NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
22910 |
2jrt   |
15344 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 HA MET 1 HA MET 1 6.614 20.065 7.862
2 H1 MET 1 1H MET 1 6.301 20.691 10.162
3 H2 MET 1 2H MET 1 7.301 19.328 10.047
4 H3 MET 1 3H MET 1 5.682 19.154 10.523
5 HB2 MET 1 2HB MET 1 5.325 17.474 8.755
6 HB3 MET 1 1HB MET 1 5.558 17.938 7.079
7 HG2 MET 1 2HG MET 1 7.279 16.421 7.638
8 HG3 MET 1 1HG MET 1 8.016 18.018 7.527
9 HE1 MET 1 3HE MET 1 10.164 17.109 8.763
10 HE2 MET 1 1HE MET 1 9.441 15.506 8.909
11 HE3 MET 1 2HE MET 1 10.131 16.295 10.326
12 H TYR 2 H TYR 2 4.870 20.333 6.324
13 HA TYR 2 HA TYR 2 2.235 20.730 7.569
14 HD1 TYR 2 HD2 TYR 2 1.229 23.120 8.290
15 HD2 TYR 2 HD1 TYR 2 5.194 23.623 6.838
16 HE1 TYR 2 HE2 TYR 2 1.715 24.624 10.167
17 HE2 TYR 2 HE1 TYR 2 5.693 25.133 8.715
18 HH TYR 2 HH TYR 2 3.679 25.397 11.430
19 HB2 TYR 2 2HB TYR 2 3.608 22.482 5.528
20 HB3 TYR 2 1HB TYR 2 1.892 22.596 5.900
21 H LEU 3 H LEU 3 0.800 19.416 6.772
22 HA LEU 3 HA LEU 3 -0.479 18.201 5.354
23 HG LEU 3 HG LEU 3 -1.713 18.282 3.243
24 HB2 LEU 3 2HB LEU 3 -0.105 20.201 3.805
25 HB3 LEU 3 1HB LEU 3 1.137 19.239 3.034
26 HD11 LEU 3 1HD1 LEU 3 -2.030 19.120 0.966
27 HD12 LEU 3 2HD1 LEU 3 -0.443 19.889 1.032
28 HD13 LEU 3 3HD1 LEU 3 -1.730 20.429 2.109
29 HD21 LEU 3 3HD2 LEU 3 0.554 17.572 1.382
30 HD22 LEU 3 1HD2 LEU 3 -1.078 16.910 1.316
31 HD23 LEU 3 2HD2 LEU 3 -0.049 16.580 2.708
32 H LYS 4 H LYS 4 2.856 18.218 4.095
33 HA LYS 4 HA LYS 4 2.691 15.371 3.588
34 HB2 LYS 4 2HB LYS 4 4.837 17.424 3.078
35 HB3 LYS 4 1HB LYS 4 5.075 15.709 2.777
36 HG2 LYS 4 2HG LYS 4 2.900 17.364 1.516
37 HG3 LYS 4 1HG LYS 4 4.458 17.021 0.763
38 HD2 LYS 4 2HD LYS 4 3.954 14.593 0.963
39 HD3 LYS 4 1HD LYS 4 2.356 15.014 1.575
40 HE2 LYS 4 2HE LYS 4 1.787 16.094 -0.498
41 HE3 LYS 4 1HE LYS 4 3.428 15.880 -1.106
42 HZ1 LYS 4 3HZ LYS 4 1.475 13.719 -0.514
43 HZ2 LYS 4 1HZ LYS 4 3.080 13.468 -1.002
44 HZ3 LYS 4 2HZ LYS 4 1.981 14.223 -2.052
45 H ARG 5 H ARG 5 2.429 14.748 5.835
46 HA ARG 5 HA ARG 5 5.101 14.299 6.973
47 HE ARG 5 HE ARG 5 4.769 13.029 11.891
48 HB2 ARG 5 2HB ARG 5 3.991 15.853 8.484
49 HB3 ARG 5 1HB ARG 5 2.572 14.816 8.556
50 HG2 ARG 5 2HG ARG 5 3.953 13.051 9.596
51 HG3 ARG 5 1HG ARG 5 5.324 14.159 9.589
52 HD2 ARG 5 2HD ARG 5 4.202 15.649 11.093
53 HD3 ARG 5 1HD ARG 5 2.711 14.713 10.984
54 HH11 ARG 5 1HH1 ARG 5 2.912 15.792 13.019
55 HH12 ARG 5 2HH1 ARG 5 3.004 15.306 14.688
56 HH21 ARG 5 1HH2 ARG 5 4.880 12.413 14.060
57 HH22 ARG 5 2HH2 ARG 5 4.108 13.392 15.279
58 H VAL 6 H VAL 6 5.370 12.293 6.149
59 HA VAL 6 HA VAL 6 3.305 10.286 6.592
60 HB VAL 6 HB VAL 6 6.028 9.919 5.329
61 HG11 VAL 6 1HG1 VAL 6 3.542 8.209 5.244
62 HG12 VAL 6 2HG1 VAL 6 5.030 7.846 6.118
63 HG13 VAL 6 3HG1 VAL 6 5.034 7.898 4.355
64 HG21 VAL 6 3HG2 VAL 6 4.783 11.563 4.068
65 HG22 VAL 6 1HG2 VAL 6 3.376 10.500 4.018
66 HG23 VAL 6 2HG2 VAL 6 4.852 10.046 3.168
67 H ASP 7 H ASP 7 3.332 10.153 8.834
68 HA ASP 7 HA ASP 7 5.836 9.533 10.179
69 HB2 ASP 7 2HB ASP 7 3.842 11.063 11.028
70 HB3 ASP 7 1HB ASP 7 3.202 9.525 11.599
71 H GLY 8 H GLY 8 5.269 7.785 12.092
72 HA2 GLY 8 2HA GLY 8 4.294 5.589 12.430
73 HA3 GLY 8 1HA GLY 8 4.220 5.411 10.681
74 HA PRO 9 HA PRO 9 8.176 3.503 12.346
75 HB2 PRO 9 2HB PRO 9 7.174 0.962 11.334
76 HB3 PRO 9 1HB PRO 9 7.702 1.380 12.967
77 HG2 PRO 9 2HG PRO 9 5.113 0.869 12.336
78 HG3 PRO 9 1HG PRO 9 5.590 1.975 13.635
79 HD2 PRO 9 2HD PRO 9 4.681 2.600 10.849
80 HD3 PRO 9 1HD PRO 9 4.278 3.414 12.377
81 H ARG 10 H ARG 10 9.901 2.668 11.098
82 HA ARG 10 HA ARG 10 9.842 3.313 8.318
83 HE ARG 10 HE ARG 10 13.451 5.770 10.820
84 HB2 ARG 10 2HB ARG 10 11.898 1.729 9.871
85 HB3 ARG 10 1HB ARG 10 12.127 2.425 8.275
86 HG2 ARG 10 2HG ARG 10 11.870 4.664 9.208
87 HG3 ARG 10 1HG ARG 10 11.629 3.966 10.812
88 HD2 ARG 10 2HD ARG 10 13.862 2.974 10.710
89 HD3 ARG 10 1HD ARG 10 14.102 3.680 9.113
90 HH11 ARG 10 1HH1 ARG 10 16.003 3.385 10.506
91 HH12 ARG 10 2HH1 ARG 10 17.217 4.396 11.225
92 HH21 ARG 10 1HH2 ARG 10 15.041 7.103 11.763
93 HH22 ARG 10 2HH2 ARG 10 16.674 6.525 11.918
94 H GLN 11 H GLN 11 9.319 0.468 10.191
95 HA GLN 11 HA GLN 11 8.429 -0.939 7.826
96 HB2 GLN 11 2HB GLN 11 9.638 -3.015 8.492
97 HB3 GLN 11 1HB GLN 11 10.690 -1.729 7.926
98 HG2 GLN 11 2HG GLN 11 11.182 -1.166 10.290
99 HG3 GLN 11 1HG GLN 11 10.223 -2.561 10.780
100 HE21 GLN 11 1HE2 GLN 11 11.993 -3.565 11.750
101 HE22 GLN 11 2HE2 GLN 11 13.272 -4.274 10.820
102 H VAL 12 H VAL 12 6.630 -2.026 8.193
103 HA VAL 12 HA VAL 12 5.764 -2.328 10.992
104 HB VAL 12 HB VAL 12 3.444 -2.372 10.101
105 HG11 VAL 12 1HG1 VAL 12 4.416 -0.305 10.971
106 HG12 VAL 12 2HG1 VAL 12 3.285 0.024 9.656
107 HG13 VAL 12 3HG1 VAL 12 5.023 0.089 9.363
108 HG21 VAL 12 3HG2 VAL 12 3.897 -3.138 7.840
109 HG22 VAL 12 1HG2 VAL 12 4.771 -1.646 7.488
110 HG23 VAL 12 2HG2 VAL 12 3.036 -1.598 7.800
111 H THR 13 H THR 13 4.165 -4.174 11.286
112 HA THR 13 HA THR 13 5.306 -6.534 9.947
113 HB THR 13 HB THR 13 3.820 -6.485 12.581
114 HG1 THR 13 HG1 THR 13 6.362 -5.674 11.949
115 HG21 THR 13 3HG2 THR 13 5.716 -8.498 11.354
116 HG22 THR 13 1HG2 THR 13 3.967 -8.677 11.483
117 HG23 THR 13 2HG2 THR 13 4.959 -8.633 12.941
118 H LEU 14 H LEU 14 3.945 -8.108 9.101
119 HA LEU 14 HA LEU 14 1.162 -7.273 8.690
120 HG LEU 14 HG LEU 14 2.297 -8.073 5.244
121 HB2 LEU 14 2HB LEU 14 2.836 -9.392 7.331
122 HB3 LEU 14 1HB LEU 14 1.141 -9.121 6.989
123 HD11 LEU 14 1HD1 LEU 14 1.660 -5.943 7.269
124 HD12 LEU 14 2HD1 LEU 14 0.537 -6.677 6.125
125 HD13 LEU 14 3HD1 LEU 14 1.870 -5.686 5.537
126 HD21 LEU 14 3HD2 LEU 14 4.500 -8.132 6.409
127 HD22 LEU 14 1HD2 LEU 14 4.044 -6.630 7.208
128 HD23 LEU 14 2HD2 LEU 14 4.194 -6.688 5.451
129 HA PRO 15 HA PRO 15 -0.388 -10.561 11.292
130 HB2 PRO 15 2HB PRO 15 -2.640 -11.276 9.921
131 HB3 PRO 15 1HB PRO 15 -2.535 -9.825 10.924
132 HG2 PRO 15 2HG PRO 15 -2.331 -10.103 7.957
133 HG3 PRO 15 1HG PRO 15 -3.121 -8.837 8.917
134 HD2 PRO 15 2HD PRO 15 -0.681 -8.524 7.750
135 HD3 PRO 15 1HD PRO 15 -1.157 -7.684 9.236
136 H ASP 16 H ASP 16 0.353 -10.890 7.981
137 HA ASP 16 HA ASP 16 0.137 -13.697 7.663
138 HB2 ASP 16 2HB ASP 16 2.068 -11.864 6.230
139 HB3 ASP 16 1HB ASP 16 1.395 -13.380 5.644
140 H GLY 17 H GLY 17 2.424 -11.639 9.217
141 HA2 GLY 17 2HA GLY 17 4.187 -12.452 10.612
142 HA3 GLY 17 1HA GLY 17 4.272 -13.898 9.607
143 H THR 18 H THR 18 3.869 -11.358 7.603
144 HA THR 18 HA THR 18 6.629 -11.402 6.745
145 HB THR 18 HB THR 18 4.346 -9.826 5.535
146 HG1 THR 18 HG1 THR 18 5.087 -12.530 5.002
147 HG21 THR 18 3HG2 THR 18 6.603 -9.353 4.662
148 HG22 THR 18 1HG2 THR 18 5.577 -10.126 3.453
149 HG23 THR 18 2HG2 THR 18 6.807 -11.067 4.296
150 H VAL 19 H VAL 19 7.713 -9.347 6.189
151 HA VAL 19 HA VAL 19 7.066 -7.187 8.082
152 HB VAL 19 HB VAL 19 9.723 -7.797 6.761
153 HG11 VAL 19 1HG1 VAL 19 9.459 -5.425 7.178
154 HG12 VAL 19 2HG1 VAL 19 10.637 -6.111 8.299
155 HG13 VAL 19 3HG1 VAL 19 9.001 -5.745 8.850
156 HG21 VAL 19 3HG2 VAL 19 9.216 -9.481 8.405
157 HG22 VAL 19 1HG2 VAL 19 8.801 -8.248 9.595
158 HG23 VAL 19 2HG2 VAL 19 10.467 -8.410 9.038
159 H LEU 20 H LEU 20 6.591 -5.220 7.279
160 HA LEU 20 HA LEU 20 6.927 -4.803 4.382
161 HG LEU 20 HG LEU 20 5.112 -2.194 4.382
162 HB2 LEU 20 2HB LEU 20 4.582 -5.096 4.987
163 HB3 LEU 20 1HB LEU 20 4.706 -3.828 6.186
164 HD11 LEU 20 1HD1 LEU 20 4.725 -2.834 2.058
165 HD12 LEU 20 2HD1 LEU 20 4.552 -4.521 2.544
166 HD13 LEU 20 3HD1 LEU 20 6.102 -3.704 2.735
167 HD21 LEU 20 3HD2 LEU 20 2.862 -2.577 5.238
168 HD22 LEU 20 1HD2 LEU 20 2.620 -3.856 4.047
169 HD23 LEU 20 2HD2 LEU 20 2.832 -2.186 3.520
170 H SER 21 H SER 21 8.802 -3.660 4.424
171 HA SER 21 HA SER 21 9.065 -1.401 6.227
172 HG SER 21 HG SER 21 10.689 -3.390 3.616
173 HB2 SER 21 2HB SER 21 11.307 -1.169 5.279
174 HB3 SER 21 1HB SER 21 11.022 -2.840 5.760
175 H ARG 22 H ARG 22 9.956 0.675 5.155
176 HA ARG 22 HA ARG 22 8.023 1.561 3.227
177 HE ARG 22 HE ARG 22 7.083 4.470 7.035
178 HB2 ARG 22 2HB ARG 22 10.398 2.891 4.526
179 HB3 ARG 22 1HB ARG 22 9.406 3.701 3.317
180 HG2 ARG 22 2HG ARG 22 7.448 3.465 4.715
181 HG3 ARG 22 1HG ARG 22 8.380 2.562 5.908
182 HD2 ARG 22 2HD ARG 22 9.691 4.474 6.444
183 HD3 ARG 22 1HD ARG 22 9.020 5.384 5.087
184 HH11 ARG 22 1HH1 ARG 22 9.233 7.067 6.100
185 HH12 ARG 22 2HH1 ARG 22 8.301 8.292 6.898
186 HH21 ARG 22 1HH2 ARG 22 5.856 6.084 8.083
187 HH22 ARG 22 2HH2 ARG 22 6.392 7.736 8.027
188 H ALA 23 H ALA 23 10.745 -0.228 2.954
189 HA ALA 23 HA ALA 23 11.373 0.723 0.255
190 HB1 ALA 23 3HB ALA 23 13.296 -0.761 0.361
191 HB2 ALA 23 1HB ALA 23 12.752 -1.382 1.921
192 HB3 ALA 23 2HB ALA 23 13.261 0.299 1.770
193 H ASP 24 H ASP 24 9.501 -1.582 1.896
194 HA ASP 24 HA ASP 24 9.563 -3.637 -0.121
195 HB2 ASP 24 2HB ASP 24 8.011 -3.200 2.396
196 HB3 ASP 24 1HB ASP 24 7.395 -4.346 1.210
197 H LEU 25 H LEU 25 7.918 -0.689 0.301
198 HA LEU 25 HA LEU 25 5.499 -1.092 -0.974
199 HG LEU 25 HG LEU 25 6.089 0.694 1.192
200 HB2 LEU 25 2HB LEU 25 7.356 1.267 -0.900
201 HB3 LEU 25 1HB LEU 25 5.822 1.331 -1.749
202 HD11 LEU 25 1HD1 LEU 25 5.276 2.975 1.565
203 HD12 LEU 25 2HD1 LEU 25 5.374 3.290 -0.167
204 HD13 LEU 25 3HD1 LEU 25 6.843 2.968 0.755
205 HD21 LEU 25 3HD2 LEU 25 4.073 -0.193 0.129
206 HD22 LEU 25 1HD2 LEU 25 3.703 1.405 -0.515
207 HD23 LEU 25 2HD2 LEU 25 3.684 1.130 1.226
208 HA PRO 26 HA PRO 26 6.493 -2.351 -5.088
209 HB2 PRO 26 2HB PRO 26 4.234 -1.359 -6.322
210 HB3 PRO 26 1HB PRO 26 4.295 -2.889 -5.442
211 HG2 PRO 26 2HG PRO 26 3.316 -0.217 -4.529
212 HG3 PRO 26 1HG PRO 26 2.635 -1.829 -4.235
213 HD2 PRO 26 2HD PRO 26 4.056 -0.544 -2.359
214 HD3 PRO 26 1HD PRO 26 4.158 -2.306 -2.558
215 HA PRO 27 HA PRO 27 8.395 1.031 -7.192
216 HB2 PRO 27 2HB PRO 27 7.353 -0.108 -9.728
217 HB3 PRO 27 1HB PRO 27 9.019 0.236 -9.252
218 HG2 PRO 27 2HG PRO 27 8.116 -2.271 -9.343
219 HG3 PRO 27 1HG PRO 27 9.230 -1.745 -8.064
220 HD2 PRO 27 2HD PRO 27 6.271 -2.185 -7.947
221 HD3 PRO 27 1HD PRO 27 7.518 -2.573 -6.744
222 H LEU 28 H LEU 28 7.952 2.977 -8.249
223 HA LEU 28 HA LEU 28 5.186 3.793 -8.087
224 HG LEU 28 HG LEU 28 7.860 4.657 -6.601
225 HB2 LEU 28 2HB LEU 28 7.624 5.353 -8.954
226 HB3 LEU 28 1HB LEU 28 6.047 6.028 -8.592
227 HD11 LEU 28 1HD1 LEU 28 8.738 6.814 -7.286
228 HD12 LEU 28 2HD1 LEU 28 8.112 6.897 -5.639
229 HD13 LEU 28 3HD1 LEU 28 7.175 7.569 -6.973
230 HD21 LEU 28 3HD2 LEU 28 6.265 5.439 -4.932
231 HD22 LEU 28 1HD2 LEU 28 5.492 4.351 -6.086
232 HD23 LEU 28 2HD2 LEU 28 5.237 6.093 -6.209
233 H ASP 29 H ASP 29 7.414 2.804 -10.501
234 HA ASP 29 HA ASP 29 6.090 4.087 -12.711
235 HB2 ASP 29 2HB ASP 29 8.228 1.945 -12.663
236 HB3 ASP 29 1HB ASP 29 7.683 2.798 -14.103
237 H THR 30 H THR 30 5.555 1.270 -10.916
238 HA THR 30 HA THR 30 4.705 -0.414 -13.062
239 HB THR 30 HB THR 30 5.548 -1.190 -10.759
240 HG1 THR 30 HG1 THR 30 4.628 -2.626 -12.287
241 HG21 THR 30 3HG2 THR 30 3.849 -1.548 -9.048
242 HG22 THR 30 1HG2 THR 30 2.659 -0.702 -10.038
243 HG23 THR 30 2HG2 THR 30 4.043 0.173 -9.381
244 H ARG 31 H ARG 31 2.718 -0.740 -13.875
245 HA ARG 31 HA ARG 31 0.505 0.787 -12.679
246 HE ARG 31 HE ARG 31 0.824 3.682 -14.202
247 HB2 ARG 31 2HB ARG 31 1.481 1.707 -14.863
248 HB3 ARG 31 1HB ARG 31 0.792 0.288 -15.638
249 HG2 ARG 31 2HG ARG 31 -0.621 2.295 -15.819
250 HG3 ARG 31 1HG ARG 31 -1.423 0.949 -15.010
251 HD2 ARG 31 2HD ARG 31 -1.843 3.095 -13.887
252 HD3 ARG 31 1HD ARG 31 -1.000 1.948 -12.849
253 HH11 ARG 31 1HH1 ARG 31 -1.408 3.506 -11.516
254 HH12 ARG 31 2HH1 ARG 31 -0.586 4.710 -10.573
255 HH21 ARG 31 1HH2 ARG 31 1.895 5.307 -12.977
256 HH22 ARG 31 2HH2 ARG 31 1.301 5.717 -11.397
257 H ARG 32 H ARG 32 1.675 -2.124 -14.126
258 HA ARG 32 HA ARG 32 -0.850 -3.471 -14.174
259 HE ARG 32 HE ARG 32 -0.110 -6.296 -16.926
260 HB2 ARG 32 2HB ARG 32 0.967 -4.281 -15.577
261 HB3 ARG 32 1HB ARG 32 1.980 -4.542 -14.167
262 HG2 ARG 32 2HG ARG 32 0.589 -6.338 -13.417
263 HG3 ARG 32 1HG ARG 32 -0.609 -5.996 -14.664
264 HD2 ARG 32 2HD ARG 32 2.236 -6.761 -15.279
265 HD3 ARG 32 1HD ARG 32 0.935 -7.940 -15.118
266 HH11 ARG 32 1HH1 ARG 32 3.130 -7.619 -16.724
267 HH12 ARG 32 2HH1 ARG 32 3.354 -7.680 -18.446
268 HH21 ARG 32 1HH2 ARG 32 0.171 -6.388 -19.181
269 HH22 ARG 32 2HH2 ARG 32 1.672 -6.966 -19.847
270 H TRP 33 H TRP 33 -1.635 -2.834 -12.151
271 HA TRP 33 HA TRP 33 -0.270 -3.592 -9.749
272 HD1 TRP 33 HD1 TRP 33 -2.136 -0.072 -11.180
273 HE1 TRP 33 HE1 TRP 33 -0.529 1.731 -10.277
274 HE3 TRP 33 HE3 TRP 33 -0.226 -2.615 -7.187
275 HZ2 TRP 33 HZ2 TRP 33 1.288 2.034 -8.140
276 HZ3 TRP 33 HZ3 TRP 33 1.435 -1.499 -5.759
277 HH2 TRP 33 HH2 TRP 33 2.180 0.774 -6.233
278 HB2 TRP 33 2HB TRP 33 -2.965 -2.375 -10.301
279 HB3 TRP 33 1HB TRP 33 -2.463 -2.832 -8.674
280 H VAL 34 H VAL 34 -0.024 -5.766 -9.641
281 HA VAL 34 HA VAL 34 -2.264 -7.554 -9.811
282 HB VAL 34 HB VAL 34 -0.735 -9.287 -9.006
283 HG11 VAL 34 1HG1 VAL 34 0.471 -7.511 -11.121
284 HG12 VAL 34 2HG1 VAL 34 -0.723 -8.783 -11.371
285 HG13 VAL 34 3HG1 VAL 34 0.906 -9.195 -10.839
286 HG21 VAL 34 3HG2 VAL 34 1.258 -7.050 -8.689
287 HG22 VAL 34 1HG2 VAL 34 1.618 -8.771 -8.544
288 HG23 VAL 34 2HG2 VAL 34 0.531 -7.995 -7.390
289 H ALA 35 H ALA 35 -2.746 -9.020 -7.901
290 HA ALA 35 HA ALA 35 -3.988 -7.490 -5.942
291 HB1 ALA 35 3HB ALA 35 -4.449 -9.593 -4.797
292 HB2 ALA 35 1HB ALA 35 -3.252 -10.410 -5.802
293 HB3 ALA 35 2HB ALA 35 -4.711 -9.739 -6.535
294 H SER 36 H SER 36 -0.940 -9.314 -5.721
295 HA SER 36 HA SER 36 -0.531 -8.865 -2.970
296 HG SER 36 HG SER 36 0.075 -11.088 -5.106
297 HB2 SER 36 2HB SER 36 1.522 -9.419 -5.122
298 HB3 SER 36 1HB SER 36 1.770 -9.608 -3.384
299 H ARG 37 H ARG 37 0.382 -6.954 -5.794
300 HA ARG 37 HA ARG 37 2.068 -5.163 -4.339
301 HE ARG 37 HE ARG 37 4.919 -6.162 -8.159
302 HB2 ARG 37 2HB ARG 37 0.736 -4.935 -7.039
303 HB3 ARG 37 1HB ARG 37 1.788 -3.690 -6.379
304 HG2 ARG 37 2HG ARG 37 3.621 -5.310 -6.260
305 HG3 ARG 37 1HG ARG 37 2.562 -6.544 -6.941
306 HD2 ARG 37 2HD ARG 37 2.313 -5.197 -8.975
307 HD3 ARG 37 1HD ARG 37 3.388 -3.977 -8.290
308 HH11 ARG 37 1HH1 ARG 37 2.972 -4.877 -10.783
309 HH12 ARG 37 2HH1 ARG 37 4.000 -5.514 -12.025
310 HH21 ARG 37 1HH2 ARG 37 6.268 -7.001 -9.791
311 HH22 ARG 37 2HH2 ARG 37 5.855 -6.746 -11.464
312 H LYS 38 H LYS 38 -1.313 -5.121 -5.347
313 HA LYS 38 HA LYS 38 -1.963 -2.594 -4.277
314 HB2 LYS 38 2HB LYS 38 -3.691 -5.052 -4.650
315 HB3 LYS 38 1HB LYS 38 -4.307 -3.467 -4.214
316 HG2 LYS 38 2HG LYS 38 -3.266 -2.611 -6.352
317 HG3 LYS 38 1HG LYS 38 -3.008 -4.301 -6.787
318 HD2 LYS 38 2HD LYS 38 -5.351 -4.747 -6.760
319 HD3 LYS 38 1HD LYS 38 -5.700 -3.175 -6.040
320 HE2 LYS 38 2HE LYS 38 -4.698 -2.141 -8.118
321 HE3 LYS 38 1HE LYS 38 -4.715 -3.758 -8.822
322 HZ1 LYS 38 3HZ LYS 38 -6.681 -2.229 -9.282
323 HZ2 LYS 38 1HZ LYS 38 -7.164 -2.553 -7.693
324 HZ3 LYS 38 2HZ LYS 38 -7.033 -3.818 -8.811
325 H ALA 39 H ALA 39 -1.961 -5.843 -2.904
326 HA ALA 39 HA ALA 39 -3.039 -5.269 -0.395
327 HB1 ALA 39 3HB ALA 39 -0.976 -7.350 -1.103
328 HB2 ALA 39 1HB ALA 39 -2.725 -7.541 -1.221
329 HB3 ALA 39 2HB ALA 39 -1.965 -7.327 0.354
330 H ALA 40 H ALA 40 0.340 -5.242 -1.487
331 HA ALA 40 HA ALA 40 1.560 -4.693 0.958
332 HB1 ALA 40 3HB ALA 40 3.452 -3.861 -0.346
333 HB2 ALA 40 1HB ALA 40 2.439 -3.803 -1.789
334 HB3 ALA 40 2HB ALA 40 2.808 -5.353 -1.031
335 H VAL 41 H VAL 41 0.188 -2.475 -1.437
336 HA VAL 41 HA VAL 41 1.059 -0.092 -0.165
337 HB VAL 41 HB VAL 41 -1.253 -0.495 -2.067
338 HG11 VAL 41 1HG1 VAL 41 -1.032 1.908 -2.522
339 HG12 VAL 41 2HG1 VAL 41 0.179 2.030 -1.247
340 HG13 VAL 41 3HG1 VAL 41 -1.479 1.592 -0.847
341 HG21 VAL 41 3HG2 VAL 41 1.600 0.327 -2.579
342 HG22 VAL 41 1HG2 VAL 41 0.310 0.302 -3.779
343 HG23 VAL 41 2HG2 VAL 41 0.851 -1.201 -3.037
344 H VAL 42 H VAL 42 -2.065 -1.813 -0.132
345 HA VAL 42 HA VAL 42 -3.311 0.128 1.514
346 HB VAL 42 HB VAL 42 -4.597 -1.375 0.045
347 HG11 VAL 42 1HG1 VAL 42 -5.095 -3.666 0.729
348 HG12 VAL 42 2HG1 VAL 42 -3.950 -3.517 2.060
349 HG13 VAL 42 3HG1 VAL 42 -3.377 -3.451 0.395
350 HG21 VAL 42 3HG2 VAL 42 -5.732 -0.217 1.828
351 HG22 VAL 42 1HG2 VAL 42 -5.323 -1.502 2.963
352 HG23 VAL 42 2HG2 VAL 42 -6.430 -1.824 1.629
353 H LYS 43 H LYS 43 -1.670 -2.944 2.241
354 HA LYS 43 HA LYS 43 -2.292 -3.008 4.991
355 HB2 LYS 43 2HB LYS 43 0.118 -4.092 3.525
356 HB3 LYS 43 1HB LYS 43 -0.227 -4.411 5.218
357 HG2 LYS 43 2HG LYS 43 -2.314 -5.519 4.580
358 HG3 LYS 43 1HG LYS 43 -1.944 -5.218 2.879
359 HD2 LYS 43 2HD LYS 43 0.120 -6.529 3.101
360 HD3 LYS 43 1HD LYS 43 -0.261 -6.837 4.794
361 HE2 LYS 43 2HE LYS 43 -2.340 -7.977 4.063
362 HE3 LYS 43 1HE LYS 43 -1.830 -7.751 2.389
363 HZ1 LYS 43 3HZ LYS 43 -1.167 -9.916 3.005
364 HZ2 LYS 43 1HZ LYS 43 -0.513 -9.399 4.481
365 HZ3 LYS 43 2HZ LYS 43 0.249 -8.987 3.024
366 H ALA 44 H ALA 44 0.163 -1.327 3.150
367 HA ALA 44 HA ALA 44 1.814 -0.502 5.261
368 HB1 ALA 44 3HB ALA 44 2.423 -0.326 2.877
369 HB2 ALA 44 1HB ALA 44 2.650 1.189 3.748
370 HB3 ALA 44 2HB ALA 44 1.250 0.977 2.695
371 H VAL 45 H VAL 45 -0.973 1.089 3.750
372 HA VAL 45 HA VAL 45 -0.939 3.374 5.415
373 HB VAL 45 HB VAL 45 -3.273 2.135 3.950
374 HG11 VAL 45 1HG1 VAL 45 -4.275 4.376 4.071
375 HG12 VAL 45 2HG1 VAL 45 -2.929 4.911 5.080
376 HG13 VAL 45 3HG1 VAL 45 -4.033 3.669 5.668
377 HG21 VAL 45 3HG2 VAL 45 -2.780 3.801 2.210
378 HG22 VAL 45 1HG2 VAL 45 -1.444 2.674 2.448
379 HG23 VAL 45 2HG2 VAL 45 -1.350 4.304 3.114
380 H ILE 46 H ILE 46 -2.716 0.316 5.598
381 HA ILE 46 HA ILE 46 -4.299 0.943 7.826
382 HB ILE 46 HB ILE 46 -3.328 -1.756 6.871
383 HG12 ILE 46 2HG1 ILE 46 -5.955 -0.314 6.415
384 HG13 ILE 46 1HG1 ILE 46 -4.655 -0.434 5.234
385 HG21 ILE 46 1HG2 ILE 46 -4.042 -1.911 9.181
386 HG22 ILE 46 2HG2 ILE 46 -5.238 -2.671 8.130
387 HG23 ILE 46 3HG2 ILE 46 -5.543 -1.067 8.799
388 HD11 ILE 46 3HD1 ILE 46 -4.932 -2.851 5.161
389 HD12 ILE 46 1HD1 ILE 46 -6.443 -2.025 4.776
390 HD13 ILE 46 2HD1 ILE 46 -6.210 -2.747 6.371
391 H HIS 47 H HIS 47 -1.048 -0.468 7.629
392 HA HIS 47 HA HIS 47 -0.979 -0.869 10.500
393 HD1 HIS 47 HD1 HIS 47 -0.738 -3.154 11.185
394 HD2 HIS 47 HD2 HIS 47 0.508 -3.753 7.263
395 HE1 HIS 47 HE1 HIS 47 -1.503 -5.471 10.577
396 HE2 HIS 47 HE2 HIS 47 -0.586 -5.868 8.269
397 HB2 HIS 47 2HB HIS 47 1.060 -1.363 8.339
398 HB3 HIS 47 1HB HIS 47 1.415 -1.578 10.049
399 H GLY 48 H GLY 48 -0.580 1.791 8.590
400 HA2 GLY 48 2HA GLY 48 -0.022 3.922 9.312
401 HA3 GLY 48 1HA GLY 48 0.598 3.225 10.803
402 H LEU 49 H LEU 49 1.702 1.909 7.829
403 HA LEU 49 HA LEU 49 4.411 2.690 8.321
404 HG LEU 49 HG LEU 49 5.490 2.356 5.532
405 HB2 LEU 49 2HB LEU 49 3.775 0.552 7.232
406 HB3 LEU 49 1HB LEU 49 3.150 1.454 5.864
407 HD11 LEU 49 1HD1 LEU 49 7.316 1.073 6.520
408 HD12 LEU 49 2HD1 LEU 49 6.153 0.154 7.477
409 HD13 LEU 49 3HD1 LEU 49 6.352 1.883 7.758
410 HD21 LEU 49 3HD2 LEU 49 5.049 -0.614 5.298
411 HD22 LEU 49 1HD2 LEU 49 6.269 0.312 4.424
412 HD23 LEU 49 2HD2 LEU 49 4.554 0.609 4.129
413 H ILE 50 H ILE 50 1.950 3.469 5.929
414 HA ILE 50 HA ILE 50 3.150 6.127 5.591
415 HB ILE 50 HB ILE 50 2.558 6.150 3.217
416 HG12 ILE 50 2HG1 ILE 50 1.954 3.201 3.459
417 HG13 ILE 50 1HG1 ILE 50 0.708 4.443 3.465
418 HG21 ILE 50 1HG2 ILE 50 4.820 5.488 3.805
419 HG22 ILE 50 2HG2 ILE 50 4.277 4.624 2.366
420 HG23 ILE 50 3HG2 ILE 50 4.312 3.803 3.926
421 HD11 ILE 50 3HD1 ILE 50 0.970 3.413 1.271
422 HD12 ILE 50 1HD1 ILE 50 2.656 3.933 1.228
423 HD13 ILE 50 2HD1 ILE 50 1.363 5.133 1.235
424 H THR 51 H THR 51 1.317 7.466 4.253
425 HA THR 51 HA THR 51 -1.180 6.876 5.675
426 HB THR 51 HB THR 51 -0.088 9.055 6.256
427 HG1 THR 51 HG1 THR 51 -2.250 10.222 5.454
428 HG21 THR 51 3HG2 THR 51 0.794 9.624 4.045
429 HG22 THR 51 1HG2 THR 51 -0.239 10.909 4.672
430 HG23 THR 51 2HG2 THR 51 -0.849 9.810 3.435
431 H GLU 52 H GLU 52 -3.178 7.334 4.571
432 HA GLU 52 HA GLU 52 -3.396 5.979 2.165
433 HB2 GLU 52 2HB GLU 52 -5.205 6.432 3.853
434 HB3 GLU 52 1HB GLU 52 -5.335 8.055 3.196
435 HG2 GLU 52 2HG GLU 52 -5.934 7.080 1.010
436 HG3 GLU 52 1HG GLU 52 -5.880 5.478 1.740
437 H ARG 53 H ARG 53 -3.276 9.476 2.740
438 HA ARG 53 HA ARG 53 -3.710 10.192 0.030
439 HE ARG 53 HE ARG 53 -7.186 11.684 0.801
440 HB2 ARG 53 2HB ARG 53 -2.784 11.671 2.461
441 HB3 ARG 53 1HB ARG 53 -2.700 12.437 0.878
442 HG2 ARG 53 2HG ARG 53 -5.201 11.258 2.057
443 HG3 ARG 53 1HG ARG 53 -4.761 12.966 2.144
444 HD2 ARG 53 2HD ARG 53 -4.889 13.213 -0.207
445 HD3 ARG 53 1HD ARG 53 -4.970 11.468 -0.454
446 HH11 ARG 53 1HH1 ARG 53 -5.867 14.148 -1.318
447 HH12 ARG 53 2HH1 ARG 53 -7.428 14.773 -1.774
448 HH21 ARG 53 1HH2 ARG 53 -9.230 12.513 0.228
449 HH22 ARG 53 2HH2 ARG 53 -9.340 13.856 -0.870
450 H GLU 54 H GLU 54 -0.926 9.145 1.732
451 HA GLU 54 HA GLU 54 0.976 10.304 -0.088
452 HB2 GLU 54 2HB GLU 54 1.711 9.842 2.165
453 HB3 GLU 54 1HB GLU 54 1.239 8.154 2.022
454 HG2 GLU 54 2HG GLU 54 3.609 8.289 1.846
455 HG3 GLU 54 1HG GLU 54 2.959 7.871 0.264
456 H ALA 55 H ALA 55 -0.671 7.236 0.344
457 HA ALA 55 HA ALA 55 0.730 5.810 -1.663
458 HB1 ALA 55 3HB ALA 55 -0.594 4.675 0.037
459 HB2 ALA 55 1HB ALA 55 -1.144 4.232 -1.578
460 HB3 ALA 55 2HB ALA 55 -2.070 5.385 -0.616
461 H LEU 56 H LEU 56 -2.353 7.564 -1.699
462 HA LEU 56 HA LEU 56 -2.987 7.179 -4.409
463 HG LEU 56 HG LEU 56 -4.342 7.551 -1.523
464 HB2 LEU 56 2HB LEU 56 -3.638 9.596 -2.722
