HA MET 6 HA MET 6 5.841 -8.674 -0.984
38 HB MET 6 2HB MET 6 7.561 -9.312 0.863
39 HB MET 6 QB MET 6 7.561 -9.312 0.863
40 HG MET 6 2HG MET 6 4.586 -9.901 1.197
41 HG MET 6 QG MET 6 4.586 -9.901 1.197
42 1HE MET 6 1HE MET 6 4.107 -11.492 2.433
43 2HE MET 6 2HE MET 6 5.498 -12.424 3.036
44 3HE MET 6 3HE MET 6 4.371 -11.663 4.185
45 H ASN 7 H ASN 7 7.631 -7.769 -1.991
46 HA ASN 7 HA ASN 7 9.654 -9.638 -2.910
47 HB ASN 7 2HB ASN 7 9.328 -7.545 -4.883
48 HB ASN 7 QB ASN 7 9.328 -7.545 -4.883
49 1HD2 ASN 7 2HD2 ASN 7 10.715 -10.325 -6.486
50 2HD2 ASN 7 1HD2 ASN 7 10.969 -8.782 -5.740
51 H VAL 8 H VAL 8 11.780 -8.571 -3.225
52 HA VAL 8 HA VAL 8 11.880 -5.897 -2.004
53 HB VAL 8 HB VAL 8 12.952 -8.254 -1.058
54 1HG1 VAL 8 1HG1 VAL 8 15.158 -6.686 -2.437
55 2HG1 VAL 8 2HG1 VAL 8 15.401 -8.009 -1.271
56 3HG1 VAL 8 3HG1 VAL 8 14.621 -8.335 -2.837
57 1HG2 VAL 8 2HG2 VAL 8 13.372 -5.341 -0.545
58 2HG2 VAL 8 3HG2 VAL 8 12.736 -6.615 0.523
59 3HG2 VAL 8 1HG2 VAL 8 14.487 -6.490 0.231
60 H LYS 9 H LYS 9 13.040 -4.301 -3.067
61 HA LYS 9 HA LYS 9 14.618 -5.103 -5.373
62 HB LYS 9 2HB LYS 9 13.336 -4.167 -6.975
63 HB LYS 9 QB LYS 9 13.336 -4.167 -6.975
64 HG LYS 9 2HG LYS 9 11.049 -4.101 -4.992
65 HG LYS 9 QG LYS 9 11.049 -4.101 -4.992
66 HD LYS 9 2HD LYS 9 10.091 -5.519 -6.991
67 HD LYS 9 QD LYS 9 10.091 -5.519 -6.991
68 HE LYS 9 2HE LYS 9 10.788 -2.572 -7.402
69 HE LYS 9 QE LYS 9 10.788 -2.572 -7.402
70 1HZ LYS 9 1HZ LYS 9 8.469 -2.835 -8.520
71 2HZ LYS 9 2HZ LYS 9 9.789 -3.274 -9.367
72 H GLU 10 H GLU 10 16.566 -4.321 -4.727
73 HA GLU 10 HA GLU 10 18.109 -2.911 -4.143
74 HB GLU 10 2HB GLU 10 16.004 -0.953 -5.083
75 HB GLU 10 QB GLU 10 16.004 -0.953 -5.083
76 HG GLU 10 2HG GLU 10 18.415 -0.368 -3.438
77 HG GLU 10 QG GLU 10 18.415 -0.368 -3.438
78 HE2 GLU 10 HE GLU 10 20.120 -0.137 -5.194
79 H SER 11 H SER 11 14.910 -2.552 -2.682
80 HA SER 11 HA SER 11 15.614 -2.833 -0.161
81 HB SER 11 2HB SER 11 16.853 -1.056 0.485
82 HB SER 11 QB SER 11 16.853 -1.056 0.485
83 HG SER 11 HG SER 11 15.989 0.583 -1.717
84 H VAL 12 H VAL 12 13.547 -2.115 -2.616
85 HA VAL 12 HA VAL 12 11.415 -1.065 -0.924
86 HB VAL 12 HB VAL 12 11.985 -0.105 -3.183
87 1HG1 VAL 12 3HG1 VAL 12 12.072 -2.677 -4.053
88 2HG1 VAL 12 1HG1 VAL 12 10.422 -2.224 -4.543
89 3HG1 VAL 12 2HG1 VAL 12 11.813 -1.272 -5.115
90 1HG2 VAL 12 1HG2 VAL 12 9.803 0.218 -2.007
91 2HG2 VAL 12 2HG2 VAL 12 9.681 0.295 -3.782
92 3HG2 VAL 12 3HG2 VAL 12 9.154 -1.168 -2.915
93 H LEU 13 H LEU 13 10.032 -2.433 0.069
94 HA LEU 13 HA LEU 13 10.036 -5.205 -0.807
95 HB LEU 13 2HB LEU 13 10.329 -5.210 1.441
96 HB LEU 13 QB LEU 13 10.329 -5.210 1.441
97 HG LEU 13 HG LEU 13 8.913 -3.814 3.045
98 1HD1 LEU 13 2HD1 LEU 13 11.220 -2.885 1.400
99 2HD1 LEU 13 3HD1 LEU 13 10.432 -1.707 2.475
100 3HD1 LEU 13 1HD1 LEU 13 11.107 -3.211 3.146
101 1HD2 LEU 13 3HD2 LEU 13 8.321 -2.398 0.452
102 2HD2 LEU 13 1HD2 LEU 13 7.203 -2.915 1.736
103 3HD2 LEU 13 2HD2 LEU 13 8.299 -1.539 2.010
104 H CYS 14 H CYS 14 8.740 -5.488 -2.576
105 HA CYS 14 HA CYS 14 6.380 -3.967 -2.923
106 HB CYS 14 2HB CYS 14 6.252 -4.922 -4.997
107 HB CYS 14 QB CYS 14 6.252 -4.922 -4.997
108 HG CYS 14 HG CYS 14 8.791 -3.958 -4.205
109 H ILE 15 H ILE 15 4.334 -4.408 -2.138
110 HA ILE 15 HA ILE 15 3.960 -7.061 -0.929
111 HB ILE 15 HB ILE 15 3.395 -4.324 0.021
112 HG1 ILE 15 2HG1 ILE 15 3.793 -6.941 1.497
113 HG1 ILE 15 QG1 ILE 15 3.793 -6.941 1.497
114 1HG2 ILE 15 1HG2 ILE 15 1.357 -6.526 0.159
115 2HG2 ILE 15 2HG2 ILE 15 1.518 -5.360 1.494
116 3HG2 ILE 15 3HG2 ILE 15 1.136 -4.787 -0.147
117 1HD1 ILE 15 3HD1 ILE 15 5.688 -5.017 0.197
118 2HD1 ILE 15 1HD1 ILE 15 6.106 -5.570 1.836
119 3HD1 ILE 15 2HD1 ILE 15 5.881 -6.755 0.527
120 H ARG 16 H ARG 16 3.056 -8.145 -2.678
121 HA ARG 16 HA ARG 16 0.901 -6.817 -4.045
122 HB ARG 16 2HB ARG 16 1.275 -9.568 -4.895
123 HB ARG 16 QB ARG 16 1.275 -9.568 -4.895
124 HG ARG 16 2HG ARG 16 1.432 -6.813 -6.001
125 HG ARG 16 QG ARG 16 1.432 -6.813 -6.001
126 HD ARG 16 2HD ARG 16 3.093 -9.105 -7.139
127 HD ARG 16 QD ARG 16 3.093 -9.105 -7.139
128 HE ARG 16 HE ARG 16 2.301 -6.605 -8.600
129 1HH1 ARG 16 2HH2 ARG 16 2.871 -10.102 -8.553
130 2HH1 ARG 16 1HH2 ARG 16 2.594 -10.295 -10.252
131 HH2 ARG 16 1HH ARG 16 2.046 -8.375 -11.578
132 H LEU 17 H LEU 17 -0.940 -6.850 -2.713
133 HA LEU 17 HA LEU 17 -1.599 -9.344 -1.372
134 HB LEU 17 2HB LEU 17 -1.786 -6.696 -0.652
135 HB LEU 17 QB LEU 17 -1.786 -6.696 -0.652
136 HG LEU 17 HG LEU 17 -4.018 -6.773 -2.080
137 1HD1 LEU 17 1HD1 LEU 17 -4.586 -8.891 -0.508
138 2HD1 LEU 17 2HD1 LEU 17 -5.317 -7.585 0.456
139 3HD1 LEU 17 3HD1 LEU 17 -5.821 -7.833 -1.233
140 1HD2 LEU 17 3HD2 LEU 17 -3.062 -5.277 0.125
141 2HD2 LEU 17 1HD2 LEU 17 -4.254 -4.796 -1.107
142 3HD2 LEU 17 2HD2 LEU 17 -4.796 -5.567 0.404
143 H THR 18 H THR 18 -3.231 -10.709 -1.991
144 HA THR 18 HA THR 18 -4.913 -9.798 -4.228
145 HB THR 18 HB THR 18 -4.642 -12.354 -4.901
146 HG1 THR 18 1HG THR 18 -2.193 -11.685 -3.435
147 1HG2 THR 18 3HG2 THR 18 -3.023 -9.985 -5.499
148 2HG2 THR 18 1HG2 THR 18 -2.022 -11.456 -5.536
149 3HG2 THR 18 2HG2 THR 18 -3.464 -11.333 -6.574
150 H GLY 19 H GLY 19 -6.958 -9.672 -3.568
151 1HA GLY 19 1HA GLY 19 -8.527 -11.714 -2.758
152 2HA GLY 19 2HA GLY 19 -7.830 -11.159 -1.250
153 H GLU 20 H GLU 20 -9.115 -9.737 -0.170
154 HA GLU 20 HA GLU 20 -10.570 -7.822 -1.820
155 HB GLU 20 2HB GLU 20 -12.047 -8.114 0.559
156 HB GLU 20 QB GLU 20 -12.047 -8.114 0.559
157 HG GLU 20 2HG GLU 20 -12.471 -8.219 -2.213
158 HG GLU 20 QG GLU 20 -12.471 -8.219 -2.213
159 HE2 GLU 20 HE GLU 20 -14.271 -10.836 -0.407
160 H LEU 21 H LEU 21 -11.223 -5.795 -0.514
161 HA LEU 21 HA LEU 21 -9.096 -5.217 1.430
162 HB LEU 21 2HB LEU 21 -9.895 -2.790 0.380
163 HB LEU 21 QB LEU 21 -9.895 -2.790 0.380
164 HG LEU 21 HG LEU 21 -7.761 -2.510 -0.351
165 1HD1 LEU 21 1HD1 LEU 21 -7.845 -3.681 1.966
166 2HD1 LEU 21 2HD1 LEU 21 -7.111 -5.056 1.107
167 3HD1 LEU 21 3HD1 LEU 21 -6.282 -3.481 1.141
168 1HD2 LEU 21 2HD2 LEU 21 -8.286 -4.457 -2.117
169 2HD2 LEU 21 3HD2 LEU 21 -6.659 -3.780 -1.868
170 3HD2 LEU 21 1HD2 LEU 21 -7.114 -5.314 -1.088
171 H ASP 22 H ASP 22 -10.505 -5.989 3.140
172 HA ASP 22 HA ASP 22 -12.426 -3.934 3.821
173 HB ASP 22 2HB ASP 22 -13.871 -5.641 2.945
174 HB ASP 22 QB ASP 22 -13.871 -5.641 2.945
175 HD2 ASP 22 HD ASP 22 -14.680 -7.995 3.314
176 H HIS 23 H HIS 23 -13.170 -4.450 6.286
177 HA HIS 23 HA HIS 23 -10.982 -4.271 7.886
178 HB HIS 23 2HB HIS 23 -13.522 -3.864 8.317
179 HB HIS 23 QB HIS 23 -13.522 -3.864 8.317
180 HD1 HIS 23 1HD HIS 23 -13.109 -6.199 11.095
181 HD2 HIS 23 2HD HIS 23 -15.038 -6.246 7.370
182 HE1 HIS 23 1HE HIS 23 -14.795 -8.112 11.186
183 H HIS 24 H HIS 24 -12.396 -7.125 6.404
184 HA HIS 24 HA HIS 24 -11.189 -8.949 8.239
185 HB HIS 24 2HB HIS 24 -11.848 -10.583 6.320
186 HB HIS 24 QB HIS 24 -11.848 -10.583 6.320
187 HD1 HIS 24 1HD HIS 24 -12.763 -11.534 8.611
188 HD2 HIS 24 2HD HIS 24 -15.055 -8.449 6.930
189 HE1 HIS 24 1HE HIS 24 -14.998 -11.552 9.842
190 H THR 25 H THR 25 -10.540 -7.784 4.872
191 HA THR 25 HA THR 25 -8.107 -9.310 4.722
192 HB THR 25 HB THR 25 -8.057 -8.463 2.475
193 HG1 THR 25 1HG THR 25 -8.233 -6.206 3.034
194 1HG2 THR 25 1HG2 THR 25 -10.589 -9.329 3.522
195 2HG2 THR 25 2HG2 THR 25 -10.914 -7.945 2.452
196 3HG2 THR 25 3HG2 THR 25 -10.049 -9.370 1.827
197 H ALA 26 H ALA 26 -9.061 -5.957 5.514
198 HA ALA 26 HA ALA 26 -6.548 -4.801 5.346
199 1HB ALA 26 2HB ALA 26 -9.177 -4.143 6.259
200 2HB ALA 26 3HB ALA 26 -8.030 -3.695 7.545
201 3HB ALA 26 1HB ALA 26 -7.825 -3.042 5.902
202 H GLU 27 H GLU 27 -7.842 -7.179 7.559
203 HA GLU 27 HA GLU 27 -6.428 -6.618 9.826
204 HB GLU 27 2HB GLU 27 -6.599 -9.502 9.143
205 HB GLU 27 QB GLU 27 -6.599 -9.502 9.143
206 HG GLU 27 2HG GLU 27 -6.518 -8.119 11.463
207 HG GLU 27 QG GLU 27 -6.518 -8.119 11.463
208 HE1 GLU 27 HE GLU 27 -8.788 -6.375 12.336
209 H THR 28 H THR 28 -5.450 -8.624 6.966
210 HA THR 28 HA THR 28 -3.037 -9.543 7.809
211 HB THR 28 HB THR 28 -4.485 -9.481 5.455
212 HG1 THR 28 1HG THR 28 -2.827 -11.017 6.337
213 1HG2 THR 28 3HG2 THR 28 -3.386 -7.256 4.840
214 2HG2 THR 28 1HG2 THR 28 -1.812 -8.083 4.927
215 3HG2 THR 28 2HG2 THR 28 -3.013 -8.583 3.713
216 H LEU 29 H LEU 29 -3.755 -6.246 6.535
217 HA LEU 29 HA LEU 29 -1.033 -5.448 6.734
218 HB LEU 29 2HB LEU 29 -3.185 -3.418 6.726
219 HB LEU 29 QB LEU 29 -3.185 -3.418 6.726
220 HG LEU 29 HG LEU 29 -1.062 -2.565 6.142
221 1HD1 LEU 29 3HD1 LEU 29 -0.722 -5.167 4.782
222 2HD1 LEU 29 1HD1 LEU 29 0.005 -3.765 3.961
223 3HD1 LEU 29 2HD1 LEU 29 0.458 -4.148 5.640
224 1HD2 LEU 29 2HD2 LEU 29 -3.196 -2.389 4.432
225 2HD2 LEU 29 3HD2 LEU 29 -1.710 -1.415 4.335
226 3HD2 LEU 29 1HD2 LEU 29 -1.881 -2.880 3.339
227 H LYS 30 H LYS 30 -3.813 -5.610 8.910
228 HA LYS 30 HA LYS 30 -3.149 -3.700 10.760
229 HB LYS 30 2HB LYS 30 -4.195 -6.375 11.633
230 HB LYS 30 QB LYS 30 -4.195 -6.375 11.633
231 HG LYS 30 2HG LYS 30 -5.872 -4.718 12.713
232 HG LYS 30 QG LYS 30 -5.872 -4.718 12.713
233 HD LYS 30 2HD LYS 30 -4.348 -4.193 14.566
234 HD LYS 30 QD LYS 30 -4.348 -4.193 14.566
235 HE LYS 30 2HE LYS 30 -3.279 -6.785 13.395
236 HE LYS 30 QE LYS 30 -3.279 -6.785 13.395
237 1HZ LYS 30 1HZ LYS 30 -4.209 -6.959 16.014
238 2HZ LYS 30 2HZ LYS 30 -2.655 -6.985 15.530
239 H GLN 31 H GLN 31 -1.886 -7.061 10.391
240 HA GLN 31 HA GLN 31 -0.258 -6.812 12.687
241 HB GLN 31 2HB GLN 31 -0.954 -9.020 12.076
242 HB GLN 31 QB GLN 31 -0.954 -9.020 12.076
243 HG GLN 31 2HG GLN 31 0.178 -8.317 9.337
244 HG GLN 31 QG GLN 31 0.178 -8.317 9.337
245 1HE2 GLN 31 2HE2 GLN 31 -0.948 -12.139 9.139
246 2HE2 GLN 31 1HE2 GLN 31 -1.984 -10.753 9.200
247 H LYS 32 H LYS 32 0.128 -6.297 9.167
248 HA LYS 32 HA LYS 32 2.871 -6.227 8.997
249 HB LYS 32 2HB LYS 32 0.787 -4.606 7.506
250 HB LYS 32 QB LYS 32 0.787 -4.606 7.506
251 HG LYS 32 2HG LYS 32 3.198 -3.742 7.354
252 HG LYS 32 QG LYS 32 3.198 -3.742 7.354
253 HD LYS 32 2HD LYS 32 3.539 -6.521 6.145
254 HD LYS 32 QD LYS 32 3.539 -6.521 6.145
255 HE LYS 32 2HE LYS 32 4.860 -3.942 5.475
256 HE LYS 32 QE LYS 32 4.860 -3.942 5.475
257 1HZ LYS 32 1HZ LYS 32 6.458 -6.351 6.153
258 2HZ LYS 32 2HZ LYS 32 7.035 -5.114 5.266
259 H VAL 33 H VAL 33 0.712 -4.147 10.756
260 HA VAL 33 HA VAL 33 2.146 -1.763 10.681
261 HB VAL 33 HB VAL 33 0.458 -2.962 12.886
262 1HG1 VAL 33 1HG1 VAL 33 1.571 -0.201 12.424
263 2HG1 VAL 33 2HG1 VAL 33 0.034 -0.421 13.294
264 3HG1 VAL 33 3HG1 VAL 33 1.525 -1.168 13.917
265 1HG2 VAL 33 1HG2 VAL 33 -0.716 -2.865 10.725
266 2HG2 VAL 33 2HG2 VAL 33 -1.398 -1.711 11.896
267 3HG2 VAL 33 3HG2 VAL 33 -0.331 -1.132 10.594
268 H THR 34 H THR 34 2.202 -4.386 13.204