465 HB3 LEU 56 1HB LEU 56 -4.503 9.042 -4.144
466 HD11 LEU 56 1HD1 LEU 56 -6.709 8.174 -1.291
467 HD12 LEU 56 2HD1 LEU 56 -6.568 9.188 -2.728
468 HD13 LEU 56 3HD1 LEU 56 -5.637 9.574 -1.280
469 HD21 LEU 56 3HD2 LEU 56 -4.598 6.052 -3.410
470 HD22 LEU 56 1HD2 LEU 56 -5.939 7.019 -4.025
471 HD23 LEU 56 2HD2 LEU 56 -6.106 6.150 -2.500
472 H ASP 57 H ASP 57 -0.935 9.470 -2.779
473 HA ASP 57 HA ASP 57 -0.600 11.325 -4.884
474 HB2 ASP 57 2HB ASP 57 -0.124 11.778 -2.487
475 HB3 ASP 57 1HB ASP 57 1.258 10.696 -2.581
476 H ARG 58 H ARG 58 1.485 8.683 -3.716
477 HA ARG 58 HA ARG 58 3.477 9.277 -5.689
478 HE ARG 58 HE ARG 58 4.146 7.640 -1.354
479 HB2 ARG 58 2HB ARG 58 4.718 7.397 -4.735
480 HB3 ARG 58 1HB ARG 58 4.133 8.485 -3.486
481 HG2 ARG 58 2HG ARG 58 2.340 6.951 -2.949
482 HG3 ARG 58 1HG ARG 58 2.857 5.866 -4.241
483 HD2 ARG 58 2HD ARG 58 3.641 5.127 -2.030
484 HD3 ARG 58 1HD ARG 58 4.975 5.496 -3.122
485 HH11 ARG 58 1HH1 ARG 58 6.331 4.965 -1.904
486 HH12 ARG 58 2HH1 ARG 58 7.536 5.548 -0.798
487 HH21 ARG 58 1HH2 ARG 58 5.725 8.430 0.101
488 HH22 ARG 58 2HH2 ARG 58 7.198 7.530 0.327
489 H TYR 59 H TYR 59 0.881 6.927 -5.448
490 HA TYR 59 HA TYR 59 1.964 5.486 -7.758
491 HD1 TYR 59 HD2 TYR 59 2.892 3.389 -7.118
492 HD2 TYR 59 HD1 TYR 59 0.274 4.162 -3.854
493 HE1 TYR 59 HE2 TYR 59 4.480 2.296 -5.594
494 HE2 TYR 59 HE1 TYR 59 1.857 3.076 -2.322
495 HH TYR 59 HH TYR 59 5.048 2.296 -3.225
496 HB2 TYR 59 2HB TYR 59 -0.370 4.809 -5.963
497 HB3 TYR 59 1HB TYR 59 0.214 3.809 -7.288
498 H SER 60 H SER 60 0.141 8.112 -7.328
499 HA SER 60 HA SER 60 -1.377 9.272 -8.546
500 HG SER 60 HG SER 60 1.274 8.236 -10.210
501 HB2 SER 60 2HB SER 60 -0.633 7.364 -10.775
502 HB3 SER 60 1HB SER 60 -1.344 8.970 -10.952
503 H LEU 61 H LEU 61 -2.859 8.104 -7.002
504 HA LEU 61 HA LEU 61 -4.777 6.435 -8.506
505 HG LEU 61 HG LEU 61 -2.269 5.230 -7.058
506 HB2 LEU 61 2HB LEU 61 -4.060 6.164 -5.586
507 HB3 LEU 61 1HB LEU 61 -5.228 5.191 -6.457
508 HD11 LEU 61 1HD1 LEU 61 -2.687 4.327 -4.839
509 HD12 LEU 61 2HD1 LEU 61 -2.215 3.047 -5.957
510 HD13 LEU 61 3HD1 LEU 61 -3.906 3.238 -5.499
511 HD21 LEU 61 3HD2 LEU 61 -4.481 3.393 -7.981
512 HD22 LEU 61 1HD2 LEU 61 -2.766 3.217 -8.352
513 HD23 LEU 61 2HD2 LEU 61 -3.662 4.605 -8.965
514 H SER 62 H SER 62 -6.969 6.481 -7.631
515 HA SER 62 HA SER 62 -7.634 9.037 -6.351
516 HG SER 62 HG SER 62 -8.017 9.308 -8.690
517 HB2 SER 62 2HB SER 62 -9.490 7.089 -7.752
518 HB3 SER 62 1HB SER 62 -9.891 8.714 -7.200
519 H GLU 63 H GLU 63 -9.431 8.921 -4.689
520 HA GLU 63 HA GLU 63 -8.685 7.053 -2.709
521 HB2 GLU 63 2HB GLU 63 -9.704 9.427 -2.466
522 HB3 GLU 63 1HB GLU 63 -11.251 8.600 -2.612
523 HG2 GLU 63 2HG GLU 63 -10.766 7.244 -0.697
524 HG3 GLU 63 1HG GLU 63 -9.139 7.910 -0.599
525 H GLU 64 H GLU 64 -11.360 7.219 -4.990
526 HA GLU 64 HA GLU 64 -12.854 5.054 -3.977
527 HB2 GLU 64 2HB GLU 64 -13.868 4.955 -6.219
528 HB3 GLU 64 1HB GLU 64 -13.792 6.599 -5.599
529 HG2 GLU 64 2HG GLU 64 -11.619 6.791 -6.950
530 HG3 GLU 64 1HG GLU 64 -12.174 5.334 -7.775
531 H GLU 65 H GLU 65 -10.007 5.212 -5.966
532 HA GLU 65 HA GLU 65 -9.946 2.513 -6.832
533 HB2 GLU 65 2HB GLU 65 -8.588 4.272 -7.877
534 HB3 GLU 65 1HB GLU 65 -7.703 4.500 -6.378
535 HG2 GLU 65 2HG GLU 65 -6.315 3.251 -7.809
536 HG3 GLU 65 1HG GLU 65 -6.923 2.130 -6.594
537 H PHE 66 H PHE 66 -8.357 4.229 -4.159
538 HA PHE 66 HA PHE 66 -7.119 2.007 -2.983
539 HD1 PHE 66 HD2 PHE 66 -4.760 2.993 -1.728
540 HD2 PHE 66 HD1 PHE 66 -8.233 3.655 0.639
541 HE1 PHE 66 HE2 PHE 66 -3.543 2.224 0.268
542 HE2 PHE 66 HE1 PHE 66 -7.024 2.895 2.637
543 HZ PHE 66 HZ PHE 66 -4.675 2.173 2.452
544 HB2 PHE 66 2HB PHE 66 -6.623 4.416 -2.497
545 HB3 PHE 66 1HB PHE 66 -8.115 4.495 -1.571
546 H ALA 67 H ALA 67 -10.357 3.332 -2.651
547 HA ALA 67 HA ALA 67 -11.260 1.814 -0.480
548 HB1 ALA 67 3HB ALA 67 -13.507 2.219 -1.331
549 HB2 ALA 67 1HB ALA 67 -12.840 2.725 -2.884
550 HB3 ALA 67 2HB ALA 67 -12.523 3.679 -1.435
551 H LEU 68 H LEU 68 -11.042 1.045 -3.917
552 HA LEU 68 HA LEU 68 -12.289 -1.502 -3.766
553 HG LEU 68 HG LEU 68 -12.420 0.792 -5.799
554 HB2 LEU 68 2HB LEU 68 -10.254 -0.432 -5.725
555 HB3 LEU 68 1HB LEU 68 -11.131 -1.934 -5.927
556 HD11 LEU 68 1HD1 LEU 68 -11.835 -0.982 -8.164
557 HD12 LEU 68 2HD1 LEU 68 -11.044 0.550 -7.798
558 HD13 LEU 68 3HD1 LEU 68 -12.759 0.518 -8.203
559 HD21 LEU 68 3HD2 LEU 68 -14.407 -0.378 -6.588
560 HD22 LEU 68 1HD2 LEU 68 -13.866 -1.032 -5.043
561 HD23 LEU 68 2HD2 LEU 68 -13.536 -1.911 -6.535
562 H TRP 69 H TRP 69 -8.921 -0.413 -3.614
563 HA TRP 69 HA TRP 69 -7.669 -2.902 -3.517
564 HD1 TRP 69 HD1 TRP 69 -7.969 -0.785 -5.325
565 HE1 TRP 69 HE1 TRP 69 -6.461 -0.025 -7.260
566 HE3 TRP 69 HE3 TRP 69 -3.498 -0.657 -2.843
567 HZ2 TRP 69 HZ2 TRP 69 -3.722 0.533 -7.678
568 HZ3 TRP 69 HZ3 TRP 69 -1.484 -0.003 -4.090
569 HH2 TRP 69 HH2 TRP 69 -1.595 0.576 -6.455
570 HB2 TRP 69 2HB TRP 69 -6.845 -0.283 -2.246
571 HB3 TRP 69 1HB TRP 69 -5.808 -1.702 -2.318
572 H ARG 70 H ARG 70 -8.673 -0.870 -0.744
573 HA ARG 70 HA ARG 70 -7.886 -2.780 1.178
574 HE ARG 70 HE ARG 70 -12.249 1.459 1.901
575 HB2 ARG 70 2HB ARG 70 -9.162 -1.443 2.792
576 HB3 ARG 70 1HB ARG 70 -8.116 -0.452 1.790
577 HG2 ARG 70 2HG ARG 70 -10.112 0.106 0.399
578 HG3 ARG 70 1HG ARG 70 -11.102 -0.748 1.585
579 HD2 ARG 70 2HD ARG 70 -10.263 0.754 3.343
580 HD3 ARG 70 1HD ARG 70 -9.327 1.627 2.132
581 HH11 ARG 70 1HH1 ARG 70 -9.343 3.357 2.305
582 HH12 ARG 70 2HH1 ARG 70 -10.130 4.875 2.056
583 HH21 ARG 70 1HH2 ARG 70 -13.312 3.463 1.575
584 HH22 ARG 70 2HH2 ARG 70 -12.401 4.942 1.625
585 H SER 71 H SER 71 -10.788 -2.430 -0.699
586 HA SER 71 HA SER 71 -12.340 -4.186 0.972
587 HG SER 71 HG SER 71 -13.125 -1.419 -0.514
588 HB2 SER 71 2HB SER 71 -12.845 -3.100 -1.804
589 HB3 SER 71 1HB SER 71 -14.006 -4.048 -0.872
590 H ALA 72 H ALA 72 -10.242 -4.504 -1.789
591 HA ALA 72 HA ALA 72 -11.164 -7.192 -2.370
592 HB1 ALA 72 3HB ALA 72 -9.526 -7.134 -4.179
593 HB2 ALA 72 1HB ALA 72 -8.922 -5.588 -3.582
594 HB3 ALA 72 2HB ALA 72 -10.567 -5.712 -4.205
595 H VAL 73 H VAL 73 -8.845 -5.743 -0.339
596 HA VAL 73 HA VAL 73 -7.385 -8.292 -0.161
597 HB VAL 73 HB VAL 73 -6.373 -5.532 0.542
598 HG11 VAL 73 1HG1 VAL 73 -4.963 -8.201 0.595
599 HG12 VAL 73 2HG1 VAL 73 -5.423 -7.242 2.001
600 HG13 VAL 73 3HG1 VAL 73 -4.206 -6.635 0.880
601 HG21 VAL 73 3HG2 VAL 73 -6.547 -5.882 -1.868
602 HG22 VAL 73 1HG2 VAL 73 -5.613 -7.371 -1.725
603 HG23 VAL 73 2HG2 VAL 73 -4.861 -5.820 -1.352
604 H ALA 74 H ALA 74 -8.020 -5.463 1.929
605 HA ALA 74 HA ALA 74 -7.411 -6.991 4.257
606 HB1 ALA 74 3HB ALA 74 -8.621 -4.240 4.041
607 HB2 ALA 74 1HB ALA 74 -6.897 -4.609 4.082
608 HB3 ALA 74 2HB ALA 74 -7.906 -4.956 5.486
609 H ALA 75 H ALA 75 -10.395 -5.926 2.734
610 HA ALA 75 HA ALA 75 -11.900 -7.200 4.932
611 HB1 ALA 75 3HB ALA 75 -12.193 -4.773 4.873
612 HB2 ALA 75 1HB ALA 75 -13.699 -5.615 4.503
613 HB3 ALA 75 2HB ALA 75 -12.758 -4.880 3.204
614 H HIS 76 H HIS 76 -10.897 -8.290 2.282
615 HA HIS 76 HA HIS 76 -13.352 -8.722 0.800
616 HD1 HIS 76 HD1 HIS 76 -10.968 -11.407 -1.924
617 HD2 HIS 76 HD2 HIS 76 -13.853 -8.437 -1.515
618 HE1 HIS 76 HE1 HIS 76 -12.431 -11.592 -3.961
619 HE2 HIS 76 HE2 HIS 76 -14.301 -9.945 -3.571
620 HB2 HIS 76 2HB HIS 76 -10.938 -8.509 -0.165
621 HB3 HIS 76 1HB HIS 76 -10.799 -10.212 0.262
622 H GLY 77 H GLY 77 -11.904 -10.065 3.481
623 HA2 GLY 77 2HA GLY 77 -12.882 -12.767 3.023
624 HA3 GLY 77 1HA GLY 77 -12.014 -12.196 4.442
625 H GLU 78 H GLU 78 -14.979 -11.048 2.860
626 HA GLU 78 HA GLU 78 -16.231 -10.799 5.462
627 HB2 GLU 78 2HB GLU 78 -18.083 -9.728 4.183
628 HB3 GLU 78 1HB GLU 78 -16.524 -8.945 3.977
629 HG2 GLU 78 2HG GLU 78 -16.255 -9.888 1.807
630 HG3 GLU 78 1HG GLU 78 -17.670 -10.918 2.021
631 H LYS 79 H LYS 79 -15.714 -13.401 3.909
632 HA LYS 79 HA LYS 79 -18.197 -14.636 3.421
633 HB2 LYS 79 2HB LYS 79 -15.599 -15.854 4.391
634 HB3 LYS 79 1HB LYS 79 -16.970 -16.763 3.774
635 HG2 LYS 79 2HG LYS 79 -15.429 -14.729 2.178
636 HG3 LYS 79 1HG LYS 79 -15.132 -16.467 2.140
637 HD2 LYS 79 2HD LYS 79 -17.722 -15.104 1.396
638 HD3 LYS 79 1HD LYS 79 -16.534 -15.747 0.262
639 HE2 LYS 79 2HE LYS 79 -18.109 -17.328 2.291
640 HE3 LYS 79 1HE LYS 79 -18.390 -17.300 0.552
641 HZ1 LYS 79 3HZ LYS 79 -17.166 -19.263 1.176
642 HZ2 LYS 79 1HZ LYS 79 -15.958 -18.331 1.917
643 HZ3 LYS 79 2HZ LYS 79 -16.171 -18.254 0.239
644 H ALA 80 H ALA 80 -16.150 -14.436 6.284
645 HA ALA 80 HA ALA 80 -18.500 -14.673 7.975
646 HB1 ALA 80 3HB ALA 80 -16.082 -16.439 8.380
647 HB2 ALA 80 1HB ALA 80 -17.637 -16.981 7.748
648 HB3 ALA 80 2HB ALA 80 -17.520 -16.374 9.399
649 H LEU 81 H LEU 81 -18.382 -13.269 9.625
650 HA LEU 81 HA LEU 81 -16.069 -11.576 9.817
651 HG LEU 81 HG LEU 81 -17.250 -9.366 9.730
652 HB2 LEU 81 2HB LEU 81 -18.768 -11.606 11.099
653 HB3 LEU 81 1HB LEU 81 -17.492 -10.658 11.833
654 HD11 LEU 81 1HD1 LEU 81 -18.033 -11.075 8.154
655 HD12 LEU 81 2HD1 LEU 81 -18.932 -9.566 7.979
656 HD13 LEU 81 3HD1 LEU 81 -19.662 -10.936 8.817
657 HD21 LEU 81 3HD2 LEU 81 -18.691 -8.545 11.508
658 HD22 LEU 81 1HD2 LEU 81 -20.048 -9.455 10.845
659 HD23 LEU 81 2HD2 LEU 81 -19.345 -8.127 9.924
660 H LYS 82 H LYS 82 -14.524 -13.091 10.433
661 HA LYS 82 HA LYS 82 -14.416 -14.558 12.785
662 HB2 LYS 82 2HB LYS 82 -12.719 -14.566 10.949
663 HB3 LYS 82 1HB LYS 82 -12.165 -12.991 11.494
664 HG2 LYS 82 2HG LYS 82 -11.561 -14.007 13.667
665 HG3 LYS 82 1HG LYS 82 -12.012 -15.584 13.013
666 HD2 LYS 82 2HD LYS 82 -10.340 -15.289 11.225
667 HD3 LYS 82 1HD LYS 82 -9.865 -13.752 11.947
668 HE2 LYS 82 2HE LYS 82 -8.297 -15.391 12.665
669 HE3 LYS 82 1HE LYS 82 -9.324 -15.006 14.046
670 HZ1 LYS 82 3HZ LYS 82 -9.021 -17.358 13.921
671 HZ2 LYS 82 1HZ LYS 82 -9.513 -17.403 12.299
672 HZ3 LYS 82 2HZ LYS 82 -10.631 -17.022 13.516
673 H VAL 83 H VAL 83 -13.540 -14.031 14.884
674 HA VAL 83 HA VAL 83 -14.486 -11.700 16.041
675 HB VAL 83 HB VAL 83 -13.891 -13.679 17.347
676 HG11 VAL 83 1HG1 VAL 83 -11.545 -14.135 17.934
677 HG12 VAL 83 2HG1 VAL 83 -11.038 -12.921 16.759
678 HG13 VAL 83 3HG1 VAL 83 -11.879 -14.375 16.219
679 HG21 VAL 83 3HG2 VAL 83 -12.863 -12.571 19.262
680 HG22 VAL 83 1HG2 VAL 83 -14.070 -11.535 18.500
681 HG23 VAL 83 2HG2 VAL 83 -12.354 -11.239 18.225
682 H THR 84 H THR 84 -11.417 -12.278 14.475
683 HA THR 84 HA THR 84 -10.263 -9.770 15.321
684 HB THR 84 HB THR 84 -9.229 -11.557 13.132
685 HG1 THR 84 HG1 THR 84 -9.007 -11.884 15.967
686 HG21 THR 84 3HG2 THR 84 -8.065 -9.431 13.454
687 HG22 THR 84 1HG2 THR 84 -7.040 -10.777 13.954
688 HG23 THR 84 2HG2 THR 84 -7.856 -9.791 15.168
689 H MET 85 H MET 85 -12.415 -10.758 12.914
690 HA MET 85 HA MET 85 -11.524 -9.085 10.766
691 HB2 MET 85 2HB MET 85 -12.852 -11.159 10.400
692 HB3 MET 85 1HB MET 85 -14.227 -10.384 11.175
693 HG2 MET 85 2HG MET 85 -14.493 -10.288 8.798
694 HG3 MET 85 1HG MET 85 -14.219 -8.663 9.422
695 HE1 MET 85 3HE MET 85 -11.111 -11.171 7.123
696 HE2 MET 85 1HE MET 85 -12.797 -11.643 7.351
697 HE3 MET 85 2HE MET 85 -11.696 -11.603 8.730
698 H ILE 86 H ILE 86 -13.564 -8.683 13.546
699 HA ILE 86 HA ILE 86 -15.011 -6.423 12.625
700 HB ILE 86 HB ILE 86 -14.307 -7.185 15.471
701 HG12 ILE 86 2HG1 ILE 86 -16.892 -7.698 15.381
702 HG13 ILE 86 1HG1 ILE 86 -16.596 -7.842 13.651
703 HG21 ILE 86 1HG2 ILE 86 -16.102 -5.658 16.134
704 HG22 ILE 86 2HG2 ILE 86 -16.306 -5.176 14.448
705 HG23 ILE 86 3HG2 ILE 86 -14.801 -4.811 15.292
706 HD11 ILE 86 3HD1 ILE 86 -16.527 -9.995 14.828
707 HD12 ILE 86 1HD1 ILE 86 -15.158 -9.413 15.773
708 HD13 ILE 86 2HD1 ILE 86 -15.008 -9.609 14.027
709 H GLN 87 H GLN 87 -11.892 -6.859 14.188
710 HA GLN 87 HA GLN 87 -11.285 -4.163 14.693
711 HB2 GLN 87 2HB GLN 87 -9.989 -6.111 15.568
712 HB3 GLN 87 1HB GLN 87 -9.350 -6.370 13.950
713 HG2 GLN 87 2HG GLN 87 -8.358 -4.109 14.023
714 HG3 GLN 87 1HG GLN 87 -8.921 -3.950 15.685
715 HE21 GLN 87 1HE2 GLN 87 -6.220 -3.852 14.685
716 HE22 GLN 87 2HE2 GLN 87 -5.353 -5.133 15.472
717 H LYS 88 H LYS 88 -10.900 -6.191 11.838
718 HA LYS 88 HA LYS 88 -9.541 -4.474 10.135
719 HB2 LYS 88 2HB LYS 88 -11.796 -6.404 9.549
720 HB3 LYS 88 1HB LYS 88 -10.888 -5.574 8.298
721 HG2 LYS 88 2HG LYS 88 -9.580 -7.354 10.334
722 HG3 LYS 88 1HG LYS 88 -10.214 -7.949 8.800
723 HD2 LYS 88 2HD LYS 88 -8.770 -6.164 7.699
724 HD3 LYS 88 1HD LYS 88 -7.977 -6.000 9.266
725 HE2 LYS 88 2HE LYS 88 -6.734 -7.518 7.826
726 HE3 LYS 88 1HE LYS 88 -7.396 -8.377 9.217
727 HZ1 LYS 88 3HZ LYS 88 -7.610 -9.477 6.956
728 HZ2 LYS 88 1HZ LYS 88 -8.796 -8.316 6.607
729 HZ3 LYS 88 2HZ LYS 88 -9.017 -9.398 7.894
730 H TYR 89 H TYR 89 -13.046 -4.751 10.670
731 HA TYR 89 HA TYR 89 -13.662 -2.587 8.909
732 HD1 TYR 89 HD2 TYR 89 -14.659 -3.686 7.292
733 HD2 TYR 89 HD1 TYR 89 -16.096 -6.131 10.462
734 HE1 TYR 89 HE2 TYR 89 -14.909 -5.560 5.724
735 HE2 TYR 89 HE1 TYR 89 -16.350 -8.012 8.902
736 HH TYR 89 HH TYR 89 -14.975 -8.074 5.849
737 HB2 TYR 89 2HB TYR 89 -15.402 -3.992 10.945
738 HB3 TYR 89 1HB TYR 89 -15.972 -2.893 9.698
739 H ARG 90 H ARG 90 -12.598 -2.679 12.119
740 HA ARG 90 HA ARG 90 -13.903 -0.241 12.954
741 HE ARG 90 HE ARG 90 -15.177 -2.923 16.884
742 HB2 ARG 90 2HB ARG 90 -11.715 -1.915 14.183
743 HB3 ARG 90 1HB ARG 90 -12.229 -0.384 14.875
744 HG2 ARG 90 2HG ARG 90 -14.494 -1.266 15.142
745 HG3 ARG 90 1HG ARG 90 -13.969 -2.806 14.457
746 HD2 ARG 90 2HD ARG 90 -12.338 -3.040 16.288
747 HD3 ARG 90 1HD ARG 90 -12.916 -1.526 16.980
748 HH11 ARG 90 1HH1 ARG 90 -11.970 -3.823 18.003
749 HH12 ARG 90 2HH1 ARG 90 -12.567 -4.987 19.145
750 HH21 ARG 90 1HH2 ARG 90 -15.954 -4.462 18.398
751 HH22 ARG 90 2HH2 ARG 90 -14.815 -5.367 19.359
752 H GLN 91 H GLN 91 -10.794 -1.201 11.640
753 HA GLN 91 HA GLN 91 -9.817 1.547 11.857
754 HB2 GLN 91 2HB GLN 91 -8.344 -0.338 12.517
755 HB3 GLN 91 1HB GLN 91 -8.385 -0.918 10.859
756 HG2 GLN 91 2HG GLN 91 -7.217 0.979 10.069
757 HG3 GLN 91 1HG GLN 91 -7.398 1.814 11.610
758 HE21 GLN 91 1HE2 GLN 91 -5.206 2.114 11.853
759 HE22 GLN 91 2HE2 GLN 91 -4.118 0.822 12.212
760 H LEU 92 H LEU 92 -10.714 -0.857 9.459
761 HA LEU 92 HA LEU 92 -10.119 0.829 7.205
762 HG LEU 92 HG LEU 92 -10.465 -0.369 5.005
763 HB2 LEU 92 2HB LEU 92 -10.165 -1.694 7.178
764 HB3 LEU 92 1HB LEU 92 -11.904 -1.606 7.350
765 HD11 LEU 92 1HD1 LEU 92 -11.577 -3.158 5.282
766 HD12 LEU 92 2HD1 LEU 92 -9.878 -2.718 5.082
767 HD13 LEU 92 3HD1 LEU 92 -11.026 -2.419 3.776
768 HD21 LEU 92 3HD2 LEU 92 -13.311 -1.306 5.404
769 HD22 LEU 92 1HD2 LEU 92 -12.647 -0.616 3.922
770 HD23 LEU 92 2HD2 LEU 92 -12.769 0.370 5.379
771 H HIS 93 H HIS 93 -11.359 2.453 6.505
772 HA HIS 93 HA HIS 93 -14.040 2.693 7.675
773 HD1 HIS 93 HD1 HIS 93 -10.454 4.785 8.454
774 HD2 HIS 93 HD2 HIS 93 -14.388 4.749 9.806
775 HE1 HIS 93 HE1 HIS 93 -10.322 5.131 10.942
776 HE2 HIS 93 HE2 HIS 93 -12.723 5.271 11.713
777 HB2 HIS 93 2HB HIS 93 -12.141 4.765 6.580
778 HB3 HIS 93 1HB HIS 93 -13.815 5.123 7.004
779 H HIS 94 H HIS 94 -15.664 2.195 6.487
780 HA HIS 94 HA HIS 94 -17.190 2.244 4.824
781 HD1 HIS 94 HD1 HIS 94 -16.555 2.612 1.122
782 HD2 HIS 94 HD2 HIS 94 -18.838 5.122 3.521
783 HE1 HIS 94 HE1 HIS 94 -18.640 3.084 -0.193
784 HE2 HIS 94 HE2 HIS 94 -19.971 4.677 1.237
785 HB2 HIS 94 2HB HIS 94 -16.305 4.562 4.366
786 HB3 HIS 94 1HB HIS 94 -15.258 3.841 3.147
787 H HIS 95 H HIS 95 -16.928 0.023 4.626
788 HA HIS 95 HA HIS 95 -15.412 -0.860 2.270
789 HD1 HIS 95 HD1 HIS 95 -14.639 -3.143 1.401
790 HD2 HIS 95 HD2 HIS 95 -17.371 -4.925 3.981
791 HE1 HIS 95 HE1 HIS 95 -15.090 -5.426 0.442
792 HE2 HIS 95 HE2 HIS 95 -16.872 -6.421 1.923
793 HB2 HIS 95 2HB HIS 95 -14.936 -2.227 4.187
794 HB3 HIS 95 1HB HIS 95 -16.645 -2.397 4.570
Start of MODEL 2
1 HA MET 1 HA MET 1 13.930 23.848 11.044
2 H1 MET 1 1H MET 1 16.014 24.583 11.906
3 H2 MET 1 2H MET 1 16.695 23.043 11.726
4 H3 MET 1 3H MET 1 15.463 23.293 12.865
5 HB2 MET 1 2HB MET 1 16.261 22.922 9.352
6 HB3 MET 1 1HB MET 1 14.633 23.196 8.750
7 HG2 MET 1 2HG MET 1 14.798 25.547 9.290
8 HG3 MET 1 1HG MET 1 16.393 25.295 9.996
9 HE1 MET 1 3HE MET 1 17.180 27.313 6.730
10 HE2 MET 1 1HE MET 1 17.343 27.258 8.485
11 HE3 MET 1 2HE MET 1 15.756 27.495 7.753
12 H TYR 2 H TYR 2 16.160 21.262 11.757
13 HA TYR 2 HA TYR 2 15.949 19.020 11.954
14 HD1 TYR 2 HD1 TYR 2 12.981 21.391 13.291
15 HD2 TYR 2 HD2 TYR 2 14.563 17.595 14.366
16 HE1 TYR 2 HE1 TYR 2 12.871 22.024 15.660
17 HE2 TYR 2 HE2 TYR 2 14.467 18.224 16.744
18 HH TYR 2 HH TYR 2 14.354 20.146 18.151
19 HB2 TYR 2 2HB TYR 2 12.971 19.517 11.717
20 HB3 TYR 2 1HB TYR 2 13.706 17.982 12.145
21 H LEU 3 H LEU 3 13.105 19.326 9.907
22 HA LEU 3 HA LEU 3 12.570 18.349 7.941
23 HG LEU 3 HG LEU 3 13.799 20.884 5.625
24 HB2 LEU 3 2HB LEU 3 15.106 19.793 7.423
25 HB3 LEU 3 1HB LEU 3 14.565 18.680 6.183
26 HD11 LEU 3 1HD1 LEU 3 11.524 19.224 6.693
27 HD12 LEU 3 2HD1 LEU 3 12.272 19.069 5.103
28 HD13 LEU 3 3HD1 LEU 3 11.381 20.534 5.520
29 HD21 LEU 3 3HD2 LEU 3 12.487 20.935 8.335
30 HD22 LEU 3 1HD2 LEU 3 12.316 22.164 7.084
31 HD23 LEU 3 2HD2 LEU 3 13.885 21.888 7.841
32 H LYS 4 H LYS 4 12.918 16.305 9.330
33 HA LYS 4 HA LYS 4 14.311 14.471 7.516
34 HB2 LYS 4 2HB LYS 4 14.491 14.486 10.522
35 HB3 LYS 4 1HB LYS 4 14.650 12.982 9.629
36 HG2 LYS 4 2HG LYS 4 16.835 13.528 9.736
37 HG3 LYS 4 1HG LYS 4 16.423 14.442 8.285
38 HD2 LYS 4 2HD LYS 4 15.944 16.393 9.851
39 HD3 LYS 4 1HD LYS 4 16.769 15.446 11.094
40 HE2 LYS 4 2HE LYS 4 18.359 16.943 10.103
41 HE3 LYS 4 1HE LYS 4 18.743 15.301 9.580
42 HZ1 LYS 4 3HZ LYS 4 18.836 16.951 7.767
43 HZ2 LYS 4 1HZ LYS 4 17.184 17.257 7.981
44 HZ3 LYS 4 2HZ LYS 4 17.698 15.727 7.473
45 H ARG 5 H ARG 5 11.650 15.322 7.489
46 HA ARG 5 HA ARG 5 10.029 13.526 9.027
47 HE ARG 5 HE ARG 5 5.159 14.237 8.119
48 HB2 ARG 5 2HB ARG 5 9.260 15.806 8.575
49 HB3 ARG 5 1HB ARG 5 9.248 15.468 6.847
50 HG2 ARG 5 2HG ARG 5 7.532 13.745 7.220
51 HG3 ARG 5 1HG ARG 5 7.523 14.148 8.937
52 HD2 ARG 5 2HD ARG 5 6.779 16.400 8.430
53 HD3 ARG 5 1HD ARG 5 6.866 16.062 6.700
54 HH11 ARG 5 1HH1 ARG 5 5.266 17.429 6.663
55 HH12 ARG 5 2HH1 ARG 5 3.575 17.422 6.256
56 HH21 ARG 5 1HH2 ARG 5 2.958 14.250 7.618
57 HH22 ARG 5 2HH2 ARG 5 2.261 15.629 6.809
58 H VAL 6 H VAL 6 10.321 11.462 8.422
59 HA VAL 6 HA VAL 6 9.713 10.671 5.676
60 HB VAL 6 HB VAL 6 10.184 8.933 8.118
61 HG11 VAL 6 1HG1 VAL 6 10.167 8.246 5.182
62 HG12 VAL 6 2HG1 VAL 6 8.949 7.780 6.370
63 HG13 VAL 6 3HG1 VAL 6 10.589 7.144 6.492
64 HG21 VAL 6 3HG2 VAL 6 12.159 10.263 7.633
65 HG22 VAL 6 1HG2 VAL 6 12.108 9.751 5.945
66 HG23 VAL 6 2HG2 VAL 6 12.432 8.571 7.214
67 H ASP 7 H ASP 7 8.349 11.105 8.767
68 HA ASP 7 HA ASP 7 6.255 11.162 9.587
69 HB2 ASP 7 2HB ASP 7 5.821 12.226 7.275
70 HB3 ASP 7 1HB ASP 7 5.113 10.671 6.844
71 H GLY 8 H GLY 8 6.712 9.219 10.676
72 HA2 GLY 8 2HA GLY 8 5.243 7.371 11.335
73 HA3 GLY 8 1HA GLY 8 5.123 6.962 9.630
74 HA PRO 9 HA PRO 9 8.553 4.468 11.643
75 HB2 PRO 9 2HB PRO 9 7.014 2.128 10.817
76 HB3 PRO 9 1HB PRO 9 7.609 2.556 12.422
77 HG2 PRO 9 2HG PRO 9 4.980 2.587 11.778
78 HG3 PRO 9 1HG PRO 9 5.687 3.685 12.977
79 HD2 PRO 9 2HD PRO 9 4.959 4.207 10.118
80 HD3 PRO 9 1HD PRO 9 4.737 5.244 11.545
81 H ARG 10 H ARG 10 9.854 2.747 10.538
82 HA ARG 10 HA ARG 10 9.798 3.207 7.645
83 HE ARG 10 HE ARG 10 13.602 6.282 9.176
84 HB2 ARG 10 2HB ARG 10 11.978 2.181 9.460
85 HB3 ARG 10 1HB ARG 10 12.113 2.240 7.706
86 HG2 ARG 10 2HG ARG 10 11.731 4.681 7.799
87 HG3 ARG 10 1HG ARG 10 11.739 4.577 9.561
88 HD2 ARG 10 2HD ARG 10 14.019 3.800 9.551
89 HD3 ARG 10 1HD ARG 10 14.021 3.716 7.787
90 HH11 ARG 10 1HH1 ARG 10 15.463 4.256 6.993
91 HH12 ARG 10 2HH1 ARG 10 16.362 5.588 6.332
92 HH21 ARG 10 1HH2 ARG 10 14.812 8.024 8.319
93 HH22 ARG 10 2HH2 ARG 10 15.992 7.732 7.077
94 H GLN 11 H GLN 11 9.168 0.790 9.988
95 HA GLN 11 HA GLN 11 8.508 -1.072 7.863
96 HB2 GLN 11 2HB GLN 11 9.713 -2.936 8.797
97 HB3 GLN 11 1HB GLN 11 10.847 -1.628 8.489
98 HG2 GLN 11 2HG GLN 11 10.834 -1.044 10.853
99 HG3 GLN 11 1HG GLN 11 9.665 -2.327 11.170
100 HE21 GLN 11 1HE2 GLN 11 10.994 -3.435 12.565
101 HE22 GLN 11 2HE2 GLN 11 12.407 -4.291 12.044
102 H VAL 12 H VAL 12 6.867 -2.476 8.370
103 HA VAL 12 HA VAL 12 5.872 -2.449 11.139
104 HB VAL 12 HB VAL 12 3.537 -2.530 10.240
105 HG11 VAL 12 1HG1 VAL 12 4.461 -0.470 11.165
106 HG12 VAL 12 2HG1 VAL 12 3.355 -0.131 9.835
107 HG13 VAL 12 3HG1 VAL 12 5.096 -0.034 9.579
108 HG21 VAL 12 3HG2 VAL 12 3.134 -1.703 7.962
109 HG22 VAL 12 1HG2 VAL 12 4.011 -3.233 7.966
110 HG23 VAL 12 2HG2 VAL 12 4.872 -1.724 7.657
111 H THR 13 H THR 13 4.495 -4.298 11.658
112 HA THR 13 HA THR 13 5.494 -6.718 10.393
113 HB THR 13 HB THR 13 3.690 -6.544 12.811
114 HG1 THR 13 HG1 THR 13 6.533 -6.331 12.624
115 HG21 THR 13 3HG2 THR 13 3.942 -8.771 11.835
116 HG22 THR 13 1HG2 THR 13 4.768 -8.683 13.391
117 HG23 THR 13 2HG2 THR 13 5.697 -8.610 11.894
118 H LEU 14 H LEU 14 4.196 -8.265 9.433
119 HA LEU 14 HA LEU 14 1.493 -7.386 8.695
120 HG LEU 14 HG LEU 14 3.018 -8.200 5.390
121 HB2 LEU 14 2HB LEU 14 3.343 -9.452 7.504
122 HB3 LEU 14 1HB LEU 14 1.669 -9.289 7.023
123 HD11 LEU 14 1HD1 LEU 14 1.746 -6.144 7.182
124 HD12 LEU 14 2HD1 LEU 14 0.941 -7.073 5.915
125 HD13 LEU 14 3HD1 LEU 14 2.193 -5.905 5.493
126 HD21 LEU 14 3HD2 LEU 14 5.025 -7.880 6.707
127 HD22 LEU 14 1HD2 LEU 14 4.219 -6.630 7.654
128 HD23 LEU 14 2HD2 LEU 14 4.533 -6.372 5.941
129 HA PRO 15 HA PRO 15 -0.380 -10.766 10.986
130 HB2 PRO 15 2HB PRO 15 -2.246 -11.156 8.751
131 HB3 PRO 15 1HB PRO 15 -2.583 -10.645 10.407
132 HG2 PRO 15 2HG PRO 15 -2.791 -8.956 8.320
133 HG3 PRO 15 1HG PRO 15 -2.269 -8.415 9.926
134 HD2 PRO 15 2HD PRO 15 -0.623 -8.998 7.490
135 HD3 PRO 15 1HD PRO 15 -0.467 -7.675 8.668
136 H ASP 16 H ASP 16 0.752 -10.906 7.767
137 HA ASP 16 HA ASP 16 0.589 -13.744 7.398
138 HB2 ASP 16 2HB ASP 16 2.375 -11.799 5.920
139 HB3 ASP 16 1HB ASP 16 1.781 -13.356 5.353
140 H GLY 17 H GLY 17 2.536 -11.729 9.243
141 HA2 GLY 17 2HA GLY 17 4.239 -12.442 10.693
142 HA3 GLY 17 1HA GLY 17 4.466 -13.868 9.694
143 H THR 18 H THR 18 4.282 -11.341 7.637
144 HA THR 18 HA THR 18 7.129 -11.384 7.151
145 HB THR 18 HB THR 18 5.454 -9.587 5.531
146 HG1 THR 18 HG1 THR 18 4.976 -12.374 5.244
147 HG21 THR 18 3HG2 THR 18 7.200 -11.956 4.851
148 HG22 THR 18 1HG2 THR 18 7.714 -10.269 4.872
149 HG23 THR 18 2HG2 THR 18 6.518 -10.810 3.696
150 H VAL 19 H VAL 19 8.151 -9.230 6.488
151 HA VAL 19 HA VAL 19 7.301 -7.052 8.285
152 HB VAL 19 HB VAL 19 10.090 -7.689 7.290
153 HG11 VAL 19 1HG1 VAL 19 10.830 -5.811 8.674
154 HG12 VAL 19 2HG1 VAL 19 9.152 -5.437 9.070
155 HG13 VAL 19 3HG1 VAL 19 9.725 -5.271 7.410
156 HG21 VAL 19 3HG2 VAL 19 9.338 -9.164 9.078
157 HG22 VAL 19 1HG2 VAL 19 8.907 -7.766 10.063
158 HG23 VAL 19 2HG2 VAL 19 10.596 -8.070 9.654
159 H LEU 20 H LEU 20 6.616 -5.278 7.308
160 HA LEU 20 HA LEU 20 7.283 -4.897 4.463
161 HG LEU 20 HG LEU 20 5.314 -2.270 4.561
162 HB2 LEU 20 2HB LEU 20 4.952 -5.259 4.671
163 HB3 LEU 20 1HB LEU 20 4.828 -4.202 6.060
164 HD11 LEU 20 1HD1 LEU 20 5.113 -2.578 2.156
165 HD12 LEU 20 2HD1 LEU 20 4.999 -4.323 2.379
166 HD13 LEU 20 3HD1 LEU 20 6.490 -3.475 2.792
167 HD21 LEU 20 3HD2 LEU 20 3.036 -2.866 5.183
168 HD22 LEU 20 1HD2 LEU 20 2.945 -3.965 3.808
169 HD23 LEU 20 2HD2 LEU 20 3.106 -2.230 3.540
170 H SER 21 H SER 21 8.951 -3.513 4.412
171 HA SER 21 HA SER 21 8.863 -1.149 6.131
172 HG SER 21 HG SER 21 10.906 -2.938 3.675
173 HB2 SER 21 2HB SER 21 11.148 -0.762 5.486
174 HB3 SER 21 1HB SER 21 10.997 -2.471 5.872
175 H ARG 22 H ARG 22 9.506 0.955 4.974
176 HA ARG 22 HA ARG 22 7.598 1.444 2.924
177 HE ARG 22 HE ARG 22 7.170 5.611 3.837
178 HB2 ARG 22 2HB ARG 22 9.897 3.192 3.818
179 HB3 ARG 22 1HB ARG 22 8.492 3.720 2.899
180 HG2 ARG 22 2HG ARG 22 7.053 3.100 4.795
181 HG3 ARG 22 1HG ARG 22 8.487 2.639 5.711
182 HD2 ARG 22 2HD ARG 22 8.145 4.765 6.490
183 HD3 ARG 22 1HD ARG 22 9.253 5.076 5.157
184 HH11 ARG 22 1HH1 ARG 22 7.280 5.915 7.309
185 HH12 ARG 22 2HH1 ARG 22 6.104 7.190 7.375
186 HH21 ARG 22 1HH2 ARG 22 5.575 7.302 3.908
187 HH22 ARG 22 2HH2 ARG 22 5.155 7.982 5.449
188 H ALA 23 H ALA 23 10.759 0.231 2.902
189 HA ALA 23 HA ALA 23 11.332 0.949 0.155
190 HB1 ALA 23 3HB ALA 23 13.362 -0.370 0.449
191 HB2 ALA 23 1HB ALA 23 12.778 -0.937 2.014
192 HB3 ALA 23 2HB ALA 23 13.157 0.768 1.780
193 H ASP 24 H ASP 24 9.676 -1.509 1.855
194 HA ASP 24 HA ASP 24 9.923 -3.534 -0.190
195 HB2 ASP 24 2HB ASP 24 8.273 -3.316 2.318
196 HB3 ASP 24 1HB ASP 24 8.009 -4.612 1.159
197 H LEU 25 H LEU 25 8.107 -0.751 0.244
198 HA LEU 25 HA LEU 25 5.670 -1.396 -0.970
199 HG LEU 25 HG LEU 25 6.200 0.453 1.288
200 HB2 LEU 25 2HB LEU 25 7.249 1.162 -0.843
201 HB3 LEU 25 1HB LEU 25 5.683 1.071 -1.625
202 HD11 LEU 25 1HD1 LEU 25 5.003 2.541 1.714
203 HD12 LEU 25 2HD1 LEU 25 4.920 2.849 -0.019
204 HD13 LEU 25 3HD1 LEU 25 6.484 2.823 0.796
205 HD21 LEU 25 3HD2 LEU 25 3.626 0.669 -0.268
206 HD22 LEU 25 1HD2 LEU 25 3.764 0.438 1.475
207 HD23 LEU 25 2HD2 LEU 25 4.328 -0.816 0.372
208 HA PRO 26 HA PRO 26 6.688 -2.362 -5.145
209 HB2 PRO 26 2HB PRO 26 4.386 -1.392 -6.329
210 HB3 PRO 26 1HB PRO 26 4.522 -2.967 -5.542
211 HG2 PRO 26 2HG PRO 26 3.447 -0.394 -4.459
212 HG3 PRO 26 1HG PRO 26 2.810 -2.042 -4.281
213 HD2 PRO 26 2HD PRO 26 4.172 -0.874 -2.305
214 HD3 PRO 26 1HD PRO 26 4.387 -2.603 -2.664
215 HA PRO 27 HA PRO 27 8.399 1.194 -7.151
216 HB2 PRO 27 2HB PRO 27 7.928 0.529 -9.784
217 HB3 PRO 27 1HB PRO 27 9.263 -0.103 -8.813
218 HG2 PRO 27 2HG PRO 27 6.598 -1.339 -9.410
219 HG3 PRO 27 1HG PRO 27 8.207 -2.092 -9.411
220 HD2 PRO 27 2HD PRO 27 6.540 -2.428 -7.358
221 HD3 PRO 27 1HD PRO 27 8.282 -2.205 -7.084
222 H LEU 28 H LEU 28 7.771 3.159 -7.804
223 HA LEU 28 HA LEU 28 5.070 3.899 -7.635
224 HG LEU 28 HG LEU 28 7.904 4.851 -6.546
225 HB2 LEU 28 2HB LEU 28 7.345 5.450 -8.869
226 HB3 LEU 28 1HB LEU 28 5.817 6.115 -8.325
227 HD11 LEU 28 1HD1 LEU 28 8.637 6.994 -7.418
228 HD12 LEU 28 2HD1 LEU 28 8.227 7.130 -5.706
229 HD13 LEU 28 3HD1 LEU 28 7.110 7.733 -6.929
230 HD21 LEU 28 3HD2 LEU 28 5.668 4.505 -5.678
231 HD22 LEU 28 1HD2 LEU 28 5.297 6.216 -5.891
232 HD23 LEU 28 2HD2 LEU 28 6.514 5.719 -4.716
233 H ASP 29 H ASP 29 7.021 2.968 -10.354
234 HA ASP 29 HA ASP 29 5.245 4.150 -12.307
235 HB2 ASP 29 2HB ASP 29 7.719 4.048 -12.636
236 HB3 ASP 29 1HB ASP 29 7.600 2.297 -12.743
237 H THR 30 H THR 30 4.620 1.745 -10.394
238 HA THR 30 HA THR 30 3.838 -0.293 -12.274
239 HB THR 30 HB THR 30 3.007 0.054 -9.387
240 HG1 THR 30 HG1 THR 30 5.138 -0.336 -9.310
241 HG21 THR 30 3HG2 THR 30 1.474 -1.383 -10.630
242 HG22 THR 30 1HG2 THR 30 2.438 -2.333 -9.501
243 HG23 THR 30 2HG2 THR 30 2.834 -2.339 -11.219
244 H ARG 31 H ARG 31 2.266 0.017 -13.630
245 HA ARG 31 HA ARG 31 -0.130 1.475 -12.735
246 HE ARG 31 HE ARG 31 -2.255 2.775 -12.886
247 HB2 ARG 31 2HB ARG 31 1.218 2.272 -14.786
248 HB3 ARG 31 1HB ARG 31 0.588 0.846 -15.596
249 HG2 ARG 31 2HG ARG 31 -0.838 2.581 -16.222
250 HG3 ARG 31 1HG ARG 31 -1.716 1.697 -14.975
251 HD2 ARG 31 2HD ARG 31 -0.046 4.100 -14.313
252 HD3 ARG 31 1HD ARG 31 -1.711 4.264 -14.864
253 HH11 ARG 31 1HH1 ARG 31 0.563 4.862 -12.905
254 HH12 ARG 31 2HH1 ARG 31 0.507 5.163 -11.192
255 HH21 ARG 31 1HH2 ARG 31 -2.362 3.196 -10.642
256 HH22 ARG 31 2HH2 ARG 31 -1.159 4.226 -9.907
257 H ARG 32 H ARG 32 1.052 -1.349 -14.539
258 HA ARG 32 HA ARG 32 -1.534 -2.630 -14.409
259 HE ARG 32 HE ARG 32 3.855 -3.384 -16.755
260 HB2 ARG 32 2HB ARG 32 -0.229 -4.650 -15.277
261 HB3 ARG 32 1HB ARG 32 -0.335 -3.252 -16.332
262 HG2 ARG 32 2HG ARG 32 1.922 -2.592 -15.725
263 HG3 ARG 32 1HG ARG 32 2.030 -3.952 -14.606
264 HD2 ARG 32 2HD ARG 32 1.988 -5.529 -16.345
265 HD3 ARG 32 1HD ARG 32 1.427 -4.341 -17.518
266 HH11 ARG 32 1HH1 ARG 32 2.774 -6.519 -17.908
267 HH12 ARG 32 2HH1 ARG 32 4.241 -6.832 -18.797
268 HH21 ARG 32 1HH2 ARG 32 5.781 -3.808 -17.927
269 HH22 ARG 32 2HH2 ARG 32 5.934 -5.296 -18.813
270 H TRP 33 H TRP 33 -1.713 -2.331 -12.135
271 HA TRP 33 HA TRP 33 0.013 -3.512 -10.243
272 HD1 TRP 33 HD1 TRP 33 -2.076 -0.197 -11.023
273 HE1 TRP 33 HE1 TRP 33 -0.807 1.727 -9.877
274 HE3 TRP 33 HE3 TRP 33 -0.201 -2.732 -7.008
275 HZ2 TRP 33 HZ2 TRP 33 0.769 2.119 -7.576
276 HZ3 TRP 33 HZ3 TRP 33 1.174 -1.512 -5.379
277 HH2 TRP 33 HH2 TRP 33 1.651 0.865 -5.659
278 HB2 TRP 33 2HB TRP 33 -2.854 -2.605 -10.088
279 HB3 TRP 33 1HB TRP 33 -1.988 -3.245 -8.698
280 H VAL 34 H VAL 34 0.122 -5.469 -9.369
281 HA VAL 34 HA VAL 34 -1.929 -7.446 -10.058
282 HB VAL 34 HB VAL 34 -0.323 -9.164 -9.331
283 HG11 VAL 34 1HG1 VAL 34 1.286 -8.920 -11.160
284 HG12 VAL 34 2HG1 VAL 34 0.819 -7.229 -11.340
285 HG13 VAL 34 3HG1 VAL 34 -0.350 -8.506 -11.668
286 HG21 VAL 34 3HG2 VAL 34 1.573 -6.855 -8.908
287 HG22 VAL 34 1HG2 VAL 34 2.006 -8.563 -8.848
288 HG23 VAL 34 2HG2 VAL 34 0.896 -7.893 -7.653
289 H ALA 35 H ALA 35 -2.277 -9.084 -8.211
290 HA ALA 35 HA ALA 35 -3.615 -7.730 -6.172
291 HB1 ALA 35 3HB ALA 35 -2.703 -10.605 -6.194
292 HB2 ALA 35 1HB ALA 35 -4.199 -9.986 -6.891
293 HB3 ALA 35 2HB ALA 35 -3.946 -9.921 -5.147
294 H SER 36 H SER 36 -0.481 -9.410 -6.052
295 HA SER 36 HA SER 36 -0.054 -9.131 -3.296
296 HG SER 36 HG SER 36 0.840 -11.359 -3.943
297 HB2 SER 36 2HB SER 36 2.021 -9.285 -5.496
298 HB3 SER 36 1HB SER 36 2.296 -9.619 -3.786
299 H ARG 37 H ARG 37 0.744 -6.937 -5.961
300 HA ARG 37 HA ARG 37 2.320 -5.191 -4.344
301 HE ARG 37 HE ARG 37 4.415 -6.582 -8.795
302 HB2 ARG 37 2HB ARG 37 1.018 -4.707 -7.030
303 HB3 ARG 37 1HB ARG 37 2.162 -3.618 -6.260
304 HG2 ARG 37 2HG ARG 37 3.840 -5.447 -6.298
305 HG3 ARG 37 1HG ARG 37 2.689 -6.423 -7.212
306 HD2 ARG 37 2HD ARG 37 2.635 -4.573 -8.915
307 HD3 ARG 37 1HD ARG 37 3.977 -3.828 -8.044
308 HH11 ARG 37 1HH1 ARG 37 4.821 -3.220 -9.740
309 HH12 ARG 37 2HH1 ARG 37 6.063 -3.576 -10.905
310 HH21 ARG 37 1HH2 ARG 37 6.007 -7.041 -10.352
311 HH22 ARG 37 2HH2 ARG 37 6.712 -5.740 -11.274
312 H LYS 38 H LYS 38 -1.049 -5.218 -5.400
313 HA LYS 38 HA LYS 38 -1.795 -2.727 -4.317
314 HB2 LYS 38 2HB LYS 38 -3.430 -5.230 -4.773
315 HB3 LYS 38 1HB LYS 38 -4.116 -3.695 -4.266
316 HG2 LYS 38 2HG LYS 38 -3.069 -2.711 -6.359
317 HG3 LYS 38 1HG LYS 38 -2.812 -4.380 -6.875
318 HD2 LYS 38 2HD LYS 38 -5.205 -4.818 -6.692
319 HD3 LYS 38 1HD LYS 38 -5.474 -3.169 -6.126
320 HE2 LYS 38 2HE LYS 38 -4.448 -2.392 -8.294
321 HE3 LYS 38 1HE LYS 38 -4.534 -4.065 -8.837
322 HZ1 LYS 38 3HZ LYS 38 -6.440 -2.931 -9.633
323 HZ2 LYS 38 1HZ LYS 38 -6.805 -2.304 -8.101
324 HZ3 LYS 38 2HZ LYS 38 -6.966 -3.964 -8.392
325 H ALA 39 H ALA 39 -1.844 -5.988 -2.958
326 HA ALA 39 HA ALA 39 -2.964 -5.407 -0.480
327 HB1 ALA 39 3HB ALA 39 -2.634 -7.683 -1.322
328 HB2 ALA 39 1HB ALA 39 -1.957 -7.480 0.293
329 HB3 ALA 39 2HB ALA 39 -0.892 -7.503 -1.112
330 H ALA 40 H ALA 40 0.430 -5.336 -1.503
331 HA ALA 40 HA ALA 40 1.604 -4.851 0.980
332 HB1 ALA 40 3HB ALA 40 2.532 -3.862 -1.713
333 HB2 ALA 40 1HB ALA 40 2.873 -5.452 -1.029
334 HB3 ALA 40 2HB ALA 40 3.519 -4.003 -0.259
335 H VAL 41 H VAL 41 0.266 -2.581 -1.385
336 HA VAL 41 HA VAL 41 1.128 -0.236 -0.029
337 HB VAL 41 HB VAL 41 -1.123 -0.558 -2.013
338 HG11 VAL 41 1HG1 VAL 41 -1.347 1.505 -0.752
339 HG12 VAL 41 2HG1 VAL 41 -0.837 1.849 -2.406
340 HG13 VAL 41 3HG1 VAL 41 0.332 1.914 -1.091
341 HG21 VAL 41 3HG2 VAL 41 1.746 0.260 -2.425
342 HG22 VAL 41 1HG2 VAL 41 0.493 0.216 -3.665
343 HG23 VAL 41 2HG2 VAL 41 1.030 -1.279 -2.901
344 H VAL 42 H VAL 42 -2.035 -1.873 -0.187
345 HA VAL 42 HA VAL 42 -3.328 -0.002 1.497
346 HB VAL 42 HB VAL 42 -4.543 -1.496 -0.054
347 HG11 VAL 42 1HG1 VAL 42 -3.316 -3.562 0.305
348 HG12 VAL 42 2HG1 VAL 42 -5.041 -3.801 0.577
349 HG13 VAL 42 3HG1 VAL 42 -3.943 -3.662 1.950
350 HG21 VAL 42 3HG2 VAL 42 -5.400 -1.711 2.824
351 HG22 VAL 42 1HG2 VAL 42 -6.442 -1.970 1.424
352 HG23 VAL 42 2HG2 VAL 42 -5.747 -0.376 1.725
353 H LYS 43 H LYS 43 -1.638 -3.052 2.169
354 HA LYS 43 HA LYS 43 -2.315 -3.217 4.907
355 HB2 LYS 43 2HB LYS 43 0.084 -4.234 3.391
356 HB3 LYS 43 1HB LYS 43 -0.157 -4.543 5.101
357 HG2 LYS 43 2HG LYS 43 -2.234 -5.726 4.596
358 HG3 LYS 43 1HG LYS 43 -1.990 -5.414 2.875
359 HD2 LYS 43 2HD LYS 43 0.142 -6.645 2.980
360 HD3 LYS 43 1HD LYS 43 -0.160 -6.994 4.679
361 HE2 LYS 43 2HE LYS 43 -2.175 -8.235 4.065
362 HE3 LYS 43 1HE LYS 43 -1.885 -7.869 2.364
363 HZ1 LYS 43 3HZ LYS 43 -1.056 -10.042 2.755
364 HZ2 LYS 43 1HZ LYS 43 -0.222 -9.568 4.156
365 HZ3 LYS 43 2HZ LYS 43 0.299 -9.036 2.631
366 H ALA 44 H ALA 44 0.270 -1.546 3.187
367 HA ALA 44 HA ALA 44 1.819 -0.754 5.371
368 HB1 ALA 44 3HB ALA 44 2.544 -0.532 3.040
369 HB2 ALA 44 1HB ALA 44 2.698 0.990 3.916
370 HB3 ALA 44 2HB ALA 44 1.359 0.748 2.796
371 H VAL 45 H VAL 45 -0.921 0.865 3.812
372 HA VAL 45 HA VAL 45 -0.908 3.150 5.488
373 HB VAL 45 HB VAL 45 -3.202 1.966 3.916
374 HG11 VAL 45 1HG1 VAL 45 -4.147 4.231 3.997
375 HG12 VAL 45 2HG1 VAL 45 -2.825 4.736 5.052
376 HG13 VAL 45 3HG1 VAL 45 -3.983 3.526 5.604
377 HG21 VAL 45 3HG2 VAL 45 -1.298 2.459 2.486
378 HG22 VAL 45 1HG2 VAL 45 -1.189 4.086 3.156
379 HG23 VAL 45 2HG2 VAL 45 -2.594 3.619 2.198
380 H ILE 46 H ILE 46 -2.810 0.155 5.548
381 HA ILE 46 HA ILE 46 -4.461 0.888 7.712
382 HB ILE 46 HB ILE 46 -3.760 -1.813 6.570
383 HG12 ILE 46 2HG1 ILE 46 -6.201 -0.043 6.308
384 HG13 ILE 46 1HG1 ILE 46 -4.971 -0.291 5.075
385 HG21 ILE 46 1HG2 ILE 46 -5.718 -2.679 7.778
386 HG22 ILE 46 2HG2 ILE 46 -5.866 -1.134 8.616
387 HG23 ILE 46 3HG2 ILE 46 -4.437 -2.142 8.866
388 HD11 ILE 46 3HD1 ILE 46 -6.824 -2.398 6.159
389 HD12 ILE 46 1HD1 ILE 46 -5.603 -2.638 4.910
390 HD13 ILE 46 2HD1 ILE 46 -6.980 -1.573 4.606
391 H HIS 47 H HIS 47 -1.286 -0.622 7.615
392 HA HIS 47 HA HIS 47 -1.382 -1.283 10.435
393 HD1 HIS 47 HD1 HIS 47 -1.464 -3.495 10.654
394 HD2 HIS 47 HD2 HIS 47 0.796 -3.882 7.192
395 HE1 HIS 47 HE1 HIS 47 -1.958 -5.795 9.779
396 HE2 HIS 47 HE2 HIS 47 -0.454 -6.064 7.783
397 HB2 HIS 47 2HB HIS 47 0.835 -1.469 8.399
398 HB3 HIS 47 1HB HIS 47 1.052 -1.870 10.100
399 H GLY 48 H GLY 48 -0.568 1.448 8.559
400 HA2 GLY 48 2HA GLY 48 -0.268 3.569 9.568
401 HA3 GLY 48 1HA GLY 48 0.352 2.773 11.003
402 H LEU 49 H LEU 49 1.598 1.622 8.041
403 HA LEU 49 HA LEU 49 4.245 2.519 8.659
404 HG LEU 49 HG LEU 49 5.284 2.323 5.708
405 HB2 LEU 49 2HB LEU 49 3.865 0.384 7.537
406 HB3 LEU 49 1HB LEU 49 3.102 1.202 6.188
407 HD11 LEU 49 1HD1 LEU 49 7.306 1.442 6.708
408 HD12 LEU 49 2HD1 LEU 49 6.355 0.366 7.736
409 HD13 LEU 49 3HD1 LEU 49 6.249 2.113 7.951
410 HD21 LEU 49 3HD2 LEU 49 4.572 0.359 4.468
411 HD22 LEU 49 1HD2 LEU 49 5.282 -0.690 5.693
412 HD23 LEU 49 2HD2 LEU 49 6.319 0.343 4.710
413 H ILE 50 H ILE 50 1.982 3.167 6.010
414 HA ILE 50 HA ILE 50 3.183 5.843 5.732
415 HB ILE 50 HB ILE 50 2.701 5.829 3.346
416 HG12 ILE 50 2HG1 ILE 50 1.936 2.918 3.623
417 HG13 ILE 50 1HG1 ILE 50 0.755 4.221 3.551
418 HG21 ILE 50 1HG2 ILE 50 4.369 4.199 2.599
419 HG22 ILE 50 2HG2 ILE 50 4.292 3.402 4.170
420 HG23 ILE 50 3HG2 ILE 50 4.898 5.054 4.047
421 HD11 ILE 50 3HD1 ILE 50 1.042 3.140 1.394
422 HD12 ILE 50 1HD1 ILE 50 2.758 3.548 1.410
423 HD13 ILE 50 2HD1 ILE 50 1.548 4.829 1.336
424 H THR 51 H THR 51 1.532 7.300 4.494
425 HA THR 51 HA THR 51 -1.051 6.869 5.785
426 HB THR 51 HB THR 51 -0.193 9.003 6.352
427 HG1 THR 51 HG1 THR 51 -2.038 9.972 5.954
428 HG21 THR 51 3HG2 THR 51 0.182 9.521 3.408
429 HG22 THR 51 1HG2 THR 51 1.466 9.234 4.578
430 HG23 THR 51 2HG2 THR 51 0.468 10.683 4.702
431 H GLU 52 H GLU 52 -2.966 7.132 4.699
432 HA GLU 52 HA GLU 52 -3.298 5.849 2.271
433 HB2 GLU 52 2HB GLU 52 -4.993 6.318 4.077
434 HB3 GLU 52 1HB GLU 52 -5.111 7.954 3.458
435 HG2 GLU 52 2HG GLU 52 -5.840 7.010 1.276
436 HG3 GLU 52 1HG GLU 52 -5.867 5.413 2.037
437 H ARG 53 H ARG 53 -2.982 9.253 3.028
438 HA ARG 53 HA ARG 53 -3.661 10.295 0.496
439 HE ARG 53 HE ARG 53 -6.164 10.421 2.487
440 HB2 ARG 53 2HB ARG 53 -1.913 11.475 2.661
441 HB3 ARG 53 1HB ARG 53 -2.612 12.364 1.317
442 HG2 ARG 53 2HG ARG 53 -4.272 10.894 3.343
443 HG3 ARG 53 1HG ARG 53 -3.800 12.585 3.526
444 HD2 ARG 53 2HD ARG 53 -5.658 13.069 2.398
445 HD3 ARG 53 1HD ARG 53 -4.817 12.474 0.969
446 HH11 ARG 53 1HH1 ARG 53 -6.445 12.804 -0.057
447 HH12 ARG 53 2HH1 ARG 53 -7.827 12.048 -0.798
448 HH21 ARG 53 1HH2 ARG 53 -7.975 9.392 1.504
449 HH22 ARG 53 2HH2 ARG 53 -8.720 10.133 0.110
450 H GLU 54 H GLU 54 -0.644 9.185 1.906
451 HA GLU 54 HA GLU 54 1.076 10.216 -0.105
452 HB2 GLU 54 2HB GLU 54 1.893 9.523 2.132
453 HB3 GLU 54 1HB GLU 54 1.525 7.850 1.732
454 HG2 GLU 54 2HG GLU 54 3.095 8.128 -0.237
455 HG3 GLU 54 1HG GLU 54 3.609 9.633 0.515
456 H ALA 55 H ALA 55 -0.384 7.043 0.477
457 HA ALA 55 HA ALA 55 0.757 5.642 -1.628
458 HB1 ALA 55 3HB ALA 55 -1.117 4.105 -1.444
459 HB2 ALA 55 1HB ALA 55 -2.029 5.304 -0.526
460 HB3 ALA 55 2HB ALA 55 -0.561 4.600 0.152
461 H LEU 56 H LEU 56 -2.210 7.572 -1.597
462 HA LEU 56 HA LEU 56 -2.970 7.137 -4.270
463 HG LEU 56 HG LEU 56 -4.169 7.577 -1.412
464 HB2 LEU 56 2HB LEU 56 -3.417 9.647 -2.657
465 HB3 LEU 56 1HB LEU 56 -4.371 9.083 -4.014
466 HD11 LEU 56 1HD1 LEU 56 -6.218 9.597 -2.304
467 HD12 LEU 56 2HD1 LEU 56 -5.140 9.713 -0.907
468 HD13 LEU 56 3HD1 LEU 56 -6.419 8.497 -0.941
469 HD21 LEU 56 3HD2 LEU 56 -4.834 6.237 -3.329
470 HD22 LEU 56 1HD2 LEU 56 -6.098 7.403 -3.724
471 HD23 LEU 56 2HD2 LEU 56 -6.193 6.472 -2.230
472 H ASP 57 H ASP 57 -0.955 9.627 -2.780
473 HA ASP 57 HA ASP 57 -0.660 11.188 -5.125
474 HB2 ASP 57 2HB ASP 57 -0.333 11.967 -2.746
475 HB3 ASP 57 1HB ASP 57 1.206 11.115 -2.748
476 H ARG 58 H ARG 58 1.484 8.824 -3.548
477 HA ARG 58 HA ARG 58 3.597 9.238 -5.415
478 HE ARG 58 HE ARG 58 5.080 5.003 -3.383
479 HB2 ARG 58 2HB ARG 58 4.724 7.384 -4.282
480 HB3 ARG 58 1HB ARG 58 4.077 8.540 -3.131
481 HG2 ARG 58 2HG ARG 58 2.168 7.040 -2.726
482 HG3 ARG 58 1HG ARG 58 2.881 5.873 -3.841
483 HD2 ARG 58 2HD ARG 58 4.235 6.897 -1.348
484 HD3 ARG 58 1HD ARG 58 3.339 5.382 -1.443
485 HH11 ARG 58 1HH1 ARG 58 5.583 6.281 -0.151
486 HH12 ARG 58 2HH1 ARG 58 7.248 5.778 -0.092
487 HH21 ARG 58 1HH2 ARG 58 7.258 4.320 -3.286
488 HH22 ARG 58 2HH2 ARG 58 8.201 4.666 -1.866
489 H TYR 59 H TYR 59 0.908 6.992 -5.291
490 HA TYR 59 HA TYR 59 2.115 5.492 -7.515
491 HD1 TYR 59 HD2 TYR 59 3.112 3.505 -6.966
492 HD2 TYR 59 HD1 TYR 59 0.531 3.998 -3.626
493 HE1 TYR 59 HE2 TYR 59 4.784 2.433 -5.525
494 HE2 TYR 59 HE1 TYR 59 2.207 2.937 -2.173
495 HH TYR 59 HH TYR 59 4.103 1.376 -2.398
496 HB2 TYR 59 2HB TYR 59 -0.164 4.760 -5.677
497 HB3 TYR 59 1HB TYR 59 0.373 3.778 -7.033
498 H SER 60 H SER 60 0.219 8.063 -7.188
499 HA SER 60 HA SER 60 -1.172 9.190 -8.582
500 HG SER 60 HG SER 60 1.370 7.686 -10.162
501 HB2 SER 60 2HB SER 60 -0.628 7.003 -10.601
502 HB3 SER 60 1HB SER 60 -1.154 8.653 -10.931
503 H LEU 61 H LEU 61 -2.185 7.175 -6.790
504 HA LEU 61 HA LEU 61 -4.308 5.801 -8.220
505 HG LEU 61 HG LEU 61 -1.835 4.820 -6.484
506 HB2 LEU 61 2HB LEU 61 -3.724 5.869 -5.260
507 HB3 LEU 61 1HB LEU 61 -4.826 4.781 -6.076
508 HD11 LEU 61 1HD1 LEU 61 -2.403 4.084 -4.239
509 HD12 LEU 61 2HD1 LEU 61 -1.861 2.720 -5.217
510 HD13 LEU 61 3HD1 LEU 61 -3.579 2.944 -4.893
511 HD21 LEU 61 3HD2 LEU 61 -3.942 2.875 -7.419
512 HD22 LEU 61 1HD2 LEU 61 -2.202 2.721 -7.664
513 HD23 LEU 61 2HD2 LEU 61 -3.089 4.037 -8.434
514 H SER 62 H SER 62 -6.475 6.233 -7.998
515 HA SER 62 HA SER 62 -7.190 8.796 -6.822
516 HG SER 62 HG SER 62 -7.704 9.213 -9.232
517 HB2 SER 62 2HB SER 62 -8.909 6.797 -8.325
518 HB3 SER 62 1HB SER 62 -9.372 8.439 -7.876
519 H GLU 63 H GLU 63 -9.158 8.882 -5.440
520 HA GLU 63 HA GLU 63 -8.761 7.302 -3.164
521 HB2 GLU 63 2HB GLU 63 -9.761 9.659 -3.427
522 HB3 GLU 63 1HB GLU 63 -11.275 8.829 -3.756
523 HG2 GLU 63 2HG GLU 63 -11.314 7.859 -1.613
524 HG3 GLU 63 1HG GLU 63 -9.650 8.348 -1.295
525 H GLU 64 H GLU 64 -11.123 7.135 -5.785
526 HA GLU 64 HA GLU 64 -12.672 5.050 -4.633
527 HB2 GLU 64 2HB GLU 64 -13.579 4.779 -6.948
528 HB3 GLU 64 1HB GLU 64 -13.686 6.410 -6.307
529 HG2 GLU 64 2HG GLU 64 -11.651 6.993 -7.598
530 HG3 GLU 64 1HG GLU 64 -11.700 5.386 -8.321
531 H GLU 65 H GLU 65 -9.740 5.104 -6.487
532 HA GLU 65 HA GLU 65 -9.639 2.380 -7.249
533 HB2 GLU 65 2HB GLU 65 -8.146 3.997 -8.259
534 HB3 GLU 65 1HB GLU 65 -7.469 4.420 -6.697
535 HG2 GLU 65 2HG GLU 65 -5.838 3.103 -7.683
536 HG3 GLU 65 1HG GLU 65 -6.672 1.995 -6.598
537 H PHE 66 H PHE 66 -8.068 4.100 -4.553
538 HA PHE 66 HA PHE 66 -7.103 1.822 -3.234
539 HD1 PHE 66 HD2 PHE 66 -4.629 2.701 -2.005
540 HD2 PHE 66 HD1 PHE 66 -8.091 3.654 0.283
541 HE1 PHE 66 HE2 PHE 66 -3.500 1.901 0.030
542 HE2 PHE 66 HE1 PHE 66 -6.966 2.858 2.319
543 HZ PHE 66 HZ PHE 66 -4.670 1.980 2.193
544 HB2 PHE 66 2HB PHE 66 -6.379 4.204 -2.858
545 HB3 PHE 66 1HB PHE 66 -7.861 4.453 -1.947
546 H ALA 67 H ALA 67 -10.212 3.422 -3.149
547 HA ALA 67 HA ALA 67 -11.321 2.192 -0.890
548 HB1 ALA 67 3HB ALA 67 -13.483 2.729 -1.857
549 HB2 ALA 67 1HB ALA 67 -12.731 3.015 -3.425
550 HB3 ALA 67 2HB ALA 67 -12.366 4.078 -2.066
551 H LEU 68 H LEU 68 -11.028 1.090 -4.233
552 HA LEU 68 HA LEU 68 -12.547 -1.297 -3.875
553 HG LEU 68 HG LEU 68 -12.534 0.802 -6.085
554 HB2 LEU 68 2HB LEU 68 -10.469 -0.548 -5.930
555 HB3 LEU 68 1HB LEU 68 -11.439 -2.009 -5.996
556 HD11 LEU 68 1HD1 LEU 68 -12.212 -1.237 -8.281
557 HD12 LEU 68 2HD1 LEU 68 -11.248 0.225 -8.087
558 HD13 LEU 68 3HD1 LEU 68 -12.973 0.346 -8.432
559 HD21 LEU 68 3HD2 LEU 68 -14.636 -0.291 -6.698
560 HD22 LEU 68 1HD2 LEU 68 -14.093 -0.795 -5.099
561 HD23 LEU 68 2HD2 LEU 68 -13.880 -1.870 -6.481
562 H TRP 69 H TRP 69 -9.106 -0.498 -3.768
563 HA TRP 69 HA TRP 69 -8.037 -3.044 -3.387
564 HD1 TRP 69 HD1 TRP 69 -8.092 -1.038 -5.341
565 HE1 TRP 69 HE1 TRP 69 -6.443 -0.318 -7.176
566 HE3 TRP 69 HE3 TRP 69 -3.825 -0.807 -2.531
567 HZ2 TRP 69 HZ2 TRP 69 -3.687 0.243 -7.400
568 HZ3 TRP 69 HZ3 TRP 69 -1.727 -0.174 -3.640
569 HH2 TRP 69 HH2 TRP 69 -1.658 0.338 -6.021
570 HB2 TRP 69 2HB TRP 69 -7.126 -0.424 -2.174
571 HB3 TRP 69 1HB TRP 69 -6.176 -1.904 -2.178
572 H ARG 70 H ARG 70 -9.057 -0.711 -0.910
573 HA ARG 70 HA ARG 70 -8.678 -2.530 1.246
574 HE ARG 70 HE ARG 70 -10.695 0.993 3.643
575 HB2 ARG 70 2HB ARG 70 -9.670 -0.830 2.633
576 HB3 ARG 70 1HB ARG 70 -8.600 -0.053 1.473
577 HG2 ARG 70 2HG ARG 70 -10.683 0.338 0.064
578 HG3 ARG 70 1HG ARG 70 -11.596 -0.098 1.509
579 HD2 ARG 70 2HD ARG 70 -9.620 2.150 1.226
580 HD3 ARG 70 1HD ARG 70 -11.367 2.294 1.401
581 HH11 ARG 70 1HH1 ARG 70 -9.461 3.850 2.085
582 HH12 ARG 70 2HH1 ARG 70 -8.842 4.568 3.538
583 HH21 ARG 70 1HH2 ARG 70 -9.906 1.928 5.602
584 HH22 ARG 70 2HH2 ARG 70 -9.101 3.465 5.550
585 H SER 71 H SER 71 -11.225 -2.034 -1.004
586 HA SER 71 HA SER 71 -13.351 -3.090 0.561