269 HA THR 34 HA THR 34 4.334 -3.336 14.640
270 HB THR 34 HB THR 34 3.013 -5.032 15.669
271 HG1 THR 34 1HG THR 34 4.673 -6.697 15.957
272 1HG2 THR 34 2HG2 THR 34 3.521 -6.618 13.106
273 2HG2 THR 34 3HG2 THR 34 2.946 -7.387 14.605
274 3HG2 THR 34 1HG2 THR 34 1.950 -6.151 13.800
275 H GLN 35 H GLN 35 4.299 -5.476 11.756
276 HA GLN 35 HA GLN 35 6.997 -6.080 11.839
277 HB GLN 35 2HB GLN 35 6.677 -6.557 9.360
278 HB GLN 35 QB GLN 35 6.677 -6.557 9.360
279 HG GLN 35 2HG GLN 35 5.045 -7.654 11.604
280 HG GLN 35 QG GLN 35 5.045 -7.654 11.604
281 1HE2 GLN 35 2HE2 GLN 35 2.112 -8.360 9.910
282 2HE2 GLN 35 1HE2 GLN 35 2.929 -7.710 11.292
283 H SER 36 H SER 36 5.184 -3.373 10.277
284 HA SER 36 HA SER 36 7.542 -2.311 9.126
285 HB SER 36 2HB SER 36 5.162 -0.546 9.527
286 HB SER 36 QB SER 36 5.162 -0.546 9.527
287 HG SER 36 HG SER 36 7.193 -0.891 7.724
288 H LEU 37 H LEU 37 5.851 -2.076 12.208
289 HA LEU 37 HA LEU 37 6.537 0.406 13.102
290 HB LEU 37 2HB LEU 37 6.907 -1.467 15.221
291 HB LEU 37 QB LEU 37 6.907 -1.467 15.221
292 HG LEU 37 HG LEU 37 4.254 -0.205 14.574
293 1HD1 LEU 37 2HD1 LEU 37 5.502 -1.495 16.861
294 2HD1 LEU 37 3HD1 LEU 37 4.879 0.122 17.267
295 3HD1 LEU 37 1HD1 LEU 37 3.794 -1.097 16.558
296 1HD2 LEU 37 2HD2 LEU 37 6.799 1.198 15.085
297 2HD2 LEU 37 3HD2 LEU 37 5.289 1.776 14.342
298 3HD2 LEU 37 1HD2 LEU 37 5.435 1.700 16.114
299 H GLU 38 H GLU 38 8.586 -2.500 12.720
300 HA GLU 38 HA GLU 38 10.876 -0.832 12.806
301 HB GLU 38 2HB GLU 38 11.925 -2.431 14.643
302 HB GLU 38 QB GLU 38 11.925 -2.431 14.643
303 HG GLU 38 2HG GLU 38 11.403 -0.798 16.353
304 HG GLU 38 QG GLU 38 11.403 -0.798 16.353
305 HE1 GLU 38 HE GLU 38 13.038 -0.832 14.184
306 H LYS 39 H LYS 39 10.834 -1.741 10.597
307 HA LYS 39 HA LYS 39 10.998 -4.531 10.198
308 HB LYS 39 2HB LYS 39 11.697 -2.182 8.413
309 HB LYS 39 QB LYS 39 11.697 -2.182 8.413
310 HG LYS 39 2HG LYS 39 12.688 -4.607 7.926
311 HG LYS 39 QG LYS 39 12.688 -4.607 7.926
312 HD LYS 39 2HD LYS 39 10.528 -5.364 6.261
313 HD LYS 39 QD LYS 39 10.528 -5.364 6.261
314 HE LYS 39 2HE LYS 39 10.715 -6.839 8.816
315 HE LYS 39 QE LYS 39 10.715 -6.839 8.816
316 1HZ LYS 39 1HZ LYS 39 11.594 -7.640 6.101
317 2HZ LYS 39 2HZ LYS 39 11.102 -8.616 7.309
318 H ASP 40 H ASP 40 13.468 -1.875 10.227
319 HA ASP 40 HA ASP 40 15.352 -2.971 11.640
320 HB ASP 40 2HB ASP 40 16.801 -3.956 9.517
321 HB ASP 40 QB ASP 40 16.801 -3.956 9.517
322 HD2 ASP 40 HD ASP 40 15.739 -6.505 9.283
323 H ASP 41 H ASP 41 16.221 -2.706 8.169
324 HA ASP 41 HA ASP 41 17.723 -0.368 8.723
325 HB ASP 41 2HB ASP 41 17.127 -1.370 5.929
326 HB ASP 41 QB ASP 41 17.127 -1.370 5.929
327 HD1 ASP 41 HD ASP 41 20.199 0.702 7.223
328 H ILE 42 H ILE 42 17.111 0.550 5.781
329 HA ILE 42 HA ILE 42 14.466 1.718 6.266
330 HB ILE 42 HB ILE 42 17.066 3.077 5.894
331 HG1 ILE 42 2HG1 ILE 42 15.753 4.857 7.167
332 HG1 ILE 42 QG1 ILE 42 15.753 4.857 7.167
333 1HG2 ILE 42 3HG2 ILE 42 14.667 3.697 4.245
334 2HG2 ILE 42 1HG2 ILE 42 15.545 5.065 4.971
335 3HG2 ILE 42 2HG2 ILE 42 16.397 3.930 3.898
336 1HD1 ILE 42 2HD1 ILE 42 13.529 3.482 6.459
337 2HD1 ILE 42 3HD1 ILE 42 13.890 2.659 7.995
338 3HD1 ILE 42 1HD1 ILE 42 13.630 4.420 7.968
339 H ARG 43 H ARG 43 13.777 -0.088 4.868
340 HA ARG 43 HA ARG 43 14.806 -0.098 2.221
341 HB ARG 43 2HB ARG 43 12.466 -1.622 2.172
342 HB ARG 43 QB ARG 43 12.466 -1.622 2.172
343 HG ARG 43 2HG ARG 43 14.861 -2.927 3.401
344 HG ARG 43 QG ARG 43 14.861 -2.927 3.401
345 HD ARG 43 2HD ARG 43 14.531 -4.208 1.101
346 HD ARG 43 QD ARG 43 14.531 -4.208 1.101
347 HE ARG 43 HE ARG 43 12.216 -4.800 2.739
348 1HH1 ARG 43 2HH2 ARG 43 15.759 -4.834 2.786
349 2HH1 ARG 43 1HH2 ARG 43 15.854 -6.081 3.984
350 HH2 ARG 43 1HH ARG 43 13.833 -7.014 4.871
351 H HIS 44 H HIS 44 12.327 -0.623 0.774
352 HA HIS 44 HA HIS 44 10.974 1.959 1.028
353 HB HIS 44 2HB HIS 44 10.819 1.886 -1.524
354 HB HIS 44 QB HIS 44 10.819 1.886 -1.524
355 HD1 HIS 44 1HD HIS 44 11.760 4.015 0.374
356 HD2 HIS 44 2HD HIS 44 14.403 1.892 -2.097
357 HE1 HIS 44 1HE HIS 44 13.841 5.472 0.136
358 H ILE 45 H ILE 45 8.766 1.942 -0.052
359 HA ILE 45 HA ILE 45 7.574 -0.696 0.396
360 HB ILE 45 HB ILE 45 5.755 0.312 1.246
361 HG1 ILE 45 2HG1 ILE 45 5.129 2.747 0.586
362 HG1 ILE 45 QG1 ILE 45 5.129 2.747 0.586
363 1HG2 ILE 45 3HG2 ILE 45 7.732 1.081 2.543
364 2HG2 ILE 45 1HG2 ILE 45 7.710 2.597 1.610
365 3HG2 ILE 45 2HG2 ILE 45 6.332 2.174 2.654
366 1HD1 ILE 45 3HD1 ILE 45 7.519 2.441 -0.922
367 2HD1 ILE 45 1HD1 ILE 45 6.183 2.326 -2.092
368 3HD1 ILE 45 2HD1 ILE 45 6.329 3.758 -1.046
369 H VAL 46 H VAL 46 5.850 -1.405 -1.088
370 HA VAL 46 HA VAL 46 5.587 -0.052 -3.589
371 HB VAL 46 HB VAL 46 7.518 -2.262 -3.245
372 1HG1 VAL 46 2HG1 VAL 46 5.678 -3.428 -4.409
373 2HG1 VAL 46 3HG1 VAL 46 5.693 -2.174 -5.673
374 3HG1 VAL 46 1HG1 VAL 46 7.108 -3.230 -5.450
375 1HG2 VAL 46 2HG2 VAL 46 7.847 0.219 -4.037
376 2HG2 VAL 46 3HG2 VAL 46 8.760 -1.096 -4.816
377 3HG2 VAL 46 1HG2 VAL 46 7.320 -0.418 -5.613
378 H LEU 47 H LEU 47 3.375 -0.106 -2.869
379 HA LEU 47 HA LEU 47 2.185 -2.683 -2.391
380 HB LEU 47 2HB LEU 47 0.099 -1.302 -2.201
381 HB LEU 47 QB LEU 47 0.099 -1.302 -2.201
382 HG LEU 47 HG LEU 47 0.715 -0.044 -0.160
383 1HD1 LEU 47 3HD1 LEU 47 0.424 -2.672 -0.417
384 2HD1 LEU 47 1HD1 LEU 47 2.112 -2.660 0.144
385 3HD1 LEU 47 2HD1 LEU 47 0.840 -1.911 1.137
386 1HD2 LEU 47 3HD2 LEU 47 2.956 0.693 -0.937
387 2HD2 LEU 47 1HD2 LEU 47 2.967 -0.022 0.692
388 3HD2 LEU 47 2HD2 LEU 47 3.549 -0.968 -0.698
389 H ASN 48 H ASN 48 0.421 -3.570 -3.687
390 HA ASN 48 HA ASN 48 -0.262 -2.490 -6.142
391 HB ASN 48 2HB ASN 48 1.727 -3.030 -7.236
392 HB ASN 48 QB ASN 48 1.727 -3.030 -7.236
393 1HD2 ASN 48 2HD2 ASN 48 4.339 -5.188 -6.168
394 2HD2 ASN 48 1HD2 ASN 48 3.611 -4.419 -7.539
395 H LEU 49 H LEU 49 -2.376 -3.276 -5.942
396 HA LEU 49 HA LEU 49 -2.680 -6.082 -5.147
397 HB LEU 49 2HB LEU 49 -3.885 -3.714 -4.229
398 HB LEU 49 QB LEU 49 -3.885 -3.714 -4.229
399 HG LEU 49 HG LEU 49 -5.645 -5.090 -6.122
400 1HD1 LEU 49 1HD1 LEU 49 -6.104 -5.685 -3.391
401 2HD1 LEU 49 2HD1 LEU 49 -7.342 -4.506 -3.888
402 3HD1 LEU 49 3HD1 LEU 49 -7.149 -6.028 -4.791
403 1HD2 LEU 49 1HD2 LEU 49 -5.096 -2.477 -5.253
404 2HD2 LEU 49 2HD2 LEU 49 -6.284 -2.995 -6.474
405 3HD2 LEU 49 3HD2 LEU 49 -6.780 -2.802 -4.776
406 H GLU 50 H GLU 50 -3.195 -7.525 -6.697
407 HA GLU 50 HA GLU 50 -4.142 -6.419 -9.207
408 HB GLU 50 2HB GLU 50 -3.534 -9.275 -9.267
409 HB GLU 50 QB GLU 50 -3.534 -9.275 -9.267
410 HG GLU 50 2HG GLU 50 -3.527 -7.544 -11.175
411 HG GLU 50 QG GLU 50 -3.527 -7.544 -11.175
412 HE2 GLU 50 HE GLU 50 -0.635 -5.503 -11.577
413 H ASP 51 H ASP 51 -5.120 -8.266 -6.410
414 HA ASP 51 HA ASP 51 -7.424 -9.273 -7.861
415 HB ASP 51 2HB ASP 51 -6.235 -9.912 -5.129
416 HB ASP 51 QB ASP 51 -6.235 -9.912 -5.129
417 HD1 ASP 51 HD ASP 51 -10.013 -10.708 -5.525
418 H LEU 52 H LEU 52 -8.070 -6.814 -7.849
419 HA LEU 52 HA LEU 52 -9.038 -5.945 -5.241
420 HB LEU 52 2HB LEU 52 -8.639 -4.563 -7.888
421 HB LEU 52 QB LEU 52 -8.639 -4.563 -7.888
422 HG LEU 52 HG LEU 52 -9.258 -2.464 -6.878
423 1HD1 LEU 52 3HD1 LEU 52 -11.004 -4.214 -7.881
424 2HD1 LEU 52 1HD1 LEU 52 -11.686 -4.067 -6.244
425 3HD1 LEU 52 2HD1 LEU 52 -11.492 -2.618 -7.261
426 1HD2 LEU 52 3HD2 LEU 52 -8.668 -3.287 -4.514
427 2HD2 LEU 52 1HD2 LEU 52 -10.023 -2.147 -4.695
428 3HD2 LEU 52 2HD2 LEU 52 -10.345 -3.880 -4.450
429 H SER 53 H SER 53 -11.127 -6.176 -4.640
430 HA SER 53 HA SER 53 -13.062 -6.466 -6.788
431 HB SER 53 2HB SER 53 -12.498 -8.376 -4.531
432 HB SER 53 QB SER 53 -12.498 -8.376 -4.531
433 HG SER 53 HG SER 53 -14.572 -8.493 -4.030
434 H PHE 54 H PHE 54 -13.566 -6.969 -3.267
435 HA PHE 54 HA PHE 54 -15.676 -5.185 -3.121
436 HB PHE 54 2HB PHE 54 -13.647 -6.260 -1.074
437 HB PHE 54 QB PHE 54 -13.647 -6.260 -1.074
438 HD1 PHE 54 1HD PHE 54 -17.277 -5.357 -1.156
439 HD2 PHE 54 2HD PHE 54 -13.579 -5.100 0.909
440 HE1 PHE 54 1HE PHE 54 -18.405 -4.117 0.711
441 HE2 PHE 54 2HE PHE 54 -14.708 -3.860 2.777
442 HZ PHE 54 HZ PHE 54 -17.108 -3.383 2.655
443 H MET 55 H MET 55 -12.414 -4.760 -1.559
444 HA MET 55 HA MET 55 -11.468 -2.919 -0.805
445 HB MET 55 2HB MET 55 -11.787 -2.817 -3.740
446 HB MET 55 QB MET 55 -11.787 -2.817 -3.740
447 HG MET 55 2HG MET 55 -10.672 -0.366 -3.609
448 HG MET 55 QG MET 55 -10.672 -0.366 -3.609
449 1HE MET 55 3HE MET 55 -12.031 -2.235 -5.410
450 2HE MET 55 1HE MET 55 -13.429 -2.779 -4.451
451 3HE MET 55 2HE MET 55 -13.683 -1.857 -5.953
452 H ASP 56 H ASP 56 -12.818 -2.025 0.797
453 HA ASP 56 HA ASP 56 -14.582 0.075 -0.197
454 HB ASP 56 2HB ASP 56 -14.909 -1.192 2.530
455 HB ASP 56 QB ASP 56 -14.909 -1.192 2.530
456 HD1 ASP 56 HD ASP 56 -17.251 -1.107 -0.014
457 H SER 57 H SER 57 -15.037 0.946 2.676
458 HA SER 57 HA SER 57 -12.497 2.310 2.981
459 HB SER 57 2HB SER 57 -14.775 3.532 2.784
460 HB SER 57 QB SER 57 -14.775 3.532 2.784
461 HG SER 57 HG SER 57 -16.181 3.351 4.396
462 H SER 58 H SER 58 -12.782 -0.491 3.789
463 HA SER 58 HA SER 58 -13.066 -0.356 6.650
464 HB SER 58 2HB SER 58 -13.463 -2.605 6.556
465 HB SER 58 QB SER 58 -13.463 -2.605 6.556
466 HG SER 58 HG SER 58 -14.637 -1.708 4.649
467 H GLY 59 H GLY 59 -10.588 -1.202 4.140
468 1HA GLY 59 1HA GLY 59 -8.507 -1.244 6.203
469 2HA GLY 59 2HA GLY 59 -8.372 -1.798 4.545
470 H LEU 60 H LEU 60 -10.074 1.038 4.249
471 HA LEU 60 HA LEU 60 -8.080 2.435 3.004
472 HB LEU 60 2HB LEU 60 -10.175 4.003 4.392
473 HB LEU 60 QB LEU 60 -10.175 4.003 4.392
474 HG LEU 60 HG LEU 60 -10.716 4.493 1.886
475 1HD1 LEU 60 3HD1 LEU 60 -9.309 5.808 3.816
476 2HD1 LEU 60 1HD1 LEU 60 -8.112 5.724 2.502
477 3HD1 LEU 60 2HD1 LEU 60 -9.702 6.468 2.210
478 1HD2 LEU 60 2HD2 LEU 60 -9.158 2.605 1.145
479 2HD2 LEU 60 3HD2 LEU 60 -9.030 4.161 0.290
480 3HD2 LEU 60 1HD2 LEU 60 -7.822 3.722 1.521
481 H GLY 61 H GLY 61 -9.098 2.527 6.462
482 1HA GLY 61 1HA GLY 61 -7.181 4.565 7.131
483 2HA GLY 61 2HA GLY 61 -8.199 3.647 8.222
484 H VAL 62 H VAL 62 -7.359 0.984 7.139
485 HA VAL 62 HA VAL 62 -5.170 0.569 8.848
486 HB VAL 62 HB VAL 62 -7.101 -0.946 7.593
487 1HG1 VAL 62 1HG1 VAL 62 -4.388 -1.668 6.437
488 2HG1 VAL 62 2HG1 VAL 62 -5.819 -2.725 6.398
489 3HG1 VAL 62 3HG1 VAL 62 -5.842 -1.164 5.543
490 1HG2 VAL 62 3HG2 VAL 62 -5.685 -1.180 9.806
491 2HG2 VAL 62 1HG2 VAL 62 -6.457 -2.603 9.066
492 3HG2 VAL 62 2HG2 VAL 62 -4.719 -2.302 8.818
493 H ILE 63 H ILE 63 -5.470 1.582 5.498
494 HA ILE 63 HA ILE 63 -2.729 0.853 4.909
495 HB ILE 63 HB ILE 63 -5.116 1.718 3.406
496 HG1 ILE 63 2HG1 ILE 63 -3.340 -0.510 3.539
497 HG1 ILE 63 QG1 ILE 63 -3.340 -0.510 3.539
498 1HG2 ILE 63 2HG2 ILE 63 -2.402 2.807 2.834