587 HG SER 71 HG SER 71 -14.933 -4.172 -1.105
588 HB2 SER 71 2HB SER 71 -13.648 -1.722 -1.521
589 HB3 SER 71 1HB SER 71 -13.082 -3.101 -2.456
590 H ALA 72 H ALA 72 -10.997 -4.473 -1.671
591 HA ALA 72 HA ALA 72 -12.098 -7.129 -1.384
592 HB1 ALA 72 3HB ALA 72 -11.113 -6.410 -3.501
593 HB2 ALA 72 1HB ALA 72 -10.285 -7.823 -2.852
594 HB3 ALA 72 2HB ALA 72 -9.548 -6.228 -2.713
595 H VAL 73 H VAL 73 -9.196 -5.411 -0.268
596 HA VAL 73 HA VAL 73 -8.125 -7.783 0.960
597 HB VAL 73 HB VAL 73 -7.187 -4.921 1.174
598 HG11 VAL 73 1HG1 VAL 73 -5.796 -7.498 1.902
599 HG12 VAL 73 2HG1 VAL 73 -6.378 -6.272 3.027
600 HG13 VAL 73 3HG1 VAL 73 -5.061 -5.894 1.919
601 HG21 VAL 73 3HG2 VAL 73 -5.491 -5.585 -0.476
602 HG22 VAL 73 1HG2 VAL 73 -7.128 -5.723 -1.119
603 HG23 VAL 73 2HG2 VAL 73 -6.256 -7.170 -0.610
604 H ALA 74 H ALA 74 -9.487 -4.717 2.199
605 HA ALA 74 HA ALA 74 -9.105 -5.568 4.935
606 HB1 ALA 74 3HB ALA 74 -10.536 -3.129 3.883
607 HB2 ALA 74 1HB ALA 74 -8.824 -3.211 4.301
608 HB3 ALA 74 2HB ALA 74 -10.047 -3.420 5.553
609 H ALA 75 H ALA 75 -11.037 -6.875 2.944
610 HA ALA 75 HA ALA 75 -13.146 -7.238 4.953
611 HB1 ALA 75 3HB ALA 75 -14.108 -5.913 3.143
612 HB2 ALA 75 1HB ALA 75 -14.806 -7.532 3.169
613 HB3 ALA 75 2HB ALA 75 -13.585 -7.118 1.964
614 H HIS 76 H HIS 76 -10.569 -8.528 3.829
615 HA HIS 76 HA HIS 76 -11.436 -11.061 2.792
616 HD1 HIS 76 HD1 HIS 76 -9.596 -12.834 1.277
617 HD2 HIS 76 HD2 HIS 76 -7.403 -12.109 4.743
618 HE1 HIS 76 HE1 HIS 76 -8.279 -14.934 1.708
619 HE2 HIS 76 HE2 HIS 76 -6.851 -14.416 3.721
620 HB2 HIS 76 2HB HIS 76 -9.321 -10.246 2.022
621 HB3 HIS 76 1HB HIS 76 -8.749 -9.997 3.664
622 H GLY 77 H GLY 77 -12.490 -12.386 4.104
623 HA2 GLY 77 2HA GLY 77 -11.395 -12.819 6.815
624 HA3 GLY 77 1HA GLY 77 -13.078 -13.072 6.374
625 H GLU 78 H GLU 78 -9.968 -14.463 6.577
626 HA GLU 78 HA GLU 78 -10.665 -16.743 4.900
627 HB2 GLU 78 2HB GLU 78 -8.431 -17.546 5.300
628 HB3 GLU 78 1HB GLU 78 -8.336 -15.830 4.926
629 HG2 GLU 78 2HG GLU 78 -8.344 -16.883 7.738
630 HG3 GLU 78 1HG GLU 78 -6.869 -16.670 6.803
631 H LYS 79 H LYS 79 -10.646 -15.783 8.190
632 HA LYS 79 HA LYS 79 -10.966 -18.507 9.155
633 HB2 LYS 79 2HB LYS 79 -11.137 -17.201 11.415
634 HB3 LYS 79 1HB LYS 79 -9.578 -17.389 10.623
635 HG2 LYS 79 2HG LYS 79 -9.831 -15.138 9.655
636 HG3 LYS 79 1HG LYS 79 -11.347 -14.956 10.534
637 HD2 LYS 79 2HD LYS 79 -10.243 -14.989 12.626
638 HD3 LYS 79 1HD LYS 79 -8.736 -15.559 11.900
639 HE2 LYS 79 2HE LYS 79 -10.015 -12.878 11.357
640 HE3 LYS 79 1HE LYS 79 -8.681 -13.152 12.478
641 HZ1 LYS 79 3HZ LYS 79 -7.333 -13.940 10.642
642 HZ2 LYS 79 1HZ LYS 79 -7.891 -12.375 10.331
643 HZ3 LYS 79 2HZ LYS 79 -8.608 -13.696 9.551
644 H ALA 80 H ALA 80 -12.723 -15.420 9.501
645 HA ALA 80 HA ALA 80 -15.262 -16.501 8.939
646 HB1 ALA 80 3HB ALA 80 -16.283 -16.437 11.154
647 HB2 ALA 80 1HB ALA 80 -14.726 -16.027 11.874
648 HB3 ALA 80 2HB ALA 80 -14.960 -17.604 11.123
649 H LEU 81 H LEU 81 -16.933 -14.870 9.076
650 HA LEU 81 HA LEU 81 -15.837 -12.170 9.503
651 HG LEU 81 HG LEU 81 -15.356 -11.792 7.167
652 HB2 LEU 81 2HB LEU 81 -18.019 -13.103 7.649
653 HB3 LEU 81 1HB LEU 81 -17.759 -11.414 8.037
654 HD11 LEU 81 1HD1 LEU 81 -16.732 -14.166 5.920
655 HD12 LEU 81 2HD1 LEU 81 -15.396 -14.216 7.070
656 HD13 LEU 81 3HD1 LEU 81 -15.151 -13.535 5.460
657 HD21 LEU 81 3HD2 LEU 81 -17.064 -10.442 6.038
658 HD22 LEU 81 1HD2 LEU 81 -17.667 -11.892 5.236
659 HD23 LEU 81 2HD2 LEU 81 -16.039 -11.308 4.894
660 H LYS 82 H LYS 82 -16.256 -12.292 11.700
661 HA LYS 82 HA LYS 82 -19.063 -12.290 12.542
662 HB2 LYS 82 2HB LYS 82 -17.469 -13.755 13.751
663 HB3 LYS 82 1HB LYS 82 -16.509 -12.346 14.174
664 HG2 LYS 82 2HG LYS 82 -18.425 -11.461 15.444
665 HG3 LYS 82 1HG LYS 82 -19.320 -12.933 15.069
666 HD2 LYS 82 2HD LYS 82 -17.592 -14.255 16.201
667 HD3 LYS 82 1HD LYS 82 -16.724 -12.772 16.595
668 HE2 LYS 82 2HE LYS 82 -18.697 -12.000 17.869
669 HE3 LYS 82 1HE LYS 82 -19.490 -13.537 17.526
670 HZ1 LYS 82 3HZ LYS 82 -16.947 -13.203 19.022
671 HZ2 LYS 82 1HZ LYS 82 -17.720 -14.679 18.708
672 HZ3 LYS 82 2HZ LYS 82 -18.459 -13.528 19.713
673 H VAL 83 H VAL 83 -19.736 -10.565 14.059
674 HA VAL 83 HA VAL 83 -19.467 -8.053 12.991
675 HB VAL 83 HB VAL 83 -21.271 -8.641 14.515
676 HG11 VAL 83 1HG1 VAL 83 -20.973 -8.705 16.923
677 HG12 VAL 83 2HG1 VAL 83 -19.238 -8.463 16.732
678 HG13 VAL 83 3HG1 VAL 83 -19.992 -9.945 16.141
679 HG21 VAL 83 3HG2 VAL 83 -20.868 -6.290 14.143
680 HG22 VAL 83 1HG2 VAL 83 -19.663 -6.258 15.433
681 HG23 VAL 83 2HG2 VAL 83 -21.360 -6.543 15.817
682 H THR 84 H THR 84 -17.515 -9.474 15.558
683 HA THR 84 HA THR 84 -16.098 -7.076 16.188
684 HB THR 84 HB THR 84 -15.331 -9.938 16.763
685 HG1 THR 84 HG1 THR 84 -17.050 -8.127 18.146
686 HG21 THR 84 3HG2 THR 84 -14.147 -8.978 18.692
687 HG22 THR 84 1HG2 THR 84 -14.616 -7.358 18.169
688 HG23 THR 84 2HG2 THR 84 -13.532 -8.328 17.173
689 H MET 85 H MET 85 -15.635 -9.735 13.970
690 HA MET 85 HA MET 85 -12.843 -9.342 13.580
691 HB2 MET 85 2HB MET 85 -14.947 -10.975 12.204
692 HB3 MET 85 1HB MET 85 -13.355 -10.796 11.479
693 HG2 MET 85 2HG MET 85 -13.480 -12.838 12.761
694 HG3 MET 85 1HG MET 85 -12.327 -11.724 13.489
695 HE1 MET 85 3HE MET 85 -13.411 -14.262 15.046
696 HE2 MET 85 1HE MET 85 -13.739 -13.557 16.628
697 HE3 MET 85 2HE MET 85 -12.293 -13.085 15.739
698 H ILE 86 H ILE 86 -15.724 -8.061 12.055
699 HA ILE 86 HA ILE 86 -14.673 -7.196 9.628
700 HB ILE 86 HB ILE 86 -16.784 -5.872 11.337
701 HG12 ILE 86 2HG1 ILE 86 -17.740 -7.064 8.914
702 HG13 ILE 86 1HG1 ILE 86 -16.759 -8.245 9.777
703 HG21 ILE 86 1HG2 ILE 86 -16.010 -5.329 8.474
704 HG22 ILE 86 2HG2 ILE 86 -15.911 -4.211 9.837
705 HG23 ILE 86 3HG2 ILE 86 -17.484 -4.740 9.245
706 HD11 ILE 86 3HD1 ILE 86 -19.073 -6.725 10.945
707 HD12 ILE 86 1HD1 ILE 86 -18.113 -7.965 11.755
708 HD13 ILE 86 2HD1 ILE 86 -19.120 -8.390 10.367
709 H GLN 87 H GLN 87 -14.634 -5.529 12.774
710 HA GLN 87 HA GLN 87 -13.300 -3.222 11.815
711 HB2 GLN 87 2HB GLN 87 -14.529 -3.217 13.933
712 HB3 GLN 87 1HB GLN 87 -13.379 -4.362 14.613
713 HG2 GLN 87 2HG GLN 87 -11.597 -2.732 14.419
714 HG3 GLN 87 1HG GLN 87 -12.704 -1.584 13.670
715 HE21 GLN 87 1HE2 GLN 87 -11.122 -1.343 16.104
716 HE22 GLN 87 2HE2 GLN 87 -12.251 -0.999 17.366
717 H LYS 88 H LYS 88 -12.213 -6.366 12.847
718 HA LYS 88 HA LYS 88 -9.470 -5.619 13.208
719 HB2 LYS 88 2HB LYS 88 -10.766 -8.328 12.867
720 HB3 LYS 88 1HB LYS 88 -9.060 -8.087 13.211
721 HG2 LYS 88 2HG LYS 88 -9.715 -6.913 15.304
722 HG3 LYS 88 1HG LYS 88 -11.390 -7.356 14.968
723 HD2 LYS 88 2HD LYS 88 -10.396 -8.936 16.527
724 HD3 LYS 88 1HD LYS 88 -10.755 -9.731 14.994
725 HE2 LYS 88 2HE LYS 88 -8.591 -10.452 15.756
726 HE3 LYS 88 1HE LYS 88 -8.387 -9.434 14.332
727 HZ1 LYS 88 3HZ LYS 88 -6.763 -8.777 15.890
728 HZ2 LYS 88 1HZ LYS 88 -7.878 -8.715 17.165
729 HZ3 LYS 88 2HZ LYS 88 -7.946 -7.564 15.929
730 H TYR 89 H TYR 89 -11.437 -6.342 10.492
731 HA TYR 89 HA TYR 89 -9.121 -6.870 8.791
732 HD1 TYR 89 HD2 TYR 89 -9.163 -9.039 8.503
733 HD2 TYR 89 HD1 TYR 89 -13.389 -8.542 8.464
734 HE1 TYR 89 HE2 TYR 89 -9.437 -11.374 9.223
735 HE2 TYR 89 HE1 TYR 89 -13.677 -10.876 9.179
736 HH TYR 89 HH TYR 89 -12.593 -12.897 9.362
737 HB2 TYR 89 2HB TYR 89 -12.059 -6.711 8.062
738 HB3 TYR 89 1HB TYR 89 -10.758 -7.184 6.977
739 H ARG 90 H ARG 90 -11.722 -4.486 9.174
740 HA ARG 90 HA ARG 90 -10.884 -2.707 7.163
741 HE ARG 90 HE ARG 90 -15.422 -2.121 6.206
742 HB2 ARG 90 2HB ARG 90 -12.427 -2.256 9.717
743 HB3 ARG 90 1HB ARG 90 -12.149 -0.987 8.535
744 HG2 ARG 90 2HG ARG 90 -13.637 -3.561 8.061
745 HG3 ARG 90 1HG ARG 90 -14.349 -1.959 8.259
746 HD2 ARG 90 2HD ARG 90 -12.925 -1.261 6.267
747 HD3 ARG 90 1HD ARG 90 -12.647 -2.983 6.005
748 HH11 ARG 90 1HH1 ARG 90 -12.738 -3.068 4.174
749 HH12 ARG 90 2HH1 ARG 90 -13.712 -3.290 2.757
750 HH21 ARG 90 1HH2 ARG 90 -16.722 -2.408 4.339
751 HH22 ARG 90 2HH2 ARG 90 -15.986 -2.931 2.851
752 H GLN 91 H GLN 91 -10.113 -2.886 10.601
753 HA GLN 91 HA GLN 91 -7.899 -1.009 10.142
754 HB2 GLN 91 2HB GLN 91 -9.942 -0.591 11.847
755 HB3 GLN 91 1HB GLN 91 -8.907 -1.548 12.894
756 HG2 GLN 91 2HG GLN 91 -8.086 0.980 11.493
757 HG3 GLN 91 1HG GLN 91 -8.606 0.874 13.170
758 HE21 GLN 91 1HE2 GLN 91 -6.063 0.250 10.910
759 HE22 GLN 91 2HE2 GLN 91 -4.845 -0.136 12.068
760 H LEU 92 H LEU 92 -7.261 -3.333 9.334
761 HA LEU 92 HA LEU 92 -6.623 -5.342 11.183
762 HG LEU 92 HG LEU 92 -6.818 -7.300 9.543
763 HB2 LEU 92 2HB LEU 92 -6.609 -5.148 8.476
764 HB3 LEU 92 1HB LEU 92 -4.890 -5.102 8.811
765 HD11 LEU 92 1HD1 LEU 92 -6.144 -7.302 7.213
766 HD12 LEU 92 2HD1 LEU 92 -5.416 -8.659 8.074
767 HD13 LEU 92 3HD1 LEU 92 -4.446 -7.238 7.688
768 HD21 LEU 92 3HD2 LEU 92 -3.887 -7.057 10.200
769 HD22 LEU 92 1HD2 LEU 92 -4.892 -8.480 10.471
770 HD23 LEU 92 2HD2 LEU 92 -5.224 -6.987 11.350
771 H HIS 93 H HIS 93 -5.481 -4.750 12.923
772 HA HIS 93 HA HIS 93 -2.871 -3.471 12.513
773 HD1 HIS 93 HD1 HIS 93 -3.036 -3.652 17.111
774 HD2 HIS 93 HD2 HIS 93 -1.415 -1.662 13.836
775 HE1 HIS 93 HE1 HIS 93 -0.916 -2.588 17.943
776 HE2 HIS 93 HE2 HIS 93 -0.069 -1.217 16.004
777 HB2 HIS 93 2HB HIS 93 -4.415 -2.447 14.174
778 HB3 HIS 93 1HB HIS 93 -4.407 -3.951 15.082
779 H HIS 94 H HIS 94 -4.465 -6.228 14.021
780 HA HIS 94 HA HIS 94 -2.296 -7.998 13.463
781 HD1 HIS 94 HD1 HIS 94 -2.634 -9.567 17.477
782 HD2 HIS 94 HD2 HIS 94 0.367 -8.934 14.667
783 HE1 HIS 94 HE1 HIS 94 -1.036 -11.497 17.740
784 HE2 HIS 94 HE2 HIS 94 0.708 -11.157 15.947
785 HB2 HIS 94 2HB HIS 94 -1.406 -6.777 15.460
786 HB3 HIS 94 1HB HIS 94 -2.804 -7.325 16.378
787 H HIS 95 H HIS 95 -2.972 -10.194 13.735
788 HA HIS 95 HA HIS 95 -5.821 -10.479 13.922
789 HD1 HIS 95 HD1 HIS 95 -3.065 -13.285 11.269
790 HD2 HIS 95 HD2 HIS 95 -2.524 -12.679 15.350
791 HE1 HIS 95 HE1 HIS 95 -0.791 -14.208 11.798
792 HE2 HIS 95 HE2 HIS 95 -0.592 -14.043 14.304
793 HB2 HIS 95 2HB HIS 95 -5.346 -12.944 13.555
794 HB3 HIS 95 1HB HIS 95 -4.865 -11.852 12.271
Start of MODEL 3
1 HA MET 1 HA MET 1 16.125 13.118 19.643
2 H1 MET 1 1H MET 1 17.213 11.456 18.293
3 H2 MET 1 2H MET 1 17.920 12.982 18.087
4 H3 MET 1 3H MET 1 16.893 12.359 16.891
5 HB2 MET 1 2HB MET 1 15.581 14.391 16.956
6 HB3 MET 1 1HB MET 1 14.711 14.813 18.424
7 HG2 MET 1 2HG MET 1 17.680 15.077 18.017
8 HG3 MET 1 1HG MET 1 16.506 16.389 17.917
9 HE1 MET 1 3HE MET 1 18.506 17.036 21.270
10 HE2 MET 1 1HE MET 1 18.135 17.651 19.660
11 HE3 MET 1 2HE MET 1 19.169 16.234 19.844
12 H TYR 2 H TYR 2 14.455 12.057 20.401
13 HA TYR 2 HA TYR 2 12.445 11.017 18.513
14 HD1 TYR 2 HD2 TYR 2 12.187 8.580 17.672
15 HD2 TYR 2 HD1 TYR 2 15.574 8.682 20.242
16 HE1 TYR 2 HE2 TYR 2 13.403 7.117 16.115
17 HE2 TYR 2 HE1 TYR 2 16.799 7.217 18.694
18 HH TYR 2 HH TYR 2 16.269 5.537 16.949
19 HB2 TYR 2 2HB TYR 2 13.595 9.656 20.948
20 HB3 TYR 2 1HB TYR 2 12.077 9.161 20.213
21 H LEU 3 H LEU 3 12.989 13.273 20.739
22 HA LEU 3 HA LEU 3 10.658 12.938 22.406
23 HG LEU 3 HG LEU 3 13.696 13.417 23.083
24 HB2 LEU 3 2HB LEU 3 12.503 15.305 22.069
25 HB3 LEU 3 1HB LEU 3 11.246 15.170 23.283
26 HD11 LEU 3 1HD1 LEU 3 12.951 15.579 25.047
27 HD12 LEU 3 2HD1 LEU 3 14.220 15.669 23.825
28 HD13 LEU 3 3HD1 LEU 3 14.363 14.527 25.159
29 HD21 LEU 3 3HD2 LEU 3 11.763 12.205 23.961
30 HD22 LEU 3 1HD2 LEU 3 11.510 13.476 25.158
31 HD23 LEU 3 2HD2 LEU 3 12.971 12.492 25.214
32 H LYS 4 H LYS 4 11.656 15.541 20.189
33 HA LYS 4 HA LYS 4 8.811 16.063 19.663
34 HB2 LYS 4 2HB LYS 4 11.271 17.778 19.483
35 HB3 LYS 4 1HB LYS 4 9.792 18.222 18.641
36 HG2 LYS 4 2HG LYS 4 8.592 18.187 20.790
37 HG3 LYS 4 1HG LYS 4 10.117 17.836 21.610
38 HD2 LYS 4 2HD LYS 4 11.027 19.934 21.020
39 HD3 LYS 4 1HD LYS 4 9.751 20.239 19.839
40 HE2 LYS 4 2HE LYS 4 9.408 20.098 22.833
41 HE3 LYS 4 1HE LYS 4 9.423 21.567 21.861
42 HZ1 LYS 4 3HZ LYS 4 7.171 21.019 22.270
43 HZ2 LYS 4 1HZ LYS 4 7.397 19.398 21.823
44 HZ3 LYS 4 2HZ LYS 4 7.466 20.621 20.650
45 H ARG 5 H ARG 5 10.860 14.091 18.398
46 HA ARG 5 HA ARG 5 9.893 14.561 15.689
47 HE ARG 5 HE ARG 5 13.026 16.380 14.086
48 HB2 ARG 5 2HB ARG 5 12.126 15.532 15.679
49 HB3 ARG 5 1HB ARG 5 12.798 14.052 16.351
50 HG2 ARG 5 2HG ARG 5 12.231 12.838 14.340
51 HG3 ARG 5 1HG ARG 5 11.436 14.265 13.673
52 HD2 ARG 5 2HD ARG 5 14.360 14.101 14.393
53 HD3 ARG 5 1HD ARG 5 13.712 13.879 12.768
54 HH11 ARG 5 1HH1 ARG 5 15.158 14.701 11.871
55 HH12 ARG 5 2HH1 ARG 5 15.682 16.153 11.072
56 HH21 ARG 5 1HH2 ARG 5 13.716 18.289 13.037
57 HH22 ARG 5 2HH2 ARG 5 14.852 18.194 11.730
58 H VAL 6 H VAL 6 8.552 12.833 15.718
59 HA VAL 6 HA VAL 6 9.730 10.198 16.209
60 HB VAL 6 HB VAL 6 6.852 10.936 15.624
61 HG11 VAL 6 1HG1 VAL 6 8.052 8.315 16.514
62 HG12 VAL 6 2HG1 VAL 6 7.407 8.665 14.911
63 HG13 VAL 6 3HG1 VAL 6 6.332 8.648 16.309
64 HG21 VAL 6 3HG2 VAL 6 7.578 11.799 17.783
65 HG22 VAL 6 1HG2 VAL 6 8.191 10.207 18.230
66 HG23 VAL 6 2HG2 VAL 6 6.460 10.451 18.001
67 H ASP 7 H ASP 7 10.893 9.628 14.485
68 HA ASP 7 HA ASP 7 10.476 10.409 11.841
69 HB2 ASP 7 2HB ASP 7 12.582 9.412 12.874
70 HB3 ASP 7 1HB ASP 7 11.815 7.839 12.692
71 H GLY 8 H GLY 8 9.365 9.536 10.177
72 HA2 GLY 8 2HA GLY 8 7.001 8.152 10.640
73 HA3 GLY 8 1HA GLY 8 7.774 8.306 9.068
74 HA PRO 9 HA PRO 9 8.049 3.976 11.488
75 HB2 PRO 9 2HB PRO 9 5.767 3.353 9.671
76 HB3 PRO 9 1HB PRO 9 6.101 2.769 11.305
77 HG2 PRO 9 2HG PRO 9 4.256 4.643 10.888
78 HG3 PRO 9 1HG PRO 9 5.316 4.704 12.306
79 HD2 PRO 9 2HD PRO 9 5.383 6.336 9.818
80 HD3 PRO 9 1HD PRO 9 5.817 6.787 11.480
81 H ARG 10 H ARG 10 9.524 2.703 10.614
82 HA ARG 10 HA ARG 10 10.059 3.045 7.757
83 HE ARG 10 HE ARG 10 13.052 6.265 10.047
84 HB2 ARG 10 2HB ARG 10 11.833 2.027 9.982
85 HB3 ARG 10 1HB ARG 10 12.327 2.233 8.306
86 HG2 ARG 10 2HG ARG 10 11.926 4.622 8.456
87 HG3 ARG 10 1HG ARG 10 11.357 4.437 10.113
88 HD2 ARG 10 2HD ARG 10 13.566 3.654 10.789
89 HD3 ARG 10 1HD ARG 10 14.133 3.801 9.126
90 HH11 ARG 10 1HH1 ARG 10 15.889 4.224 10.404
91 HH12 ARG 10 2HH1 ARG 10 16.963 5.566 10.688
92 HH21 ARG 10 1HH2 ARG 10 14.451 8.002 10.416
93 HH22 ARG 10 2HH2 ARG 10 16.145 7.718 10.683
94 H GLN 11 H GLN 11 8.878 0.773 9.985
95 HA GLN 11 HA GLN 11 8.332 -1.063 7.876
96 HB2 GLN 11 2HB GLN 11 9.483 -3.018 8.781
97 HB3 GLN 11 1HB GLN 11 10.632 -1.762 8.340
98 HG2 GLN 11 2HG GLN 11 10.777 -1.113 10.718
99 HG3 GLN 11 1HG GLN 11 9.700 -2.452 11.119
100 HE21 GLN 11 1HE2 GLN 11 11.212 -3.491 12.378
101 HE22 GLN 11 2HE2 GLN 11 12.599 -4.279 11.709
102 H VAL 12 H VAL 12 6.658 -2.398 8.343
103 HA VAL 12 HA VAL 12 5.619 -2.397 11.099
104 HB VAL 12 HB VAL 12 3.307 -2.340 10.121
105 HG11 VAL 12 1HG1 VAL 12 4.239 -0.356 11.151
106 HG12 VAL 12 2HG1 VAL 12 3.288 0.097 9.736
107 HG13 VAL 12 3HG1 VAL 12 5.049 0.074 9.644
108 HG21 VAL 12 3HG2 VAL 12 3.843 -3.002 7.848
109 HG22 VAL 12 1HG2 VAL 12 4.775 -1.522 7.619
110 HG23 VAL 12 2HG2 VAL 12 3.029 -1.439 7.857
111 H THR 13 H THR 13 4.067 -4.213 11.478
112 HA THR 13 HA THR 13 5.088 -6.598 10.124
113 HB THR 13 HB THR 13 3.333 -6.449 12.581
114 HG1 THR 13 HG1 THR 13 5.300 -6.652 13.733
115 HG21 THR 13 3HG2 THR 13 5.107 -8.650 11.509
116 HG22 THR 13 1HG2 THR 13 3.345 -8.631 11.460
117 HG23 THR 13 2HG2 THR 13 4.182 -8.708 13.009
118 H LEU 14 H LEU 14 3.872 -7.909 8.875
119 HA LEU 14 HA LEU 14 1.188 -7.056 8.152
120 HG LEU 14 HG LEU 14 2.728 -8.131 4.945
121 HB2 LEU 14 2HB LEU 14 2.921 -9.325 7.163
122 HB3 LEU 14 1HB LEU 14 1.303 -9.019 6.575
123 HD11 LEU 14 1HD1 LEU 14 1.952 -5.818 6.713
124 HD12 LEU 14 2HD1 LEU 14 0.899 -6.620 5.545
125 HD13 LEU 14 3HD1 LEU 14 2.322 -5.735 4.991
126 HD21 LEU 14 3HD2 LEU 14 4.727 -8.168 6.500
127 HD22 LEU 14 1HD2 LEU 14 4.234 -6.548 6.990
128 HD23 LEU 14 2HD2 LEU 14 4.661 -6.873 5.307
129 HA PRO 15 HA PRO 15 -0.934 -10.213 10.543
130 HB2 PRO 15 2HB PRO 15 -2.656 -10.811 8.244
131 HB3 PRO 15 1HB PRO 15 -3.090 -10.108 9.803
132 HG2 PRO 15 2HG PRO 15 -3.113 -8.670 7.524
133 HG3 PRO 15 1HG PRO 15 -2.699 -7.954 9.092
134 HD2 PRO 15 2HD PRO 15 -0.890 -8.833 6.873
135 HD3 PRO 15 1HD PRO 15 -0.795 -7.386 7.901
136 H ASP 16 H ASP 16 0.434 -10.686 7.465
137 HA ASP 16 HA ASP 16 0.243 -13.517 7.262
138 HB2 ASP 16 2HB ASP 16 2.319 -11.724 5.984
139 HB3 ASP 16 1HB ASP 16 1.753 -13.288 5.408
140 H GLY 17 H GLY 17 2.135 -11.397 9.134
141 HA2 GLY 17 2HA GLY 17 3.662 -12.067 10.812
142 HA3 GLY 17 1HA GLY 17 3.907 -13.580 9.948
143 H THR 18 H THR 18 3.958 -11.439 7.591
144 HA THR 18 HA THR 18 6.812 -11.463 7.320
145 HB THR 18 HB THR 18 4.949 -9.886 5.563
146 HG1 THR 18 HG1 THR 18 5.199 -12.728 5.692
147 HG21 THR 18 3HG2 THR 18 6.431 -10.719 3.791
148 HG22 THR 18 1HG2 THR 18 7.353 -11.627 4.989
149 HG23 THR 18 2HG2 THR 18 7.339 -9.864 5.037
150 H VAL 19 H VAL 19 7.957 -9.379 6.680
151 HA VAL 19 HA VAL 19 7.090 -7.152 8.398
152 HB VAL 19 HB VAL 19 9.858 -7.768 7.336
153 HG11 VAL 19 1HG1 VAL 19 10.615 -5.963 8.795
154 HG12 VAL 19 2HG1 VAL 19 8.945 -5.626 9.252
155 HG13 VAL 19 3HG1 VAL 19 9.475 -5.365 7.590
156 HG21 VAL 19 3HG2 VAL 19 9.150 -9.343 9.059
157 HG22 VAL 19 1HG2 VAL 19 8.720 -8.002 10.121
158 HG23 VAL 19 2HG2 VAL 19 10.406 -8.268 9.675
159 H LEU 20 H LEU 20 6.601 -5.255 7.504
160 HA LEU 20 HA LEU 20 7.033 -4.920 4.607
161 HG LEU 20 HG LEU 20 5.332 -2.258 4.496
162 HB2 LEU 20 2HB LEU 20 4.675 -5.097 5.260
163 HB3 LEU 20 1HB LEU 20 4.875 -3.780 6.394
164 HD11 LEU 20 1HD1 LEU 20 4.826 -2.995 2.225
165 HD12 LEU 20 2HD1 LEU 20 4.583 -4.642 2.808
166 HD13 LEU 20 3HD1 LEU 20 6.180 -3.901 2.900
167 HD21 LEU 20 3HD2 LEU 20 3.023 -2.185 3.678
168 HD22 LEU 20 1HD2 LEU 20 3.098 -2.432 5.422
169 HD23 LEU 20 2HD2 LEU 20 2.742 -3.790 4.354
170 H SER 21 H SER 21 8.956 -3.814 4.605
171 HA SER 21 HA SER 21 9.241 -1.477 6.316
172 HG SER 21 HG SER 21 10.734 -3.522 3.754
173 HB2 SER 21 2HB SER 21 11.502 -1.321 5.391
174 HB3 SER 21 1HB SER 21 11.187 -2.969 5.933
175 H ARG 22 H ARG 22 10.191 0.521 5.120
176 HA ARG 22 HA ARG 22 8.185 1.440 3.326
177 HE ARG 22 HE ARG 22 9.962 5.818 4.280
178 HB2 ARG 22 2HB ARG 22 10.835 2.689 4.064
179 HB3 ARG 22 1HB ARG 22 9.512 3.511 3.246
180 HG2 ARG 22 2HG ARG 22 8.101 3.238 5.193
181 HG3 ARG 22 1HG ARG 22 9.372 2.328 6.013
182 HD2 ARG 22 2HD ARG 22 9.402 4.567 6.845
183 HD3 ARG 22 1HD ARG 22 10.831 4.339 5.838
184 HH11 ARG 22 1HH1 ARG 22 7.615 5.178 6.805
185 HH12 ARG 22 2HH1 ARG 22 6.635 6.558 6.421
186 HH21 ARG 22 1HH2 ARG 22 8.692 7.658 3.795
187 HH22 ARG 22 2HH2 ARG 22 7.252 7.984 4.720
188 H ALA 23 H ALA 23 10.989 -0.363 2.869
189 HA ALA 23 HA ALA 23 11.285 0.467 0.078
190 HB1 ALA 23 3HB ALA 23 12.937 -1.434 1.737
191 HB2 ALA 23 1HB ALA 23 13.337 0.240 1.358
192 HB3 ALA 23 2HB ALA 23 13.279 -0.965 0.074
193 H ASP 24 H ASP 24 9.486 -1.675 1.862
194 HA ASP 24 HA ASP 24 9.519 -3.854 -0.044
195 HB2 ASP 24 2HB ASP 24 8.062 -3.330 2.512
196 HB3 ASP 24 1HB ASP 24 7.418 -4.526 1.394
197 H LEU 25 H LEU 25 7.927 -0.877 0.324
198 HA LEU 25 HA LEU 25 5.502 -1.346 -0.982
199 HG LEU 25 HG LEU 25 6.207 0.540 1.248
200 HB2 LEU 25 2HB LEU 25 7.289 1.081 -0.911
201 HB3 LEU 25 1HB LEU 25 5.716 1.083 -1.683
202 HD11 LEU 25 1HD1 LEU 25 6.667 2.864 0.627
203 HD12 LEU 25 2HD1 LEU 25 5.208 2.733 1.609
204 HD13 LEU 25 3HD1 LEU 25 5.082 2.972 -0.133
205 HD21 LEU 25 3HD2 LEU 25 3.627 0.946 -0.258
206 HD22 LEU 25 1HD2 LEU 25 3.802 0.639 1.468
207 HD23 LEU 25 2HD2 LEU 25 4.237 -0.609 0.302
208 HA PRO 26 HA PRO 26 6.705 -2.386 -5.108
209 HB2 PRO 26 2HB PRO 26 4.468 -1.469 -6.410
210 HB3 PRO 26 1HB PRO 26 4.543 -3.003 -5.542
211 HG2 PRO 26 2HG PRO 26 3.443 -0.373 -4.651
212 HG3 PRO 26 1HG PRO 26 2.789 -2.003 -4.409
213 HD2 PRO 26 2HD PRO 26 4.096 -0.689 -2.461
214 HD3 PRO 26 1HD PRO 26 4.217 -2.452 -2.648
215 HA PRO 27 HA PRO 27 8.644 1.223 -6.705
216 HB2 PRO 27 2HB PRO 27 8.851 0.466 -9.339
217 HB3 PRO 27 1HB PRO 27 9.940 -0.077 -8.060
218 HG2 PRO 27 2HG PRO 27 7.576 -1.465 -9.254
219 HG3 PRO 27 1HG PRO 27 9.159 -2.129 -8.802
220 HD2 PRO 27 2HD PRO 27 6.999 -2.472 -7.248
221 HD3 PRO 27 1HD PRO 27 8.613 -2.222 -6.548
222 H LEU 28 H LEU 28 8.287 3.058 -7.998
223 HA LEU 28 HA LEU 28 5.534 3.701 -8.371
224 HG LEU 28 HG LEU 28 7.996 4.942 -6.808
225 HB2 LEU 28 2HB LEU 28 7.996 5.215 -9.248
226 HB3 LEU 28 1HB LEU 28 6.369 5.868 -9.180
227 HD11 LEU 28 1HD1 LEU 28 8.870 6.991 -7.741
228 HD12 LEU 28 2HD1 LEU 28 8.040 7.325 -6.222
229 HD13 LEU 28 3HD1 LEU 28 7.256 7.705 -7.755
230 HD21 LEU 28 3HD2 LEU 28 5.609 4.588 -6.457
231 HD22 LEU 28 1HD2 LEU 28 5.281 6.258 -6.924
232 HD23 LEU 28 2HD2 LEU 28 6.200 5.914 -5.458
233 H ASP 29 H ASP 29 7.701 2.056 -10.301
234 HA ASP 29 HA ASP 29 6.750 3.012 -12.857
235 HB2 ASP 29 2HB ASP 29 8.475 0.605 -12.238
236 HB3 ASP 29 1HB ASP 29 8.212 1.312 -13.827
237 H THR 30 H THR 30 5.585 0.943 -10.530
238 HA THR 30 HA THR 30 4.455 -1.042 -12.274
239 HB THR 30 HB THR 30 3.922 -0.449 -9.352
240 HG1 THR 30 HG1 THR 30 5.895 -1.767 -10.684
241 HG21 THR 30 3HG2 THR 30 2.007 -1.573 -10.359
242 HG22 THR 30 1HG2 THR 30 2.883 -2.686 -9.309
243 HG23 THR 30 2HG2 THR 30 3.068 -2.793 -11.059
244 H ARG 31 H ARG 31 3.085 -0.124 -13.742
245 HA ARG 31 HA ARG 31 0.759 1.285 -12.642
246 HE ARG 31 HE ARG 31 -1.677 4.317 -14.304
247 HB2 ARG 31 2HB ARG 31 2.216 1.877 -14.870
248 HB3 ARG 31 1HB ARG 31 0.938 0.887 -15.564
249 HG2 ARG 31 2HG ARG 31 0.489 3.326 -13.852
250 HG3 ARG 31 1HG ARG 31 0.431 3.299 -15.614
251 HD2 ARG 31 2HD ARG 31 -1.451 1.819 -15.590
252 HD3 ARG 31 1HD ARG 31 -1.321 1.599 -13.847
253 HH11 ARG 31 1HH1 ARG 31 -3.441 1.350 -14.837
254 HH12 ARG 31 2HH1 ARG 31 -5.005 2.081 -14.662
255 HH21 ARG 31 1HH2 ARG 31 -3.737 5.299 -14.033
256 HH22 ARG 31 2HH2 ARG 31 -5.173 4.328 -14.179
257 H ARG 32 H ARG 32 1.792 -1.602 -14.351
258 HA ARG 32 HA ARG 32 -0.864 -2.687 -14.509
259 HE ARG 32 HE ARG 32 -1.797 -6.822 -16.246
260 HB2 ARG 32 2HB ARG 32 1.271 -3.274 -15.937
261 HB3 ARG 32 1HB ARG 32 1.601 -4.392 -14.623
262 HG2 ARG 32 2HG ARG 32 -0.959 -4.351 -16.204
263 HG3 ARG 32 1HG ARG 32 0.413 -5.399 -16.560
264 HD2 ARG 32 2HD ARG 32 0.172 -6.564 -14.517
265 HD3 ARG 32 1HD ARG 32 -0.941 -5.359 -13.876
266 HH11 ARG 32 1HH1 ARG 32 -1.944 -6.400 -12.786
267 HH12 ARG 32 2HH1 ARG 32 -3.417 -7.296 -12.595
268 HH21 ARG 32 1HH2 ARG 32 -3.756 -8.009 -16.012
269 HH22 ARG 32 2HH2 ARG 32 -4.456 -8.202 -14.430
270 H TRP 33 H TRP 33 -1.514 -2.329 -12.372
271 HA TRP 33 HA TRP 33 -0.096 -3.401 -10.133
272 HD1 TRP 33 HD1 TRP 33 -1.896 0.160 -11.230
273 HE1 TRP 33 HE1 TRP 33 -0.462 1.951 -10.058
274 HE3 TRP 33 HE3 TRP 33 -0.297 -2.575 -7.221
275 HZ2 TRP 33 HZ2 TRP 33 1.121 2.172 -7.742
276 HZ3 TRP 33 HZ3 TRP 33 1.168 -1.497 -5.570
277 HH2 TRP 33 HH2 TRP 33 1.865 0.829 -5.830
278 HB2 TRP 33 2HB TRP 33 -2.825 -2.182 -10.461
279 HB3 TRP 33 1HB TRP 33 -2.265 -2.817 -8.919
280 H VAL 34 H VAL 34 -0.002 -5.461 -9.615
281 HA VAL 34 HA VAL 34 -2.309 -7.195 -10.062
282 HB VAL 34 HB VAL 34 -0.834 -9.035 -9.281
283 HG11 VAL 34 1HG1 VAL 34 0.305 -7.361 -11.514
284 HG12 VAL 34 2HG1 VAL 34 -1.003 -8.536 -11.654
285 HG13 VAL 34 3HG1 VAL 34 0.625 -9.075 -11.244
286 HG21 VAL 34 3HG2 VAL 34 1.572 -8.620 -9.032
287 HG22 VAL 34 1HG2 VAL 34 0.629 -7.767 -7.809
288 HG23 VAL 34 2HG2 VAL 34 1.283 -6.886 -9.190
289 H ALA 35 H ALA 35 -2.924 -8.641 -8.202
290 HA ALA 35 HA ALA 35 -3.924 -7.073 -6.142
291 HB1 ALA 35 3HB ALA 35 -4.915 -9.196 -6.820
292 HB2 ALA 35 1HB ALA 35 -4.625 -9.146 -5.081
293 HB3 ALA 35 2HB ALA 35 -3.541 -10.060 -6.130
294 H SER 36 H SER 36 -1.041 -9.148 -6.140
295 HA SER 36 HA SER 36 -0.521 -8.982 -3.385
296 HG SER 36 HG SER 36 2.276 -9.446 -6.183
297 HB2 SER 36 2HB SER 36 1.860 -9.568 -4.137
298 HB3 SER 36 1HB SER 36 0.577 -10.690 -4.577
299 H ARG 37 H ARG 37 0.631 -6.956 -6.074
300 HA ARG 37 HA ARG 37 2.277 -5.316 -4.419
301 HE ARG 37 HE ARG 37 4.713 -6.950 -8.478
302 HB2 ARG 37 2HB ARG 37 1.146 -4.775 -7.171
303 HB3 ARG 37 1HB ARG 37 2.367 -3.792 -6.373
304 HG2 ARG 37 2HG ARG 37 3.816 -5.832 -6.267
305 HG3 ARG 37 1HG ARG 37 2.622 -6.649 -7.274
306 HD2 ARG 37 2HD ARG 37 2.940 -4.854 -8.977
307 HD3 ARG 37 1HD ARG 37 4.256 -4.218 -7.993
308 HH11 ARG 37 1HH1 ARG 37 4.830 -3.846 -10.110
309 HH12 ARG 37 2HH1 ARG 37 5.919 -4.403 -11.342
310 HH21 ARG 37 1HH2 ARG 37 6.140 -7.667 -10.099
311 HH22 ARG 37 2HH2 ARG 37 6.653 -6.567 -11.344
312 H LYS 38 H LYS 38 -1.057 -5.108 -5.555
313 HA LYS 38 HA LYS 38 -1.647 -2.552 -4.519
314 HB2 LYS 38 2HB LYS 38 -3.409 -4.967 -4.953
315 HB3 LYS 38 1HB LYS 38 -4.027 -3.415 -4.414
316 HG2 LYS 38 2HG LYS 38 -2.973 -2.442 -6.513
317 HG3 LYS 38 1HG LYS 38 -2.785 -4.112 -7.051
318 HD2 LYS 38 2HD LYS 38 -5.167 -4.475 -6.912
319 HD3 LYS 38 1HD LYS 38 -5.406 -2.871 -6.216
320 HE2 LYS 38 2HE LYS 38 -4.430 -1.924 -8.330
321 HE3 LYS 38 1HE LYS 38 -4.484 -3.553 -9.001
322 HZ1 LYS 38 3HZ LYS 38 -6.413 -2.318 -9.677
323 HZ2 LYS 38 1HZ LYS 38 -6.811 -1.961 -8.068
324 HZ3 LYS 38 2HZ LYS 38 -6.895 -3.560 -8.623
325 H ALA 39 H ALA 39 -1.844 -5.780 -3.101
326 HA ALA 39 HA ALA 39 -2.920 -5.107 -0.621
327 HB1 ALA 39 3HB ALA 39 -1.997 -7.222 0.168
328 HB2 ALA 39 1HB ALA 39 -0.961 -7.313 -1.256
329 HB3 ALA 39 2HB ALA 39 -2.713 -7.407 -1.431
330 H ALA 40 H ALA 40 0.453 -5.186 -1.695
331 HA ALA 40 HA ALA 40 1.688 -4.724 0.758
332 HB1 ALA 40 3HB ALA 40 2.581 -3.766 -1.958
333 HB2 ALA 40 1HB ALA 40 2.886 -5.366 -1.284
334 HB3 ALA 40 2HB ALA 40 3.597 -3.939 -0.528
335 H VAL 41 H VAL 41 0.406 -2.430 -1.613
336 HA VAL 41 HA VAL 41 1.271 -0.080 -0.300
337 HB VAL 41 HB VAL 41 -1.065 -0.441 -2.179
338 HG11 VAL 41 1HG1 VAL 41 -0.822 1.966 -2.600
339 HG12 VAL 41 2HG1 VAL 41 0.404 2.052 -1.336
340 HG13 VAL 41 3HG1 VAL 41 -1.256 1.630 -0.925
341 HG21 VAL 41 3HG2 VAL 41 1.769 0.411 -2.724
342 HG22 VAL 41 1HG2 VAL 41 0.466 0.331 -3.908
343 HG23 VAL 41 2HG2 VAL 41 1.059 -1.145 -3.149
344 H VAL 42 H VAL 42 -1.880 -1.743 -0.309
345 HA VAL 42 HA VAL 42 -3.083 0.181 1.391
346 HB VAL 42 HB VAL 42 -4.377 -1.214 -0.179
347 HG11 VAL 42 1HG1 VAL 42 -4.982 -3.503 0.452
348 HG12 VAL 42 2HG1 VAL 42 -3.820 -3.432 1.776
349 HG13 VAL 42 3HG1 VAL 42 -3.262 -3.339 0.106
350 HG21 VAL 42 3HG2 VAL 42 -5.466 -0.076 1.689
351 HG22 VAL 42 1HG2 VAL 42 -5.224 -1.504 2.695
352 HG23 VAL 42 2HG2 VAL 42 -6.277 -1.587 1.283
353 H LYS 43 H LYS 43 -1.511 -2.942 1.998
354 HA LYS 43 HA LYS 43 -2.212 -3.162 4.717
355 HB2 LYS 43 2HB LYS 43 0.187 -4.171 3.191
356 HB3 LYS 43 1HB LYS 43 -0.071 -4.523 4.894
357 HG2 LYS 43 2HG LYS 43 -2.179 -5.635 4.341
358 HG3 LYS 43 1HG LYS 43 -1.907 -5.294 2.631
359 HD2 LYS 43 2HD LYS 43 0.167 -6.610 2.713
360 HD3 LYS 43 1HD LYS 43 -0.131 -6.961 4.414
361 HE2 LYS 43 2HE LYS 43 -2.212 -8.109 3.801
362 HE3 LYS 43 1HE LYS 43 -1.895 -7.766 2.103
363 HZ1 LYS 43 3HZ LYS 43 0.214 -9.038 2.365
364 HZ2 LYS 43 1HZ LYS 43 -1.189 -9.971 2.542
365 HZ3 LYS 43 2HZ LYS 43 -0.305 -9.510 3.910
366 H ALA 44 H ALA 44 0.289 -1.369 3.054
367 HA ALA 44 HA ALA 44 1.806 -0.596 5.295
368 HB1 ALA 44 3HB ALA 44 2.672 1.191 3.878
369 HB2 ALA 44 1HB ALA 44 1.390 0.894 2.702
370 HB3 ALA 44 2HB ALA 44 2.616 -0.339 3.004
371 H VAL 45 H VAL 45 -0.968 0.920 3.693
372 HA VAL 45 HA VAL 45 -1.051 3.208 5.369
373 HB VAL 45 HB VAL 45 -3.288 1.938 3.777
374 HG11 VAL 45 1HG1 VAL 45 -3.040 4.713 4.939
375 HG12 VAL 45 2HG1 VAL 45 -4.154 3.450 5.467
376 HG13 VAL 45 3HG1 VAL 45 -4.327 4.163 3.864
377 HG21 VAL 45 3HG2 VAL 45 -2.738 3.632 2.079
378 HG22 VAL 45 1HG2 VAL 45 -1.402 2.517 2.367
379 HG23 VAL 45 2HG2 VAL 45 -1.358 4.141 3.053
380 H ILE 46 H ILE 46 -2.675 0.074 5.466
381 HA ILE 46 HA ILE 46 -4.378 0.662 7.642
382 HB ILE 46 HB ILE 46 -3.420 -1.986 6.547
383 HG12 ILE 46 2HG1 ILE 46 -6.015 -0.453 6.230
384 HG13 ILE 46 1HG1 ILE 46 -4.760 -0.615 5.008
385 HG21 ILE 46 1HG2 ILE 46 -5.609 -1.456 8.562
386 HG22 ILE 46 2HG2 ILE 46 -4.081 -2.279 8.875
387 HG23 ILE 46 3HG2 ILE 46 -5.271 -3.011 7.798
388 HD11 ILE 46 3HD1 ILE 46 -5.178 -3.016 4.898
389 HD12 ILE 46 1HD1 ILE 46 -6.636 -2.082 4.556
390 HD13 ILE 46 2HD1 ILE 46 -6.430 -2.855 6.130
391 H HIS 47 H HIS 47 -1.129 -0.756 7.484
392 HA HIS 47 HA HIS 47 -1.118 -1.248 10.336
393 HD1 HIS 47 HD1 HIS 47 -0.851 -3.593 10.865
394 HD2 HIS 47 HD2 HIS 47 0.589 -3.878 6.971
395 HE1 HIS 47 HE1 HIS 47 -1.581 -5.851 10.030
396 HE2 HIS 47 HE2 HIS 47 -0.533 -6.064 7.754
397 HB2 HIS 47 2HB HIS 47 1.029 -1.556 8.245
398 HB3 HIS 47 1HB HIS 47 1.290 -1.883 9.955
399 H GLY 48 H GLY 48 -0.393 1.382 8.311
400 HA2 GLY 48 2HA GLY 48 -0.085 3.555 9.181
401 HA3 GLY 48 1HA GLY 48 0.517 2.846 10.669
402 H LEU 49 H LEU 49 1.758 1.681 7.662
403 HA LEU 49 HA LEU 49 4.408 2.618 8.257
404 HG LEU 49 HG LEU 49 5.491 2.455 5.390
405 HB2 LEU 49 2HB LEU 49 4.017 0.470 7.118
406 HB3 LEU 49 1HB LEU 49 3.277 1.315 5.774
407 HD11 LEU 49 1HD1 LEU 49 7.476 1.384 6.326
408 HD12 LEU 49 2HD1 LEU 49 6.446 0.362 7.333
409 HD13 LEU 49 3HD1 LEU 49 6.471 2.109 7.582
410 HD21 LEU 49 3HD2 LEU 49 5.392 -0.548 5.172
411 HD22 LEU 49 1HD2 LEU 49 6.487 0.511 4.281
412 HD23 LEU 49 2HD2 LEU 49 4.747 0.606 4.005
413 H ILE 50 H ILE 50 1.952 3.293 5.828
414 HA ILE 50 HA ILE 50 3.043 6.002 5.531
415 HB ILE 50 HB ILE 50 2.491 6.026 3.160
416 HG12 ILE 50 2HG1 ILE 50 1.920 3.065 3.354
417 HG13 ILE 50 1HG1 ILE 50 0.657 4.292 3.391
418 HG21 ILE 50 1HG2 ILE 50 4.256 3.674 3.842
419 HG22 ILE 50 2HG2 ILE 50 4.755 5.364 3.786
420 HG23 ILE 50 3HG2 ILE 50 4.242 4.547 2.310
421 HD11 ILE 50 3HD1 ILE 50 0.906 3.334 1.175
422 HD12 ILE 50 1HD1 ILE 50 2.596 3.836 1.135
423 HD13 ILE 50 2HD1 ILE 50 1.315 5.048 1.177
424 H THR 51 H THR 51 1.308 7.466 4.546
425 HA THR 51 HA THR 51 -1.249 6.784 5.773
426 HB THR 51 HB THR 51 -0.420 8.943 6.429
427 HG1 THR 51 HG1 THR 51 -2.705 8.765 5.994
428 HG21 THR 51 3HG2 THR 51 0.049 10.742 4.889
429 HG22 THR 51 1HG2 THR 51 -0.387 9.725 3.516
430 HG23 THR 51 2HG2 THR 51 1.042 9.344 4.475
431 H GLU 52 H GLU 52 -3.232 7.217 4.615
432 HA GLU 52 HA GLU 52 -3.387 5.906 2.163
433 HB2 GLU 52 2HB GLU 52 -5.234 6.274 3.829
434 HB3 GLU 52 1HB GLU 52 -5.359 7.923 3.237
435 HG2 GLU 52 2HG GLU 52 -5.942 7.092 1.025
436 HG3 GLU 52 1HG GLU 52 -5.793 5.433 1.606
437 H ARG 53 H ARG 53 -3.237 9.351 2.907
438 HA ARG 53 HA ARG 53 -3.667 10.226 0.237
439 HE ARG 53 HE ARG 53 -6.995 11.278 2.595
440 HB2 ARG 53 2HB ARG 53 -2.431 11.655 2.596
441 HB3 ARG 53 1HB ARG 53 -2.890 12.428 1.081
442 HG2 ARG 53 2HG ARG 53 -4.756 11.012 2.978
443 HG3 ARG 53 1HG ARG 53 -4.586 12.760 2.801
444 HD2 ARG 53 2HD ARG 53 -5.568 12.769 0.697
445 HD3 ARG 53 1HD ARG 53 -5.245 11.058 0.429
446 HH11 ARG 53 1HH1 ARG 53 -7.004 12.025 -0.827
447 HH12 ARG 53 2HH1 ARG 53 -8.689 11.631 -1.038
448 HH21 ARG 53 1HH2 ARG 53 -9.184 10.709 2.317
449 HH22 ARG 53 2HH2 ARG 53 -9.928 10.847 0.744
450 H GLU 54 H GLU 54 -0.910 9.104 1.960
451 HA GLU 54 HA GLU 54 1.112 10.101 0.224
452 HB2 GLU 54 2HB GLU 54 1.826 9.303 2.344
453 HB3 GLU 54 1HB GLU 54 0.952 7.793 2.162
454 HG2 GLU 54 2HG GLU 54 3.217 7.257 1.926
455 HG3 GLU 54 1HG GLU 54 2.550 7.231 0.297
456 H ALA 55 H ALA 55 -0.717 7.083 0.436
457 HA ALA 55 HA ALA 55 0.533 5.788 -1.741
458 HB1 ALA 55 3HB ALA 55 -1.316 4.208 -1.622
459 HB2 ALA 55 1HB ALA 55 -2.224 5.329 -0.606
460 HB3 ALA 55 2HB ALA 55 -0.733 4.604 -0.005
461 H LEU 56 H LEU 56 -2.478 7.645 -1.502
462 HA LEU 56 HA LEU 56 -3.297 7.315 -4.175
463 HG LEU 56 HG LEU 56 -4.547 7.491 -1.303
464 HB2 LEU 56 2HB LEU 56 -3.856 9.651 -2.343
465 HB3 LEU 56 1HB LEU 56 -4.769 9.211 -3.772
466 HD11 LEU 56 1HD1 LEU 56 -6.776 9.301 -2.215
467 HD12 LEU 56 2HD1 LEU 56 -5.736 9.550 -0.812
468 HD13 LEU 56 3HD1 LEU 56 -6.848 8.181 -0.854
469 HD21 LEU 56 3HD2 LEU 56 -4.979 6.207 -3.311
470 HD22 LEU 56 1HD2 LEU 56 -6.298 7.295 -3.747
471 HD23 LEU 56 2HD2 LEU 56 -6.430 6.280 -2.310
472 H ASP 57 H ASP 57 -1.058 9.510 -2.668
473 HA ASP 57 HA ASP 57 -0.894 11.280 -4.924
474 HB2 ASP 57 2HB ASP 57 -0.490 12.155 -2.709
475 HB3 ASP 57 1HB ASP 57 0.804 10.993 -2.442
476 H ARG 58 H ARG 58 1.423 9.035 -3.405
477 HA ARG 58 HA ARG 58 3.409 9.430 -5.370
478 HE ARG 58 HE ARG 58 4.842 4.643 -3.062
479 HB2 ARG 58 2HB ARG 58 4.568 7.537 -4.347
480 HB3 ARG 58 1HB ARG 58 3.951 8.644 -3.129
481 HG2 ARG 58 2HG ARG 58 2.035 7.118 -2.780
482 HG3 ARG 58 1HG ARG 58 2.771 5.991 -3.921
483 HD2 ARG 58 2HD ARG 58 4.127 6.984 -1.419
484 HD3 ARG 58 1HD ARG 58 3.199 5.488 -1.504
485 HH11 ARG 58 1HH1 ARG 58 5.712 7.555 -1.325
486 HH12 ARG 58 2HH1 ARG 58 7.425 7.319 -1.525
487 HH21 ARG 58 1HH2 ARG 58 7.084 4.325 -3.334
488 HH22 ARG 58 2HH2 ARG 58 8.209 5.482 -2.691
489 H TYR 59 H TYR 59 0.739 7.162 -5.192
490 HA TYR 59 HA TYR 59 1.792 5.810 -7.580
491 HD1 TYR 59 HD2 TYR 59 2.866 3.797 -7.075
492 HD2 TYR 59 HD1 TYR 59 0.318 4.154 -3.684
493 HE1 TYR 59 HE2 TYR 59 4.577 2.711 -5.678
494 HE2 TYR 59 HE1 TYR 59 2.026 3.075 -2.284
495 HH TYR 59 HH TYR 59 3.981 1.498 -2.645
496 HB2 TYR 59 2HB TYR 59 -0.426 4.954 -5.710
497 HB3 TYR 59 1HB TYR 59 0.131 4.045 -7.111
498 H SER 60 H SER 60 -0.058 8.368 -6.928
499 HA SER 60 HA SER 60 -1.654 9.552 -8.029
500 HG SER 60 HG SER 60 0.591 9.532 -8.959
501 HB2 SER 60 2HB SER 60 -0.921 7.819 -10.401
502 HB3 SER 60 1HB SER 60 -1.609 9.444 -10.439
503 H LEU 61 H LEU 61 -2.837 7.813 -6.495
504 HA LEU 61 HA LEU 61 -4.755 6.281 -8.117
505 HG LEU 61 HG LEU 61 -2.289 5.141 -6.635
506 HB2 LEU 61 2HB LEU 61 -4.094 6.057 -5.177
507 HB3 LEU 61 1HB LEU 61 -5.243 5.054 -6.042
508 HD11 LEU 61 1HD1 LEU 61 -3.891 3.169 -5.016
509 HD12 LEU 61 2HD1 LEU 61 -2.641 4.259 -4.414
510 HD13 LEU 61 3HD1 LEU 61 -2.214 2.951 -5.517
511 HD21 LEU 61 3HD2 LEU 61 -4.474 3.275 -7.550
512 HD22 LEU 61 1HD2 LEU 61 -2.755 3.088 -7.895
513 HD23 LEU 61 2HD2 LEU 61 -3.639 4.470 -8.540
514 H SER 62 H SER 62 -6.954 6.518 -7.764
515 HA SER 62 HA SER 62 -7.765 8.981 -6.430
516 HG SER 62 HG SER 62 -9.074 8.244 -9.778
517 HB2 SER 62 2HB SER 62 -9.467 7.016 -7.984
518 HB3 SER 62 1HB SER 62 -9.883 8.674 -7.553
519 H GLU 63 H GLU 63 -9.675 8.930 -4.999
520 HA GLU 63 HA GLU 63 -9.306 7.165 -2.859
521 HB2 GLU 63 2HB GLU 63 -10.341 9.521 -2.922
522 HB3 GLU 63 1HB GLU 63 -11.832 8.711 -3.388
523 HG2 GLU 63 2HG GLU 63 -11.812 7.432 -1.345
524 HG3 GLU 63 1HG GLU 63 -10.272 8.159 -0.892
525 H GLU 64 H GLU 64 -11.559 7.194 -5.555
526 HA GLU 64 HA GLU 64 -13.252 5.100 -4.824
527 HB2 GLU 64 2HB GLU 64 -13.668 4.857 -7.254
528 HB3 GLU 64 1HB GLU 64 -13.725 6.532 -6.721
529 HG2 GLU 64 2HG GLU 64 -11.458 6.880 -7.574
530 HG3 GLU 64 1HG GLU 64 -11.401 5.202 -8.105
531 H GLU 65 H GLU 65 -10.044 5.045 -6.229
532 HA GLU 65 HA GLU 65 -10.066 2.278 -6.937
533 HB2 GLU 65 2HB GLU 65 -8.648 3.947 -8.073
534 HB3 GLU 65 1HB GLU 65 -7.758 4.203 -6.584
535 HG2 GLU 65 2HG GLU 65 -6.462 2.819 -8.038
536 HG3 GLU 65 1HG GLU 65 -7.002 1.853 -6.671
537 H PHE 66 H PHE 66 -8.486 4.148 -4.339
538 HA PHE 66 HA PHE 66 -7.291 1.941 -3.078
539 HD1 PHE 66 HD1 PHE 66 -4.809 3.001 -1.986
540 HD2 PHE 66 HD2 PHE 66 -8.212 3.622 0.490
541 HE1 PHE 66 HE1 PHE 66 -3.524 2.235 -0.033
542 HE2 PHE 66 HE2 PHE 66 -6.930 2.862 2.448
543 HZ PHE 66 HZ PHE 66 -4.586 2.166 2.187
544 HB2 PHE 66 2HB PHE 66 -6.705 4.364 -2.725
545 HB3 PHE 66 1HB PHE 66 -8.149 4.502 -1.728
546 H ALA 67 H ALA 67 -10.498 3.333 -2.802
547 HA ALA 67 HA ALA 67 -11.378 2.047 -0.480
548 HB1 ALA 67 3HB ALA 67 -12.993 2.667 -2.955
549 HB2 ALA 67 1HB ALA 67 -12.647 3.805 -1.651
550 HB3 ALA 67 2HB ALA 67 -13.625 2.373 -1.335
551 H LEU 68 H LEU 68 -11.275 0.961 -3.832
552 HA LEU 68 HA LEU 68 -12.504 -1.553 -3.402
553 HG LEU 68 HG LEU 68 -12.523 0.710 -5.620
554 HB2 LEU 68 2HB LEU 68 -10.530 -0.756 -5.546
555 HB3 LEU 68 1HB LEU 68 -11.579 -2.159 -5.585
556 HD11 LEU 68 1HD1 LEU 68 -12.378 -1.338 -7.827
557 HD12 LEU 68 2HD1 LEU 68 -11.375 0.102 -7.681
558 HD13 LEU 68 3HD1 LEU 68 -13.110 0.260 -7.952
559 HD21 LEU 68 3HD2 LEU 68 -14.703 -0.269 -6.152
560 HD22 LEU 68 1HD2 LEU 68 -14.124 -0.786 -4.568
561 HD23 LEU 68 2HD2 LEU 68 -14.023 -1.883 -5.946
562 H TRP 69 H TRP 69 -9.132 -0.478 -3.545
563 HA TRP 69 HA TRP 69 -7.815 -2.902 -3.295
564 HD1 TRP 69 HD1 TRP 69 -8.099 -0.840 -5.220
565 HE1 TRP 69 HE1 TRP 69 -6.534 -0.146 -7.136
566 HE3 TRP 69 HE3 TRP 69 -3.715 -0.594 -2.609
567 HZ2 TRP 69 HZ2 TRP 69 -3.780 0.412 -7.490
568 HZ3 TRP 69 HZ3 TRP 69 -1.662 0.021 -3.810
569 HH2 TRP 69 HH2 TRP 69 -1.694 0.510 -6.198
570 HB2 TRP 69 2HB TRP 69 -7.077 -0.205 -2.147
571 HB3 TRP 69 1HB TRP 69 -6.002 -1.595 -2.113
572 H ARG 70 H ARG 70 -8.776 -0.743 -0.629
573 HA ARG 70 HA ARG 70 -7.828 -2.478 1.386
574 HE ARG 70 HE ARG 70 -9.044 1.441 3.875
575 HB2 ARG 70 2HB ARG 70 -8.943 -1.020 2.964
576 HB3 ARG 70 1HB ARG 70 -8.152 -0.057 1.727
577 HG2 ARG 70 2HG ARG 70 -10.451 -0.014 0.582
578 HG3 ARG 70 1HG ARG 70 -11.075 -0.553 2.142
579 HD2 ARG 70 2HD ARG 70 -9.470 1.943 1.628
580 HD3 ARG 70 1HD ARG 70 -11.201 1.872 1.942
581 HH11 ARG 70 1HH1 ARG 70 -12.480 1.667 3.207
582 HH12 ARG 70 2HH1 ARG 70 -12.905 1.960 4.869
583 HH21 ARG 70 1HH2 ARG 70 -9.600 1.847 6.037
584 HH22 ARG 70 2HH2 ARG 70 -11.268 2.058 6.482
585 H SER 71 H SER 71 -10.903 -2.283 -0.267
586 HA SER 71 HA SER 71 -12.310 -3.892 1.644
587 HG SER 71 HG SER 71 -12.961 -1.342 -0.179
588 HB2 SER 71 2HB SER 71 -13.021 -3.264 -1.233
589 HB3 SER 71 1HB SER 71 -14.112 -3.918 -0.011
590 H ALA 72 H ALA 72 -10.444 -4.523 -1.259
591 HA ALA 72 HA ALA 72 -11.287 -7.283 -1.412
592 HB1 ALA 72 3HB ALA 72 -10.669 -6.037 -3.433
593 HB2 ALA 72 1HB ALA 72 -9.672 -7.476 -3.221
594 HB3 ALA 72 2HB ALA 72 -9.020 -5.885 -2.830
595 H VAL 73 H VAL 73 -8.376 -5.547 -0.357
596 HA VAL 73 HA VAL 73 -6.923 -7.948 0.177
597 HB VAL 73 HB VAL 73 -6.357 -5.120 1.079
598 HG11 VAL 73 1HG1 VAL 73 -4.568 -7.554 1.034
599 HG12 VAL 73 2HG1 VAL 73 -5.197 -6.753 2.474
600 HG13 VAL 73 3HG1 VAL 73 -4.055 -5.911 1.424
601 HG21 VAL 73 3HG2 VAL 73 -6.437 -5.363 -1.348
602 HG22 VAL 73 1HG2 VAL 73 -5.299 -6.707 -1.258
603 HG23 VAL 73 2HG2 VAL 73 -4.786 -5.085 -0.795
604 H ALA 74 H ALA 74 -8.834 -5.739 2.185
605 HA ALA 74 HA ALA 74 -8.112 -6.945 4.658
606 HB1 ALA 74 3HB ALA 74 -10.610 -5.396 3.991
607 HB2 ALA 74 1HB ALA 74 -9.080 -4.697 4.521
608 HB3 ALA 74 2HB ALA 74 -9.994 -5.744 5.607
609 H ALA 75 H ALA 75 -10.542 -7.616 2.243
610 HA ALA 75 HA ALA 75 -11.945 -9.560 3.823
611 HB1 ALA 75 3HB ALA 75 -13.219 -9.993 1.810
612 HB2 ALA 75 1HB ALA 75 -12.048 -9.089 0.846
613 HB3 ALA 75 2HB ALA 75 -13.041 -8.253 2.040
614 H HIS 76 H HIS 76 -9.130 -9.535 1.882
615 HA HIS 76 HA HIS 76 -9.028 -12.257 1.149
616 HD1 HIS 76 HD1 HIS 76 -6.604 -12.490 -1.280
617 HD2 HIS 76 HD2 HIS 76 -5.082 -12.371 2.597
618 HE1 HIS 76 HE1 HIS 76 -4.706 -14.145 -1.234
619 HE2 HIS 76 HE2 HIS 76 -3.899 -14.160 1.155
620 HB2 HIS 76 2HB HIS 76 -7.575 -10.610 0.097
621 HB3 HIS 76 1HB HIS 76 -6.810 -10.254 1.640
622 H GLY 77 H GLY 77 -8.572 -14.037 2.336
623 HA2 GLY 77 2HA GLY 77 -7.888 -15.352 4.101
624 HA3 GLY 77 1HA GLY 77 -6.969 -13.977 4.702
625 H GLU 78 H GLU 78 -10.396 -14.030 4.038
626 HA GLU 78 HA GLU 78 -11.223 -12.741 6.334
627 HB2 GLU 78 2HB GLU 78 -13.482 -13.724 5.781
628 HB3 GLU 78 1HB GLU 78 -12.688 -12.865 4.466
629 HG2 GLU 78 2HG GLU 78 -12.117 -14.866 3.365
630 HG3 GLU 78 1HG GLU 78 -12.481 -15.842 4.785
631 H LYS 79 H LYS 79 -10.482 -16.112 5.903
632 HA LYS 79 HA LYS 79 -12.028 -16.874 8.259
633 HB2 LYS 79 2HB LYS 79 -10.475 -18.692 6.422
634 HB3 LYS 79 1HB LYS 79 -11.768 -19.131 7.531
635 HG2 LYS 79 2HG LYS 79 -13.329 -17.766 6.161
636 HG3 LYS 79 1HG LYS 79 -12.016 -17.513 5.008
637 HD2 LYS 79 2HD LYS 79 -11.845 -20.003 4.797
638 HD3 LYS 79 1HD LYS 79 -13.308 -20.126 5.773
639 HE2 LYS 79 2HE LYS 79 -13.050 -18.706 3.126
640 HE3 LYS 79 1HE LYS 79 -13.819 -20.266 3.391
641 HZ1 LYS 79 3HZ LYS 79 -15.366 -19.054 4.951
642 HZ2 LYS 79 1HZ LYS 79 -15.537 -18.693 3.301
643 HZ3 LYS 79 2HZ LYS 79 -14.738 -17.603 4.324
644 H ALA 80 H ALA 80 -9.151 -15.564 7.837
645 HA ALA 80 HA ALA 80 -7.842 -17.205 9.906
646 HB1 ALA 80 3HB ALA 80 -5.753 -16.125 9.228
647 HB2 ALA 80 1HB ALA 80 -6.627 -15.182 8.020
648 HB3 ALA 80 2HB ALA 80 -6.522 -16.937 7.866
649 H LEU 81 H LEU 81 -8.140 -16.427 11.896
650 HA LEU 81 HA LEU 81 -8.412 -13.511 12.189
651 HG LEU 81 HG LEU 81 -10.844 -13.473 12.225
652 HB2 LEU 81 2HB LEU 81 -9.637 -15.732 13.814
653 HB3 LEU 81 1HB LEU 81 -9.582 -14.074 14.374
654 HD11 LEU 81 1HD1 LEU 81 -11.345 -16.447 12.254
655 HD12 LEU 81 2HD1 LEU 81 -10.483 -15.545 11.007
656 HD13 LEU 81 3HD1 LEU 81 -12.206 -15.269 11.263
657 HD21 LEU 81 3HD2 LEU 81 -11.877 -13.429 14.418
658 HD22 LEU 81 1HD2 LEU 81 -12.174 -15.165 14.335
659 HD23 LEU 81 2HD2 LEU 81 -13.004 -14.076 13.225
660 H LYS 82 H LYS 82 -5.973 -13.832 12.092
661 HA LYS 82 HA LYS 82 -4.738 -14.552 14.603
662 HB2 LYS 82 2HB LYS 82 -3.606 -14.807 12.367
663 HB3 LYS 82 1HB LYS 82 -3.555 -13.056 12.249
664 HG2 LYS 82 2HG LYS 82 -2.196 -13.003 14.318
665 HG3 LYS 82 1HG LYS 82 -2.171 -14.766 14.300
666 HD2 LYS 82 2HD LYS 82 -1.072 -14.721 12.110
667 HD3 LYS 82 1HD LYS 82 -1.096 -12.957 12.139
668 HE2 LYS 82 2HE LYS 82 0.271 -13.012 14.199
669 HE3 LYS 82 1HE LYS 82 0.354 -14.768 14.064
670 HZ1 LYS 82 3HZ LYS 82 1.431 -14.480 11.891
671 HZ2 LYS 82 1HZ LYS 82 2.334 -13.776 13.146
672 HZ3 LYS 82 2HZ LYS 82 1.415 -12.795 12.113
673 H VAL 83 H VAL 83 -3.444 -12.911 15.817
674 HA VAL 83 HA VAL 83 -5.008 -10.850 16.764
675 HB VAL 83 HB VAL 83 -3.094 -11.766 17.981
676 HG11 VAL 83 1HG1 VAL 83 -1.499 -11.964 16.168
677 HG12 VAL 83 2HG1 VAL 83 -0.819 -11.012 17.487
678 HG13 VAL 83 3HG1 VAL 83 -1.407 -10.208 16.032
679 HG21 VAL 83 3HG2 VAL 83 -2.943 -8.787 17.561
680 HG22 VAL 83 1HG2 VAL 83 -2.232 -9.663 18.917
681 HG23 VAL 83 2HG2 VAL 83 -3.982 -9.639 18.704
682 H THR 84 H THR 84 -2.861 -10.768 14.004
683 HA THR 84 HA THR 84 -3.003 -7.861 13.820
684 HB THR 84 HB THR 84 -1.699 -9.613 11.769
685 HG1 THR 84 HG1 THR 84 -0.388 -8.806 14.169
686 HG21 THR 84 3HG2 THR 84 -1.741 -7.205 11.378
687 HG22 THR 84 1HG2 THR 84 -0.093 -7.746 11.696
688 HG23 THR 84 2HG2 THR 84 -1.009 -6.921 12.957
689 H MET 85 H MET 85 -5.082 -10.240 13.031
690 HA MET 85 HA MET 85 -5.659 -9.359 10.304
691 HB2 MET 85 2HB MET 85 -6.645 -11.640 11.994
692 HB3 MET 85 1HB MET 85 -7.468 -11.187 10.511
693 HG2 MET 85 2HG MET 85 -4.552 -11.902 10.648
694 HG3 MET 85 1HG MET 85 -5.834 -13.060 10.300
695 HE1 MET 85 3HE MET 85 -4.269 -12.698 6.774
696 HE2 MET 85 1HE MET 85 -4.842 -13.814 8.015
697 HE3 MET 85 2HE MET 85 -3.442 -12.788 8.329
698 H ILE 86 H ILE 86 -6.803 -8.852 13.506
699 HA ILE 86 HA ILE 86 -9.546 -8.511 13.002
700 HB ILE 86 HB ILE 86 -7.838 -7.350 15.201
701 HG12 ILE 86 2HG1 ILE 86 -9.344 -9.114 16.468
702 HG13 ILE 86 1HG1 ILE 86 -9.462 -9.840 14.868
703 HG21 ILE 86 1HG2 ILE 86 -9.958 -6.927 16.392