499 2HG2 ILE 63 3HG2 ILE 63 -3.374 2.232 1.459
500 3HG2 ILE 63 1HG2 ILE 63 -4.012 3.502 2.530
501 1HD1 ILE 63 2HD1 ILE 63 -5.992 -0.043 3.027
502 2HD1 ILE 63 3HD1 ILE 63 -5.394 -0.371 1.383
503 3HD1 ILE 63 1HD1 ILE 63 -5.174 -1.582 2.668
504 H LEU 64 H LEU 64 -4.725 3.682 5.781
505 HA LEU 64 HA LEU 64 -2.790 5.619 5.150
506 HB LEU 64 2HB LEU 64 -4.520 6.346 7.351
507 HB LEU 64 QB LEU 64 -4.520 6.346 7.351
508 HG LEU 64 HG LEU 64 -3.568 7.687 5.220
509 1HD1 LEU 64 2HD1 LEU 64 -6.356 6.823 4.408
510 2HD1 LEU 64 3HD1 LEU 64 -5.441 8.155 3.664
511 3HD1 LEU 64 1HD1 LEU 64 -4.831 6.487 3.554
512 1HD2 LEU 64 3HD2 LEU 64 -5.836 8.119 7.089
513 2HD2 LEU 64 1HD2 LEU 64 -4.357 9.074 6.826
514 3HD2 LEU 64 2HD2 LEU 64 -5.722 9.217 5.693
515 H GLY 65 H GLY 65 -3.560 3.776 8.160
516 1HA GLY 65 1HA GLY 65 -1.594 5.076 9.747
517 2HA GLY 65 2HA GLY 65 -2.431 3.578 10.103
518 H ARG 66 H ARG 66 -1.526 2.477 7.347
519 HA ARG 66 HA ARG 66 0.941 1.459 8.374
520 HB ARG 66 2HB ARG 66 0.483 0.408 5.769
521 HB ARG 66 QB ARG 66 0.483 0.408 5.769
522 HG ARG 66 2HG ARG 66 0.954 -0.596 8.267
523 HG ARG 66 QG ARG 66 0.954 -0.596 8.267
524 HD ARG 66 2HD ARG 66 -0.951 -2.003 8.934
525 HD ARG 66 QD ARG 66 -0.951 -2.003 8.934
526 HE ARG 66 HE ARG 66 -1.150 0.888 8.983
527 1HH1 ARG 66 2HH2 ARG 66 -2.970 -2.058 9.732
528 2HH1 ARG 66 1HH2 ARG 66 -3.962 -1.291 10.927
529 HH2 ARG 66 1HH ARG 66 -3.645 1.038 11.397
530 H TYR 67 H TYR 67 -0.254 3.733 5.939
531 HA TYR 67 HA TYR 67 1.861 3.771 4.161
532 HB TYR 67 2HB TYR 67 0.497 6.296 5.180
533 HB TYR 67 QB TYR 67 0.497 6.296 5.180
534 HD1 TYR 67 1HD TYR 67 -0.027 4.211 2.123
535 HD2 TYR 67 2HD TYR 67 1.570 7.831 3.753
536 HE1 TYR 67 1HE TYR 67 0.430 5.075 -0.224
537 HE2 TYR 67 2HE TYR 67 2.020 8.683 1.401
538 HH TYR 67 HH TYR 67 2.384 7.061 -1.062
539 H LYS 68 H LYS 68 1.379 5.689 7.205
540 HA LYS 68 HA LYS 68 3.920 6.951 6.926
541 HB LYS 68 2HB LYS 68 3.379 8.078 8.927
542 HB LYS 68 QB LYS 68 3.379 8.078 8.927
543 HG LYS 68 2HG LYS 68 0.806 8.491 8.643
544 HG LYS 68 QG LYS 68 0.806 8.491 8.643
545 HD LYS 68 2HD LYS 68 1.231 9.546 6.315
546 HD LYS 68 QD LYS 68 1.231 9.546 6.315
547 HE LYS 68 2HE LYS 68 2.697 11.270 7.223
548 HE LYS 68 QE LYS 68 2.697 11.270 7.223
549 1HZ LYS 68 1HZ LYS 68 1.309 11.825 8.922
550 2HZ LYS 68 2HZ LYS 68 0.447 10.521 8.467
551 H GLN 69 H GLN 69 2.608 4.060 8.561
552 HA GLN 69 HA GLN 69 4.899 3.669 10.145
553 HB GLN 69 2HB GLN 69 3.281 1.277 9.447
554 HB GLN 69 QB GLN 69 3.281 1.277 9.447
555 HG GLN 69 2HG GLN 69 4.889 1.818 11.499
556 HG GLN 69 QG GLN 69 4.889 1.818 11.499
557 1HE2 GLN 69 2HE2 GLN 69 2.284 2.932 14.228
558 2HE2 GLN 69 1HE2 GLN 69 2.573 1.348 13.592
559 H ILE 70 H ILE 70 4.030 2.977 6.806
560 HA ILE 70 HA ILE 70 6.241 1.093 6.553
561 HB ILE 70 HB ILE 70 3.927 0.671 5.620
562 HG1 ILE 70 2HG1 ILE 70 6.403 0.522 3.889
563 HG1 ILE 70 QG1 ILE 70 6.403 0.522 3.889
564 1HG2 ILE 70 3HG2 ILE 70 4.456 3.187 4.348
565 2HG2 ILE 70 1HG2 ILE 70 4.249 1.927 3.107
566 3HG2 ILE 70 2HG2 ILE 70 2.978 2.197 4.323
567 1HD1 ILE 70 2HD1 ILE 70 5.007 -1.235 5.908
568 2HD1 ILE 70 3HD1 ILE 70 5.887 -1.996 4.561
569 3HD1 ILE 70 1HD1 ILE 70 6.747 -0.926 5.694
570 H LYS 71 H LYS 71 5.242 4.418 5.832
571 HA LYS 71 HA LYS 71 7.369 4.856 3.972
572 HB LYS 71 2HB LYS 71 5.018 6.033 4.250
573 HB LYS 71 QB LYS 71 5.018 6.033 4.250
574 HG LYS 71 2HG LYS 71 5.956 6.892 6.604
575 HG LYS 71 QG LYS 71 5.956 6.892 6.604
576 HD LYS 71 2HD LYS 71 7.229 8.696 4.524
577 HD LYS 71 QD LYS 71 7.229 8.696 4.524
578 HE LYS 71 2HE LYS 71 7.399 9.883 7.136
579 HE LYS 71 QE LYS 71 7.399 9.883 7.136
580 1HZ LYS 71 1HZ LYS 71 6.318 11.722 5.910
581 2HZ LYS 71 2HZ LYS 71 7.551 11.093 5.051
582 H GLN 72 H GLN 72 6.783 5.300 7.477
583 HA GLN 72 HA GLN 72 8.910 6.936 8.017
584 HB GLN 72 2HB GLN 72 7.175 5.068 9.527
585 HB GLN 72 QB GLN 72 7.175 5.068 9.527
586 HG GLN 72 2HG GLN 72 10.054 5.348 10.188
587 HG GLN 72 QG GLN 72 10.054 5.348 10.188
588 1HE2 GLN 72 2HE2 GLN 72 10.084 6.478 13.500
589 2HE2 GLN 72 1HE2 GLN 72 10.892 5.600 12.244
590 H ILE 73 H ILE 73 8.760 3.388 7.520
591 HA ILE 73 HA ILE 73 11.691 3.356 7.733
592 HB ILE 73 HB ILE 73 10.001 0.926 8.170
593 HG1 ILE 73 2HG1 ILE 73 10.306 3.247 10.025
594 HG1 ILE 73 QG1 ILE 73 10.306 3.247 10.025
595 1HG2 ILE 73 2HG2 ILE 73 12.499 0.833 7.847
596 2HG2 ILE 73 3HG2 ILE 73 12.656 1.722 9.381
597 3HG2 ILE 73 1HG2 ILE 73 11.892 0.115 9.358
598 1HD1 ILE 73 2HD1 ILE 73 8.236 1.192 9.241
599 2HD1 ILE 73 3HD1 ILE 73 8.129 1.958 10.843
600 3HD1 ILE 73 1HD1 ILE 73 8.078 2.960 9.374
601 H GLY 74 H GLY 74 9.680 3.939 5.463
602 1HA GLY 74 1HA GLY 74 10.717 1.868 3.622
603 2HA GLY 74 2HA GLY 74 9.075 2.475 3.537
604 H GLY 75 H GLY 75 11.103 4.997 4.601
605 1HA GLY 75 1HA GLY 75 12.005 6.807 3.615
606 2HA GLY 75 2HA GLY 75 12.304 5.835 2.188
607 H GLU 76 H GLU 76 9.957 5.145 1.098
608 HA GLU 76 HA GLU 76 8.305 7.528 1.087
609 HB GLU 76 2HB GLU 76 8.453 7.890 -1.229
610 HB GLU 76 QB GLU 76 8.453 7.890 -1.229
611 HG GLU 76 2HG GLU 76 10.939 7.637 -1.848
612 HG GLU 76 QG GLU 76 10.939 7.637 -1.848
613 HE1 GLU 76 HE GLU 76 9.242 9.828 -1.032
614 H MET 77 H MET 77 6.094 7.138 0.430
615 HA MET 77 HA MET 77 5.474 4.287 0.403
616 HB MET 77 2HB MET 77 3.414 6.396 1.084
617 HB MET 77 QB MET 77 3.414 6.396 1.084
618 HG MET 77 2HG MET 77 2.633 4.697 2.655
619 HG MET 77 QG MET 77 2.633 4.697 2.655
620 1HE MET 77 3HE MET 77 1.412 2.848 2.463
621 2HE MET 77 1HE MET 77 0.530 2.547 0.947
622 3HE MET 77 2HE MET 77 1.872 1.480 1.423
623 H VAL 78 H VAL 78 4.576 3.472 -1.443
624 HA VAL 78 HA VAL 78 3.129 5.358 -3.161
625 HB VAL 78 HB VAL 78 5.014 3.217 -4.152
626 1HG1 VAL 78 1HG1 VAL 78 3.376 5.389 -5.455
627 2HG1 VAL 78 2HG1 VAL 78 4.841 4.753 -6.241
628 3HG1 VAL 78 3HG1 VAL 78 3.488 3.660 -5.864
629 1HG2 VAL 78 2HG2 VAL 78 5.529 6.195 -3.844
630 2HG2 VAL 78 3HG2 VAL 78 6.326 4.882 -2.945
631 3HG2 VAL 78 1HG2 VAL 78 6.586 5.046 -4.698
632 H VAL 79 H VAL 79 1.526 4.292 -4.580
633 HA VAL 79 HA VAL 79 0.893 1.551 -3.903
634 HB VAL 79 HB VAL 79 -1.299 3.562 -3.587
635 1HG1 VAL 79 3HG1 VAL 79 -1.859 1.181 -3.714
636 2HG1 VAL 79 1HG1 VAL 79 -0.762 0.837 -2.354
637 3HG1 VAL 79 2HG1 VAL 79 -2.217 1.830 -2.095
638 1HG2 VAL 79 2HG2 VAL 79 0.680 2.807 -1.409
639 2HG2 VAL 79 3HG2 VAL 79 0.426 4.425 -2.105
640 3HG2 VAL 79 1HG2 VAL 79 -0.863 3.657 -1.147
641 H CYS 80 H CYS 80 -0.080 0.496 -5.618
642 HA CYS 80 HA CYS 80 -1.079 2.186 -7.774
643 HB CYS 80 2HB CYS 80 1.255 1.652 -8.347
644 HB CYS 80 QB CYS 80 1.255 1.652 -8.347
645 HG CYS 80 HG CYS 80 0.787 -1.333 -9.189
646 H ALA 81 H ALA 81 -1.788 0.165 -9.571
647 HA ALA 81 HA ALA 81 -3.188 -1.512 -9.961
648 1HB ALA 81 3HB ALA 81 -1.865 -2.326 -7.602
649 2HB ALA 81 1HB ALA 81 -3.596 -2.605 -7.300
650 3HB ALA 81 2HB ALA 81 -2.810 -3.345 -8.714
651 H ILE 82 H ILE 82 -3.967 1.221 -9.202
652 HA ILE 82 HA ILE 82 -6.223 1.066 -7.492
653 HB ILE 82 HB ILE 82 -4.719 3.063 -8.090
654 HG1 ILE 82 2HG1 ILE 82 -7.534 2.874 -7.360
655 HG1 ILE 82 QG1 ILE 82 -7.534 2.874 -7.360
656 1HG2 ILE 82 3HG2 ILE 82 -4.974 2.887 -10.532
657 2HG2 ILE 82 1HG2 ILE 82 -6.706 3.267 -10.370
658 3HG2 ILE 82 2HG2 ILE 82 -5.482 4.476 -9.913
659 1HD1 ILE 82 3HD1 ILE 82 -5.556 3.256 -5.830
660 2HD1 ILE 82 1HD1 ILE 82 -5.354 4.860 -6.576
661 3HD1 ILE 82 2HD1 ILE 82 -6.836 4.483 -5.665
662 H SER 83 H SER 83 -8.112 2.584 -9.136
663 HA SER 83 HA SER 83 -8.678 1.211 -11.479
664 HB SER 83 2HB SER 83 -10.020 -0.528 -10.894
665 HB SER 83 QB SER 83 -10.020 -0.528 -10.894
666 HG SER 83 HG SER 83 -9.520 -1.480 -8.925
667 HA PRO 84 HA PRO 84 -11.515 4.505 -11.662
668 HB PRO 84 2HB PRO 84 -11.896 4.213 -13.914
669 HB PRO 84 QB PRO 84 -11.896 4.213 -13.914
670 HG PRO 84 2HG PRO 84 -11.531 2.069 -14.682
671 HG PRO 84 QG PRO 84 -11.531 2.069 -14.682
672 HD PRO 84 2HD PRO 84 -10.057 1.311 -13.089
673 HD PRO 84 QD PRO 84 -10.057 1.311 -13.089
674 H ALA 85 H ALA 85 -12.215 1.855 -9.953
675 HA ALA 85 HA ALA 85 -14.580 3.182 -8.861
676 1HB ALA 85 1HB ALA 85 -15.184 1.300 -10.490
677 2HB ALA 85 2HB ALA 85 -14.445 0.184 -9.317
678 3HB ALA 85 3HB ALA 85 -15.853 1.166 -8.847
679 H VAL 86 H VAL 86 -11.657 3.006 -8.159
680 HA VAL 86 HA VAL 86 -12.072 1.899 -5.484
681 HB VAL 86 HB VAL 86 -9.914 1.218 -7.455
682 1HG1 VAL 86 3HG1 VAL 86 -9.599 1.633 -4.525
683 2HG1 VAL 86 1HG1 VAL 86 -8.884 0.151 -5.204
684 3HG1 VAL 86 2HG1 VAL 86 -8.403 1.744 -5.839
685 1HG2 VAL 86 2HG2 VAL 86 -12.119 -0.145 -6.570
686 2HG2 VAL 86 3HG2 VAL 86 -10.651 -0.901 -7.236
687 3HG2 VAL 86 1HG2 VAL 86 -10.857 -0.756 -5.474
688 H LYS 87 H LYS 87 -10.323 4.047 -7.761
689 HA LYS 87 HA LYS 87 -8.901 5.400 -5.710
690 HB LYS 87 2HB LYS 87 -8.874 5.282 -8.525
691 HB LYS 87 QB LYS 87 -8.874 5.282 -8.525
692 HG LYS 87 2HG LYS 87 -9.328 8.110 -7.458
693 HG LYS 87 QG LYS 87 -9.328 8.110 -7.458
694 HD LYS 87 2HD LYS 87 -8.157 7.014 -10.019
695 HD LYS 87 QD LYS 87 -8.157 7.014 -10.019
696 HE LYS 87 2HE LYS 87 -10.254 9.094 -9.825
697 HE LYS 87 QE LYS 87 -10.254 9.094 -9.825
698 1HZ LYS 87 1HZ LYS 87 -7.595 9.738 -10.944
699 2HZ LYS 87 2HZ LYS 87 -8.937 10.420 -11.567
700 H ARG 88 H ARG 88 -12.191 5.297 -6.584
701 HA ARG 88 HA ARG 88 -12.823 7.991 -6.264
702 HB ARG 88 2HB ARG 88 -14.245 6.040 -7.263
703 HB ARG 88 QB ARG 88 -14.245 6.040 -7.263
704 HG ARG 88 2HG ARG 88 -15.939 5.204 -5.515
705 HG ARG 88 QG ARG 88 -15.939 5.204 -5.515
706 HD ARG 88 2HD ARG 88 -13.255 4.115 -4.721
707 HD ARG 88 QD ARG 88 -13.255 4.115 -4.721
708 HE ARG 88 HE ARG 88 -14.738 2.355 -4.392
709 1HH1 ARG 88 2HH2 ARG 88 -15.832 4.183 -7.223
710 2HH1 ARG 88 1HH2 ARG 88 -17.173 3.134 -7.538
711 HH2 ARG 88 1HH ARG 88 -17.552 1.251 -6.104
712 H LEU 89 H LEU 89 -12.029 5.399 -4.037
713 HA LEU 89 HA LEU 89 -13.431 6.370 -1.788
714 HB LEU 89 2HB LEU 89 -11.217 4.948 -0.881
715 HB LEU 89 QB LEU 89 -11.217 4.948 -0.881
716 HG LEU 89 HG LEU 89 -13.917 3.865 -1.733
717 1HD1 LEU 89 3HD1 LEU 89 -12.014 2.182 -1.534
718 2HD1 LEU 89 1HD1 LEU 89 -12.004 2.562 0.206
719 3HD1 LEU 89 2HD1 LEU 89 -13.467 1.884 -0.550
720 1HD2 LEU 89 2HD2 LEU 89 -13.400 5.690 0.243
721 2HD2 LEU 89 3HD2 LEU 89 -14.783 4.571 0.206
722 3HD2 LEU 89 1HD2 LEU 89 -13.321 4.149 1.130
723 H PHE 90 H PHE 90 -10.072 6.816 -3.045
724 HA PHE 90 HA PHE 90 -9.497 8.642 -0.886
725 HB PHE 90 2HB PHE 90 -7.262 8.594 -1.920
726 HB PHE 90 QB PHE 90 -7.262 8.594 -1.920
727 HD1 PHE 90 2HD PHE 90 -8.628 5.697 -3.716
728 HD2 PHE 90 1HD PHE 90 -6.818 7.053 -0.125
729 HE1 PHE 90 2HE PHE 90 -8.179 3.320 -3.044
730 HE2 PHE 90 1HE PHE 90 -6.370 4.676 0.546
731 HZ PHE 90 HZ PHE 90 -7.055 2.838 -0.921