704 HG22 ILE 86 2HG2 ILE 86 -10.838 -7.351 14.923
705 HG23 ILE 86 3HG2 ILE 86 -9.777 -5.944 14.939
706 HD11 ILE 86 3HD1 ILE 86 -6.878 -9.252 16.297
707 HD12 ILE 86 1HD1 ILE 86 -7.070 -10.100 14.763
708 HD13 ILE 86 2HD1 ILE 86 -7.684 -10.821 16.250
709 H GLN 87 H GLN 87 -6.860 -6.199 12.958
710 HA GLN 87 HA GLN 87 -8.339 -3.853 12.686
711 HB2 GLN 87 2HB GLN 87 -5.861 -4.031 13.070
712 HB3 GLN 87 1HB GLN 87 -5.683 -4.406 11.362
713 HG2 GLN 87 2HG GLN 87 -5.206 -2.067 11.819
714 HG3 GLN 87 1HG GLN 87 -6.610 -2.243 10.766
715 HE21 GLN 87 1HE2 GLN 87 -5.497 -1.352 13.934
716 HE22 GLN 87 2HE2 GLN 87 -6.958 -0.579 14.447
717 H LYS 88 H LYS 88 -7.496 -6.285 10.317
718 HA LYS 88 HA LYS 88 -8.156 -4.883 7.973
719 HB2 LYS 88 2HB LYS 88 -8.269 -7.831 8.623
720 HB3 LYS 88 1HB LYS 88 -8.560 -7.186 7.014
721 HG2 LYS 88 2HG LYS 88 -6.339 -6.407 6.820
722 HG3 LYS 88 1HG LYS 88 -6.025 -6.667 8.534
723 HD2 LYS 88 2HD LYS 88 -4.966 -8.393 7.179
724 HD3 LYS 88 1HD LYS 88 -6.210 -9.080 8.215
725 HE2 LYS 88 2HE LYS 88 -7.101 -8.288 5.521
726 HE3 LYS 88 1HE LYS 88 -5.948 -9.617 5.577
727 HZ1 LYS 88 3HZ LYS 88 -7.445 -10.743 7.158
728 HZ2 LYS 88 1HZ LYS 88 -8.173 -10.477 5.652
729 HZ3 LYS 88 2HZ LYS 88 -8.572 -9.495 6.968
730 H TYR 89 H TYR 89 -10.111 -6.576 10.329
731 HA TYR 89 HA TYR 89 -12.476 -6.435 8.634
732 HD1 TYR 89 HD2 TYR 89 -12.370 -8.595 7.851
733 HD2 TYR 89 HD1 TYR 89 -10.897 -9.403 11.758
734 HE1 TYR 89 HE2 TYR 89 -11.100 -10.504 6.969
735 HE2 TYR 89 HE1 TYR 89 -9.615 -11.314 10.888
736 HH TYR 89 HH TYR 89 -9.613 -12.824 8.964
737 HB2 TYR 89 2HB TYR 89 -12.232 -7.555 11.439
738 HB3 TYR 89 1HB TYR 89 -13.527 -7.855 10.277
739 H ARG 90 H ARG 90 -10.925 -4.508 10.875
740 HA ARG 90 HA ARG 90 -13.403 -3.268 11.815
741 HE ARG 90 HE ARG 90 -12.929 -6.371 14.254
742 HB2 ARG 90 2HB ARG 90 -10.538 -2.802 12.659
743 HB3 ARG 90 1HB ARG 90 -11.942 -2.016 13.370
744 HG2 ARG 90 2HG ARG 90 -11.366 -4.972 13.398
745 HG3 ARG 90 1HG ARG 90 -11.185 -3.861 14.755
746 HD2 ARG 90 2HD ARG 90 -13.466 -3.604 15.022
747 HD3 ARG 90 1HD ARG 90 -13.814 -4.078 13.360
748 HH11 ARG 90 1HH1 ARG 90 -14.943 -4.087 15.988
749 HH12 ARG 90 2HH1 ARG 90 -15.814 -5.323 16.852
750 HH21 ARG 90 1HH2 ARG 90 -14.056 -7.987 15.379
751 HH22 ARG 90 2HH2 ARG 90 -15.304 -7.548 16.512
752 H GLN 91 H GLN 91 -10.742 -2.733 9.644
753 HA GLN 91 HA GLN 91 -11.525 0.050 9.276
754 HB2 GLN 91 2HB GLN 91 -9.337 -1.542 7.928
755 HB3 GLN 91 1HB GLN 91 -9.660 0.165 7.652
756 HG2 GLN 91 2HG GLN 91 -9.350 0.351 10.231
757 HG3 GLN 91 1HG GLN 91 -8.497 -1.180 10.044
758 HE21 GLN 91 1HE2 GLN 91 -7.448 1.381 10.873
759 HE22 GLN 91 2HE2 GLN 91 -6.203 1.792 9.738
760 H LEU 92 H LEU 92 -11.940 -3.072 7.918
761 HA LEU 92 HA LEU 92 -13.204 -2.193 5.513
762 HG LEU 92 HG LEU 92 -13.464 -4.122 3.983
763 HB2 LEU 92 2HB LEU 92 -12.264 -4.543 6.152
764 HB3 LEU 92 1HB LEU 92 -13.825 -4.773 6.912
765 HD11 LEU 92 1HD1 LEU 92 -12.481 -6.297 4.506
766 HD12 LEU 92 2HD1 LEU 92 -13.964 -6.475 3.567
767 HD13 LEU 92 3HD1 LEU 92 -13.974 -6.786 5.304
768 HD21 LEU 92 3HD2 LEU 92 -15.785 -4.801 3.789
769 HD22 LEU 92 1HD2 LEU 92 -15.627 -3.479 4.947
770 HD23 LEU 92 2HD2 LEU 92 -15.850 -5.133 5.521
771 H HIS 93 H HIS 93 -14.423 -0.517 6.367
772 HA HIS 93 HA HIS 93 -17.097 -1.110 7.119
773 HD1 HIS 93 HD1 HIS 93 -17.023 1.842 10.296
774 HD2 HIS 93 HD2 HIS 93 -18.711 -1.880 9.502
775 HE1 HIS 93 HE1 HIS 93 -19.300 1.880 11.366
776 HE2 HIS 93 HE2 HIS 93 -20.232 -0.436 11.018
777 HB2 HIS 93 2HB HIS 93 -15.829 -1.432 9.299
778 HB3 HIS 93 1HB HIS 93 -15.413 0.274 9.226
779 H HIS 94 H HIS 94 -17.287 0.134 5.220
780 HA HIS 94 HA HIS 94 -17.145 1.856 3.775
781 HD1 HIS 94 HD1 HIS 94 -16.809 5.563 5.819
782 HD2 HIS 94 HD2 HIS 94 -18.968 2.784 8.041
783 HE1 HIS 94 HE1 HIS 94 -16.859 6.459 8.165
784 HE2 HIS 94 HE2 HIS 94 -18.130 4.745 9.507
785 HB2 HIS 94 2HB HIS 94 -18.250 3.861 4.409
786 HB3 HIS 94 1HB HIS 94 -19.019 2.550 5.283
787 H HIS 95 H HIS 95 -16.406 4.412 3.719
788 HA HIS 95 HA HIS 95 -13.557 4.299 4.453
789 HD1 HIS 95 HD1 HIS 95 -13.509 8.105 2.790
790 HD2 HIS 95 HD2 HIS 95 -11.214 4.692 2.149
791 HE1 HIS 95 HE1 HIS 95 -11.155 8.918 2.451
792 HE2 HIS 95 HE2 HIS 95 -9.762 6.841 2.143
793 HB2 HIS 95 2HB HIS 95 -14.022 4.487 2.024
794 HB3 HIS 95 1HB HIS 95 -14.898 5.983 2.320
Start of MODEL 4
1 HA MET 1 HA MET 1 16.826 24.048 8.508
2 H1 MET 1 1H MET 1 18.961 23.903 9.547
3 H2 MET 1 2H MET 1 19.150 24.140 7.877
4 H3 MET 1 3H MET 1 19.410 22.605 8.552
5 HB2 MET 1 2HB MET 1 17.526 23.267 6.273
6 HB3 MET 1 1HB MET 1 17.750 21.645 6.914
7 HG2 MET 1 2HG MET 1 15.337 21.595 7.483
8 HG3 MET 1 1HG MET 1 15.157 23.160 6.692
9 HE1 MET 1 3HE MET 1 13.398 20.660 5.940
10 HE2 MET 1 1HE MET 1 13.430 20.706 4.178
11 HE3 MET 1 2HE MET 1 13.258 22.201 5.098
12 H TYR 2 H TYR 2 15.197 23.111 9.660
13 HA TYR 2 HA TYR 2 15.942 20.979 11.492
14 HD1 TYR 2 HD2 TYR 2 15.126 21.156 14.154
15 HD2 TYR 2 HD1 TYR 2 11.657 21.075 11.694
16 HE1 TYR 2 HE2 TYR 2 14.021 19.667 15.770
17 HE2 TYR 2 HE1 TYR 2 10.541 19.589 13.303
18 HH TYR 2 HH TYR 2 11.625 19.110 16.413
19 HB2 TYR 2 2HB TYR 2 14.684 22.886 12.371
20 HB3 TYR 2 1HB TYR 2 13.392 22.593 11.211
21 H LEU 3 H LEU 3 14.940 18.937 11.542
22 HA LEU 3 HA LEU 3 14.084 17.952 9.004
23 HG LEU 3 HG LEU 3 14.647 14.535 10.280
24 HB2 LEU 3 2HB LEU 3 15.354 16.719 10.898
25 HB3 LEU 3 1HB LEU 3 13.770 16.470 11.599
26 HD11 LEU 3 1HD1 LEU 3 12.570 14.097 9.036
27 HD12 LEU 3 2HD1 LEU 3 12.090 15.776 9.281
28 HD13 LEU 3 3HD1 LEU 3 12.273 14.700 10.668
29 HD21 LEU 3 3HD2 LEU 3 14.258 16.404 7.948
30 HD22 LEU 3 1HD2 LEU 3 14.578 14.672 7.829
31 HD23 LEU 3 2HD2 LEU 3 15.789 15.748 8.527
32 H LYS 4 H LYS 4 12.274 19.272 8.576
33 HA LYS 4 HA LYS 4 9.886 18.665 10.166
34 HB2 LYS 4 2HB LYS 4 10.445 21.066 9.751
35 HB3 LYS 4 1HB LYS 4 10.231 20.781 8.030
36 HG2 LYS 4 2HG LYS 4 8.251 21.806 8.927
37 HG3 LYS 4 1HG LYS 4 7.887 20.147 8.454
38 HD2 LYS 4 2HD LYS 4 6.851 20.591 10.578
39 HD3 LYS 4 1HD LYS 4 8.179 19.457 10.820
40 HE2 LYS 4 2HE LYS 4 8.202 21.123 12.571
41 HE3 LYS 4 1HE LYS 4 9.614 21.330 11.536
42 HZ1 LYS 4 3HZ LYS 4 8.471 23.139 10.404
43 HZ2 LYS 4 1HZ LYS 4 8.595 23.447 12.068
44 HZ3 LYS 4 2HZ LYS 4 7.116 22.939 11.406
45 H ARG 5 H ARG 5 9.513 16.630 9.395
46 HA ARG 5 HA ARG 5 8.147 16.431 6.863
47 HE ARG 5 HE ARG 5 10.952 15.680 3.582
48 HB2 ARG 5 2HB ARG 5 10.625 16.112 6.338
49 HB3 ARG 5 1HB ARG 5 10.566 14.671 7.341
50 HG2 ARG 5 2HG ARG 5 10.356 13.916 5.132
51 HG3 ARG 5 1HG ARG 5 8.726 13.845 5.807
52 HD2 ARG 5 2HD ARG 5 8.553 14.788 3.625
53 HD3 ARG 5 1HD ARG 5 8.302 16.093 4.785
54 HH11 ARG 5 1HH1 ARG 5 8.129 17.687 4.117
55 HH12 ARG 5 2HH1 ARG 5 8.835 19.089 3.369
56 HH21 ARG 5 1HH2 ARG 5 11.889 17.530 2.625
57 HH22 ARG 5 2HH2 ARG 5 10.972 19.009 2.533
58 H VAL 6 H VAL 6 7.019 14.311 6.723
59 HA VAL 6 HA VAL 6 6.276 13.336 9.309
60 HB VAL 6 HB VAL 6 5.638 12.164 6.589
61 HG11 VAL 6 1HG1 VAL 6 3.819 10.998 7.732
62 HG12 VAL 6 2HG1 VAL 6 4.354 11.661 9.277
63 HG13 VAL 6 3HG1 VAL 6 5.384 10.532 8.397
64 HG21 VAL 6 3HG2 VAL 6 4.041 14.018 8.357
65 HG22 VAL 6 1HG2 VAL 6 3.468 13.278 6.862
66 HG23 VAL 6 2HG2 VAL 6 4.797 14.435 6.818
67 H ASP 7 H ASP 7 7.997 12.479 10.340
68 HA ASP 7 HA ASP 7 9.516 10.347 9.017
69 HB2 ASP 7 2HB ASP 7 10.694 12.280 10.178
70 HB3 ASP 7 1HB ASP 7 10.090 11.630 11.698
71 H GLY 8 H GLY 8 8.103 8.638 9.155
72 HA2 GLY 8 2HA GLY 8 7.114 7.946 11.842
73 HA3 GLY 8 1HA GLY 8 6.387 7.413 10.333
74 HA PRO 9 HA PRO 9 8.966 3.896 11.755
75 HB2 PRO 9 2HB PRO 9 6.808 2.232 10.745
76 HB3 PRO 9 1HB PRO 9 7.419 2.369 12.394
77 HG2 PRO 9 2HG PRO 9 4.963 3.264 11.640
78 HG3 PRO 9 1HG PRO 9 5.897 3.985 12.963
79 HD2 PRO 9 2HD PRO 9 5.569 4.929 10.141
80 HD3 PRO 9 1HD PRO 9 5.581 5.869 11.650
81 H ARG 10 H ARG 10 10.302 2.692 10.472
82 HA ARG 10 HA ARG 10 9.953 2.955 7.592
83 HE ARG 10 HE ARG 10 12.753 6.190 7.257
84 HB2 ARG 10 2HB ARG 10 12.238 2.245 9.369
85 HB3 ARG 10 1HB ARG 10 12.245 1.607 7.731
86 HG2 ARG 10 2HG ARG 10 13.504 3.663 7.836
87 HG3 ARG 10 1HG ARG 10 12.059 3.891 6.852
88 HD2 ARG 10 2HD ARG 10 10.935 4.894 8.810
89 HD3 ARG 10 1HD ARG 10 12.439 4.747 9.717
90 HH11 ARG 10 1HH1 ARG 10 11.771 6.447 10.601
91 HH12 ARG 10 2HH1 ARG 10 12.102 8.151 10.709
92 HH21 ARG 10 1HH2 ARG 10 13.208 8.438 7.388
93 HH22 ARG 10 2HH2 ARG 10 12.906 9.281 8.886
94 H GLN 11 H GLN 11 9.323 0.698 10.048
95 HA GLN 11 HA GLN 11 8.648 -1.295 8.027
96 HB2 GLN 11 2HB GLN 11 9.721 -3.108 9.221
97 HB3 GLN 11 1HB GLN 11 10.918 -1.877 8.844
98 HG2 GLN 11 2HG GLN 11 10.817 -1.044 11.115
99 HG3 GLN 11 1HG GLN 11 9.557 -2.212 11.508
100 HE21 GLN 11 1HE2 GLN 11 10.741 -3.175 13.114
101 HE22 GLN 11 2HE2 GLN 11 12.130 -4.159 12.803
102 H VAL 12 H VAL 12 6.903 -2.530 8.524
103 HA VAL 12 HA VAL 12 5.832 -2.451 11.263
104 HB VAL 12 HB VAL 12 3.516 -2.468 10.321
105 HG11 VAL 12 1HG1 VAL 12 3.408 -0.065 9.851
106 HG12 VAL 12 2HG1 VAL 12 5.163 -0.026 9.674
107 HG13 VAL 12 3HG1 VAL 12 4.443 -0.419 11.235
108 HG21 VAL 12 3HG2 VAL 12 3.150 -1.698 8.032
109 HG22 VAL 12 1HG2 VAL 12 4.047 -3.216 8.060
110 HG23 VAL 12 2HG2 VAL 12 4.889 -1.698 7.748
111 H THR 13 H THR 13 3.984 -4.250 11.348
112 HA THR 13 HA THR 13 5.217 -6.654 10.185
113 HB THR 13 HB THR 13 3.415 -6.567 12.609
114 HG1 THR 13 HG1 THR 13 6.258 -6.681 12.654
115 HG21 THR 13 3HG2 THR 13 5.442 -8.602 11.665
116 HG22 THR 13 1HG2 THR 13 3.691 -8.757 11.520
117 HG23 THR 13 2HG2 THR 13 4.446 -8.724 13.113
118 H LEU 14 H LEU 14 3.969 -8.182 9.166
119 HA LEU 14 HA LEU 14 1.262 -7.368 8.409
120 HG LEU 14 HG LEU 14 2.748 -8.437 5.170
121 HB2 LEU 14 2HB LEU 14 3.074 -9.559 7.390
122 HB3 LEU 14 1HB LEU 14 1.418 -9.367 6.865
123 HD11 LEU 14 1HD1 LEU 14 1.798 -6.150 6.875
124 HD12 LEU 14 2HD1 LEU 14 0.814 -7.083 5.748
125 HD13 LEU 14 3HD1 LEU 14 2.143 -6.089 5.148
126 HD21 LEU 14 3HD2 LEU 14 4.792 -8.258 6.608
127 HD22 LEU 14 1HD2 LEU 14 4.172 -6.702 7.159
128 HD23 LEU 14 2HD2 LEU 14 4.548 -6.952 5.454
129 HA PRO 15 HA PRO 15 -0.707 -10.528 10.933
130 HB2 PRO 15 2HB PRO 15 -2.586 -11.017 8.730
131 HB3 PRO 15 1HB PRO 15 -2.903 -10.362 10.337
132 HG2 PRO 15 2HG PRO 15 -3.044 -8.837 8.122
133 HG3 PRO 15 1HG PRO 15 -2.499 -8.191 9.682
134 HD2 PRO 15 2HD PRO 15 -0.874 -9.036 7.309
135 HD3 PRO 15 1HD PRO 15 -0.674 -7.624 8.370
136 H ASP 16 H ASP 16 0.800 -10.952 8.012
137 HA ASP 16 HA ASP 16 0.408 -13.836 7.855
138 HB2 ASP 16 2HB ASP 16 2.027 -12.031 6.038
139 HB3 ASP 16 1HB ASP 16 1.522 -13.686 5.710
140 H GLY 17 H GLY 17 2.313 -11.758 9.541
141 HA2 GLY 17 2HA GLY 17 4.035 -12.394 10.998
142 HA3 GLY 17 1HA GLY 17 4.276 -13.851 10.043
143 H THR 18 H THR 18 4.117 -11.288 7.967
144 HA THR 18 HA THR 18 6.995 -11.387 7.547
145 HB THR 18 HB THR 18 5.030 -9.922 5.801
146 HG1 THR 18 HG1 THR 18 5.442 -12.732 6.032
147 HG21 THR 18 3HG2 THR 18 7.549 -11.487 5.208
148 HG22 THR 18 1HG2 THR 18 7.411 -9.729 5.255
149 HG23 THR 18 2HG2 THR 18 6.556 -10.647 4.016
150 H VAL 19 H VAL 19 8.077 -9.290 6.886
151 HA VAL 19 HA VAL 19 7.151 -7.052 8.554
152 HB VAL 19 HB VAL 19 9.934 -7.596 7.487
153 HG11 VAL 19 1HG1 VAL 19 10.615 -5.696 8.909
154 HG12 VAL 19 2HG1 VAL 19 8.920 -5.379 9.270
155 HG13 VAL 19 3HG1 VAL 19 9.517 -5.209 7.618
156 HG21 VAL 19 3HG2 VAL 19 9.306 -9.113 9.292
157 HG22 VAL 19 1HG2 VAL 19 8.858 -7.735 10.301
158 HG23 VAL 19 2HG2 VAL 19 10.541 -7.970 9.825
159 H LEU 20 H LEU 20 6.510 -5.249 7.598
160 HA LEU 20 HA LEU 20 6.972 -4.957 4.703
161 HG LEU 20 HG LEU 20 5.153 -2.331 4.581
162 HB2 LEU 20 2HB LEU 20 4.618 -5.207 5.303
163 HB3 LEU 20 1HB LEU 20 4.744 -3.887 6.442
164 HD11 LEU 20 1HD1 LEU 20 4.777 -3.081 2.277
165 HD12 LEU 20 2HD1 LEU 20 4.666 -4.748 2.844
166 HD13 LEU 20 3HD1 LEU 20 6.182 -3.861 3.001
167 HD21 LEU 20 3HD2 LEU 20 2.894 -2.675 5.408
168 HD22 LEU 20 1HD2 LEU 20 2.672 -4.019 4.289
169 HD23 LEU 20 2HD2 LEU 20 2.884 -2.382 3.671
170 H SER 21 H SER 21 8.682 -3.649 4.463
171 HA SER 21 HA SER 21 8.931 -1.321 6.209
172 HG SER 21 HG SER 21 10.367 -3.271 3.608
173 HB2 SER 21 2HB SER 21 11.163 -1.060 5.216
174 HB3 SER 21 1HB SER 21 10.948 -2.700 5.817
175 H ARG 22 H ARG 22 9.546 0.773 5.076
176 HA ARG 22 HA ARG 22 7.558 1.369 3.102
177 HE ARG 22 HE ARG 22 8.723 5.783 3.931
178 HB2 ARG 22 2HB ARG 22 9.805 3.026 4.255
179 HB3 ARG 22 1HB ARG 22 8.641 3.645 3.089
180 HG2 ARG 22 2HG ARG 22 6.823 3.200 4.645
181 HG3 ARG 22 1HG ARG 22 7.971 2.537 5.808
182 HD2 ARG 22 2HD ARG 22 7.325 4.847 6.345
183 HD3 ARG 22 1HD ARG 22 9.050 4.695 6.021
184 HH11 ARG 22 1HH1 ARG 22 5.847 5.724 5.951
185 HH12 ARG 22 2HH1 ARG 22 5.108 7.064 5.135
186 HH21 ARG 22 1HH2 ARG 22 7.737 7.564 2.892
187 HH22 ARG 22 2HH2 ARG 22 6.146 8.081 3.377
188 H ALA 23 H ALA 23 10.476 -0.106 2.892
189 HA ALA 23 HA ALA 23 11.134 0.865 0.223
190 HB1 ALA 23 3HB ALA 23 12.457 -1.250 1.921
191 HB2 ALA 23 1HB ALA 23 12.957 0.436 1.794
192 HB3 ALA 23 2HB ALA 23 13.063 -0.623 0.389
193 H ASP 24 H ASP 24 9.276 -1.567 1.738
194 HA ASP 24 HA ASP 24 9.462 -3.509 -0.392
195 HB2 ASP 24 2HB ASP 24 7.664 -3.307 2.022
196 HB3 ASP 24 1HB ASP 24 7.468 -4.562 0.806
197 H LEU 25 H LEU 25 7.821 -0.622 0.076
198 HA LEU 25 HA LEU 25 5.380 -1.081 -1.204
199 HG LEU 25 HG LEU 25 6.049 0.688 1.097
200 HB2 LEU 25 2HB LEU 25 7.111 1.381 -1.039
201 HB3 LEU 25 1HB LEU 25 5.530 1.384 -1.797
202 HD11 LEU 25 1HD1 LEU 25 4.999 2.852 1.576
203 HD12 LEU 25 2HD1 LEU 25 4.942 3.203 -0.150
204 HD13 LEU 25 3HD1 LEU 25 6.496 3.039 0.664
205 HD21 LEU 25 3HD2 LEU 25 4.087 -0.428 0.145
206 HD22 LEU 25 1HD2 LEU 25 3.469 1.129 -0.402
207 HD23 LEU 25 2HD2 LEU 25 3.627 0.802 1.323
208 HA PRO 26 HA PRO 26 6.571 -2.227 -5.302
209 HB2 PRO 26 2HB PRO 26 4.238 -1.301 -6.518
210 HB3 PRO 26 1HB PRO 26 4.449 -2.898 -5.793
211 HG2 PRO 26 2HG PRO 26 3.195 -0.444 -4.650
212 HG3 PRO 26 1HG PRO 26 2.708 -2.142 -4.480
213 HD2 PRO 26 2HD PRO 26 3.966 -0.857 -2.508
214 HD3 PRO 26 1HD PRO 26 4.311 -2.564 -2.858
215 HA PRO 27 HA PRO 27 8.252 1.334 -7.286
216 HB2 PRO 27 2HB PRO 27 7.972 0.597 -9.927
217 HB3 PRO 27 1HB PRO 27 9.256 0.023 -8.861
218 HG2 PRO 27 2HG PRO 27 6.693 -1.309 -9.630
219 HG3 PRO 27 1HG PRO 27 8.316 -2.008 -9.462
220 HD2 PRO 27 2HD PRO 27 6.454 -2.319 -7.558
221 HD3 PRO 27 1HD PRO 27 8.170 -2.105 -7.151
222 H LEU 28 H LEU 28 7.725 3.165 -8.556
223 HA LEU 28 HA LEU 28 4.908 3.785 -8.483
224 HG LEU 28 HG LEU 28 7.728 4.894 -7.190
225 HB2 LEU 28 2HB LEU 28 7.162 5.519 -9.487
226 HB3 LEU 28 1HB LEU 28 5.572 6.041 -8.967
227 HD11 LEU 28 1HD1 LEU 28 8.222 7.150 -7.932
228 HD12 LEU 28 2HD1 LEU 28 7.779 7.143 -6.225
229 HD13 LEU 28 3HD1 LEU 28 6.618 7.685 -7.436
230 HD21 LEU 28 3HD2 LEU 28 5.493 4.264 -6.424
231 HD22 LEU 28 1HD2 LEU 28 4.995 5.957 -6.480
232 HD23 LEU 28 2HD2 LEU 28 6.238 5.438 -5.340
233 H ASP 29 H ASP 29 6.707 2.186 -10.632
234 HA ASP 29 HA ASP 29 5.632 3.421 -13.052
235 HB2 ASP 29 2HB ASP 29 7.505 1.057 -12.775
236 HB3 ASP 29 1HB ASP 29 7.122 1.918 -14.261
237 H THR 30 H THR 30 4.527 1.341 -10.830
238 HA THR 30 HA THR 30 3.610 -0.773 -12.574
239 HB THR 30 HB THR 30 3.042 -0.282 -9.644
240 HG1 THR 30 HG1 THR 30 5.127 -1.476 -11.040
241 HG21 THR 30 3HG2 THR 30 1.323 -1.668 -10.701
242 HG22 THR 30 1HG2 THR 30 2.321 -2.628 -9.608
243 HG23 THR 30 2HG2 THR 30 2.570 -2.731 -11.353
244 H ARG 31 H ARG 31 1.820 -0.617 -13.743
245 HA ARG 31 HA ARG 31 -0.507 0.559 -12.399
246 HE ARG 31 HE ARG 31 -1.825 4.247 -12.507
247 HB2 ARG 31 2HB ARG 31 0.525 1.199 -15.027
248 HB3 ARG 31 1HB ARG 31 -1.136 0.624 -15.112
249 HG2 ARG 31 2HG ARG 31 -0.128 2.881 -13.388
250 HG3 ARG 31 1HG ARG 31 -1.081 3.037 -14.866
251 HD2 ARG 31 2HD ARG 31 -2.980 2.052 -13.862
252 HD3 ARG 31 1HD ARG 31 -2.049 1.482 -12.479
253 HH11 ARG 31 1HH1 ARG 31 -4.387 1.876 -12.146
254 HH12 ARG 31 2HH1 ARG 31 -5.363 2.891 -11.124
255 HH21 ARG 31 1HH2 ARG 31 -3.089 5.577 -11.190
256 HH22 ARG 31 2HH2 ARG 31 -4.641 5.029 -10.634
257 H ARG 32 H ARG 32 0.855 -2.066 -14.200
258 HA ARG 32 HA ARG 32 -1.613 -3.551 -14.212
259 HE ARG 32 HE ARG 32 4.155 -4.503 -16.309
260 HB2 ARG 32 2HB ARG 32 -0.064 -5.530 -14.661
261 HB3 ARG 32 1HB ARG 32 -0.096 -4.262 -15.877
262 HG2 ARG 32 2HG ARG 32 1.997 -3.394 -15.123
263 HG3 ARG 32 1HG ARG 32 1.999 -4.477 -13.729
264 HD2 ARG 32 2HD ARG 32 2.235 -6.393 -15.135
265 HD3 ARG 32 1HD ARG 32 1.992 -5.426 -16.587
266 HH11 ARG 32 1HH1 ARG 32 3.418 -6.931 -13.878
267 HH12 ARG 32 2HH1 ARG 32 5.089 -7.327 -13.592
268 HH21 ARG 32 1HH2 ARG 32 6.346 -5.020 -15.916
269 HH22 ARG 32 2HH2 ARG 32 6.743 -6.234 -14.741
270 H TRP 33 H TRP 33 -2.042 -2.942 -11.986
271 HA TRP 33 HA TRP 33 -0.363 -3.823 -9.861
272 HD1 TRP 33 HD1 TRP 33 -2.471 -0.437 -11.046
273 HE1 TRP 33 HE1 TRP 33 -0.995 1.514 -10.239
274 HE3 TRP 33 HE3 TRP 33 -0.237 -2.708 -7.056
275 HZ2 TRP 33 HZ2 TRP 33 0.861 2.017 -8.187
276 HZ3 TRP 33 HZ3 TRP 33 1.371 -1.420 -5.716
277 HH2 TRP 33 HH2 TRP 33 1.910 0.894 -6.273
278 HB2 TRP 33 2HB TRP 33 -3.168 -2.729 -9.953
279 HB3 TRP 33 1HB TRP 33 -2.382 -3.193 -8.448
280 H VAL 34 H VAL 34 -0.081 -5.972 -9.626
281 HA VAL 34 HA VAL 34 -2.309 -7.802 -9.634
282 HB VAL 34 HB VAL 34 -0.687 -9.481 -8.819
283 HG11 VAL 34 1HG1 VAL 34 0.273 -7.833 -11.152
284 HG12 VAL 34 2HG1 VAL 34 -0.899 -9.149 -11.202
285 HG13 VAL 34 3HG1 VAL 34 0.783 -9.481 -10.796
286 HG21 VAL 34 3HG2 VAL 34 1.292 -7.205 -8.863
287 HG22 VAL 34 1HG2 VAL 34 1.680 -8.904 -8.599
288 HG23 VAL 34 2HG2 VAL 34 0.693 -8.032 -7.426
289 H ALA 35 H ALA 35 -2.643 -9.214 -7.627
290 HA ALA 35 HA ALA 35 -3.681 -7.562 -5.612
291 HB1 ALA 35 3HB ALA 35 -3.088 -10.514 -5.478
292 HB2 ALA 35 1HB ALA 35 -4.569 -9.779 -6.095
293 HB3 ALA 35 2HB ALA 35 -4.148 -9.616 -4.391
294 H SER 36 H SER 36 -0.683 -9.380 -5.799
295 HA SER 36 HA SER 36 0.210 -9.162 -3.186
296 HG SER 36 HG SER 36 1.665 -11.494 -4.893
297 HB2 SER 36 2HB SER 36 1.992 -8.982 -5.612
298 HB3 SER 36 1HB SER 36 2.354 -9.711 -4.047
299 H ARG 37 H ARG 37 0.625 -6.908 -5.893
300 HA ARG 37 HA ARG 37 2.300 -5.143 -4.375
301 HE ARG 37 HE ARG 37 4.419 -6.750 -8.750
302 HB2 ARG 37 2HB ARG 37 0.957 -4.755 -7.057
303 HB3 ARG 37 1HB ARG 37 2.137 -3.656 -6.355
304 HG2 ARG 37 2HG ARG 37 3.796 -5.496 -6.361
305 HG3 ARG 37 1HG ARG 37 2.607 -6.522 -7.162
306 HD2 ARG 37 2HD ARG 37 2.512 -4.865 -9.012
307 HD3 ARG 37 1HD ARG 37 3.815 -3.972 -8.230
308 HH11 ARG 37 1HH1 ARG 37 4.534 -3.476 -9.984
309 HH12 ARG 37 2HH1 ARG 37 5.747 -3.823 -11.172
310 HH21 ARG 37 1HH2 ARG 37 6.057 -7.209 -10.315
311 HH22 ARG 37 2HH2 ARG 37 6.624 -5.930 -11.352
312 H LYS 38 H LYS 38 -1.100 -5.192 -5.344
313 HA LYS 38 HA LYS 38 -1.803 -2.662 -4.322
314 HB2 LYS 38 2HB LYS 38 -3.470 -5.174 -4.560
315 HB3 LYS 38 1HB LYS 38 -4.117 -3.596 -4.148
316 HG2 LYS 38 2HG LYS 38 -3.179 -2.788 -6.361
317 HG3 LYS 38 1HG LYS 38 -2.923 -4.491 -6.749
318 HD2 LYS 38 2HD LYS 38 -5.325 -4.913 -6.352
319 HD3 LYS 38 1HD LYS 38 -5.557 -3.193 -6.047
320 HE2 LYS 38 2HE LYS 38 -4.704 -2.733 -8.335
321 HE3 LYS 38 1HE LYS 38 -4.658 -4.471 -8.621
322 HZ1 LYS 38 3HZ LYS 38 -6.681 -3.681 -9.516
323 HZ2 LYS 38 1HZ LYS 38 -7.044 -2.779 -8.125
324 HZ3 LYS 38 2HZ LYS 38 -7.090 -4.473 -8.074
325 H ALA 39 H ALA 39 -1.750 -5.872 -2.846
326 HA ALA 39 HA ALA 39 -2.803 -5.216 -0.352
327 HB1 ALA 39 3HB ALA 39 -2.492 -7.518 -1.115
328 HB2 ALA 39 1HB ALA 39 -1.745 -7.255 0.460
329 HB3 ALA 39 2HB ALA 39 -0.743 -7.325 -0.988
330 H ALA 40 H ALA 40 0.556 -5.168 -1.494
331 HA ALA 40 HA ALA 40 1.810 -4.602 0.923
332 HB1 ALA 40 3HB ALA 40 3.664 -3.759 -0.397
333 HB2 ALA 40 1HB ALA 40 2.625 -3.645 -1.817
334 HB3 ALA 40 2HB ALA 40 3.005 -5.221 -1.126
335 H VAL 41 H VAL 41 0.391 -2.392 -1.455
336 HA VAL 41 HA VAL 41 1.192 -0.003 -0.149
337 HB VAL 41 HB VAL 41 -1.132 -0.423 -2.032
338 HG11 VAL 41 1HG1 VAL 41 0.336 2.099 -1.278
339 HG12 VAL 41 2HG1 VAL 41 -1.303 1.668 -0.789
340 HG13 VAL 41 3HG1 VAL 41 -0.938 1.966 -2.489
341 HG21 VAL 41 3HG2 VAL 41 0.962 -1.145 -3.029
342 HG22 VAL 41 1HG2 VAL 41 1.714 0.390 -2.599
343 HG23 VAL 41 2HG2 VAL 41 0.404 0.349 -3.778
344 H VAL 42 H VAL 42 -1.936 -1.720 -0.214
345 HA VAL 42 HA VAL 42 -3.211 0.159 1.483
346 HB VAL 42 HB VAL 42 -4.442 -1.291 -0.088
347 HG11 VAL 42 1HG1 VAL 42 -4.983 -3.604 0.578
348 HG12 VAL 42 2HG1 VAL 42 -3.768 -3.487 1.853
349 HG13 VAL 42 3HG1 VAL 42 -3.287 -3.370 0.159
350 HG21 VAL 42 3HG2 VAL 42 -5.288 -1.539 2.794
351 HG22 VAL 42 1HG2 VAL 42 -6.336 -1.790 1.398
352 HG23 VAL 42 2HG2 VAL 42 -5.642 -0.198 1.706
353 H LYS 43 H LYS 43 -1.558 -2.922 2.118
354 HA LYS 43 HA LYS 43 -2.305 -3.098 4.848
355 HB2 LYS 43 2HB LYS 43 -0.005 -4.286 3.302
356 HB3 LYS 43 1HB LYS 43 -0.214 -4.566 5.026
357 HG2 LYS 43 2HG LYS 43 -2.395 -5.575 4.604
358 HG3 LYS 43 1HG LYS 43 -2.201 -5.283 2.873
359 HD2 LYS 43 2HD LYS 43 -0.258 -6.755 2.828
360 HD3 LYS 43 1HD LYS 43 -0.387 -7.005 4.569
361 HE2 LYS 43 2HE LYS 43 -2.604 -8.019 4.238
362 HE3 LYS 43 1HE LYS 43 -2.431 -7.803 2.501
363 HZ1 LYS 43 3HZ LYS 43 -0.643 -9.470 4.194
364 HZ2 LYS 43 1HZ LYS 43 -0.544 -9.293 2.511
365 HZ3 LYS 43 2HZ LYS 43 -1.883 -10.061 3.208
366 H ALA 44 H ALA 44 0.214 -1.355 3.160
367 HA ALA 44 HA ALA 44 1.789 -0.673 5.397
368 HB1 ALA 44 3HB ALA 44 2.569 -0.379 3.093
369 HB2 ALA 44 1HB ALA 44 2.677 1.124 4.006
370 HB3 ALA 44 2HB ALA 44 1.369 0.888 2.850
371 H VAL 45 H VAL 45 -1.048 0.834 3.934
372 HA VAL 45 HA VAL 45 -1.063 3.098 5.673
373 HB VAL 45 HB VAL 45 -3.358 1.913 4.095
374 HG11 VAL 45 1HG1 VAL 45 -4.325 4.166 4.219
375 HG12 VAL 45 2HG1 VAL 45 -2.994 4.669 5.264
376 HG13 VAL 45 3HG1 VAL 45 -4.133 3.441 5.817
377 HG21 VAL 45 3HG2 VAL 45 -1.498 2.445 2.631
378 HG22 VAL 45 1HG2 VAL 45 -1.371 4.056 3.340
379 HG23 VAL 45 2HG2 VAL 45 -2.799 3.613 2.403
380 H ILE 46 H ILE 46 -2.611 -0.062 5.698
381 HA ILE 46 HA ILE 46 -4.342 0.464 7.884
382 HB ILE 46 HB ILE 46 -3.419 -2.164 6.720
383 HG12 ILE 46 2HG1 ILE 46 -5.995 -0.613 6.369
384 HG13 ILE 46 1HG1 ILE 46 -4.686 -0.662 5.199
385 HG21 ILE 46 1HG2 ILE 46 -5.306 -3.185 7.877
386 HG22 ILE 46 2HG2 ILE 46 -5.693 -1.639 8.630
387 HG23 ILE 46 3HG2 ILE 46 -4.185 -2.458 9.031
388 HD11 ILE 46 3HD1 ILE 46 -5.027 -3.069 4.929
389 HD12 ILE 46 1HD1 ILE 46 -6.484 -2.147 4.548
390 HD13 ILE 46 2HD1 ILE 46 -6.356 -3.000 6.088
391 H HIS 47 H HIS 47 -1.041 -0.755 7.696
392 HA HIS 47 HA HIS 47 -1.096 -1.478 10.521
393 HD1 HIS 47 HD1 HIS 47 -0.850 -3.862 10.976
394 HD2 HIS 47 HD2 HIS 47 0.512 -4.003 7.047
395 HE1 HIS 47 HE1 HIS 47 -1.620 -6.075 10.072
396 HE2 HIS 47 HE2 HIS 47 -0.671 -6.190 7.743
397 HB2 HIS 47 2HB HIS 47 1.046 -1.758 8.419
398 HB3 HIS 47 1HB HIS 47 1.305 -2.154 10.114
399 H GLY 48 H GLY 48 -0.697 1.339 8.893
400 HA2 GLY 48 2HA GLY 48 -0.142 3.406 9.792
401 HA3 GLY 48 1HA GLY 48 0.446 2.585 11.231
402 H LEU 49 H LEU 49 1.468 1.953 7.939
403 HA LEU 49 HA LEU 49 4.212 2.671 8.660
404 HG LEU 49 HG LEU 49 5.401 2.293 5.900
405 HB2 LEU 49 2HB LEU 49 3.721 0.473 7.616
406 HB3 LEU 49 1HB LEU 49 3.116 1.306 6.199
407 HD11 LEU 49 1HD1 LEU 49 6.208 2.039 8.178
408 HD12 LEU 49 2HD1 LEU 49 7.264 1.192 7.045
409 HD13 LEU 49 3HD1 LEU 49 6.117 0.283 8.029
410 HD21 LEU 49 3HD2 LEU 49 4.607 0.368 4.614
411 HD22 LEU 49 1HD2 LEU 49 5.215 -0.715 5.865
412 HD23 LEU 49 2HD2 LEU 49 6.339 0.273 4.932
413 H ILE 50 H ILE 50 1.768 3.278 6.190
414 HA ILE 50 HA ILE 50 2.928 5.943 5.763
415 HB ILE 50 HB ILE 50 2.457 5.869 3.395
416 HG12 ILE 50 2HG1 ILE 50 1.583 2.992 3.735
417 HG13 ILE 50 1HG1 ILE 50 0.464 4.344 3.599
418 HG21 ILE 50 1HG2 ILE 50 4.047 4.142 2.647
419 HG22 ILE 50 2HG2 ILE 50 3.999 3.430 4.259
420 HG23 ILE 50 3HG2 ILE 50 4.637 5.057 4.035
421 HD11 ILE 50 3HD1 ILE 50 0.733 3.186 1.476
422 HD12 ILE 50 1HD1 ILE 50 2.467 3.510 1.511
423 HD13 ILE 50 2HD1 ILE 50 1.320 4.846 1.377
424 H THR 51 H THR 51 1.191 7.321 4.545
425 HA THR 51 HA THR 51 -1.401 6.748 5.795
426 HB THR 51 HB THR 51 -0.508 8.881 6.506
427 HG1 THR 51 HG1 THR 51 -2.258 10.218 5.807
428 HG21 THR 51 3HG2 THR 51 0.988 9.316 4.605
429 HG22 THR 51 1HG2 THR 51 -0.046 10.701 4.947
430 HG23 THR 51 2HG2 THR 51 -0.409 9.643 3.585
431 H GLU 52 H GLU 52 -3.334 7.190 4.561
432 HA GLU 52 HA GLU 52 -3.406 5.883 2.114
433 HB2 GLU 52 2HB GLU 52 -5.351 6.311 3.645
434 HB3 GLU 52 1HB GLU 52 -5.382 7.967 3.060
435 HG2 GLU 52 2HG GLU 52 -5.612 6.916 0.727
436 HG3 GLU 52 1HG GLU 52 -6.038 5.440 1.595
437 H ARG 53 H ARG 53 -3.254 9.331 2.821
438 HA ARG 53 HA ARG 53 -3.602 10.199 0.159
439 HE ARG 53 HE ARG 53 -6.925 12.804 1.665
440 HB2 ARG 53 2HB ARG 53 -2.549 11.543 2.629
441 HB3 ARG 53 1HB ARG 53 -2.575 12.366 1.075
442 HG2 ARG 53 2HG ARG 53 -4.980 11.209 2.477
443 HG3 ARG 53 1HG ARG 53 -4.530 12.916 2.445
444 HD2 ARG 53 2HD ARG 53 -4.767 12.943 0.020
445 HD3 ARG 53 1HD ARG 53 -5.164 11.228 0.029
446 HH11 ARG 53 1HH1 ARG 53 -6.284 11.728 -1.618
447 HH12 ARG 53 2HH1 ARG 53 -7.949 11.833 -2.104
448 HH21 ARG 53 1HH2 ARG 53 -9.116 12.983 0.977
449 HH22 ARG 53 2HH2 ARG 53 -9.533 12.538 -0.659
450 H GLU 54 H GLU 54 -0.779 9.130 1.924
451 HA GLU 54 HA GLU 54 1.096 10.244 0.066
452 HB2 GLU 54 2HB GLU 54 1.721 9.584 2.407
453 HB3 GLU 54 1HB GLU 54 1.545 7.899 1.924
454 HG2 GLU 54 2HG GLU 54 3.248 8.375 0.115
455 HG3 GLU 54 1HG GLU 54 3.541 9.909 0.926
456 H ALA 55 H ALA 55 -0.521 7.154 0.514
457 HA ALA 55 HA ALA 55 0.761 5.727 -1.548
458 HB1 ALA 55 3HB ALA 55 -2.051 5.410 -0.495
459 HB2 ALA 55 1HB ALA 55 -0.606 4.641 0.164
460 HB3 ALA 55 2HB ALA 55 -1.165 4.224 -1.454
461 H LEU 56 H LEU 56 -2.243 7.596 -1.498
462 HA LEU 56 HA LEU 56 -2.904 7.291 -4.216
463 HG LEU 56 HG LEU 56 -4.317 7.424 -1.443
464 HB2 LEU 56 2HB LEU 56 -3.541 9.600 -2.383
465 HB3 LEU 56 1HB LEU 56 -4.372 9.209 -3.875
466 HD11 LEU 56 1HD1 LEU 56 -6.445 9.317 -2.423
467 HD12 LEU 56 2HD1 LEU 56 -5.516 9.452 -0.928
468 HD13 LEU 56 3HD1 LEU 56 -6.654 8.122 -1.143
469 HD21 LEU 56 3HD2 LEU 56 -6.103 6.224 -2.566
470 HD22 LEU 56 1HD2 LEU 56 -4.645 6.242 -3.559
471 HD23 LEU 56 2HD2 LEU 56 -5.989 7.315 -3.947
472 H ASP 57 H ASP 57 -0.882 9.599 -2.521
473 HA ASP 57 HA ASP 57 -0.570 11.414 -4.678
474 HB2 ASP 57 2HB ASP 57 -0.176 12.044 -2.337
475 HB3 ASP 57 1HB ASP 57 1.194 10.947 -2.266
476 H ARG 58 H ARG 58 1.636 8.943 -3.350
477 HA ARG 58 HA ARG 58 3.653 9.500 -5.271
478 HE ARG 58 HE ARG 58 4.245 6.555 -0.847
479 HB2 ARG 58 2HB ARG 58 4.876 7.641 -4.342
480 HB3 ARG 58 1HB ARG 58 4.140 8.551 -3.033
481 HG2 ARG 58 2HG ARG 58 2.581 6.894 -2.583
482 HG3 ARG 58 1HG ARG 58 2.785 6.138 -4.162
483 HD2 ARG 58 2HD ARG 58 3.854 4.719 -2.610
484 HD3 ARG 58 1HD ARG 58 5.133 5.573 -3.464
485 HH11 ARG 58 1HH1 ARG 58 6.733 5.202 -2.900
486 HH12 ARG 58 2HH1 ARG 58 7.975 5.311 -1.695
487 HH21 ARG 58 1HH2 ARG 58 5.852 6.654 0.769
488 HH22 ARG 58 2HH2 ARG 58 7.468 6.103 0.400
489 H TYR 59 H TYR 59 0.875 7.428 -5.376
490 HA TYR 59 HA TYR 59 2.021 6.033 -7.703
491 HD1 TYR 59 HD2 TYR 59 2.704 3.695 -7.531
492 HD2 TYR 59 HD1 TYR 59 0.522 4.375 -3.944
493 HE1 TYR 59 HE2 TYR 59 4.284 2.265 -6.305
494 HE2 TYR 59 HE1 TYR 59 2.096 2.949 -2.709
495 HH TYR 59 HH TYR 59 5.014 1.703 -4.212
496 HB2 TYR 59 2HB TYR 59 -0.267 5.271 -5.900
497 HB3 TYR 59 1HB TYR 59 0.116 4.420 -7.390
498 H SER 60 H SER 60 0.153 8.638 -7.094
499 HA SER 60 HA SER 60 -1.355 9.864 -8.266
500 HG SER 60 HG SER 60 -2.138 9.411 -11.391
501 HB2 SER 60 2HB SER 60 0.326 9.419 -10.098
502 HB3 SER 60 1HB SER 60 -0.677 8.065 -10.609
503 H LEU 61 H LEU 61 -2.449 8.011 -6.684
504 HA LEU 61 HA LEU 61 -4.502 6.610 -8.254
505 HG LEU 61 HG LEU 61 -1.927 5.572 -6.505
506 HB2 LEU 61 2HB LEU 61 -3.933 6.328 -5.305
507 HB3 LEU 61 1HB LEU 61 -4.923 5.279 -6.300
508 HD11 LEU 61 1HD1 LEU 61 -2.604 4.458 -4.455
509 HD12 LEU 61 2HD1 LEU 61 -1.879 3.308 -5.577
510 HD13 LEU 61 3HD1 LEU 61 -3.631 3.357 -5.374
511 HD21 LEU 61 3HD2 LEU 61 -3.780 3.635 -7.884
512 HD22 LEU 61 1HD2 LEU 61 -2.025 3.697 -8.033
513 HD23 LEU 61 2HD2 LEU 61 -3.010 5.025 -8.649
514 H SER 62 H SER 62 -6.713 6.702 -7.456
515 HA SER 62 HA SER 62 -7.314 9.204 -6.027
516 HG SER 62 HG SER 62 -8.219 8.971 -9.554
517 HB2 SER 62 2HB SER 62 -9.084 7.775 -8.029
518 HB3 SER 62 1HB SER 62 -9.365 9.360 -7.303
519 H GLU 63 H GLU 63 -9.545 9.070 -4.896
520 HA GLU 63 HA GLU 63 -9.545 7.103 -2.956
521 HB2 GLU 63 2HB GLU 63 -11.751 8.876 -3.976
522 HB3 GLU 63 1HB GLU 63 -12.022 7.735 -2.668
523 HG2 GLU 63 2HG GLU 63 -11.540 9.628 -1.500
524 HG3 GLU 63 1HG GLU 63 -9.950 8.878 -1.598
525 H GLU 64 H GLU 64 -11.371 7.177 -5.987
526 HA GLU 64 HA GLU 64 -12.900 4.899 -5.763
527 HB2 GLU 64 2HB GLU 64 -12.652 4.726 -8.267
528 HB3 GLU 64 1HB GLU 64 -13.156 6.302 -7.673
529 HG2 GLU 64 2HG GLU 64 -10.949 7.185 -7.965
530 HG3 GLU 64 1HG GLU 64 -10.322 5.592 -8.385
531 H GLU 65 H GLU 65 -9.481 5.159 -6.430
532 HA GLU 65 HA GLU 65 -9.129 2.450 -7.286
533 HB2 GLU 65 2HB GLU 65 -7.698 4.475 -7.894
534 HB3 GLU 65 1HB GLU 65 -7.009 4.355 -6.284
535 HG2 GLU 65 2HG GLU 65 -5.500 3.285 -7.711
536 HG3 GLU 65 1HG GLU 65 -6.354 1.992 -6.878
537 H PHE 66 H PHE 66 -7.995 4.243 -4.422
538 HA PHE 66 HA PHE 66 -6.914 1.996 -3.126
539 HD1 PHE 66 HD2 PHE 66 -4.531 2.973 -1.909
540 HD2 PHE 66 HD1 PHE 66 -8.025 3.623 0.428
541 HE1 PHE 66 HE2 PHE 66 -3.347 2.147 0.081
542 HE2 PHE 66 HE1 PHE 66 -6.849 2.795 2.423
543 HZ PHE 66 HZ PHE 66 -4.507 2.057 2.250
544 HB2 PHE 66 2HB PHE 66 -6.365 4.420 -2.684
545 HB3 PHE 66 1HB PHE 66 -7.863 4.518 -1.768
546 H ALA 67 H ALA 67 -10.123 3.419 -3.026
547 HA ALA 67 HA ALA 67 -11.109 2.072 -0.769
548 HB1 ALA 67 3HB ALA 67 -13.323 2.546 -1.650
549 HB2 ALA 67 1HB ALA 67 -12.636 2.917 -3.230
550 HB3 ALA 67 2HB ALA 67 -12.272 3.950 -1.845
551 H LEU 68 H LEU 68 -10.808 1.094 -4.138
552 HA LEU 68 HA LEU 68 -12.241 -1.369 -3.808
553 HG LEU 68 HG LEU 68 -12.432 0.860 -5.959
554 HB2 LEU 68 2HB LEU 68 -10.352 -0.448 -5.975
555 HB3 LEU 68 1HB LEU 68 -11.286 -1.930 -6.037
556 HD11 LEU 68 1HD1 LEU 68 -12.270 -1.141 -8.209
557 HD12 LEU 68 2HD1 LEU 68 -11.343 0.353 -8.080
558 HD13 LEU 68 3HD1 LEU 68 -13.096 0.416 -8.266
559 HD21 LEU 68 3HD2 LEU 68 -13.796 -1.811 -6.279
560 HD22 LEU 68 1HD2 LEU 68 -14.572 -0.230 -6.375
561 HD23 LEU 68 2HD2 LEU 68 -13.870 -0.776 -4.852
562 H TRP 69 H TRP 69 -8.869 -0.353 -3.773
563 HA TRP 69 HA TRP 69 -7.635 -2.855 -3.693
564 HD1 TRP 69 HD1 TRP 69 -7.807 -0.944 -5.574
565 HE1 TRP 69 HE1 TRP 69 -6.211 -0.170 -7.439
566 HE3 TRP 69 HE3 TRP 69 -3.540 -0.448 -2.815
567 HZ2 TRP 69 HZ2 TRP 69 -3.492 0.554 -7.694
568 HZ3 TRP 69 HZ3 TRP 69 -1.486 0.290 -3.941
569 HH2 TRP 69 HH2 TRP 69 -1.462 0.778 -6.330
570 HB2 TRP 69 2HB TRP 69 -6.829 -0.240 -2.422
571 HB3 TRP 69 1HB TRP 69 -5.797 -1.666 -2.427
572 H ARG 70 H ARG 70 -8.764 -0.855 -0.957
573 HA ARG 70 HA ARG 70 -8.187 -2.920 0.928
574 HE ARG 70 HE ARG 70 -11.910 1.879 1.660
575 HB2 ARG 70 2HB ARG 70 -9.366 -1.512 2.559
576 HB3 ARG 70 1HB ARG 70 -8.144 -0.626 1.667
577 HG2 ARG 70 2HG ARG 70 -10.001 0.239 0.204
578 HG3 ARG 70 1HG ARG 70 -11.127 -0.471 1.365
579 HD2 ARG 70 2HD ARG 70 -10.058 0.845 3.158
580 HD3 ARG 70 1HD ARG 70 -9.011 1.593 1.956
581 HH11 ARG 70 1HH1 ARG 70 -8.804 3.284 2.410
582 HH12 ARG 70 2HH1 ARG 70 -9.355 4.927 2.321
583 HH21 ARG 70 1HH2 ARG 70 -12.682 4.022 1.582
584 HH22 ARG 70 2HH2 ARG 70 -11.590 5.337 1.877
585 H SER 71 H SER 71 -10.929 -2.154 -1.073
586 HA SER 71 HA SER 71 -12.841 -3.731 0.274
587 HG SER 71 HG SER 71 -14.746 -4.159 -1.163
588 HB2 SER 71 2HB SER 71 -13.481 -2.190 -1.519
589 HB3 SER 71 1HB SER 71 -12.565 -3.142 -2.686
590 H ALA 72 H ALA 72 -10.205 -4.490 -1.882
591 HA ALA 72 HA ALA 72 -10.958 -7.277 -2.085
592 HB1 ALA 72 3HB ALA 72 -8.447 -5.876 -2.993
593 HB2 ALA 72 1HB ALA 72 -9.885 -6.154 -3.974
594 HB3 ALA 72 2HB ALA 72 -8.926 -7.521 -3.407
595 H VAL 73 H VAL 73 -8.277 -5.441 -0.607
596 HA VAL 73 HA VAL 73 -7.160 -7.870 0.488
597 HB VAL 73 HB VAL 73 -6.240 -5.011 0.787
598 HG11 VAL 73 1HG1 VAL 73 -4.837 -7.602 1.439
599 HG12 VAL 73 2HG1 VAL 73 -5.404 -6.401 2.596
600 HG13 VAL 73 3HG1 VAL 73 -4.098 -6.001 1.481
601 HG21 VAL 73 3HG2 VAL 73 -5.303 -7.207 -1.061
602 HG22 VAL 73 1HG2 VAL 73 -4.569 -5.610 -0.905
603 HG23 VAL 73 2HG2 VAL 73 -6.211 -5.769 -1.531
604 H ALA 74 H ALA 74 -8.623 -4.903 1.853
605 HA ALA 74 HA ALA 74 -8.143 -5.707 4.551
606 HB1 ALA 74 3HB ALA 74 -8.420 -3.340 3.929
607 HB2 ALA 74 1HB ALA 74 -9.532 -3.835 5.205
608 HB3 ALA 74 2HB ALA 74 -10.113 -3.653 3.550
609 H ALA 75 H ALA 75 -10.971 -5.796 2.421
610 HA ALA 75 HA ALA 75 -12.645 -7.053 4.376
611 HB1 ALA 75 3HB ALA 75 -13.585 -5.656 2.604
612 HB2 ALA 75 1HB ALA 75 -14.258 -7.286 2.561
613 HB3 ALA 75 2HB ALA 75 -13.025 -6.810 1.394
614 H HIS 76 H HIS 76 -10.031 -8.219 2.821
615 HA HIS 76 HA HIS 76 -10.944 -10.862 2.180
616 HD1 HIS 76 HD1 HIS 76 -8.935 -12.092 -0.091
617 HD2 HIS 76 HD2 HIS 76 -7.332 -12.400 3.737
618 HE1 HIS 76 HE1 HIS 76 -7.849 -14.358 0.012
619 HE2 HIS 76 HE2 HIS 76 -6.769 -14.464 2.287
620 HB2 HIS 76 2HB HIS 76 -8.894 -9.886 1.180
621 HB3 HIS 76 1HB HIS 76 -8.142 -9.858 2.770
622 H GLY 77 H GLY 77 -11.676 -12.210 3.676
623 HA2 GLY 77 2HA GLY 77 -11.477 -13.557 5.600
624 HA3 GLY 77 1HA GLY 77 -10.269 -12.445 6.232
625 H GLU 78 H GLU 78 -13.207 -11.195 4.903
626 HA GLU 78 HA GLU 78 -13.838 -9.782 7.283
627 HB2 GLU 78 2HB GLU 78 -15.869 -9.071 6.059
628 HB3 GLU 78 1HB GLU 78 -14.405 -8.869 5.103
629 HG2 GLU 78 2HG GLU 78 -14.898 -10.795 3.799
630 HG3 GLU 78 1HG GLU 78 -16.230 -11.245 4.863
631 H LYS 79 H LYS 79 -14.570 -12.937 6.248
632 HA LYS 79 HA LYS 79 -17.134 -13.136 7.546
633 HB2 LYS 79 2HB LYS 79 -15.433 -15.419 6.549
634 HB3 LYS 79 1HB LYS 79 -17.173 -15.402 6.800
635 HG2 LYS 79 2HG LYS 79 -15.640 -13.920 4.676
636 HG3 LYS 79 1HG LYS 79 -16.701 -15.309 4.453
637 HD2 LYS 79 2HD LYS 79 -18.610 -13.967 5.204
638 HD3 LYS 79 1HD LYS 79 -17.540 -12.579 5.429
639 HE2 LYS 79 2HE LYS 79 -16.954 -12.731 3.013
640 HE3 LYS 79 1HE LYS 79 -18.181 -13.984 2.841
641 HZ1 LYS 79 3HZ LYS 79 -19.843 -12.375 3.595
642 HZ2 LYS 79 1HZ LYS 79 -19.052 -11.852 2.189
643 HZ3 LYS 79 2HZ LYS 79 -18.648 -11.173 3.685
644 H ALA 80 H ALA 80 -13.906 -13.332 8.531
645 HA ALA 80 HA ALA 80 -14.707 -14.741 10.987
646 HB1 ALA 80 3HB ALA 80 -12.530 -15.805 11.097
647 HB2 ALA 80 1HB ALA 80 -12.046 -15.014 9.598
648 HB3 ALA 80 2HB ALA 80 -13.335 -16.217 9.585
649 H LEU 81 H LEU 81 -14.835 -13.118 12.420
650 HA LEU 81 HA LEU 81 -13.001 -10.898 12.340
651 HG LEU 81 HG LEU 81 -14.865 -9.287 12.311
652 HB2 LEU 81 2HB LEU 81 -15.262 -11.624 14.183
653 HB3 LEU 81 1HB LEU 81 -14.191 -10.282 14.529
654 HD11 LEU 81 1HD1 LEU 81 -15.677 -11.294 11.214
655 HD12 LEU 81 2HD1 LEU 81 -16.959 -10.085 11.310
656 HD13 LEU 81 3HD1 LEU 81 -16.955 -11.458 12.417
657 HD21 LEU 81 3HD2 LEU 81 -15.791 -8.500 14.417
658 HD22 LEU 81 1HD2 LEU 81 -17.035 -9.748 14.351
659 HD23 LEU 81 2HD2 LEU 81 -17.011 -8.462 13.144
660 H LYS 82 H LYS 82 -11.095 -12.224 12.550
661 HA LYS 82 HA LYS 82 -10.507 -13.388 15.124
662 HB2 LYS 82 2HB LYS 82 -9.580 -14.274 12.990
663 HB3 LYS 82 1HB LYS 82 -8.696 -12.773 12.776
664 HG2 LYS 82 2HG LYS 82 -7.323 -13.238 14.678
665 HG3 LYS 82 1HG LYS 82 -8.301 -14.645 15.098
666 HD2 LYS 82 2HD LYS 82 -6.730 -14.333 12.540
667 HD3 LYS 82 1HD LYS 82 -6.188 -15.246 13.953
668 HE2 LYS 82 2HE LYS 82 -8.081 -16.748 13.743
669 HE3 LYS 82 1HE LYS 82 -8.721 -15.798 12.402
670 HZ1 LYS 82 3HZ LYS 82 -6.903 -16.429 11.043
671 HZ2 LYS 82 1HZ LYS 82 -7.500 -17.850 11.750
672 HZ3 LYS 82 2HZ LYS 82 -6.076 -17.142 12.340
673 H VAL 83 H VAL 83 -8.550 -12.586 16.380
674 HA VAL 83 HA VAL 83 -8.961 -10.018 17.297
675 HB VAL 83 HB VAL 83 -7.708 -11.718 18.548
676 HG11 VAL 83 1HG1 VAL 83 -5.315 -12.078 18.092
677 HG12 VAL 83 2HG1 VAL 83 -5.474 -11.133 16.611
678 HG13 VAL 83 3HG1 VAL 83 -6.348 -12.654 16.785
679 HG21 VAL 83 3HG2 VAL 83 -5.998 -10.229 19.510
680 HG22 VAL 83 1HG2 VAL 83 -7.541 -9.411 19.257
681 HG23 VAL 83 2HG2 VAL 83 -6.205 -9.137 18.140
682 H THR 84 H THR 84 -6.891 -11.057 14.677
683 HA THR 84 HA THR 84 -5.444 -8.636 14.382
684 HB THR 84 HB THR 84 -5.951 -10.565 12.138
685 HG1 THR 84 HG1 THR 84 -4.077 -10.972 14.262
686 HG21 THR 84 3HG2 THR 84 -4.554 -8.585 11.723
687 HG22 THR 84 1HG2 THR 84 -3.615 -10.074 11.612
688 HG23 THR 84 2HG2 THR 84 -3.496 -9.062 13.051
689 H MET 85 H MET 85 -8.578 -9.689 13.381
690 HA MET 85 HA MET 85 -8.826 -7.960 11.119
691 HB2 MET 85 2HB MET 85 -10.706 -9.729 12.635
692 HB3 MET 85 1HB MET 85 -11.345 -8.559 11.490
693 HG2 MET 85 2HG MET 85 -11.113 -10.729 10.454
694 HG3 MET 85 1HG MET 85 -10.013 -9.570 9.709
695 HE1 MET 85 3HE MET 85 -8.086 -13.003 9.514
696 HE2 MET 85 1HE MET 85 -8.729 -11.649 8.586
697 HE3 MET 85 2HE MET 85 -9.832 -12.767 9.389
698 H ILE 86 H ILE 86 -9.304 -7.615 14.509
699 HA ILE 86 HA ILE 86 -11.200 -5.529 14.457
700 HB ILE 86 HB ILE 86 -9.192 -6.338 16.552
701 HG12 ILE 86 2HG1 ILE 86 -11.536 -6.702 17.714
702 HG13 ILE 86 1HG1 ILE 86 -12.104 -6.737 16.046
703 HG21 ILE 86 1HG2 ILE 86 -9.518 -3.933 16.783
704 HG22 ILE 86 2HG2 ILE 86 -10.296 -4.804 18.104
705 HG23 ILE 86 3HG2 ILE 86 -11.266 -4.162 16.778
706 HD11 ILE 86 3HD1 ILE 86 -10.552 -8.562 15.571
707 HD12 ILE 86 1HD1 ILE 86 -11.697 -8.966 16.851
708 HD13 ILE 86 2HD1 ILE 86 -10.034 -8.542 17.257
709 H GLN 87 H GLN 87 -7.738 -5.553 13.985
710 HA GLN 87 HA GLN 87 -7.226 -2.812 14.306
711 HB2 GLN 87 2HB GLN 87 -5.439 -4.475 14.040
712 HB3 GLN 87 1HB GLN 87 -5.945 -4.762 12.382
713 HG2 GLN 87 2HG GLN 87 -5.342 -2.501 11.772
714 HG3 GLN 87 1HG GLN 87 -4.914 -2.140 13.442
715 HE21 GLN 87 1HE2 GLN 87 -3.038 -2.993 14.311
716 HE22 GLN 87 2HE2 GLN 87 -1.775 -3.648 13.315
717 H LYS 88 H LYS 88 -8.425 -4.663 11.557
718 HA LYS 88 HA LYS 88 -8.500 -2.546 9.697
719 HB2 LYS 88 2HB LYS 88 -10.280 -4.987 9.845
720 HB3 LYS 88 1HB LYS 88 -10.060 -3.957 8.437
721 HG2 LYS 88 2HG LYS 88 -7.740 -4.632 8.273
722 HG3 LYS 88 1HG LYS 88 -7.905 -5.611 9.735
723 HD2 LYS 88 2HD LYS 88 -9.568 -7.006 8.624
724 HD3 LYS 88 1HD LYS 88 -9.443 -6.016 7.167
725 HE2 LYS 88 2HE LYS 88 -7.093 -6.653 6.943
726 HE3 LYS 88 1HE LYS 88 -7.216 -7.638 8.399
727 HZ1 LYS 88 3HZ LYS 88 -7.404 -8.949 6.349
728 HZ2 LYS 88 1HZ LYS 88 -8.791 -8.075 5.913
729 HZ3 LYS 88 2HZ LYS 88 -8.806 -9.054 7.293
730 H TYR 89 H TYR 89 -10.685 -3.619 12.212
731 HA TYR 89 HA TYR 89 -12.891 -2.033 11.253
732 HD1 TYR 89 HD2 TYR 89 -13.698 -3.724 10.345
733 HD2 TYR 89 HD1 TYR 89 -13.083 -5.796 14.010
734 HE1 TYR 89 HE2 TYR 89 -14.052 -5.862 9.187
735 HE2 TYR 89 HE1 TYR 89 -13.436 -7.940 12.859
736 HH TYR 89 HH TYR 89 -14.568 -8.775 10.807
737 HB2 TYR 89 2HB TYR 89 -12.609 -3.495 13.888
738 HB3 TYR 89 1HB TYR 89 -14.101 -2.865 13.198
739 H ARG 90 H ARG 90 -10.346 -1.660 13.640
740 HA ARG 90 HA ARG 90 -11.571 0.595 14.920
741 HE ARG 90 HE ARG 90 -6.996 1.271 16.229
742 HB2 ARG 90 2HB ARG 90 -9.380 0.926 16.014
743 HB3 ARG 90 1HB ARG 90 -9.952 -0.728 16.163
744 HG2 ARG 90 2HG ARG 90 -8.462 -1.385 14.321
745 HG3 ARG 90 1HG ARG 90 -7.866 0.270 14.238
746 HD2 ARG 90 2HD ARG 90 -7.724 -1.388 16.740
747 HD3 ARG 90 1HD ARG 90 -6.447 -1.384 15.526
748 HH11 ARG 90 1HH1 ARG 90 -5.676 -1.629 17.669
749 HH12 ARG 90 2HH1 ARG 90 -4.610 -0.774 18.740
750 HH21 ARG 90 1HH2 ARG 90 -5.599 2.406 17.603
751 HH22 ARG 90 2HH2 ARG 90 -4.562 1.537 18.694
752 H GLN 91 H GLN 91 -9.438 0.124 12.192
753 HA GLN 91 HA GLN 91 -9.082 3.011 11.897
754 HB2 GLN 91 2HB GLN 91 -7.207 1.337 11.508
755 HB3 GLN 91 1HB GLN 91 -8.077 0.828 10.068
756 HG2 GLN 91 2HG GLN 91 -7.924 3.159 9.225
757 HG3 GLN 91 1HG GLN 91 -6.920 3.552 10.619
758 HE21 GLN 91 1HE2 GLN 91 -5.125 4.052 9.397
759 HE22 GLN 91 2HE2 GLN 91 -4.206 2.860 8.543
760 H LEU 92 H LEU 92 -11.414 0.837 11.222
761 HA LEU 92 HA LEU 92 -11.991 1.231 8.496
762 HG LEU 92 HG LEU 92 -12.752 -1.199 8.385
763 HB2 LEU 92 2HB LEU 92 -13.056 -0.265 10.619
764 HB3 LEU 92 1HB LEU 92 -14.372 0.736 10.041
765 HD11 LEU 92 1HD1 LEU 92 -14.867 -2.418 8.207
766 HD12 LEU 92 2HD1 LEU 92 -15.623 -1.256 9.297
767 HD13 LEU 92 3HD1 LEU 92 -14.322 -2.294 9.881
768 HD21 LEU 92 3HD2 LEU 92 -13.398 0.765 7.084
769 HD22 LEU 92 1HD2 LEU 92 -15.073 0.551 7.589
770 HD23 LEU 92 2HD2 LEU 92 -14.296 -0.665 6.577
771 H HIS 93 H HIS 93 -12.558 3.008 7.542
772 HA HIS 93 HA HIS 93 -14.746 4.611 8.633
773 HD1 HIS 93 HD1 HIS 93 -14.219 7.399 10.182
774 HD2 HIS 93 HD2 HIS 93 -10.783 5.061 9.956
775 HE1 HIS 93 HE1 HIS 93 -13.131 7.568 12.444
776 HE2 HIS 93 HE2 HIS 93 -11.139 6.025 12.337
777 HB2 HIS 93 2HB HIS 93 -12.138 5.753 7.576
778 HB3 HIS 93 1HB HIS 93 -13.602 6.701 7.797
779 H HIS 94 H HIS 94 -15.904 5.757 6.891
780 HA HIS 94 HA HIS 94 -16.034 4.277 4.474
781 HD1 HIS 94 HD1 HIS 94 -19.310 4.372 3.948
782 HD2 HIS 94 HD2 HIS 94 -16.981 7.160 1.911
783 HE1 HIS 94 HE1 HIS 94 -20.147 4.356 1.577
784 HE2 HIS 94 HE2 HIS 94 -18.606 5.905 0.331
785 HB2 HIS 94 2HB HIS 94 -17.864 5.760 5.490
786 HB3 HIS 94 1HB HIS 94 -16.996 7.123 4.796
787 H HIS 95 H HIS 95 -14.676 7.424 5.303
788 HA HIS 95 HA HIS 95 -12.323 6.874 3.816
789 HD1 HIS 95 HD1 HIS 95 -12.425 10.984 2.116
790 HD2 HIS 95 HD2 HIS 95 -10.826 7.189 1.552
791 HE1 HIS 95 HE1 HIS 95 -10.137 11.346 1.134
792 HE2 HIS 95 HE2 HIS 95 -9.097 9.043 1.076
793 HB2 HIS 95 2HB HIS 95 -13.762 7.671 1.945
794 HB3 HIS 95 1HB HIS 95 -13.998 9.192 2.807
Start of MODEL 5
1 HA MET 1 HA MET 1 -2.302 9.862 17.875
2 H1 MET 1 1H MET 1 -0.924 11.424 19.066
3 H2 MET 1 2H MET 1 -0.981 11.833 17.418
4 H3 MET 1 3H MET 1 0.389 11.082 18.057
5 HB2 MET 1 2HB MET 1 -1.406 8.464 16.120
6 HB3 MET 1 1HB MET 1 -1.145 10.146 15.682
7 HG2 MET 1 2HG MET 1 1.167 10.003 16.336
8 HG3 MET 1 1HG MET 1 0.933 8.354 16.912
9 HE1 MET 1 3HE MET 1 2.926 7.402 15.491
10 HE2 MET 1 1HE MET 1 3.283 9.045 14.961
11 HE3 MET 1 2HE MET 1 3.158 7.745 13.775
12 H TYR 2 H TYR 2 0.654 9.988 19.483
13 HA TYR 2 HA TYR 2 0.208 7.768 21.139
14 HD1 TYR 2 HD2 TYR 2 -0.627 5.415 19.964
15 HD2 TYR 2 HD1 TYR 2 3.504 5.547 20.959
16 HE1 TYR 2 HE2 TYR 2 -0.837 3.242 21.095
17 HE2 TYR 2 HE1 TYR 2 3.305 3.374 22.090
18 HH TYR 2 HH TYR 2 1.605 1.971 23.120
19 HB2 TYR 2 2HB TYR 2 1.074 6.878 18.718
20 HB3 TYR 2 1HB TYR 2 2.616 7.168 19.516
21 H LEU 3 H LEU 3 3.144 8.949 19.552
22 HA LEU 3 HA LEU 3 4.080 10.125 22.050
23 HG LEU 3 HG LEU 3 6.072 8.622 22.011
24 HB2 LEU 3 2HB LEU 3 5.364 9.806 19.330
25 HB3 LEU 3 1HB LEU 3 6.096 10.739 20.618
26 HD11 LEU 3 1HD1 LEU 3 5.496 7.350 19.339
27 HD12 LEU 3 2HD1 LEU 3 4.415 7.371 20.731
28 HD13 LEU 3 3HD1 LEU 3 5.944 6.500 20.819
29 HD21 LEU 3 3HD2 LEU 3 8.098 9.477 20.990
30 HD22 LEU 3 1HD2 LEU 3 7.701 8.670 19.473
31 HD23 LEU 3 2HD2 LEU 3 8.070 7.716 20.910
32 H LYS 4 H LYS 4 5.249 12.394 21.511
33 HA LYS 4 HA LYS 4 3.058 14.106 20.668