732 H ASP 91 H ASP 91 -10.840 8.743 -4.097
733 HA ASP 91 HA ASP 91 -9.893 11.282 -4.803
734 HB ASP 91 2HB ASP 91 -12.523 10.688 -5.916
735 HB ASP 91 QB ASP 91 -12.523 10.688 -5.916
736 HD2 ASP 91 HD ASP 91 -11.636 9.569 -8.336
737 H MET 92 H MET 92 -12.675 9.977 -2.959
738 HA MET 92 HA MET 92 -13.948 12.546 -2.858
739 HB MET 92 2HB MET 92 -14.565 9.888 -1.449
740 HB MET 92 QB MET 92 -14.565 9.888 -1.449
741 HG MET 92 2HG MET 92 -16.574 12.081 -2.035
742 HG MET 92 QG MET 92 -16.574 12.081 -2.035
743 1HE MET 92 1HE MET 92 -15.092 10.251 0.837
744 2HE MET 92 2HE MET 92 -16.502 10.803 1.773
745 3HE MET 92 3HE MET 92 -16.311 9.076 1.387
746 H SER 93 H SER 93 -11.917 10.430 -0.821
747 HA SER 93 HA SER 93 -12.405 11.768 1.574
748 HB SER 93 2HB SER 93 -10.177 9.975 0.566
749 HB SER 93 QB SER 93 -10.177 9.975 0.566
750 HG SER 93 HG SER 93 -9.751 9.939 3.052
751 H GLY 94 H GLY 94 -9.905 12.117 -1.013
752 1HA GLY 94 1HA GLY 94 -8.878 14.076 -1.640
753 2HA GLY 94 2HA GLY 94 -9.460 14.871 -0.191
754 H LEU 95 H LEU 95 -8.414 12.131 1.180
755 HA LEU 95 HA LEU 95 -5.860 13.304 1.843
756 HB LEU 95 2HB LEU 95 -6.940 10.727 2.934
757 HB LEU 95 QB LEU 95 -6.940 10.727 2.934
758 HG LEU 95 HG LEU 95 -4.934 11.139 4.012
759 1HD1 LEU 95 2HD1 LEU 95 -5.588 14.087 3.840
760 2HD1 LEU 95 3HD1 LEU 95 -4.234 13.432 4.793
761 3HD1 LEU 95 1HD1 LEU 95 -4.276 13.199 3.030
762 1HD2 LEU 95 3HD2 LEU 95 -7.026 11.075 5.530
763 2HD2 LEU 95 1HD2 LEU 95 -5.464 11.561 6.234
764 3HD2 LEU 95 2HD2 LEU 95 -6.677 12.796 5.820
765 H PHE 96 H PHE 96 -6.785 11.764 -0.812
766 HA PHE 96 HA PHE 96 -5.425 9.437 -1.087
767 HB PHE 96 2HB PHE 96 -5.092 11.453 -3.287
768 HB PHE 96 QB PHE 96 -5.092 11.453 -3.287
769 HD1 PHE 96 1HD PHE 96 -4.858 8.292 -2.429
770 HD2 PHE 96 2HD PHE 96 -7.277 10.619 -5.025
771 HE1 PHE 96 1HE PHE 96 -5.266 6.270 -3.861
772 HE2 PHE 96 2HE PHE 96 -7.685 8.598 -6.457
773 HZ PHE 96 HZ PHE 96 -6.675 6.447 -5.857
774 H LYS 97 H LYS 97 -4.108 12.757 -0.959
775 HA LYS 97 HA LYS 97 -1.580 12.172 -1.995
776 HB LYS 97 2HB LYS 97 -0.913 14.287 -0.933
777 HB LYS 97 QB LYS 97 -0.913 14.287 -0.933
778 HG LYS 97 2HG LYS 97 -2.774 15.725 -1.916
779 HG LYS 97 QG LYS 97 -2.774 15.725 -1.916
780 HD LYS 97 2HD LYS 97 -1.816 13.365 -3.606
781 HD LYS 97 QD LYS 97 -1.816 13.365 -3.606
782 HE LYS 97 2HE LYS 97 -2.008 15.161 -5.456
783 HE LYS 97 QE LYS 97 -2.008 15.161 -5.456
784 1HZ LYS 97 1HZ LYS 97 -3.814 13.932 -5.911
785 2HZ LYS 97 2HZ LYS 97 -3.976 13.469 -4.358
786 H ILE 98 H ILE 98 -3.132 11.378 1.040
787 HA ILE 98 HA ILE 98 -0.634 10.976 2.418
788 HB ILE 98 HB ILE 98 -3.218 11.521 3.181
789 HG1 ILE 98 2HG1 ILE 98 -2.151 12.070 5.058
790 HG1 ILE 98 QG1 ILE 98 -2.151 12.070 5.058
791 1HG2 ILE 98 1HG2 ILE 98 -2.624 8.614 3.786
792 2HG2 ILE 98 2HG2 ILE 98 -3.847 9.588 4.638
793 3HG2 ILE 98 3HG2 ILE 98 -4.010 9.282 2.893
794 1HD1 ILE 98 2HD1 ILE 98 -1.280 9.150 5.175
795 2HD1 ILE 98 3HD1 ILE 98 -0.841 10.353 6.411
796 3HD1 ILE 98 1HD1 ILE 98 -2.551 9.939 6.139
797 H ILE 99 H ILE 99 -2.410 9.341 0.027
798 HA ILE 99 HA ILE 99 -1.213 6.794 0.875
799 HB ILE 99 HB ILE 99 -3.836 7.376 -0.482
800 HG1 ILE 99 2HG1 ILE 99 -4.666 5.857 1.346
801 HG1 ILE 99 QG1 ILE 99 -4.666 5.857 1.346
802 1HG2 ILE 99 1HG2 ILE 99 -2.665 5.622 -1.758
803 2HG2 ILE 99 2HG2 ILE 99 -2.478 4.676 -0.262
804 3HG2 ILE 99 3HG2 ILE 99 -4.102 5.004 -0.910
805 1HD1 ILE 99 2HD1 ILE 99 -2.221 4.989 1.772
806 2HD1 ILE 99 3HD1 ILE 99 -2.046 6.474 2.737
807 3HD1 ILE 99 1HD1 ILE 99 -3.287 5.273 3.167
808 H ARG 100 H ARG 100 -1.223 9.404 -1.344
809 HA ARG 100 HA ARG 100 -0.590 9.599 -3.452
810 HB ARG 100 2HB ARG 100 1.862 7.966 -2.798
811 HB ARG 100 QB ARG 100 1.862 7.966 -2.798
812 HG ARG 100 2HG ARG 100 2.456 10.695 -3.281
813 HG ARG 100 QG ARG 100 2.456 10.695 -3.281
814 HD ARG 100 2HD ARG 100 2.404 8.893 -5.651
815 HD ARG 100 QD ARG 100 2.404 8.893 -5.651
816 HE ARG 100 HE ARG 100 4.947 9.770 -4.554
817 1HH1 ARG 100 2HH2 ARG 100 2.082 10.914 -6.297
818 2HH1 ARG 100 1HH2 ARG 100 2.910 12.242 -7.039
819 HH2 ARG 100 1HH ARG 100 5.237 12.580 -6.575
820 H PHE 101 H PHE 101 -2.010 8.322 -4.756
821 HA PHE 101 HA PHE 101 -0.975 5.649 -5.397
822 HB PHE 101 2HB PHE 101 -3.791 6.429 -6.076
823 HB PHE 101 QB PHE 101 -3.791 6.429 -6.076
824 HD1 PHE 101 1HD PHE 101 -3.154 4.246 -7.334
825 HD2 PHE 101 2HD PHE 101 -3.576 4.497 -3.119
826 HE1 PHE 101 1HE PHE 101 -3.490 1.762 -7.220
827 HE2 PHE 101 2HE PHE 101 -3.913 2.012 -3.006
828 HZ PHE 101 HZ PHE 101 -3.867 0.674 -5.058
829 H GLU 102 H GLU 102 -1.641 4.918 -7.689
830 HA GLU 102 HA GLU 102 -1.892 7.156 -9.496
831 HB GLU 102 2HB GLU 102 0.168 5.226 -10.388
832 HB GLU 102 QB GLU 102 0.168 5.226 -10.388
833 HG GLU 102 2HG GLU 102 1.195 7.842 -10.325
834 HG GLU 102 QG GLU 102 1.195 7.842 -10.325
835 HE2 GLU 102 HE GLU 102 0.142 7.518 -13.923
836 H GLN 103 H GLN 103 -0.978 5.178 -11.707
837 HA GLN 103 HA GLN 103 -3.101 3.233 -11.516
838 HB GLN 103 2HB GLN 103 -3.936 3.854 -13.816
839 HB GLN 103 QB GLN 103 -3.936 3.854 -13.816
840 HG GLN 103 2HG GLN 103 -4.101 5.853 -11.529
841 HG GLN 103 QG GLN 103 -4.101 5.853 -11.529
842 1HE2 GLN 103 2HE2 GLN 103 -7.086 6.796 -13.997
843 2HE2 GLN 103 1HE2 GLN 103 -6.990 5.413 -12.959
844 H SER 104 H SER 104 -1.498 1.596 -11.456
845 HA SER 104 HA SER 104 0.054 0.252 -12.180
846 HB SER 104 2HB SER 104 -1.277 0.970 -14.820
847 HB SER 104 QB SER 104 -1.277 0.970 -14.820
848 HG SER 104 HG SER 104 -0.307 -1.243 -15.389
849 H GLU 105 H GLU 105 -0.043 2.837 -14.753
850 HA GLU 105 HA GLU 105 2.423 2.838 -15.618
851 HB GLU 105 2HB GLU 105 0.831 5.299 -14.780
852 HB GLU 105 QB GLU 105 0.831 5.299 -14.780
853 HG GLU 105 2HG GLU 105 3.509 5.035 -15.975
854 HG GLU 105 QG GLU 105 3.509 5.035 -15.975
855 HE2 GLU 105 HE GLU 105 2.233 7.664 -18.472
856 H GLN 106 H GLN 106 1.440 3.769 -12.333
857 HA GLN 106 HA GLN 106 3.835 5.043 -11.656
858 HB GLN 106 2HB GLN 106 1.484 3.907 -10.156
859 HB GLN 106 QB GLN 106 1.484 3.907 -10.156
860 HG GLN 106 2HG GLN 106 4.207 4.566 -9.002
861 HG GLN 106 QG GLN 106 4.207 4.566 -9.002
862 1HE2 GLN 106 2HE2 GLN 106 2.567 7.037 -7.048
863 2HE2 GLN 106 1HE2 GLN 106 3.496 6.755 -8.482
864 H GLN 107 H GLN 107 3.184 1.808 -12.436
865 HA GLN 107 HA GLN 107 4.304 0.197 -10.699
866 HB GLN 107 2HB GLN 107 3.583 -0.186 -13.188
867 HB GLN 107 QB GLN 107 3.583 -0.186 -13.188
868 HG GLN 107 2HG GLN 107 6.580 -0.296 -13.623
869 HG GLN 107 QG GLN 107 6.580 -0.296 -13.623
870 1HE2 GLN 107 2HE2 GLN 107 4.076 0.233 -16.835
871 2HE2 GLN 107 1HE2 GLN 107 4.211 1.376 -15.540
872 H ALA 108 H ALA 108 5.989 2.775 -12.449
873 HA ALA 108 HA ALA 108 8.594 1.797 -11.674
874 1HB ALA 108 2HB ALA 108 7.492 4.109 -13.272
875 2HB ALA 108 3HB ALA 108 9.178 4.144 -12.703
876 3HB ALA 108 1HB ALA 108 8.626 2.830 -13.770
877 H LEU 109 H LEU 109 6.441 4.633 -10.955
878 HA LEU 109 HA LEU 109 8.131 5.691 -8.985
879 HB LEU 109 2HB LEU 109 5.368 6.318 -8.518
880 HB LEU 109 QB LEU 109 5.368 6.318 -8.518
881 HG LEU 109 HG LEU 109 7.634 7.872 -9.788
882 1HD1 LEU 109 1HD1 LEU 109 4.805 8.750 -9.169
883 2HD1 LEU 109 2HD1 LEU 109 6.157 9.874 -9.449
884 3HD1 LEU 109 3HD1 LEU 109 5.639 8.764 -10.742
885 1HD2 LEU 109 3HD2 LEU 109 7.595 7.198 -7.272
886 2HD2 LEU 109 1HD2 LEU 109 7.986 8.872 -7.735
887 3HD2 LEU 109 2HD2 LEU 109 6.359 8.472 -7.135
888 H LEU 110 H LEU 110 5.913 2.975 -9.033
889 HA LEU 110 HA LEU 110 5.176 2.850 -6.381
890 HB LEU 110 2HB LEU 110 5.797 0.597 -8.297
891 HB LEU 110 QB LEU 110 5.797 0.597 -8.297
892 HG LEU 110 HG LEU 110 5.433 -0.107 -5.883
893 1HD1 LEU 110 1HD1 LEU 110 3.630 1.765 -5.620
894 2HD1 LEU 110 2HD1 LEU 110 2.529 0.534 -6.286
895 3HD1 LEU 110 3HD1 LEU 110 3.429 0.206 -4.785
896 1HD2 LEU 110 3HD2 LEU 110 3.664 -1.008 -8.151
897 2HD2 LEU 110 1HD2 LEU 110 5.136 -1.767 -7.501
898 3HD2 LEU 110 2HD2 LEU 110 3.626 -1.802 -6.558
899 H THR 111 H THR 111 8.210 1.786 -8.010
900 HA THR 111 HA THR 111 9.324 0.529 -5.763
901 HB THR 111 HB THR 111 10.126 1.467 -8.472
902 HG1 THR 111 1HG THR 111 9.769 -0.753 -8.056
903 1HG2 THR 111 1HG2 THR 111 12.202 1.028 -6.260
904 2HG2 THR 111 2HG2 THR 111 12.553 1.154 -8.001
905 3HG2 THR 111 3HG2 THR 111 11.930 2.566 -7.113
906 H LEU 112 H LEU 112 8.287 3.654 -5.931
907 HA LEU 112 HA LEU 112 8.569 5.083 -4.147
908 HB LEU 112 2HB LEU 112 10.410 3.260 -3.378
909 HB LEU 112 QB LEU 112 10.410 3.260 -3.378
910 HG LEU 112 HG LEU 112 12.003 5.248 -4.662
911 1HD1 LEU 112 1HD1 LEU 112 11.738 5.622 -1.741
912 2HD1 LEU 112 2HD1 LEU 112 13.403 5.552 -2.367
913 3HD1 LEU 112 3HD1 LEU 112 12.260 6.756 -3.009
914 1HD2 LEU 112 3HD2 LEU 112 12.362 2.700 -3.187
915 2HD2 LEU 112 1HD2 LEU 112 12.959 3.205 -4.787
916 3HD2 LEU 112 2HD2 LEU 112 13.790 3.756 -3.313
917 H GLY 113 H GLY 113 9.194 4.973 -7.184
918 1HA GLY 113 1HA GLY 113 9.968 6.357 -8.783
919 2HA GLY 113 2HA GLY 113 9.585 7.638 -7.650
920 H VAL 114 H VAL 114 11.949 5.252 -6.609
921 HA VAL 114 HA VAL 114 14.179 6.814 -7.583
922 HB VAL 114 HB VAL 114 13.249 6.779 -4.745
923 1HG1 VAL 114 2HG1 VAL 114 16.050 6.368 -5.642
924 2HG1 VAL 114 3HG1 VAL 114 15.799 7.613 -4.394
925 3HG1 VAL 114 1HG1 VAL 114 15.258 5.942 -4.106
926 1HG2 VAL 114 2HG2 VAL 114 14.523 8.831 -6.579
927 2HG2 VAL 114 3HG2 VAL 114 12.852 8.799 -5.967
928 3HG2 VAL 114 1HG2 VAL 114 14.203 9.112 -4.850
929 H ALA 115 H ALA 115 14.357 4.739 -8.768
930 HA ALA 115 HA ALA 115 16.313 3.130 -7.925
931 1HB ALA 115 2HB ALA 115 13.856 2.539 -6.435
932 2HB ALA 115 3HB ALA 115 14.486 1.116 -7.299
933 3HB ALA 115 1HB ALA 115 15.524 1.989 -6.145
934 H SER 116 H SER 116 16.718 3.125 -10.147
935 HA SER 116 HA SER 116 16.538 2.572 -12.240
936 HB SER 116 2HB SER 116 15.254 0.195 -10.882
937 HB SER 116 QB SER 116 15.254 0.195 -10.882
938 HG SER 116 HG SER 116 15.364 -0.906 -12.955
No H/Q in entry = 795
Start of MODEL 24
1 H SER 1 H SER 1 -11.406 -14.160 -0.254
2 HA SER 1 HA SER 1 -10.050 -16.258 0.326
3 HB SER 1 2HB SER 1 -9.224 -17.101 -2.077
4 HB SER 1 QB SER 1 -9.224 -17.101 -2.077
5 HG SER 1 HG SER 1 -10.265 -18.893 -1.520
6 H LEU 2 H LEU 2 -9.513 -13.723 0.729
7 HA LEU 2 HA LEU 2 -8.103 -12.300 -1.180
8 HB LEU 2 2HB LEU 2 -8.266 -12.288 1.803
9 HB LEU 2 QB LEU 2 -8.266 -12.288 1.803
10 HG LEU 2 HG LEU 2 -5.902 -11.446 0.653
11 1HD1 LEU 2 3HD1 LEU 2 -7.868 -9.434 0.079
12 2HD1 LEU 2 1HD1 LEU 2 -6.677 -8.793 1.236
13 3HD1 LEU 2 2HD1 LEU 2 -6.134 -9.467 -0.318
14 1HD2 LEU 2 2HD2 LEU 2 -7.362 -10.908 3.190
15 2HD2 LEU 2 3HD2 LEU 2 -5.785 -11.683 2.909
16 3HD2 LEU 2 1HD2 LEU 2 -5.931 -9.912 2.835
17 H GLY 3 H GLY 3 -5.948 -12.195 -1.818
18 1HA GLY 3 1HA GLY 3 -4.356 -14.552 -1.099
19 2HA GLY 3 2HA GLY 3 -4.141 -13.513 -2.494
20 H ILE 4 H ILE 4 -1.852 -13.314 -1.944
21 HA ILE 4 HA ILE 4 -1.211 -10.987 -0.641
22 HB ILE 4 HB ILE 4 -1.971 -12.682 1.293
23 HG1 ILE 4 2HG1 ILE 4 -0.294 -11.305 2.758
24 HG1 ILE 4 QG1 ILE 4 -0.294 -11.305 2.758
25 1HG2 ILE 4 2HG2 ILE 4 -0.121 -14.271 0.627
26 2HG2 ILE 4 3HG2 ILE 4 1.029 -13.056 1.235
27 3HG2 ILE 4 1HG2 ILE 4 -0.157 -13.791 2.341
28 1HD1 ILE 4 3HD1 ILE 4 1.115 -10.753 0.658
29 2HD1 ILE 4 1HD1 ILE 4 -0.222 -9.675 0.192
30 3HD1 ILE 4 2HD1 ILE 4 0.666 -9.386 1.706
31 H ASP 5 H ASP 5 0.863 -10.414 -1.223
32 HA ASP 5 HA ASP 5 2.638 -12.569 -1.967
33 HB ASP 5 2HB ASP 5 2.615 -10.260 -3.856
34 HB ASP 5 QB ASP 5 2.615 -10.260 -3.856
35 HD2 ASP 5 HD ASP 5 3.619 -10.935 -5.717
36 H MET 6 H MET 6 4.940 -11.758 -2.125
37 HA MET 6 HA MET 6 5.333 -9.042 -1.246
38 HB MET 6 2HB MET 6 6.962 -9.962 0.563
39 HB MET 6 QB MET 6 6.962 -9.962 0.563
40 HG MET 6 2HG MET 6 3.946 -10.355 0.746
41 HG MET 6 QG MET 6 3.946 -10.355 0.746
42 1HE MET 6 2HE MET 6 3.726 -12.488 1.581
43 2HE MET 6 3HE MET 6 4.024 -12.999 3.259
44 3HE MET 6 1HE MET 6 2.854 -11.702 2.918
45 H ASN 7 H ASN 7 7.317 -8.169 -1.944
46 HA ASN 7 HA ASN 7 9.243 -10.033 -3.010
47 HB ASN 7 2HB ASN 7 9.008 -7.809 -4.870
48 HB ASN 7 QB ASN 7 9.008 -7.809 -4.870
49 1HD2 ASN 7 2HD2 ASN 7 10.519 -10.498 -6.533
50 2HD2 ASN 7 1HD2 ASN 7 10.730 -9.017 -5.660
51 H VAL 8 H VAL 8 11.391 -8.915 -3.360
52 HA VAL 8 HA VAL 8 11.520 -6.365 -1.904
53 HB VAL 8 HB VAL 8 12.575 -8.801 -1.148
54 1HG1 VAL 8 2HG1 VAL 8 14.231 -8.521 -3.050
55 2HG1 VAL 8 3HG1 VAL 8 14.898 -7.135 -2.153
56 3HG1 VAL 8 1HG1 VAL 8 14.938 -8.763 -1.436
57 1HG2 VAL 8 3HG2 VAL 8 12.886 -5.957 -0.374
58 2HG2 VAL 8 1HG2 VAL 8 12.437 -7.374 0.605
59 3HG2 VAL 8 2HG2 VAL 8 14.148 -7.061 0.223
60 H LYS 9 H LYS 9 13.104 -4.823 -2.663
61 HA LYS 9 HA LYS 9 14.572 -5.419 -5.043
62 HB LYS 9 2HB LYS 9 13.262 -3.299 -6.099
63 HB LYS 9 QB LYS 9 13.262 -3.299 -6.099
64 HG LYS 9 2HG LYS 9 13.378 -6.163 -6.502
65 HG LYS 9 QG LYS 9 13.378 -6.163 -6.502
66 HD LYS 9 2HD LYS 9 10.650 -4.938 -6.513
67 HD LYS 9 QD LYS 9 10.650 -4.938 -6.513
68 HE LYS 9 2HE LYS 9 11.759 -6.598 -8.814
69 HE LYS 9 QE LYS 9 11.759 -6.598 -8.814
70 1HZ LYS 9 1HZ LYS 9 9.352 -7.060 -7.549
71 2HZ LYS 9 2HZ LYS 9 8.944 -6.175 -8.853
72 H GLU 10 H GLU 10 16.478 -4.649 -4.272
73 HA GLU 10 HA GLU 10 17.976 -3.241 -3.575
74 HB GLU 10 2HB GLU 10 15.850 -1.270 -4.435
75 HB GLU 10 QB GLU 10 15.850 -1.270 -4.435
76 HG GLU 10 2HG GLU 10 18.213 -0.744 -2.696
77 HG GLU 10 QG GLU 10 18.213 -0.744 -2.696
78 HE1 GLU 10 HE GLU 10 19.285 -0.646 -5.398
79 H SER 11 H SER 11 14.740 -3.069 -2.170
80 HA SER 11 HA SER 11 15.358 -3.518 0.333
81 HB SER 11 2HB SER 11 16.597 -1.809 1.143
82 HB SER 11 QB SER 11 16.597 -1.809 1.143
83 HG SER 11 HG SER 11 17.121 0.015 -0.081
84 H VAL 12 H VAL 12 13.394 -2.437 -2.131
85 HA VAL 12 HA VAL 12 11.222 -1.516 -0.444
86 HB VAL 12 HB VAL 12 11.875 -0.496 -2.661
87 1HG1 VAL 12 3HG1 VAL 12 12.026 -2.944 -3.667
88 2HG1 VAL 12 1HG1 VAL 12 10.305 -2.655 -4.019
89 3HG1 VAL 12 2HG1 VAL 12 11.543 -1.557 -4.672
90 1HG2 VAL 12 2HG2 VAL 12 9.700 -0.102 -1.535
91 2HG2 VAL 12 3HG2 VAL 12 9.576 -0.045 -3.310
92 3HG2 VAL 12 1HG2 VAL 12 9.013 -1.482 -2.424
93 H LEU 13 H LEU 13 9.776 -2.885 0.453
94 HA LEU 13 HA LEU 13 9.766 -5.630 -0.508
95 HB LEU 13 2HB LEU 13 9.943 -5.773 1.729
96 HB LEU 13 QB LEU 13 9.943 -5.773 1.729
97 HG LEU 13 HG LEU 13 8.664 -4.319 3.370
98 1HD1 LEU 13 1HD1 LEU 13 10.984 -3.435 1.700
99 2HD1 LEU 13 2HD1 LEU 13 10.299 -2.305 2.894
100 3HD1 LEU 13 3HD1 LEU 13 10.913 -3.892 3.419
101 1HD2 LEU 13 1HD2 LEU 13 8.070 -2.846 0.821
102 2HD2 LEU 13 2HD2 LEU 13 7.000 -3.236 2.190
103 3HD2 LEU 13 3HD2 LEU 13 8.230 -1.959 2.357
104 H CYS 14 H CYS 14 8.556 -5.759 -2.371
105 HA CYS 14 HA CYS 14 6.221 -4.214 -2.726
106 HB CYS 14 2HB CYS 14 6.108 -5.134 -4.836
107 HB CYS 14 QB CYS 14 6.108 -5.134 -4.836
108 HG CYS 14 HG CYS 14 9.124 -6.196 -4.039
109 H ILE 15 H ILE 15 4.005 -4.899 -2.578
110 HA ILE 15 HA ILE 15 3.576 -7.535 -1.392
111 HB ILE 15 HB ILE 15 3.175 -4.929 -0.114
112 HG1 ILE 15 2HG1 ILE 15 3.421 -7.799 0.813
113 HG1 ILE 15 QG1 ILE 15 3.421 -7.799 0.813
114 1HG2 ILE 15 2HG2 ILE 15 0.889 -6.825 -0.465
115 2HG2 ILE 15 3HG2 ILE 15 1.103 -6.017 1.107
116 3HG2 ILE 15 1HG2 ILE 15 0.904 -5.047 -0.372
117 1HD1 ILE 15 2HD1 ILE 15 5.262 -5.605 0.232
118 2HD1 ILE 15 3HD1 ILE 15 5.376 -6.100 1.938
119 3HD1 ILE 15 1HD1 ILE 15 5.625 -7.298 0.645
120 H ARG 16 H ARG 16 2.485 -8.509 -3.038
121 HA ARG 16 HA ARG 16 0.506 -6.900 -4.402
122 HB ARG 16 2HB ARG 16 0.752 -9.624 -5.426
123 HB ARG 16 QB ARG 16 0.752 -9.624 -5.426
124 HG ARG 16 2HG ARG 16 0.791 -6.849 -6.366
125 HG ARG 16 QG ARG 16 0.791 -6.849 -6.366
126 HD ARG 16 2HD ARG 16 2.823 -8.817 -7.503
127 HD ARG 16 QD ARG 16 2.823 -8.817 -7.503
128 HE ARG 16 HE ARG 16 1.122 -7.230 -9.083
129 1HH1 ARG 16 2HH2 ARG 16 4.613 -7.478 -8.535
130 2HH1 ARG 16 1HH2 ARG 16 5.028 -6.926 -10.123
131 HH2 ARG 16 1HH ARG 16 3.280 -6.357 -11.661
132 H LEU 17 H LEU 17 -1.329 -6.908 -3.048
133 HA LEU 17 HA LEU 17 -2.193 -9.467 -1.968
134 HB LEU 17 2HB LEU 17 -4.009 -7.513 -1.213
135 HB LEU 17 QB LEU 17 -4.009 -7.513 -1.213
136 HG LEU 17 HG LEU 17 -2.162 -9.197 0.092
137 1HD1 LEU 17 1HD1 LEU 17 -1.523 -6.333 0.484
138 2HD1 LEU 17 2HD1 LEU 17 -1.670 -7.311 1.964
139 3HD1 LEU 17 3HD1 LEU 17 -0.513 -7.783 0.696
140 1HD2 LEU 17 1HD2 LEU 17 -4.536 -7.550 0.829
141 2HD2 LEU 17 2HD2 LEU 17 -4.275 -9.306 0.935
142 3HD2 LEU 17 3HD2 LEU 17 -3.543 -8.224 2.143
143 H THR 18 H THR 18 -3.906 -10.629 -2.745
144 HA THR 18 HA THR 18 -5.559 -9.321 -4.796
145 HB THR 18 HB THR 18 -5.410 -11.819 -5.794
146 HG1 THR 18 1HG THR 18 -2.893 -11.262 -4.390
147 1HG2 THR 18 3HG2 THR 18 -3.352 -9.584 -6.038
148 2HG2 THR 18 1HG2 THR 18 -3.166 -11.105 -6.945
149 3HG2 THR 18 2HG2 THR 18 -4.591 -10.074 -7.218
150 H GLY 19 H GLY 19 -7.606 -9.248 -4.139
151 1HA GLY 19 1HA GLY 19 -9.279 -11.254 -3.623
152 2HA GLY 19 2HA GLY 19 -8.495 -11.083 -2.065
153 H GLU 20 H GLU 20 -9.587 -9.804 -0.647
154 HA GLU 20 HA GLU 20 -11.008 -7.535 -1.809
155 HB GLU 20 2HB GLU 20 -12.285 -8.160 0.630
156 HB GLU 20 QB GLU 20 -12.285 -8.160 0.630
157 HG GLU 20 2HG GLU 20 -12.976 -7.695 -2.036
158 HG GLU 20 QG GLU 20 -12.976 -7.695 -2.036
159 HE2 GLU 20 HE GLU 20 -14.723 -9.848 -3.512
160 H LEU 21 H LEU 21 -11.342 -5.689 -0.209
161 HA LEU 21 HA LEU 21 -9.090 -5.611 1.678
162 HB LEU 21 2HB LEU 21 -9.548 -3.000 1.045
163 HB LEU 21 QB LEU 21 -9.548 -3.000 1.045
164 HG LEU 21 HG LEU 21 -7.507 -2.932 -0.030
165 1HD1 LEU 21 1HD1 LEU 21 -7.500 -4.145 2.253
166 2HD1 LEU 21 2HD1 LEU 21 -7.112 -5.600 1.305
167 3HD1 LEU 21 3HD1 LEU 21 -6.030 -4.188 1.252
168 1HD2 LEU 21 1HD2 LEU 21 -8.350 -5.519 -1.254
169 2HD2 LEU 21 2HD2 LEU 21 -7.652 -4.062 -2.003
170 3HD2 LEU 21 3HD2 LEU 21 -6.607 -5.188 -1.104
171 H ASP 22 H ASP 22 -10.513 -6.436 3.345
172 HA ASP 22 HA ASP 22 -12.305 -4.335 4.262
173 HB ASP 22 2HB ASP 22 -13.986 -5.913 4.880
174 HB ASP 22 QB ASP 22 -13.986 -5.913 4.880
175 HD1 ASP 22 HD ASP 22 -11.951 -7.020 2.226
176 H HIS 23 H HIS 23 -12.789 -4.716 6.746
177 HA HIS 23 HA HIS 23 -10.520 -4.622 8.189
178 HB HIS 23 2HB HIS 23 -13.052 -4.242 8.786
179 HB HIS 23 QB HIS 23 -13.052 -4.242 8.786
180 HD1 HIS 23 1HD HIS 23 -12.102 -6.697 11.419
181 HD2 HIS 23 2HD HIS 23 -14.799 -6.471 8.214
182 HE1 HIS 23 1HE HIS 23 -13.776 -8.592 11.758
183 H HIS 24 H HIS 24 -12.021 -7.453 6.770
184 HA HIS 24 HA HIS 24 -10.699 -9.293 8.515
185 HB HIS 24 2HB HIS 24 -11.513 -10.924 6.665
186 HB HIS 24 QB HIS 24 -11.513 -10.924 6.665
187 HD1 HIS 24 1HD HIS 24 -12.362 -11.950 8.906
188 HD2 HIS 24 2HD HIS 24 -14.573 -8.643 7.576
189 HE1 HIS 24 1HE HIS 24 -14.492 -11.902 10.312
190 H THR 25 H THR 25 -10.346 -8.219 5.067
191 HA THR 25 HA THR 25 -7.867 -9.673 4.823
192 HB THR 25 HB THR 25 -8.117 -9.173 2.530
193 HG1 THR 25 1HG THR 25 -8.040 -6.846 2.866
194 1HG2 THR 25 3HG2 THR 25 -10.408 -10.039 3.662
195 2HG2 THR 25 1HG2 THR 25 -10.964 -8.414 3.195
196 3HG2 THR 25 2HG2 THR 25 -10.362 -9.539 1.953
197 H ALA 26 H ALA 26 -8.931 -6.413 5.668
198 HA ALA 26 HA ALA 26 -6.477 -5.140 5.109
199 1HB ALA 26 2HB ALA 26 -9.031 -4.547 6.525
200 2HB ALA 26 3HB ALA 26 -7.613 -3.596 7.032
201 3HB ALA 26 1HB ALA 26 -8.133 -3.581 5.330
202 H GLU 27 H GLU 27 -7.695 -7.161 7.746
203 HA GLU 27 HA GLU 27 -6.059 -6.335 9.770
204 HB GLU 27 2HB GLU 27 -6.330 -9.237 9.773
205 HB GLU 27 QB GLU 27 -6.330 -9.237 9.773
206 HG GLU 27 2HG GLU 27 -6.614 -7.088 11.550
207 HG GLU 27 QG GLU 27 -6.614 -7.088 11.550
208 HE2 GLU 27 HE GLU 27 -8.272 -5.767 11.512
209 H THR 28 H THR 28 -5.440 -8.817 7.200
210 HA THR 28 HA THR 28 -3.002 -9.736 8.003
211 HB THR 28 HB THR 28 -4.550 -9.452 5.483
212 HG1 THR 28 1HG THR 28 -4.483 -11.497 6.403
213 1HG2 THR 28 1HG2 THR 28 -1.502 -9.720 5.476
214 2HG2 THR 28 2HG2 THR 28 -2.530 -10.324 4.156
215 3HG2 THR 28 3HG2 THR 28 -2.484 -8.582 4.522
216 H LEU 29 H LEU 29 -3.713 -6.653 6.285
217 HA LEU 29 HA LEU 29 -0.960 -5.997 6.040
218 HB LEU 29 2HB LEU 29 -3.016 -3.869 5.979
219 HB LEU 29 QB LEU 29 -3.016 -3.869 5.979
220 HG LEU 29 HG LEU 29 -1.848 -2.989 4.254
221 1HD1 LEU 29 2HD1 LEU 29 -0.251 -3.602 6.201
222 2HD1 LEU 29 3HD1 LEU 29 0.433 -4.779 5.055
223 3HD1 LEU 29 1HD1 LEU 29 0.436 -3.044 4.657
224 1HD2 LEU 29 3HD2 LEU 29 -1.243 -5.815 3.361
225 2HD2 LEU 29 1HD2 LEU 29 -2.338 -4.631 2.608
226 3HD2 LEU 29 2HD2 LEU 29 -0.579 -4.366 2.567
227 H LYS 30 H LYS 30 -3.470 -5.620 8.515
228 HA LYS 30 HA LYS 30 -2.391 -3.524 9.953
229 HB LYS 30 2HB LYS 30 -3.612 -5.763 11.478
230 HB LYS 30 QB LYS 30 -3.612 -5.763 11.478
231 HG LYS 30 2HG LYS 30 -5.065 -3.253 11.392
232 HG LYS 30 QG LYS 30 -5.065 -3.253 11.392
233 HD LYS 30 2HD LYS 30 -4.409 -5.164 13.269
234 HD LYS 30 QD LYS 30 -4.409 -5.164 13.269
235 HE LYS 30 2HE LYS 30 -3.104 -2.765 14.474
236 HE LYS 30 QE LYS 30 -3.104 -2.765 14.474
237 1HZ LYS 30 1HZ LYS 30 -2.900 -4.492 15.906
238 2HZ LYS 30 2HZ LYS 30 -3.129 -5.639 14.773
239 H GLN 31 H GLN 31 -1.631 -7.052 10.028
240 HA GLN 31 HA GLN 31 0.247 -6.708 12.111
241 HB GLN 31 2HB GLN 31 -1.093 -8.842 11.376
242 HB GLN 31 QB GLN 31 -1.093 -8.842 11.376
243 HG GLN 31 2HG GLN 31 1.457 -9.447 9.864
244 HG GLN 31 QG GLN 31 1.457 -9.447 9.864
245 1HE2 GLN 31 2HE2 GLN 31 -2.220 -11.377 9.660
246 2HE2 GLN 31 1HE2 GLN 31 -2.101 -9.671 9.941
247 H LYS 32 H LYS 32 0.313 -6.717 8.542
248 HA LYS 32 HA LYS 32 3.126 -6.948 8.327
249 HB LYS 32 2HB LYS 32 1.022 -5.950 6.385
250 HB LYS 32 QB LYS 32 1.022 -5.950 6.385
251 HG LYS 32 2HG LYS 32 3.078 -6.906 4.866
252 HG LYS 32 QG LYS 32 3.078 -6.906 4.866
253 HD LYS 32 2HD LYS 32 3.839 -4.253 5.155
254 HD LYS 32 QD LYS 32 3.839 -4.253 5.155
255 HE LYS 32 2HE LYS 32 3.192 -4.807 2.990
256 HE LYS 32 QE LYS 32 3.192 -4.807 2.990
257 1HZ LYS 32 1HZ LYS 32 1.244 -6.446 4.347
258 2HZ LYS 32 2HZ LYS 32 0.675 -5.804 2.962
259 H VAL 33 H VAL 33 1.149 -4.523 9.611
260 HA VAL 33 HA VAL 33 2.729 -2.310 8.648
261 HB VAL 33 HB VAL 33 0.487 -2.550 10.660
262 1HG1 VAL 33 3HG1 VAL 33 2.311 -0.328 10.054
263 2HG1 VAL 33 1HG1 VAL 33 0.590 0.098 9.895
264 3HG1 VAL 33 2HG1 VAL 33 1.205 -0.564 11.428
265 1HG2 VAL 33 3HG2 VAL 33 0.514 -2.511 7.811
266 2HG2 VAL 33 1HG2 VAL 33 -0.887 -2.484 8.907
267 3HG2 VAL 33 2HG2 VAL 33 -0.152 -0.956 8.367
268 H THR 34 H THR 34 2.146 -4.056 11.774
269 HA THR 34 HA THR 34 3.944 -2.579 13.296
270 HB THR 34 HB THR 34 2.364 -4.012 14.398
271 HG1 THR 34 1HG THR 34 3.929 -4.939 15.709
272 1HG2 THR 34 1HG2 THR 34 3.539 -6.220 12.636
273 2HG2 THR 34 2HG2 THR 34 2.548 -6.555 14.076
274 3HG2 THR 34 3HG2 THR 34 1.844 -5.680 12.696
275 H GLN 35 H GLN 35 4.475 -5.417 11.156
276 HA GLN 35 HA GLN 35 7.073 -5.889 11.949
277 HB GLN 35 2HB GLN 35 5.708 -7.432 10.558
278 HB GLN 35 QB GLN 35 5.708 -7.432 10.558
279 HG GLN 35 2HG GLN 35 4.952 -5.388 9.038
280 HG GLN 35 QG GLN 35 4.952 -5.388 9.038
281 1HE2 GLN 35 2HE2 GLN 35 6.795 -4.530 6.133
282 2HE2 GLN 35 1HE2 GLN 35 5.210 -4.742 6.798
283 H SER 36 H SER 36 5.702 -3.658 9.473
284 HA SER 36 HA SER 36 8.279 -2.873 8.588
285 HB SER 36 2HB SER 36 5.948 -1.085 8.064
286 HB SER 36 QB SER 36 5.948 -1.085 8.064
287 HG SER 36 HG SER 36 8.213 -2.079 6.754
288 H LEU 37 H LEU 37 6.052 -1.969 11.152
289 HA LEU 37 HA LEU 37 6.633 0.679 11.540
290 HB LEU 37 2HB LEU 37 6.467 -0.634 14.068
291 HB LEU 37 QB LEU 37 6.467 -0.634 14.068
292 HG LEU 37 HG LEU 37 4.448 0.465 14.360
293 1HD1 LEU 37 3HD1 LEU 37 6.457 1.957 13.733
294 2HD1 LEU 37 1HD1 LEU 37 5.574 2.253 12.216
295 3HD1 LEU 37 2HD1 LEU 37 4.832 2.685 13.775
296 1HD2 LEU 37 1HD2 LEU 37 4.036 -0.095 11.475
297 2HD2 LEU 37 2HD2 LEU 37 2.905 -0.203 12.846
298 3HD2 LEU 37 3HD2 LEU 37 3.278 1.380 12.123
299 H GLU 38 H GLU 38 8.602 -2.214 12.205
300 HA GLU 38 HA GLU 38 10.892 -0.576 12.401
301 HB GLU 38 2HB GLU 38 11.378 -1.820 14.771
302 HB GLU 38 QB GLU 38 11.378 -1.820 14.771
303 HG GLU 38 2HG GLU 38 10.988 0.799 13.911
304 HG GLU 38 QG GLU 38 10.988 0.799 13.911
305 HE2 GLU 38 HE GLU 38 8.666 2.348 16.139
306 H LYS 39 H LYS 39 11.062 -2.080 10.479
307 HA LYS 39 HA LYS 39 11.335 -4.865 10.971
308 HB LYS 39 2HB LYS 39 12.205 -3.236 8.566
309 HB LYS 39 QB LYS 39 12.205 -3.236 8.566
310 HG LYS 39 2HG LYS 39 13.010 -5.681 8.850
311 HG LYS 39 QG LYS 39 13.010 -5.681 8.850
312 HD LYS 39 2HD LYS 39 10.790 -7.043 7.870
313 HD LYS 39 QD LYS 39 10.790 -7.043 7.870
314 HE LYS 39 2HE LYS 39 10.950 -7.175 10.803
315 HE LYS 39 QE LYS 39 10.950 -7.175 10.803
316 1HZ LYS 39 1HZ LYS 39 12.172 -9.243 9.226
317 2HZ LYS 39 2HZ LYS 39 10.921 -9.353 10.261
318 H ASP 40 H ASP 40 13.611 -2.098 10.496
319 HA ASP 40 HA ASP 40 15.443 -2.867 12.265
320 HB ASP 40 2HB ASP 40 17.166 -3.769 10.308
321 HB ASP 40 QB ASP 40 17.166 -3.769 10.308
322 HD2 ASP 40 HD ASP 40 15.444 -6.505 10.553
323 H ASP 41 H ASP 41 16.482 -2.643 8.825
324 HA ASP 41 HA ASP 41 17.758 -0.180 9.348
325 HB ASP 41 2HB ASP 41 17.250 -1.385 6.602
326 HB ASP 41 QB ASP 41 17.250 -1.385 6.602
327 HD1 ASP 41 HD ASP 41 18.955 1.547 7.649
328 H ILE 42 H ILE 42 16.964 0.415 6.269
329 HA ILE 42 HA ILE 42 14.296 1.489 6.783
330 HB ILE 42 HB ILE 42 16.787 3.012 6.289
331 HG1 ILE 42 2HG1 ILE 42 15.409 4.742 7.538
332 HG1 ILE 42 QG1 ILE 42 15.409 4.742 7.538
333 1HG2 ILE 42 1HG2 ILE 42 14.331 3.357 4.659
334 2HG2 ILE 42 2HG2 ILE 42 15.055 4.833 5.340
335 3HG2 ILE 42 3HG2 ILE 42 16.025 3.765 4.297
336 1HD1 ILE 42 2HD1 ILE 42 13.219 3.364 6.911
337 2HD1 ILE 42 3HD1 ILE 42 13.656 2.427 8.361
338 3HD1 ILE 42 1HD1 ILE 42 13.351 4.176 8.490
339 H ARG 43 H ARG 43 13.560 -0.288 5.465
340 HA ARG 43 HA ARG 43 14.622 -0.491 2.837
341 HB ARG 43 2HB ARG 43 12.335 -2.012 2.773
342 HB ARG 43 QB ARG 43 12.335 -2.012 2.773
343 HG ARG 43 2HG ARG 43 14.480 -3.241 4.427
344 HG ARG 43 QG ARG 43 14.480 -3.241 4.427
345 HD ARG 43 2HD ARG 43 14.318 -4.285 1.763
346 HD ARG 43 QD ARG 43 14.318 -4.285 1.763
347 HE ARG 43 HE ARG 43 12.793 -5.729 3.736
348 1HH1 ARG 43 2HH2 ARG 43 16.095 -4.631 3.066
349 2HH1 ARG 43 1HH2 ARG 43 16.835 -5.899 3.986
350 HH2 ARG 43 1HH ARG 43 15.448 -7.516 5.084
351 H HIS 44 H HIS 44 12.214 -1.030 1.339
352 HA HIS 44 HA HIS 44 10.856 1.560 1.452
353 HB HIS 44 2HB HIS 44 10.818 1.490 -1.067
354 HB HIS 44 QB HIS 44 10.818 1.490 -1.067
355 HD1 HIS 44 1HD HIS 44 11.991 3.429 1.006
356 HD2 HIS 44 2HD HIS 44 14.320 1.299 -1.757
357 HE1 HIS 44 1HE HIS 44 14.169 4.735 0.750
358 H ILE 45 H ILE 45 8.693 1.505 0.286
359 HA ILE 45 HA ILE 45 7.508 -1.149 0.686
360 HB ILE 45 HB ILE 45 5.376 0.172 0.940
361 HG1 ILE 45 2HG1 ILE 45 7.032 2.572 1.607
362 HG1 ILE 45 QG1 ILE 45 7.032 2.572 1.607
363 1HG2 ILE 45 2HG2 ILE 45 7.664 0.219 2.882
364 2HG2 ILE 45 3HG2 ILE 45 6.124 1.009 3.297
365 3HG2 ILE 45 1HG2 ILE 45 6.157 -0.729 2.915
366 1HD1 ILE 45 3HD1 ILE 45 6.038 1.813 -1.179
367 2HD1 ILE 45 1HD1 ILE 45 6.560 3.446 -0.701
368 3HD1 ILE 45 2HD1 ILE 45 7.728 2.102 -0.699
369 H VAL 46 H VAL 46 5.766 -1.781 -0.823
370 HA VAL 46 HA VAL 46 5.557 -0.307 -3.273
371 HB VAL 46 HB VAL 46 7.342 -2.653 -2.995
372 1HG1 VAL 46 1HG1 VAL 46 5.505 -3.667 -4.245
373 2HG1 VAL 46 2HG1 VAL 46 5.523 -2.317 -5.405
374 3HG1 VAL 46 3HG1 VAL 46 6.915 -3.422 -5.301
375 1HG2 VAL 46 3HG2 VAL 46 7.730 -0.094 -3.735
376 2HG2 VAL 46 1HG2 VAL 46 8.740 -1.438 -4.319
377 3HG2 VAL 46 2HG2 VAL 46 7.418 -0.812 -5.333
378 H LEU 47 H LEU 47 3.347 -0.273 -2.487
379 HA LEU 47 HA LEU 47 2.035 -2.842 -2.244
380 HB LEU 47 2HB LEU 47 0.040 -1.364 -1.771
381 HB LEU 47 QB LEU 47 0.040 -1.364 -1.771
382 HG LEU 47 HG LEU 47 0.651 -0.725 0.446
383 1HD1 LEU 47 2HD1 LEU 47 0.449 -3.132 0.035
384 2HD1 LEU 47 3HD1 LEU 47 2.194 -3.224 -0.306
385 3HD1 LEU 47 1HD1 LEU 47 1.627 -2.784 1.323
386 1HD2 LEU 47 2HD2 LEU 47 3.545 -0.969 -0.421
387 2HD2 LEU 47 3HD2 LEU 47 2.673 0.532 -0.023
388 3HD2 LEU 47 1HD2 LEU 47 2.981 -0.680 1.243
389 H ASN 48 H ASN 48 0.213 -3.478 -3.574
390 HA ASN 48 HA ASN 48 -0.607 -2.024 -5.764
391 HB ASN 48 2HB ASN 48 1.687 -2.456 -6.655
392 HB ASN 48 QB ASN 48 1.687 -2.456 -6.655
393 1HD2 ASN 48 2HD2 ASN 48 2.361 -5.681 -4.836
394 2HD2 ASN 48 1HD2 ASN 48 1.654 -4.158 -4.410
395 H LEU 49 H LEU 49 -2.695 -2.881 -5.600
396 HA LEU 49 HA LEU 49 -2.939 -5.761 -5.165
397 HB LEU 49 2HB LEU 49 -5.459 -4.554 -5.044
398 HB LEU 49 QB LEU 49 -5.459 -4.554 -5.044
399 HG LEU 49 HG LEU 49 -3.646 -5.883 -3.190
400 1HD1 LEU 49 2HD1 LEU 49 -5.403 -3.681 -2.072
401 2HD1 LEU 49 3HD1 LEU 49 -4.613 -4.957 -1.115
402 3HD1 LEU 49 1HD1 LEU 49 -3.626 -3.772 -2.004
403 1HD2 LEU 49 1HD2 LEU 49 -5.792 -6.749 -4.202
404 2HD2 LEU 49 2HD2 LEU 49 -5.624 -6.957 -2.442
405 3HD2 LEU 49 3HD2 LEU 49 -6.660 -5.663 -3.090
406 H GLU 50 H GLU 50 -3.336 -7.062 -6.866
407 HA GLU 50 HA GLU 50 -4.026 -5.817 -9.350
408 HB GLU 50 2HB GLU 50 -3.976 -8.738 -9.407
409 HB GLU 50 QB GLU 50 -3.976 -8.738 -9.407
410 HG GLU 50 2HG GLU 50 -2.473 -6.418 -10.626
411 HG GLU 50 QG GLU 50 -2.473 -6.418 -10.626
412 HE2 GLU 50 HE GLU 50 -1.874 -8.672 -12.649
413 H ASP 51 H ASP 51 -5.617 -7.429 -6.696
414 HA ASP 51 HA ASP 51 -7.985 -7.709 -8.376
415 HB ASP 51 2HB ASP 51 -7.129 -9.240 -5.878
416 HB ASP 51 QB ASP 51 -7.129 -9.240 -5.878
417 HD1 ASP 51 HD ASP 51 -10.314 -8.586 -7.564
418 H LEU 52 H LEU 52 -7.982 -5.233 -7.712
419 HA LEU 52 HA LEU 52 -8.873 -4.855 -4.963
420 HB LEU 52 2HB LEU 52 -8.510 -2.644 -6.941
421 HB LEU 52 QB LEU 52 -8.510 -2.644 -6.941
422 HG LEU 52 HG LEU 52 -7.979 -1.290 -5.170
423 1HD1 LEU 52 3HD1 LEU 52 -10.315 -2.472 -4.967
424 2HD1 LEU 52 1HD1 LEU 52 -9.605 -3.163 -3.489
425 3HD1 LEU 52 2HD1 LEU 52 -9.723 -1.397 -3.678
426 1HD2 LEU 52 1HD2 LEU 52 -6.968 -3.783 -3.831
427 2HD2 LEU 52 2HD2 LEU 52 -6.120 -2.260 -4.193
428 3HD2 LEU 52 3HD2 LEU 52 -7.315 -2.322 -2.876
429 H SER 53 H SER 53 -10.993 -5.347 -4.669
430 HA SER 53 HA SER 53 -12.807 -4.237 -6.666
431 HB SER 53 2HB SER 53 -12.916 -6.889 -5.189
432 HB SER 53 QB SER 53 -12.916 -6.889 -5.189
433 HG SER 53 HG SER 53 -15.058 -7.126 -6.110
434 H PHE 54 H PHE 54 -13.597 -5.919 -3.587
435 HA PHE 54 HA PHE 54 -15.436 -4.149 -2.703
436 HB PHE 54 2HB PHE 54 -13.328 -5.838 -1.237
437 HB PHE 54 QB PHE 54 -13.328 -5.838 -1.237
438 HD1 PHE 54 1HD PHE 54 -16.902 -5.518 -0.442
439 HD2 PHE 54 2HD PHE 54 -12.948 -4.530 0.740
440 HE1 PHE 54 1HE PHE 54 -17.754 -4.797 1.805
441 HE2 PHE 54 2HE PHE 54 -13.800 -3.808 2.988
442 HZ PHE 54 HZ PHE 54 -16.193 -3.950 3.493
443 H MET 55 H MET 55 -12.257 -4.311 -0.983
444 HA MET 55 HA MET 55 -11.286 -2.737 0.223
445 HB MET 55 2HB MET 55 -11.326 -1.881 -2.667
446 HB MET 55 QB MET 55 -11.326 -1.881 -2.667
447 HG MET 55 2HG MET 55 -9.509 -0.119 -1.356
448 HG MET 55 QG MET 55 -9.509 -0.119 -1.356
449 1HE MET 55 1HE MET 55 -12.871 -1.011 -2.506
450 2HE MET 55 2HE MET 55 -13.406 0.239 -3.655
451 3HE MET 55 3HE MET 55 -12.202 -0.973 -4.154
452 H ASP 56 H ASP 56 -13.009 -2.138 1.690
453 HA ASP 56 HA ASP 56 -14.549 0.169 0.880
454 HB ASP 56 2HB ASP 56 -14.770 -1.180 3.581
455 HB ASP 56 QB ASP 56 -14.770 -1.180 3.581
456 HD2 ASP 56 HD ASP 56 -16.427 -0.218 4.567
457 H SER 57 H SER 57 -14.899 0.882 3.845
458 HA SER 57 HA SER 57 -12.534 2.499 4.008
459 HB SER 57 2HB SER 57 -14.740 3.534 4.380
460 HB SER 57 QB SER 57 -14.740 3.534 4.380
461 HG SER 57 HG SER 57 -16.062 2.074 5.363
462 H SER 58 H SER 58 -12.840 -0.590 4.633
463 HA SER 58 HA SER 58 -12.216 -0.665 7.413
464 HB SER 58 2HB SER 58 -12.731 -2.866 7.223
465 HB SER 58 QB SER 58 -12.731 -2.866 7.223
466 HG SER 58 HG SER 58 -13.125 -2.525 4.394
467 H GLY 59 H GLY 59 -10.482 -1.615 4.349
468 1HA GLY 59 1HA GLY 59 -7.940 -1.673 5.737
469 2HA GLY 59 2HA GLY 59 -8.256 -2.044 4.053
470 H LEU 60 H LEU 60 -9.924 0.660 4.048
471 HA LEU 60 HA LEU 60 -8.087 2.199 2.736
472 HB LEU 60 2HB LEU 60 -10.190 3.598 4.293
473 HB LEU 60 QB LEU 60 -10.190 3.598 4.293
474 HG LEU 60 HG LEU 60 -10.891 4.250 1.919
475 1HD1 LEU 60 2HD1 LEU 60 -8.655 5.191 3.559
476 2HD1 LEU 60 3HD1 LEU 60 -8.533 5.669 1.849
477 3HD1 LEU 60 1HD1 LEU 60 -9.982 6.094 2.790
478 1HD2 LEU 60 3HD2 LEU 60 -9.535 2.368 0.877
479 2HD2 LEU 60 1HD2 LEU 60 -9.396 3.973 0.119
480 3HD2 LEU 60 2HD2 LEU 60 -8.098 3.374 1.179
481 H GLY 61 H GLY 61 -8.924 2.176 6.248
482 1HA GLY 61 1HA GLY 61 -7.052 4.279 6.851
483 2HA GLY 61 2HA GLY 61 -7.990 3.319 7.977
484 H VAL 62 H VAL 62 -7.112 0.695 6.823
485 HA VAL 62 HA VAL 62 -4.848 0.325 8.435
486 HB VAL 62 HB VAL 62 -6.768 -1.238 7.286
487 1HG1 VAL 62 2HG1 VAL 62 -5.277 -1.090 5.155
488 2HG1 VAL 62 3HG1 VAL 62 -4.227 -2.242 6.015
489 3HG1 VAL 62 1HG1 VAL 62 -5.918 -2.673 5.660
490 1HG2 VAL 62 2HG2 VAL 62 -5.054 -1.491 9.314
491 2HG2 VAL 62 3HG2 VAL 62 -5.950 -2.880 8.655
492 3HG2 VAL 62 1HG2 VAL 62 -4.260 -2.602 8.172
493 H ILE 63 H ILE 63 -5.301 1.391 5.118
494 HA ILE 63 HA ILE 63 -2.559 0.776 4.420
495 HB ILE 63 HB ILE 63 -5.026 1.587 3.020
496 HG1 ILE 63 2HG1 ILE 63 -3.007 -0.509 2.942
497 HG1 ILE 63 QG1 ILE 63 -3.007 -0.509 2.942
498 1HG2 ILE 63 2HG2 ILE 63 -2.325 2.669 2.266
499 2HG2 ILE 63 3HG2 ILE 63 -3.529 2.276 1.015
500 3HG2 ILE 63 1HG2 ILE 63 -3.911 3.475 2.273
501 1HD1 ILE 63 3HD1 ILE 63 -5.876 -0.038 2.179
502 2HD1 ILE 63 1HD1 ILE 63 -5.027 -1.395 1.402
503 3HD1 ILE 63 2HD1 ILE 63 -5.165 -1.330 3.175
504 H LEU 64 H LEU 64 -4.618 3.513 5.425
505 HA LEU 64 HA LEU 64 -2.712 5.503 4.796
506 HB LEU 64 2HB LEU 64 -4.516 6.202 6.945
507 HB LEU 64 QB LEU 64 -4.516 6.202 6.945
508 HG LEU 64 HG LEU 64 -3.532 7.538 4.809
509 1HD1 LEU 64 3HD1 LEU 64 -4.903 6.203 3.231
510 2HD1 LEU 64 1HD1 LEU 64 -6.370 6.848 4.003
511 3HD1 LEU 64 2HD1 LEU 64 -5.249 7.948 3.165
512 1HD2 LEU 64 1HD2 LEU 64 -5.813 7.976 6.666
513 2HD2 LEU 64 2HD2 LEU 64 -4.322 8.918 6.424
514 3HD2 LEU 64 3HD2 LEU 64 -5.672 9.079 5.275
515 H GLY 65 H GLY 65 -3.395 3.447 7.652
516 1HA GLY 65 1HA GLY 65 -1.786 4.788 9.507
517 2HA GLY 65 2HA GLY 65 -2.236 3.094 9.543
518 H ARG 66 H ARG 66 -0.971 2.855 6.680
519 HA ARG 66 HA ARG 66 1.591 2.153 7.709
520 HB ARG 66 2HB ARG 66 1.401 1.877 4.820
521 HB ARG 66 QB ARG 66 1.401 1.877 4.820
522 HG ARG 66 2HG ARG 66 0.995 -0.337 6.860
523 HG ARG 66 QG ARG 66 0.995 -0.337 6.860
524 HD ARG 66 2HD ARG 66 0.989 -0.953 4.452
525 HD ARG 66 QD ARG 66 0.989 -0.953 4.452
526 HE ARG 66 HE ARG 66 3.788 -0.037 4.112
527 1HH1 ARG 66 2HH2 ARG 66 0.364 0.491 3.365
528 2HH1 ARG 66 1HH2 ARG 66 0.691 1.514 2.006
529 HH2 ARG 66 1HH ARG 66 2.964 1.984 1.410
530 H TYR 67 H TYR 67 0.169 4.443 5.301
531 HA TYR 67 HA TYR 67 2.427 5.443 4.147
532 HB TYR 67 2HB TYR 67 0.277 7.333 5.145
533 HB TYR 67 QB TYR 67 0.277 7.333 5.145
534 HD1 TYR 67 2HD TYR 67 0.362 5.664 1.846
535 HD2 TYR 67 1HD TYR 67 1.442 9.155 4.070
536 HE1 TYR 67 2HE TYR 67 0.875 6.895 -0.319
537 HE2 TYR 67 1HE TYR 67 1.952 10.373 1.898
538 HH TYR 67 HH TYR 67 2.637 9.125 -0.748
539 H LYS 68 H LYS 68 0.919 6.444 7.286
540 HA LYS 68 HA LYS 68 2.961 8.394 7.740
541 HB LYS 68 2HB LYS 68 1.759 8.957 9.668
542 HB LYS 68 QB LYS 68 1.759 8.957 9.668
543 HG LYS 68 2HG LYS 68 -0.716 7.923 8.545
544 HG LYS 68 QG LYS 68 -0.716 7.923 8.545
545 HD LYS 68 2HD LYS 68 -1.108 10.307 8.051
546 HD LYS 68 QD LYS 68 -1.108 10.307 8.051
547 HE LYS 68 2HE LYS 68 -0.734 9.286 10.568
548 HE LYS 68 QE LYS 68 -0.734 9.286 10.568
549 1HZ LYS 68 1HZ LYS 68 0.868 11.761 10.621
550 2HZ LYS 68 2HZ LYS 68 0.777 10.591 11.750
551 H GLN 69 H GLN 69 2.880 5.017 7.831
552 HA GLN 69 HA GLN 69 4.644 4.864 10.114
553 HB GLN 69 2HB GLN 69 3.203 2.820 8.401
554 HB GLN 69 QB GLN 69 3.203 2.820 8.401
555 HG GLN 69 2HG GLN 69 4.634 1.604 10.605
556 HG GLN 69 QG GLN 69 4.634 1.604 10.605
557 1HE2 GLN 69 2HE2 GLN 69 5.446 0.438 6.733
558 2HE2 GLN 69 1HE2 GLN 69 5.927 1.976 7.366
559 H ILE 70 H ILE 70 4.580 4.022 6.583
560 HA ILE 70 HA ILE 70 7.243 3.199 6.455
561 HB ILE 70 HB ILE 70 6.105 2.492 4.651
562 HG1 ILE 70 2HG1 ILE 70 7.369 5.097 3.814
563 HG1 ILE 70 QG1 ILE 70 7.369 5.097 3.814
564 1HG2 ILE 70 1HG2 ILE 70 4.491 4.955 5.039
565 2HG2 ILE 70 2HG2 ILE 70 4.545 4.276 3.394
566 3HG2 ILE 70 3HG2 ILE 70 3.983 3.273 4.752
567 1HD1 ILE 70 1HD1 ILE 70 8.018 2.134 3.618
568 2HD1 ILE 70 2HD1 ILE 70 8.813 3.334 2.572
569 3HD1 ILE 70 3HD1 ILE 70 8.996 3.435 4.339
570 H LYS 71 H LYS 71 5.676 6.418 6.143
571 HA LYS 71 HA LYS 71 8.127 7.689 5.414
572 HB LYS 71 2HB LYS 71 6.288 9.608 6.356
573 HB LYS 71 QB LYS 71 6.288 9.608 6.356
574 HG LYS 71 2HG LYS 71 6.531 8.556 3.507
575 HG LYS 71 QG LYS 71 6.531 8.556 3.507
576 HD LYS 71 2HD LYS 71 5.054 10.653 4.531
577 HD LYS 71 QD LYS 71 5.054 10.653 4.531
578 HE LYS 71 2HE LYS 71 7.828 11.659 3.778
579 HE LYS 71 QE LYS 71 7.828 11.659 3.778
580 1HZ LYS 71 1HZ LYS 71 5.256 12.863 3.245
581 2HZ LYS 71 2HZ LYS 71 6.263 13.840 4.073
582 H GLN 72 H GLN 72 6.630 6.593 8.363
583 HA GLN 72 HA GLN 72 7.896 8.510 10.018
584 HB GLN 72 2HB GLN 72 6.030 6.278 10.316
585 HB GLN 72 QB GLN 72 6.030 6.278 10.316
586 HG GLN 72 2HG GLN 72 8.324 6.559 12.297
587 HG GLN 72 QG GLN 72 8.324 6.559 12.297
588 1HE2 GLN 72 1HE2 GLN 72 4.939 5.747 11.799
589 2HE2 GLN 72 2HE2 GLN 72 4.495 5.542 13.461
590 H ILE 73 H ILE 73 8.845 5.561 8.418
591 HA ILE 73 HA ILE 73 10.926 4.925 10.294
592 HB ILE 73 HB ILE 73 10.928 3.778 7.567
593 HG1 ILE 73 2HG1 ILE 73 8.553 3.962 7.820
594 HG1 ILE 73 QG1 ILE 73 8.553 3.962 7.820
595 1HG2 ILE 73 1HG2 ILE 73 12.246 3.160 9.800
596 2HG2 ILE 73 2HG2 ILE 73 10.794 2.166 10.068
597 3HG2 ILE 73 3HG2 ILE 73 11.770 1.936 8.598
598 1HD1 ILE 73 1HD1 ILE 73 9.901 1.339 8.151
599 2HD1 ILE 73 2HD1 ILE 73 8.186 1.344 8.627
600 3HD1 ILE 73 3HD1 ILE 73 8.654 1.838 6.982
601 H GLY 74 H GLY 74 10.633 6.410 7.012
602 1HA GLY 74 1HA GLY 74 12.152 8.392 6.819
603 2HA GLY 74 2HA GLY 74 13.440 7.301 7.290
604 H GLY 75 H GLY 75 10.681 6.282 5.252
605 1HA GLY 75 1HA GLY 75 12.540 6.112 2.954
606 2HA GLY 75 2HA GLY 75 11.390 4.856 3.367
607 H GLU 76 H GLU 76 9.996 4.894 1.608
608 HA GLU 76 HA GLU 76 8.469 7.345 1.358
609 HB GLU 76 2HB GLU 76 8.724 7.533 -0.966
610 HB GLU 76 QB GLU 76 8.724 7.533 -0.966
611 HG GLU 76 2HG GLU 76 11.180 7.189 -1.488
612 HG GLU 76 QG GLU 76 11.180 7.189 -1.488
613 HE2 GLU 76 HE GLU 76 12.716 9.141 0.073
614 H MET 77 H MET 77 6.264 7.013 0.661
615 HA MET 77 HA MET 77 5.476 4.229 0.959
616 HB MET 77 2HB MET 77 3.524 5.040 1.987
617 HB MET 77 QB MET 77 3.524 5.040 1.987
618 HG MET 77 2HG MET 77 5.857 6.617 2.580
619 HG MET 77 QG MET 77 5.857 6.617 2.580
620 1HE MET 77 3HE MET 77 4.582 7.900 0.237
621 2HE MET 77 1HE MET 77 4.227 9.621 0.524
622 3HE MET 77 2HE MET 77 5.841 8.969 0.900
623 H VAL 78 H VAL 78 4.646 3.113 -0.764
624 HA VAL 78 HA VAL 78 3.717 4.724 -3.040
625 HB VAL 78 HB VAL 78 5.785 2.661 -2.842
626 1HG1 VAL 78 2HG1 VAL 78 3.856 1.341 -3.779
627 2HG1 VAL 78 3HG1 VAL 78 3.847 2.457 -5.166
628 3HG1 VAL 78 1HG1 VAL 78 5.278 1.447 -4.845
629 1HG2 VAL 78 1HG2 VAL 78 5.996 5.036 -3.718
630 2HG2 VAL 78 2HG2 VAL 78 6.673 3.760 -4.757
631 3HG2 VAL 78 3HG2 VAL 78 5.101 4.493 -5.157
632 H VAL 79 H VAL 79 2.097 3.580 -4.421
633 HA VAL 79 HA VAL 79 0.883 1.210 -3.585
634 HB VAL 79 HB VAL 79 0.274 2.575 -1.627
635 1HG1 VAL 79 3HG1 VAL 79 0.144 4.734 -3.044
636 2HG1 VAL 79 1HG1 VAL 79 -1.519 4.221 -3.413
637 3HG1 VAL 79 2HG1 VAL 79 -1.033 4.517 -1.728
638 1HG2 VAL 79 2HG2 VAL 79 -1.679 1.312 -3.463
639 2HG2 VAL 79 3HG2 VAL 79 -1.322 0.975 -1.753
640 3HG2 VAL 79 1HG2 VAL 79 -2.376 2.343 -2.190
641 H CYS 80 H CYS 80 0.177 0.470 -5.513
642 HA CYS 80 HA CYS 80 -1.221 2.375 -7.221
643 HB CYS 80 2HB CYS 80 0.937 2.377 -8.216
644 HB CYS 80 QB CYS 80 0.937 2.377 -8.216
645 HG CYS 80 HG CYS 80 0.668 -0.924 -8.199
646 H ALA 81 H ALA 81 -1.864 0.626 -9.311
647 HA ALA 81 HA ALA 81 -3.127 -1.099 -9.902
648 1HB ALA 81 1HB ALA 81 -1.388 -2.217 -8.081
649 2HB ALA 81 2HB ALA 81 -2.970 -2.632 -7.378
650 3HB ALA 81 3HB ALA 81 -2.578 -3.125 -9.043
651 H ILE 82 H ILE 82 -4.978 0.267 -9.926
652 HA ILE 82 HA ILE 82 -6.902 -0.446 -7.896
653 HB ILE 82 HB ILE 82 -5.583 1.615 -7.128
654 HG1 ILE 82 2HG1 ILE 82 -8.440 0.994 -7.058
655 HG1 ILE 82 QG1 ILE 82 -8.440 0.994 -7.058
656 1HG2 ILE 82 1HG2 ILE 82 -5.589 2.738 -9.343
657 2HG2 ILE 82 2HG2 ILE 82 -7.347 2.973 -9.183
658 3HG2 ILE 82 3HG2 ILE 82 -6.237 3.749 -8.028
659 1HD1 ILE 82 2HD1 ILE 82 -6.208 1.040 -5.333
660 2HD1 ILE 82 3HD1 ILE 82 -7.265 2.345 -4.744
661 3HD1 ILE 82 1HD1 ILE 82 -7.892 0.684 -4.880
662 H SER 83 H SER 83 -8.740 1.706 -8.760
663 HA SER 83 HA SER 83 -8.939 1.321 -11.592
664 HB SER 83 2HB SER 83 -11.551 0.683 -10.742
665 HB SER 83 QB SER 83 -11.551 0.683 -10.742
666 HG SER 83 HG SER 83 -11.103 -0.656 -12.344
667 HA PRO 84 HA PRO 84 -11.051 5.112 -11.236
668 HB PRO 84 2HB PRO 84 -11.217 5.391 -13.516
669 HB PRO 84 QB PRO 84 -11.217 5.391 -13.516
670 HG PRO 84 2HG PRO 84 -11.209 3.430 -14.729
671 HG PRO 84 QG PRO 84 -11.209 3.430 -14.729
672 HD PRO 84 2HD PRO 84 -10.122 2.042 -13.255
673 HD PRO 84 QD PRO 84 -10.122 2.042 -13.255
674 H ALA 85 H ALA 85 -12.516 2.366 -10.295
675 HA ALA 85 HA ALA 85 -14.704 3.940 -9.136
676 1HB ALA 85 3HB ALA 85 -15.216 2.296 -11.167
677 2HB ALA 85 1HB ALA 85 -15.138 1.063 -9.886
678 3HB ALA 85 2HB ALA 85 -16.310 2.398 -9.767
679 H VAL 86 H VAL 86 -11.912 3.009 -8.279
680 HA VAL 86 HA VAL 86 -12.832 1.759 -5.810
681 HB VAL 86 HB VAL 86 -10.908 0.640 -7.792
682 1HG1 VAL 86 2HG1 VAL 86 -9.686 1.236 -5.574
683 2HG1 VAL 86 3HG1 VAL 86 -10.621 -0.114 -4.888
684 3HG1 VAL 86 1HG1 VAL 86 -9.508 -0.403 -6.245
685 1HG2 VAL 86 3HG2 VAL 86 -13.309 -0.178 -6.369
686 2HG2 VAL 86 1HG2 VAL 86 -12.535 -0.892 -7.804
687 3HG2 VAL 86 2HG2 VAL 86 -11.999 -1.368 -6.175
688 H LYS 87 H LYS 87 -10.460 3.615 -7.724
689 HA LYS 87 HA LYS 87 -8.903 4.283 -5.410
690 HB LYS 87 2HB LYS 87 -8.395 4.174 -8.097
691 HB LYS 87 QB LYS 87 -8.395 4.174 -8.097
692 HG LYS 87 2HG LYS 87 -8.483 7.121 -7.302
693 HG LYS 87 QG LYS 87 -8.483 7.121 -7.302
694 HD LYS 87 2HD LYS 87 -7.825 5.743 -9.949
695 HD LYS 87 QD LYS 87 -7.825 5.743 -9.949
696 HE LYS 87 2HE LYS 87 -8.425 8.542 -9.165
697 HE LYS 87 QE LYS 87 -8.425 8.542 -9.165
698 1HZ LYS 87 1HZ LYS 87 -6.068 8.817 -9.332
699 2HZ LYS 87 2HZ LYS 87 -5.948 7.879 -10.658
700 H ARG 88 H ARG 88 -11.943 5.205 -6.613
701 HA ARG 88 HA ARG 88 -11.782 7.952 -6.109
702 HB ARG 88 2HB ARG 88 -13.560 6.528 -7.456
703 HB ARG 88 QB ARG 88 -13.560 6.528 -7.456
704 HG ARG 88 2HG ARG 88 -15.687 6.324 -6.025
705 HG ARG 88 QG ARG 88 -15.687 6.324 -6.025
706 HD ARG 88 2HD ARG 88 -13.791 4.385 -4.802
707 HD ARG 88 QD ARG 88 -13.791 4.385 -4.802
708 HE ARG 88 HE ARG 88 -15.710 3.335 -6.647
709 1HH1 ARG 88 2HH2 ARG 88 -15.600 5.103 -3.579
710 2HH1 ARG 88 1HH2 ARG 88 -17.130 4.501 -3.034
711 HH2 ARG 88 1HH ARG 88 -18.363 2.995 -4.431
712 H LEU 89 H LEU 89 -12.168 5.088 -4.110
713 HA LEU 89 HA LEU 89 -13.561 6.233 -1.965
714 HB LEU 89 2HB LEU 89 -11.924 4.240 -0.926
715 HB LEU 89 QB LEU 89 -11.924 4.240 -0.926
716 HG LEU 89 HG LEU 89 -14.723 4.388 -1.876
717 1HD1 LEU 89 3HD1 LEU 89 -13.297 1.725 -1.635
718 2HD1 LEU 89 1HD1 LEU 89 -15.063 1.938 -1.667
719 3HD1 LEU 89 2HD1 LEU 89 -14.086 2.400 -3.081
720 1HD2 LEU 89 1HD2 LEU 89 -13.240 4.035 0.595
721 2HD2 LEU 89 2HD2 LEU 89 -14.919 4.564 0.331
722 3HD2 LEU 89 3HD2 LEU 89 -14.537 2.828 0.427
723 H PHE 90 H PHE 90 -10.095 6.116 -2.880
724 HA PHE 90 HA PHE 90 -9.263 7.276 -0.405
725 HB PHE 90 2HB PHE 90 -7.087 7.454 -1.812
726 HB PHE 90 QB PHE 90 -7.087 7.454 -1.812
727 HD1 PHE 90 1HD PHE 90 -9.059 4.521 -2.945
728 HD2 PHE 90 2HD PHE 90 -6.120 5.988 -0.260
729 HE1 PHE 90 1HE PHE 90 -8.555 2.173 -2.215
730 HE2 PHE 90 2HE PHE 90 -5.615 3.640 0.471
731 HZ PHE 90 HZ PHE 90 -6.838 1.760 -0.515
732 H ASP 91 H ASP 91 -10.196 8.415 -3.651
733 HA ASP 91 HA ASP 91 -9.011 10.899 -3.531
734 HB ASP 91 2HB ASP 91 -11.628 10.989 -4.828
735 HB ASP 91 QB ASP 91 -11.628 10.989 -4.828
736 HD2 ASP 91 HD ASP 91 -9.795 11.565 -7.821
737 H MET 92 H MET 92 -12.014 9.540 -2.148
738 HA MET 92 HA MET 92 -12.446 12.105 -0.835
739 HB MET 92 2HB MET 92 -14.786 10.293 -1.484
740 HB MET 92 QB MET 92 -14.786 10.293 -1.484
741 HG MET 92 2HG MET 92 -14.986 12.464 -0.151
742 HG MET 92 QG MET 92 -14.986 12.464 -0.151
743 1HE MET 92 2HE MET 92 -16.145 14.771 -0.787
744 2HE MET 92 3HE MET 92 -15.142 16.064 -1.488
745 3HE MET 92 1HE MET 92 -16.192 15.082 -2.539
746 H SER 93 H SER 93 -13.506 8.620 -0.827
747 HA SER 93 HA SER 93 -14.156 8.609 1.860
748 HB SER 93 2HB SER 93 -13.150 6.050 0.720
749 HB SER 93 QB SER 93 -13.150 6.050 0.720
750 HG SER 93 HG SER 93 -15.885 6.517 1.286
751 H GLY 94 H GLY 94 -11.108 8.873 0.326
752 1HA GLY 94 1HA GLY 94 -9.749 8.132 2.836
753 2HA GLY 94 2HA GLY 94 -9.162 7.537 1.296
754 H LEU 95 H LEU 95 -7.229 8.859 2.370
755 HA LEU 95 HA LEU 95 -7.483 11.674 1.606
756 HB LEU 95 2HB LEU 95 -5.211 10.504 3.174
757 HB LEU 95 QB LEU 95 -5.211 10.504 3.174
758 HG LEU 95 HG LEU 95 -4.993 12.862 2.557
759 1HD1 LEU 95 3HD1 LEU 95 -7.784 13.012 3.617
760 2HD1 LEU 95 1HD1 LEU 95 -6.712 14.419 3.821
761 3HD1 LEU 95 2HD1 LEU 95 -7.052 13.786 2.191
762 1HD2 LEU 95 3HD2 LEU 95 -4.708 11.766 5.082
763 2HD2 LEU 95 1HD2 LEU 95 -4.041 13.319 4.520
764 3HD2 LEU 95 2HD2 LEU 95 -5.598 13.278 5.383
765 H PHE 96 H PHE 96 -7.350 9.618 -0.419
766 HA PHE 96 HA PHE 96 -5.405 8.649 -1.614
767 HB PHE 96 2HB PHE 96 -6.119 11.120 -3.152
768 HB PHE 96 QB PHE 96 -6.119 11.120 -3.152
769 HD1 PHE 96 1HD PHE 96 -5.514 7.647 -2.845
770 HD2 PHE 96 2HD PHE 96 -7.497 10.509 -5.269
771 HE1 PHE 96 1HE PHE 96 -5.536 6.016 -4.752
772 HE2 PHE 96 2HE PHE 96 -7.520 8.878 -7.177
773 HZ PHE 96 HZ PHE 96 -6.539 6.650 -6.896
774 H LYS 97 H LYS 97 -5.338 12.225 -1.036
775 HA LYS 97 HA LYS 97 -2.847 12.660 -2.202
776 HB LYS 97 2HB LYS 97 -2.984 14.807 -1.302
777 HB LYS 97 QB LYS 97 -2.984 14.807 -1.302
778 HG LYS 97 2HG LYS 97 -5.246 13.711 -2.450
779 HG LYS 97 QG LYS 97 -5.246 13.711 -2.450
780 HD LYS 97 2HD LYS 97 -5.894 13.962 0.300
781 HD LYS 97 QD LYS 97 -5.894 13.962 0.300
782 HE LYS 97 2HE LYS 97 -6.089 16.436 -0.071
783 HE LYS 97 QE LYS 97 -6.089 16.436 -0.071
784 1HZ LYS 97 1HZ LYS 97 -6.755 16.254 -2.455
785 2HZ LYS 97 2HZ LYS 97 -8.225 15.716 -2.004
786 H ILE 98 H ILE 98 -3.805 11.189 0.847
787 HA ILE 98 HA ILE 98 -1.072 11.403 1.844
788 HB ILE 98 HB ILE 98 -3.557 11.575 3.057
789 HG1 ILE 98 2HG1 ILE 98 -2.132 12.661 4.378
790 HG1 ILE 98 QG1 ILE 98 -2.132 12.661 4.378
791 1HG2 ILE 98 1HG2 ILE 98 -3.604 9.036 2.875
792 2HG2 ILE 98 2HG2 ILE 98 -2.279 9.031 4.064
793 3HG2 ILE 98 3HG2 ILE 98 -3.857 9.734 4.494
794 1HD1 ILE 98 2HD1 ILE 98 -2.648 10.591 5.813
795 2HD1 ILE 98 3HD1 ILE 98 -1.057 9.969 5.312
796 3HD1 ILE 98 1HD1 ILE 98 -1.169 11.485 6.239
797 H ILE 99 H ILE 99 -2.792 9.496 -0.273
798 HA ILE 99 HA ILE 99 -1.319 7.095 0.566
799 HB ILE 99 HB ILE 99 -3.984 7.424 -0.792
800 HG1 ILE 99 2HG1 ILE 99 -4.655 5.832 1.054
801 HG1 ILE 99 QG1 ILE 99 -4.655 5.832 1.054
802 1HG2 ILE 99 2HG2 ILE 99 -2.538 5.754 -1.997
803 2HG2 ILE 99 3HG2 ILE 99 -2.495 4.808 -0.489
804 3HG2 ILE 99 1HG2 ILE 99 -4.047 5.104 -1.311
805 1HD1 ILE 99 1HD1 ILE 99 -2.006 5.428 1.466
806 2HD1 ILE 99 2HD1 ILE 99 -2.268 6.775 2.600
807 3HD1 ILE 99 3HD1 ILE 99 -3.211 5.276 2.768
808 H ARG 100 H ARG 100 -1.629 9.657 -1.712
809 HA ARG 100 HA ARG 100 -1.026 9.865 -3.829
810 HB ARG 100 2HB ARG 100 1.510 9.475 -4.063
811 HB ARG 100 QB ARG 100 1.510 9.475 -4.063
812 HG ARG 100 2HG ARG 100 2.015 10.941 -1.933
813 HG ARG 100 QG ARG 100 2.015 10.941 -1.933
814 HD ARG 100 2HD ARG 100 0.507 11.554 -4.417
815 HD ARG 100 QD ARG 100 0.507 11.554 -4.417
816 HE ARG 100 HE ARG 100 -0.840 13.153 -3.387
817 1HH1 ARG 100 2HH2 ARG 100 2.259 13.048 -1.675
818 2HH1 ARG 100 1HH2 ARG 100 1.871 14.377 -0.634
819 HH2 ARG 100 1HH ARG 100 -0.259 15.455 -0.852
820 H PHE 101 H PHE 101 -2.468 8.152 -4.739
821 HA PHE 101 HA PHE 101 -1.081 5.659 -5.358
822 HB PHE 101 2HB PHE 101 -3.937 6.304 -6.138
823 HB PHE 101 QB PHE 101 -3.937 6.304 -6.138
824 HD1 PHE 101 1HD PHE 101 -3.308 4.269 -7.565
825 HD2 PHE 101 2HD PHE 101 -3.519 4.150 -3.328
826 HE1 PHE 101 1HE PHE 101 -3.523 1.769 -7.645
827 HE2 PHE 101 2HE PHE 101 -3.734 1.651 -3.409
828 HZ PHE 101 HZ PHE 101 -3.733 0.491 -5.566
829 H GLU 102 H GLU 102 -1.567 4.739 -7.628
830 HA GLU 102 HA GLU 102 -1.883 6.837 -9.587
831 HB GLU 102 2HB GLU 102 0.350 5.018 -10.262
832 HB GLU 102 QB GLU 102 0.350 5.018 -10.262
833 HG GLU 102 2HG GLU 102 1.232 7.661 -10.327
834 HG GLU 102 QG GLU 102 1.232 7.661 -10.327
835 HE2 GLU 102 HE GLU 102 -1.046 7.219 -13.009
836 H GLN 103 H GLN 103 -0.763 4.858 -11.658
837 HA GLN 103 HA GLN 103 -2.618 2.681 -11.418
838 HB GLN 103 2HB GLN 103 -4.015 3.196 -13.204
839 HB GLN 103 QB GLN 103 -4.015 3.196 -13.204
840 HG GLN 103 2HG GLN 103 -3.101 5.935 -12.203
841 HG GLN 103 QG GLN 103 -3.101 5.935 -12.203
842 1HE2 GLN 103 2HE2 GLN 103 -6.547 5.278 -14.433
843 2HE2 GLN 103 1HE2 GLN 103 -5.823 4.022 -13.485
844 H SER 104 H SER 104 -0.934 1.181 -11.518
845 HA SER 104 HA SER 104 0.706 0.009 -12.331
846 HB SER 104 2HB SER 104 -0.730 0.853 -14.853
847 HB SER 104 QB SER 104 -0.730 0.853 -14.853
848 HG SER 104 HG SER 104 1.796 -0.443 -14.652
849 H GLU 105 H GLU 105 0.486 2.901 -14.542
850 HA GLU 105 HA GLU 105 2.994 3.143 -15.315
851 HB GLU 105 2HB GLU 105 0.960 5.215 -14.490
852 HB GLU 105 QB GLU 105 0.960 5.215 -14.490
853 HG GLU 105 2HG GLU 105 3.870 5.669 -15.149
854 HG GLU 105 QG GLU 105 3.870 5.669 -15.149
855 HE2 GLU 105 HE GLU 105 3.544 8.646 -16.641
856 H GLN 106 H GLN 106 1.819 3.533 -12.009
857 HA GLN 106 HA GLN 106 4.130 4.906 -11.114
858 HB GLN 106 2HB GLN 106 1.692 3.684 -9.839
859 HB GLN 106 QB GLN 106 1.692 3.684 -9.839
860 HG GLN 106 2HG GLN 106 4.320 4.312 -8.456
861 HG GLN 106 QG GLN 106 4.320 4.312 -8.456
862 1HE2 GLN 106 2HE2 GLN 106 2.242 6.590 -6.586
863 2HE2 GLN 106 1HE2 GLN 106 3.175 6.474 -8.041
864 H GLN 107 H GLN 107 3.278 1.590 -11.791
865 HA GLN 107 HA GLN 107 4.458 0.018 -10.104
866 HB GLN 107 2HB GLN 107 3.618 -0.488 -12.493
867 HB GLN 107 QB GLN 107 3.618 -0.488 -12.493
868 HG GLN 107 2HG GLN 107 6.560 -0.483 -13.211
869 HG GLN 107 QG GLN 107 6.560 -0.483 -13.211
870 1HE2 GLN 107 1HE2 GLN 107 4.650 1.264 -15.271
871 2HE2 GLN 107 2HE2 GLN 107 4.190 0.042 -16.409
872 H ALA 108 H ALA 108 6.190 2.398 -12.122
873 HA ALA 108 HA ALA 108 8.776 1.402 -11.397
874 1HB ALA 108 3HB ALA 108 7.601 3.313 -13.240
875 2HB ALA 108 1HB ALA 108 8.960 4.054 -12.361
876 3HB ALA 108 2HB ALA 108 9.209 2.550 -13.280
877 H LEU 109 H LEU 109 7.023 4.528 -10.750
878 HA LEU 109 HA LEU 109 8.787 5.308 -8.727
879 HB LEU 109 2HB LEU 109 6.129 6.389 -8.408
880 HB LEU 109 QB LEU 109 6.129 6.389 -8.408
881 HG LEU 109 HG LEU 109 8.760 7.508 -9.378
882 1HD1 LEU 109 1HD1 LEU 109 6.189 8.487 -10.080
883 2HD1 LEU 109 2HD1 LEU 109 6.878 9.599 -8.873
884 3HD1 LEU 109 3HD1 LEU 109 7.780 9.233 -10.363
885 1HD2 LEU 109 1HD2 LEU 109 8.033 6.989 -6.870
886 2HD2 LEU 109 2HD2 LEU 109 9.008 8.412 -7.305
887 3HD2 LEU 109 3HD2 LEU 109 7.256 8.580 -7.040
888 H LEU 110 H LEU 110 6.437 2.810 -8.828
889 HA LEU 110 HA LEU 110 5.457 2.917 -6.215
890 HB LEU 110 2HB LEU 110 5.556 0.998 -8.438
891 HB LEU 110 QB LEU 110 5.556 0.998 -8.438
892 HG LEU 110 HG LEU 110 5.929 -0.023 -5.764
893 1HD1 LEU 110 3HD1 LEU 110 3.281 0.281 -6.109
894 2HD1 LEU 110 1HD1 LEU 110 3.502 -1.296 -6.905
895 3HD1 LEU 110 2HD1 LEU 110 4.005 -1.074 -5.211
896 1HD2 LEU 110 1HD2 LEU 110 5.928 -0.964 -8.560
897 2HD2 LEU 110 2HD2 LEU 110 7.043 -1.323 -7.219
898 3HD2 LEU 110 3HD2 LEU 110 5.496 -2.194 -7.347
899 H THR 111 H THR 111 8.477 1.624 -7.638
900 HA THR 111 HA THR 111 9.324 0.147 -5.427
901 HB THR 111 HB THR 111 10.922 1.669 -7.554
902 HG1 THR 111 1HG THR 111 9.052 -0.178 -7.781
903 1HG2 THR 111 2HG2 THR 111 11.976 0.353 -5.372
904 2HG2 THR 111 3HG2 THR 111 11.766 -1.003 -6.507
905 3HG2 THR 111 1HG2 THR 111 12.766 0.397 -6.967
906 H LEU 112 H LEU 112 8.546 3.393 -5.484
907 HA LEU 112 HA LEU 112 8.692 4.649 -3.552
908 HB LEU 112 2HB LEU 112 10.115 2.660 -2.598
909 HB LEU 112 QB LEU 112 10.115 2.660 -2.598
910 HG LEU 112 HG LEU 112 12.339 2.805 -2.494
911 1HD1 LEU 112 2HD1 LEU 112 11.569 3.621 -4.966
912 2HD1 LEU 112 3HD1 LEU 112 12.637 4.962 -4.488
913 3HD1 LEU 112 1HD1 LEU 112 13.252 3.291 -4.489
914 1HD2 LEU 112 2HD2 LEU 112 12.046 4.789 -0.961
915 2HD2 LEU 112 3HD2 LEU 112 13.587 4.717 -1.850
916 3HD2 LEU 112 1HD2 LEU 112 12.303 5.827 -2.385
917 H GLY 113 H GLY 113 9.700 4.702 -6.488
918 1HA GLY 113 1HA GLY 113 10.149 6.797 -7.519
919 2HA GLY 113 2HA GLY 113 11.194 7.228 -6.180
920 H VAL 114 H VAL 114 10.863 4.474 -8.544
921 HA VAL 114 HA VAL 114 12.377 3.340 -9.691
922 HB VAL 114 HB VAL 114 12.692 6.012 -10.274
923 1HG1 VAL 114 2HG1 VAL 114 15.420 4.822 -9.678
924 2HG1 VAL 114 3HG1 VAL 114 15.150 6.283 -10.659
925 3HG1 VAL 114 1HG1 VAL 114 14.684 6.266 -8.940
926 1HG2 VAL 114 1HG2 VAL 114 12.484 3.899 -11.743
927 2HG2 VAL 114 2HG2 VAL 114 13.413 5.275 -12.381
928 3HG2 VAL 114 3HG2 VAL 114 14.263 3.866 -11.705
929 H ALA 115 H ALA 115 13.363 1.719 -8.596
930 HA ALA 115 HA ALA 115 15.859 2.327 -7.277
931 1HB ALA 115 3HB ALA 115 13.356 1.871 -5.823
932 2HB ALA 115 1HB ALA 115 14.609 0.682 -5.398
933 3HB ALA 115 2HB ALA 115 14.937 2.422 -5.221
934 H SER 116 H SER 116 16.470 1.133 -9.277
935 HA SER 116 HA SER 116 17.340 -1.294 -8.896
936 HB SER 116 2HB SER 116 15.445 -2.539 -8.476
937 HB SER 116 QB SER 116 15.445 -2.539 -8.476
938 HG SER 116 HG SER 116 13.844 -1.154 -10.423
No H/Q in entry = 795
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