34 HB2 LYS 4 2HB LYS 4 5.681 14.613 22.030
35 HB3 LYS 4 1HB LYS 4 4.789 15.944 21.309
36 HG2 LYS 4 2HG LYS 4 4.229 15.875 23.608
37 HG3 LYS 4 1HG LYS 4 2.831 15.288 22.712
38 HD2 LYS 4 2HD LYS 4 3.523 12.973 23.205
39 HD3 LYS 4 1HD LYS 4 4.873 13.599 24.156
40 HE2 LYS 4 2HE LYS 4 3.223 14.787 25.590
41 HE3 LYS 4 1HE LYS 4 1.931 13.988 24.692
42 HZ1 LYS 4 3HZ LYS 4 4.053 12.614 26.256
43 HZ2 LYS 4 1HZ LYS 4 2.792 11.852 25.410
44 HZ3 LYS 4 2HZ LYS 4 2.444 12.829 26.753
45 H ARG 5 H ARG 5 5.529 12.600 19.122
46 HA ARG 5 HA ARG 5 5.368 14.504 16.898
47 HE ARG 5 HE ARG 5 10.210 12.969 17.508
48 HB2 ARG 5 2HB ARG 5 7.559 14.800 18.025
49 HB3 ARG 5 1HB ARG 5 7.894 13.089 17.787
50 HG2 ARG 5 2HG ARG 5 7.690 13.485 15.323
51 HG3 ARG 5 1HG ARG 5 7.600 15.212 15.675
52 HD2 ARG 5 2HD ARG 5 9.870 14.532 15.073
53 HD3 ARG 5 1HD ARG 5 9.792 15.122 16.736
54 HH11 ARG 5 1HH1 ARG 5 9.857 12.965 14.014
55 HH12 ARG 5 2HH1 ARG 5 10.534 11.378 13.834
56 HH21 ARG 5 1HH2 ARG 5 11.102 10.888 17.257
57 HH22 ARG 5 2HH2 ARG 5 11.231 10.198 15.655
58 H VAL 6 H VAL 6 5.277 13.545 14.877
59 HA VAL 6 HA VAL 6 4.677 10.702 14.870
60 HB VAL 6 HB VAL 6 4.565 12.684 12.587
61 HG11 VAL 6 1HG1 VAL 6 3.422 9.901 12.827
62 HG12 VAL 6 2HG1 VAL 6 4.788 10.381 11.819
63 HG13 VAL 6 3HG1 VAL 6 3.177 11.007 11.473
64 HG21 VAL 6 3HG2 VAL 6 3.012 13.302 14.349
65 HG22 VAL 6 1HG2 VAL 6 2.363 11.662 14.379
66 HG23 VAL 6 2HG2 VAL 6 2.137 12.674 12.952
67 H ASP 7 H ASP 7 6.609 9.658 15.104
68 HA ASP 7 HA ASP 7 8.813 10.197 13.314
69 HB2 ASP 7 2HB ASP 7 9.109 9.347 15.682
70 HB3 ASP 7 1HB ASP 7 8.459 7.805 15.137
71 H GLY 8 H GLY 8 8.975 9.398 11.327
72 HA2 GLY 8 2HA GLY 8 6.910 7.903 10.151
73 HA3 GLY 8 1HA GLY 8 8.472 8.227 9.419
74 HA PRO 9 HA PRO 9 8.266 3.813 11.489
75 HB2 PRO 9 2HB PRO 9 5.871 2.954 10.017
76 HB3 PRO 9 1HB PRO 9 6.277 2.727 11.721
77 HG2 PRO 9 2HG PRO 9 4.338 4.420 10.945
78 HG3 PRO 9 1HG PRO 9 5.373 4.757 12.347
79 HD2 PRO 9 2HD PRO 9 5.542 5.852 9.559
80 HD3 PRO 9 1HD PRO 9 5.730 6.694 11.112
81 H ARG 10 H ARG 10 9.778 2.776 10.367
82 HA ARG 10 HA ARG 10 9.697 2.939 7.450
83 HE ARG 10 HE ARG 10 13.533 4.200 6.617
84 HB2 ARG 10 2HB ARG 10 11.933 2.055 9.281
85 HB3 ARG 10 1HB ARG 10 12.054 2.280 7.540
86 HG2 ARG 10 2HG ARG 10 11.526 4.662 7.824
87 HG3 ARG 10 1HG ARG 10 11.471 4.425 9.571
88 HD2 ARG 10 2HD ARG 10 13.614 5.308 9.035
89 HD3 ARG 10 1HD ARG 10 13.828 3.609 9.448
90 HH11 ARG 10 1HH1 ARG 10 15.676 3.524 9.306
91 HH12 ARG 10 2HH1 ARG 10 17.060 3.226 8.287
92 HH21 ARG 10 1HH2 ARG 10 15.353 3.829 5.285
93 HH22 ARG 10 2HH2 ARG 10 16.869 3.387 6.011
94 H GLN 11 H GLN 11 8.963 0.772 9.920
95 HA GLN 11 HA GLN 11 8.472 -1.289 7.954
96 HB2 GLN 11 2HB GLN 11 9.608 -3.064 9.130
97 HB3 GLN 11 1HB GLN 11 10.765 -1.792 8.769
98 HG2 GLN 11 2HG GLN 11 10.609 -0.984 11.058
99 HG3 GLN 11 1HG GLN 11 9.419 -2.233 11.422
100 HE21 GLN 11 1HE2 GLN 11 10.632 -3.233 12.985
101 HE22 GLN 11 2HE2 GLN 11 12.088 -4.110 12.636
102 H VAL 12 H VAL 12 6.739 -2.540 8.448
103 HA VAL 12 HA VAL 12 5.583 -2.297 11.138
104 HB VAL 12 HB VAL 12 3.309 -2.271 10.124
105 HG11 VAL 12 1HG1 VAL 12 4.299 -0.212 10.949
106 HG12 VAL 12 2HG1 VAL 12 3.326 0.110 9.514
107 HG13 VAL 12 3HG1 VAL 12 5.087 0.054 9.394
108 HG21 VAL 12 3HG2 VAL 12 3.861 -3.185 7.936
109 HG22 VAL 12 1HG2 VAL 12 4.798 -1.739 7.554
110 HG23 VAL 12 2HG2 VAL 12 3.051 -1.626 7.776
111 H THR 13 H THR 13 4.171 -4.055 11.724
112 HA THR 13 HA THR 13 5.079 -6.549 10.514
113 HB THR 13 HB THR 13 3.513 -6.209 13.078
114 HG1 THR 13 HG1 THR 13 6.330 -6.563 12.937
115 HG21 THR 13 3HG2 THR 13 4.510 -8.392 13.632
116 HG22 THR 13 1HG2 THR 13 5.282 -8.431 12.046
117 HG23 THR 13 2HG2 THR 13 3.524 -8.472 12.174
118 H LEU 14 H LEU 14 3.762 -7.964 9.511
119 HA LEU 14 HA LEU 14 1.034 -7.123 8.938
120 HG LEU 14 HG LEU 14 2.340 -8.354 5.671
121 HB2 LEU 14 2HB LEU 14 2.714 -9.413 7.910
122 HB3 LEU 14 1HB LEU 14 1.041 -9.175 7.461
123 HD11 LEU 14 1HD1 LEU 14 1.515 -5.966 7.301
124 HD12 LEU 14 2HD1 LEU 14 0.447 -6.941 6.293
125 HD13 LEU 14 3HD1 LEU 14 1.755 -6.017 5.553
126 HD21 LEU 14 3HD2 LEU 14 4.454 -8.175 6.937
127 HD22 LEU 14 1HD2 LEU 14 3.884 -6.646 7.603
128 HD23 LEU 14 2HD2 LEU 14 4.147 -6.811 5.867
129 HA PRO 15 HA PRO 15 -0.867 -10.236 11.600
130 HB2 PRO 15 2HB PRO 15 -2.905 -10.694 9.552
131 HB3 PRO 15 1HB PRO 15 -3.088 -9.982 11.156
132 HG2 PRO 15 2HG PRO 15 -3.330 -8.536 8.880
133 HG3 PRO 15 1HG PRO 15 -2.722 -7.848 10.398
134 HD2 PRO 15 2HD PRO 15 -1.197 -8.758 7.981
135 HD3 PRO 15 1HD PRO 15 -0.936 -7.335 9.012
136 H ASP 16 H ASP 16 0.127 -10.642 8.366
137 HA ASP 16 HA ASP 16 -0.209 -13.466 8.126
138 HB2 ASP 16 2HB ASP 16 1.749 -11.716 6.620
139 HB3 ASP 16 1HB ASP 16 1.068 -13.250 6.098
140 H GLY 17 H GLY 17 1.925 -11.464 9.827
141 HA2 GLY 17 2HA GLY 17 3.585 -12.226 11.322
142 HA3 GLY 17 1HA GLY 17 3.687 -13.724 10.407
143 H THR 18 H THR 18 3.614 -11.248 8.254
144 HA THR 18 HA THR 18 6.447 -11.501 7.694
145 HB THR 18 HB THR 18 4.592 -9.797 6.078
146 HG1 THR 18 HG1 THR 18 4.610 -12.615 5.760
147 HG21 THR 18 3HG2 THR 18 5.834 -10.790 4.214
148 HG22 THR 18 1HG2 THR 18 6.726 -11.806 5.345
149 HG23 THR 18 2HG2 THR 18 6.925 -10.054 5.387
150 H VAL 19 H VAL 19 7.613 -9.465 6.973
151 HA VAL 19 HA VAL 19 6.859 -7.144 8.623
152 HB VAL 19 HB VAL 19 9.627 -8.000 7.739
153 HG11 VAL 19 1HG1 VAL 19 10.436 -6.083 9.052
154 HG12 VAL 19 2HG1 VAL 19 8.769 -5.579 9.329
155 HG13 VAL 19 3HG1 VAL 19 9.432 -5.574 7.693
156 HG21 VAL 19 3HG2 VAL 19 8.356 -7.866 10.473
157 HG22 VAL 19 1HG2 VAL 19 10.052 -8.225 10.155
158 HG23 VAL 19 2HG2 VAL 19 8.798 -9.328 9.588
159 H LEU 20 H LEU 20 6.345 -5.370 7.558
160 HA LEU 20 HA LEU 20 7.042 -5.190 4.700
161 HG LEU 20 HG LEU 20 5.245 -2.516 4.484
162 HB2 LEU 20 2HB LEU 20 4.674 -5.427 4.989
163 HB3 LEU 20 1HB LEU 20 4.638 -4.194 6.228
164 HD11 LEU 20 1HD1 LEU 20 6.299 -4.039 2.893
165 HD12 LEU 20 2HD1 LEU 20 4.991 -3.126 2.143
166 HD13 LEU 20 3HD1 LEU 20 4.740 -4.811 2.600
167 HD21 LEU 20 3HD2 LEU 20 2.741 -4.111 3.970
168 HD22 LEU 20 1HD2 LEU 20 3.022 -2.436 3.499
169 HD23 LEU 20 2HD2 LEU 20 2.937 -2.870 5.208
170 H SER 21 H SER 21 8.715 -3.835 4.490
171 HA SER 21 HA SER 21 8.826 -1.481 6.230
172 HG SER 21 HG SER 21 10.533 -3.378 3.753
173 HB2 SER 21 2HB SER 21 11.149 -1.278 5.572
174 HB3 SER 21 1HB SER 21 10.845 -2.938 6.063
175 H ARG 22 H ARG 22 9.708 0.545 5.092
176 HA ARG 22 HA ARG 22 7.874 1.198 3.009
177 HE ARG 22 HE ARG 22 8.824 5.442 3.336
178 HB2 ARG 22 2HB ARG 22 10.162 2.760 4.213
179 HB3 ARG 22 1HB ARG 22 9.092 3.404 2.974
180 HG2 ARG 22 2HG ARG 22 7.172 2.913 4.528
181 HG3 ARG 22 1HG ARG 22 8.375 2.564 5.770
182 HD2 ARG 22 2HD ARG 22 7.509 4.868 5.911
183 HD3 ARG 22 1HD ARG 22 9.247 4.818 5.609
184 HH11 ARG 22 1HH1 ARG 22 6.041 5.718 5.471
185 HH12 ARG 22 2HH1 ARG 22 5.179 6.773 4.391
186 HH21 ARG 22 1HH2 ARG 22 7.671 6.811 1.933
187 HH22 ARG 22 2HH2 ARG 22 6.083 7.368 2.382
188 H ALA 23 H ALA 23 10.800 -0.385 2.973
189 HA ALA 23 HA ALA 23 11.509 0.452 0.275
190 HB1 ALA 23 3HB ALA 23 13.422 -1.030 0.519
191 HB2 ALA 23 1HB ALA 23 12.780 -1.634 2.046
192 HB3 ALA 23 2HB ALA 23 13.297 0.048 1.910
193 H ASP 24 H ASP 24 9.421 -1.712 1.740
194 HA ASP 24 HA ASP 24 9.603 -3.751 -0.336
195 HB2 ASP 24 2HB ASP 24 7.873 -3.497 2.123
196 HB3 ASP 24 1HB ASP 24 7.646 -4.768 0.929
197 H LEU 25 H LEU 25 8.223 -0.783 -0.010
198 HA LEU 25 HA LEU 25 5.676 -1.188 -1.184
199 HG LEU 25 HG LEU 25 6.263 0.558 1.103
200 HB2 LEU 25 2HB LEU 25 7.484 1.201 -0.962
201 HB3 LEU 25 1HB LEU 25 5.955 1.278 -1.814
202 HD11 LEU 25 1HD1 LEU 25 5.365 2.764 1.555
203 HD12 LEU 25 2HD1 LEU 25 5.297 3.118 -0.170
204 HD13 LEU 25 3HD1 LEU 25 6.856 2.898 0.624
205 HD21 LEU 25 3HD2 LEU 25 3.809 1.126 -0.556
206 HD22 LEU 25 1HD2 LEU 25 3.838 0.807 1.179
207 HD23 LEU 25 2HD2 LEU 25 4.307 -0.455 0.041
208 HA PRO 26 HA PRO 26 6.836 -2.143 -5.343
209 HB2 PRO 26 2HB PRO 26 4.484 -1.361 -6.536
210 HB3 PRO 26 1HB PRO 26 4.693 -2.896 -5.690
211 HG2 PRO 26 2HG PRO 26 3.494 -0.340 -4.703
212 HG3 PRO 26 1HG PRO 26 2.922 -2.006 -4.486
213 HD2 PRO 26 2HD PRO 26 4.230 -0.713 -2.538
214 HD3 PRO 26 1HD PRO 26 4.471 -2.451 -2.817
215 HA PRO 27 HA PRO 27 8.436 1.617 -6.975
216 HB2 PRO 27 2HB PRO 27 8.454 1.002 -9.656
217 HB3 PRO 27 1HB PRO 27 9.667 0.452 -8.497
218 HG2 PRO 27 2HG PRO 27 7.271 -0.989 -9.566
219 HG3 PRO 27 1HG PRO 27 8.916 -1.599 -9.289
220 HD2 PRO 27 2HD PRO 27 6.919 -2.124 -7.578
221 HD3 PRO 27 1HD PRO 27 8.577 -1.832 -7.006
222 H LEU 28 H LEU 28 7.863 3.502 -8.070
223 HA LEU 28 HA LEU 28 5.063 4.026 -8.158
224 HG LEU 28 HG LEU 28 7.715 5.271 -6.785
225 HB2 LEU 28 2HB LEU 28 7.330 5.753 -9.150
226 HB3 LEU 28 1HB LEU 28 5.699 6.286 -8.790
227 HD11 LEU 28 1HD1 LEU 28 6.585 8.026 -7.247
228 HD12 LEU 28 2HD1 LEU 28 8.225 7.500 -7.625
229 HD13 LEU 28 3HD1 LEU 28 7.683 7.560 -5.948
230 HD21 LEU 28 3HD2 LEU 28 5.462 4.636 -6.143
231 HD22 LEU 28 1HD2 LEU 28 4.909 6.294 -6.383
232 HD23 LEU 28 2HD2 LEU 28 6.065 5.926 -5.103
233 H ASP 29 H ASP 29 7.362 3.010 -10.472
234 HA ASP 29 HA ASP 29 5.964 4.001 -12.786
235 HB2 ASP 29 2HB ASP 29 8.487 3.517 -12.557
236 HB3 ASP 29 1HB ASP 29 8.055 1.829 -12.797
237 H THR 30 H THR 30 5.069 1.781 -10.657
238 HA THR 30 HA THR 30 4.323 -0.365 -12.437
239 HB THR 30 HB THR 30 3.619 0.105 -9.534
240 HG1 THR 30 HG1 THR 30 5.740 -0.324 -9.548
241 HG21 THR 30 3HG2 THR 30 1.988 -1.350 -10.602
242 HG22 THR 30 1HG2 THR 30 3.017 -2.282 -9.512
243 HG23 THR 30 2HG2 THR 30 3.285 -2.353 -11.253
244 H ARG 31 H ARG 31 2.810 0.297 -13.896
245 HA ARG 31 HA ARG 31 0.247 1.150 -12.747
246 HE ARG 31 HE ARG 31 2.750 3.400 -15.728
247 HB2 ARG 31 2HB ARG 31 1.479 1.561 -15.438
248 HB3 ARG 31 1HB ARG 31 -0.270 1.444 -15.328
249 HG2 ARG 31 2HG ARG 31 0.296 3.744 -15.253
250 HG3 ARG 31 1HG ARG 31 -0.208 3.278 -13.630
251 HD2 ARG 31 2HD ARG 31 1.696 4.607 -13.312
252 HD3 ARG 31 1HD ARG 31 2.269 2.949 -13.136
253 HH11 ARG 31 1HH1 ARG 31 3.484 5.269 -12.861
254 HH12 ARG 31 2HH1 ARG 31 4.837 6.091 -13.577
255 HH21 ARG 31 1HH2 ARG 31 4.549 4.468 -16.675
256 HH22 ARG 31 2HH2 ARG 31 5.452 5.623 -15.737
257 H ARG 32 H ARG 32 -1.659 0.193 -14.052
258 HA ARG 32 HA ARG 32 -2.907 -1.640 -14.600
259 HE ARG 32 HE ARG 32 -3.013 -6.183 -16.834
260 HB2 ARG 32 2HB ARG 32 -1.143 -2.356 -16.183
261 HB3 ARG 32 1HB ARG 32 -0.288 -3.141 -14.859
262 HG2 ARG 32 2HG ARG 32 -2.281 -4.589 -14.526
263 HG3 ARG 32 1HG ARG 32 -2.975 -3.886 -15.987
264 HD2 ARG 32 2HD ARG 32 -0.990 -4.635 -17.250
265 HD3 ARG 32 1HD ARG 32 -0.381 -5.411 -15.789
266 HH11 ARG 32 1HH1 ARG 32 0.336 -6.976 -16.163
267 HH12 ARG 32 2HH1 ARG 32 0.124 -8.679 -16.436
268 HH21 ARG 32 1HH2 ARG 32 -3.296 -8.425 -17.199
269 HH22 ARG 32 2HH2 ARG 32 -1.940 -9.503 -17.060
270 H TRP 33 H TRP 33 -0.089 -2.581 -12.677
271 HA TRP 33 HA TRP 33 0.138 -3.268 -10.534
272 HD1 TRP 33 HD1 TRP 33 -2.063 -0.015 -11.238
273 HE1 TRP 33 HE1 TRP 33 -0.853 1.913 -10.036
274 HE3 TRP 33 HE3 TRP 33 -0.113 -2.627 -7.312
275 HZ2 TRP 33 HZ2 TRP 33 0.714 2.266 -7.717
276 HZ3 TRP 33 HZ3 TRP 33 1.225 -1.423 -5.641
277 HH2 TRP 33 HH2 TRP 33 1.630 0.972 -5.841
278 HB2 TRP 33 2HB TRP 33 -2.764 -2.481 -10.379
279 HB3 TRP 33 1HB TRP 33 -1.877 -3.129 -9.004
280 H VAL 34 H VAL 34 -0.245 -5.018 -9.140
281 HA VAL 34 HA VAL 34 -2.065 -7.093 -10.105
282 HB VAL 34 HB VAL 34 -0.387 -8.833 -9.502
283 HG11 VAL 34 1HG1 VAL 34 -0.670 -8.245 -11.828
284 HG12 VAL 34 2HG1 VAL 34 1.038 -8.540 -11.508
285 HG13 VAL 34 3HG1 VAL 34 0.441 -6.886 -11.658
286 HG21 VAL 34 3HG2 VAL 34 1.519 -6.502 -9.322
287 HG22 VAL 34 1HG2 VAL 34 1.968 -8.207 -9.273
288 HG23 VAL 34 2HG2 VAL 34 0.988 -7.515 -7.981
289 H ALA 35 H ALA 35 -2.469 -8.726 -8.331
290 HA ALA 35 HA ALA 35 -3.586 -7.339 -6.189
291 HB1 ALA 35 3HB ALA 35 -4.153 -9.500 -5.262
292 HB2 ALA 35 1HB ALA 35 -2.981 -10.284 -6.324
293 HB3 ALA 35 2HB ALA 35 -4.404 -9.498 -7.008
294 H SER 36 H SER 36 -0.567 -9.187 -6.322
295 HA SER 36 HA SER 36 0.019 -9.211 -3.599
296 HG SER 36 HG SER 36 2.847 -9.339 -6.503
297 HB2 SER 36 2HB SER 36 2.417 -9.444 -4.393
298 HB3 SER 36 1HB SER 36 1.272 -10.602 -5.074
299 H ARG 37 H ARG 37 0.944 -6.823 -6.060
300 HA ARG 37 HA ARG 37 2.420 -5.171 -4.276
301 HE ARG 37 HE ARG 37 5.490 -5.694 -8.133
302 HB2 ARG 37 2HB ARG 37 1.184 -4.492 -6.947
303 HB3 ARG 37 1HB ARG 37 2.358 -3.505 -6.083
304 HG2 ARG 37 2HG ARG 37 3.930 -5.452 -6.197
305 HG3 ARG 37 1HG ARG 37 2.771 -6.233 -7.270
306 HD2 ARG 37 2HD ARG 37 2.953 -4.367 -8.833
307 HD3 ARG 37 1HD ARG 37 4.104 -3.576 -7.754
308 HH11 ARG 37 1HH1 ARG 37 3.321 -4.330 -10.514
309 HH12 ARG 37 2HH1 ARG 37 4.222 -4.912 -11.876
310 HH21 ARG 37 1HH2 ARG 37 6.689 -6.467 -9.911
311 HH22 ARG 37 2HH2 ARG 37 6.145 -6.139 -11.533
312 H LYS 38 H LYS 38 -0.907 -5.117 -5.451
313 HA LYS 38 HA LYS 38 -1.677 -2.698 -4.239
314 HB2 LYS 38 2HB LYS 38 -3.272 -5.146 -4.985
315 HB3 LYS 38 1HB LYS 38 -4.012 -3.698 -4.317
316 HG2 LYS 38 2HG LYS 38 -3.020 -2.413 -6.217
317 HG3 LYS 38 1HG LYS 38 -2.515 -3.953 -6.914
318 HD2 LYS 38 2HD LYS 38 -4.786 -4.681 -7.125
319 HD3 LYS 38 1HD LYS 38 -5.370 -3.292 -6.204
320 HE2 LYS 38 2HE LYS 38 -4.504 -1.804 -7.982
321 HE3 LYS 38 1HE LYS 38 -4.037 -3.227 -8.909
322 HZ1 LYS 38 3HZ LYS 38 -6.186 -2.220 -9.564
323 HZ2 LYS 38 1HZ LYS 38 -6.820 -2.666 -8.061
324 HZ3 LYS 38 2HZ LYS 38 -6.300 -3.859 -9.148
325 H ALA 39 H ALA 39 -1.684 -6.028 -3.053
326 HA ALA 39 HA ALA 39 -2.926 -5.545 -0.580
327 HB1 ALA 39 3HB ALA 39 -2.629 -7.786 -1.511
328 HB2 ALA 39 1HB ALA 39 -1.973 -7.673 0.121
329 HB3 ALA 39 2HB ALA 39 -0.886 -7.658 -1.267
330 H ALA 40 H ALA 40 0.462 -5.390 -1.572
331 HA ALA 40 HA ALA 40 1.560 -4.969 0.985
332 HB1 ALA 40 3HB ALA 40 3.529 -4.148 -0.183
333 HB2 ALA 40 1HB ALA 40 2.603 -4.005 -1.676
334 HB3 ALA 40 2HB ALA 40 2.897 -5.594 -0.970
335 H VAL 41 H VAL 41 0.442 -2.695 -1.502
336 HA VAL 41 HA VAL 41 1.180 -0.334 -0.152
337 HB VAL 41 HB VAL 41 -1.032 -0.745 -2.169
338 HG11 VAL 41 1HG1 VAL 41 0.316 1.810 -1.299
339 HG12 VAL 41 2HG1 VAL 41 -1.325 1.326 -0.878
340 HG13 VAL 41 3HG1 VAL 41 -0.907 1.653 -2.561
341 HG21 VAL 41 3HG2 VAL 41 1.814 0.172 -2.508
342 HG22 VAL 41 1HG2 VAL 41 0.595 0.120 -3.779
343 HG23 VAL 41 2HG2 VAL 41 1.148 -1.375 -3.026
344 H VAL 42 H VAL 42 -1.929 -2.086 -0.249
345 HA VAL 42 HA VAL 42 -3.281 -0.191 1.349
346 HB VAL 42 HB VAL 42 -4.488 -1.763 -0.099
347 HG11 VAL 42 1HG1 VAL 42 -4.888 -4.068 0.619
348 HG12 VAL 42 2HG1 VAL 42 -3.722 -3.857 1.924
349 HG13 VAL 42 3HG1 VAL 42 -3.190 -3.777 0.246
350 HG21 VAL 42 3HG2 VAL 42 -5.226 -1.937 2.815
351 HG22 VAL 42 1HG2 VAL 42 -6.304 -2.289 1.465
352 HG23 VAL 42 2HG2 VAL 42 -5.676 -0.655 1.689
353 H LYS 43 H LYS 43 -1.579 -3.205 2.182
354 HA LYS 43 HA LYS 43 -2.282 -3.152 4.924
355 HB2 LYS 43 2HB LYS 43 0.033 -4.462 3.495
356 HB3 LYS 43 1HB LYS 43 -0.284 -4.664 5.212
357 HG2 LYS 43 2HG LYS 43 -2.473 -5.633 4.689
358 HG3 LYS 43 1HG LYS 43 -2.135 -5.453 2.966
359 HD2 LYS 43 2HD LYS 43 -0.202 -6.944 3.196
360 HD3 LYS 43 1HD LYS 43 -0.545 -7.120 4.919
361 HE2 LYS 43 2HE LYS 43 -2.733 -8.094 4.365
362 HE3 LYS 43 1HE LYS 43 -2.355 -7.951 2.649
363 HZ1 LYS 43 3HZ LYS 43 -1.919 -10.169 3.325
364 HZ2 LYS 43 1HZ LYS 43 -0.988 -9.675 4.656
365 HZ3 LYS 43 2HZ LYS 43 -0.416 -9.428 3.078
366 H ALA 44 H ALA 44 0.225 -1.596 3.065
367 HA ALA 44 HA ALA 44 1.896 -0.756 5.159
368 HB1 ALA 44 3HB ALA 44 2.578 -0.596 2.828
369 HB2 ALA 44 1HB ALA 44 2.667 0.986 3.600
370 HB3 ALA 44 2HB ALA 44 1.323 0.603 2.524
371 H VAL 45 H VAL 45 -0.863 0.878 3.612
372 HA VAL 45 HA VAL 45 -0.809 3.153 5.290
373 HB VAL 45 HB VAL 45 -3.198 1.995 3.840
374 HG11 VAL 45 1HG1 VAL 45 -4.071 4.289 3.925
375 HG12 VAL 45 2HG1 VAL 45 -2.681 4.774 4.899
376 HG13 VAL 45 3HG1 VAL 45 -3.841 3.609 5.538
377 HG21 VAL 45 3HG2 VAL 45 -1.178 4.045 2.935
378 HG22 VAL 45 1HG2 VAL 45 -2.648 3.605 2.066
379 HG23 VAL 45 2HG2 VAL 45 -1.370 2.412 2.297
380 H ILE 46 H ILE 46 -2.649 0.131 5.428
381 HA ILE 46 HA ILE 46 -4.323 0.718 7.564
382 HB ILE 46 HB ILE 46 -3.164 -1.930 6.699
383 HG12 ILE 46 2HG1 ILE 46 -5.918 -0.749 6.274
384 HG13 ILE 46 1HG1 ILE 46 -4.615 -0.662 5.092
385 HG21 ILE 46 1HG2 ILE 46 -5.405 -1.401 8.647
386 HG22 ILE 46 2HG2 ILE 46 -3.833 -2.111 9.020
387 HG23 ILE 46 3HG2 ILE 46 -4.971 -2.981 7.992
388 HD11 ILE 46 3HD1 ILE 46 -5.909 -3.175 6.128
389 HD12 ILE 46 1HD1 ILE 46 -4.585 -3.106 4.964
390 HD13 ILE 46 2HD1 ILE 46 -6.163 -2.437 4.543
391 H HIS 47 H HIS 47 -0.988 -0.522 7.632
392 HA HIS 47 HA HIS 47 -1.127 -0.796 10.528
393 HD1 HIS 47 HD1 HIS 47 -1.305 -3.079 11.005
394 HD2 HIS 47 HD2 HIS 47 0.793 -3.801 7.485
395 HE1 HIS 47 HE1 HIS 47 -1.973 -5.388 10.275
396 HE2 HIS 47 HE2 HIS 47 -0.587 -5.853 8.225
397 HB2 HIS 47 2HB HIS 47 1.111 -1.371 8.587
398 HB3 HIS 47 1HB HIS 47 1.217 -1.625 10.326
399 H GLY 48 H GLY 48 -0.513 1.701 8.430
400 HA2 GLY 48 2HA GLY 48 -0.027 3.888 9.105
401 HA3 GLY 48 1HA GLY 48 0.627 3.256 10.609
402 H LEU 49 H LEU 49 1.751 1.722 7.771
403 HA LEU 49 HA LEU 49 4.436 2.581 8.185
404 HG LEU 49 HG LEU 49 5.546 2.119 5.452
405 HB2 LEU 49 2HB LEU 49 3.817 0.386 7.209
406 HB3 LEU 49 1HB LEU 49 3.201 1.210 5.790
407 HD11 LEU 49 1HD1 LEU 49 7.359 0.860 6.505
408 HD12 LEU 49 2HD1 LEU 49 6.182 -0.019 7.478
409 HD13 LEU 49 3HD1 LEU 49 6.384 1.718 7.700
410 HD21 LEU 49 3HD2 LEU 49 6.332 0.063 4.403
411 HD22 LEU 49 1HD2 LEU 49 4.611 0.312 4.104
412 HD23 LEU 49 2HD2 LEU 49 5.136 -0.863 5.308
413 H ILE 50 H ILE 50 1.953 3.265 5.779
414 HA ILE 50 HA ILE 50 3.250 5.849 5.259
415 HB ILE 50 HB ILE 50 2.650 5.787 2.917
416 HG12 ILE 50 2HG1 ILE 50 1.659 2.962 3.326
417 HG13 ILE 50 1HG1 ILE 50 0.600 4.368 3.245
418 HG21 ILE 50 1HG2 ILE 50 4.123 4.033 2.098
419 HG22 ILE 50 2HG2 ILE 50 4.076 3.246 3.675
420 HG23 ILE 50 3HG2 ILE 50 4.814 4.840 3.505
421 HD11 ILE 50 3HD1 ILE 50 0.714 3.171 1.120
422 HD12 ILE 50 1HD1 ILE 50 2.454 3.449 1.059
423 HD13 ILE 50 2HD1 ILE 50 1.339 4.815 0.978
424 H THR 51 H THR 51 1.578 7.350 4.167
425 HA THR 51 HA THR 51 -0.971 6.954 5.537
426 HB THR 51 HB THR 51 0.006 9.064 6.094
427 HG1 THR 51 HG1 THR 51 -2.284 9.029 5.644
428 HG21 THR 51 3HG2 THR 51 0.523 10.777 4.411
429 HG22 THR 51 1HG2 THR 51 0.169 9.613 3.136
430 HG23 THR 51 2HG2 THR 51 1.529 9.340 4.223
431 H GLU 52 H GLU 52 -2.926 7.244 4.472
432 HA GLU 52 HA GLU 52 -3.148 5.897 2.043
433 HB2 GLU 52 2HB GLU 52 -4.888 6.392 3.909
434 HB3 GLU 52 1HB GLU 52 -5.225 7.851 2.988
435 HG2 GLU 52 2HG GLU 52 -5.834 6.538 1.057
436 HG3 GLU 52 1HG GLU 52 -5.397 5.052 1.900
437 H ARG 53 H ARG 53 -3.057 9.352 2.746
438 HA ARG 53 HA ARG 53 -3.736 10.220 0.132
439 HE ARG 53 HE ARG 53 -3.915 14.491 -1.131
440 HB2 ARG 53 2HB ARG 53 -3.692 11.515 2.423
441 HB3 ARG 53 1HB ARG 53 -2.032 11.872 1.971
442 HG2 ARG 53 2HG ARG 53 -4.368 12.470 0.173
443 HG3 ARG 53 1HG ARG 53 -3.770 13.608 1.378
444 HD2 ARG 53 2HD ARG 53 -1.658 13.766 0.295
445 HD3 ARG 53 1HD ARG 53 -2.028 12.406 -0.761
446 HH11 ARG 53 1HH1 ARG 53 -0.582 13.677 -1.808
447 HH12 ARG 53 2HH1 ARG 53 -0.517 14.581 -3.286
448 HH21 ARG 53 1HH2 ARG 53 -3.848 15.681 -3.082
449 HH22 ARG 53 2HH2 ARG 53 -2.372 15.746 -4.004
450 H GLU 54 H GLU 54 -0.755 9.252 1.680
451 HA GLU 54 HA GLU 54 1.026 10.289 -0.269
452 HB2 GLU 54 2HB GLU 54 1.750 9.504 1.995
453 HB3 GLU 54 1HB GLU 54 1.447 7.851 1.476
454 HG2 GLU 54 2HG GLU 54 3.073 8.328 -0.423
455 HG3 GLU 54 1HG GLU 54 3.529 9.763 0.486
456 H ALA 55 H ALA 55 -0.548 7.149 0.183
457 HA ALA 55 HA ALA 55 0.662 5.829 -1.983
458 HB1 ALA 55 3HB ALA 55 -2.074 5.351 -0.807
459 HB2 ALA 55 1HB ALA 55 -0.562 4.666 -0.211
460 HB3 ALA 55 2HB ALA 55 -1.160 4.227 -1.810
461 H LEU 56 H LEU 56 -2.229 7.816 -1.776
462 HA LEU 56 HA LEU 56 -3.130 7.363 -4.426
463 HG LEU 56 HG LEU 56 -4.244 7.767 -1.415
464 HB2 LEU 56 2HB LEU 56 -3.662 9.781 -2.704
465 HB3 LEU 56 1HB LEU 56 -4.636 9.201 -4.041
466 HD11 LEU 56 1HD1 LEU 56 -6.580 9.318 -2.507
467 HD12 LEU 56 2HD1 LEU 56 -5.586 9.731 -1.108
468 HD13 LEU 56 3HD1 LEU 56 -6.624 8.307 -1.064
469 HD21 LEU 56 3HD2 LEU 56 -4.577 6.227 -3.277
470 HD22 LEU 56 1HD2 LEU 56 -6.025 7.109 -3.758
471 HD23 LEU 56 2HD2 LEU 56 -5.983 6.256 -2.214
472 H ASP 57 H ASP 57 -0.872 9.584 -2.986
473 HA ASP 57 HA ASP 57 -0.723 11.329 -5.266
474 HB2 ASP 57 2HB ASP 57 -0.277 12.165 -3.005
475 HB3 ASP 57 1HB ASP 57 1.080 11.057 -2.854
476 H ARG 58 H ARG 58 1.469 8.968 -3.774
477 HA ARG 58 HA ARG 58 3.525 9.405 -5.676
478 HE ARG 58 HE ARG 58 5.001 5.113 -3.805
479 HB2 ARG 58 2HB ARG 58 4.653 7.477 -4.631
480 HB3 ARG 58 1HB ARG 58 4.071 8.635 -3.446
481 HG2 ARG 58 2HG ARG 58 2.149 7.181 -2.987
482 HG3 ARG 58 1HG ARG 58 2.774 6.010 -4.150
483 HD2 ARG 58 2HD ARG 58 4.242 6.954 -1.689
484 HD3 ARG 58 1HD ARG 58 3.318 5.455 -1.795
485 HH11 ARG 58 1HH1 ARG 58 5.601 6.264 -0.548
486 HH12 ARG 58 2HH1 ARG 58 7.260 5.731 -0.537
487 HH21 ARG 58 1HH2 ARG 58 7.169 4.387 -3.789
488 HH22 ARG 58 2HH2 ARG 58 8.149 4.644 -2.377
489 H TYR 59 H TYR 59 0.933 7.020 -5.477
490 HA TYR 59 HA TYR 59 2.030 5.649 -7.819
491 HD1 TYR 59 HD2 TYR 59 2.888 3.445 -7.384
492 HD2 TYR 59 HD1 TYR 59 0.556 4.234 -3.916
493 HE1 TYR 59 HE2 TYR 59 4.538 2.253 -6.010
494 HE2 TYR 59 HE1 TYR 59 2.201 3.042 -2.532
495 HH TYR 59 HH TYR 59 5.231 1.874 -3.877
496 HB2 TYR 59 2HB TYR 59 -0.240 4.912 -5.969
497 HB3 TYR 59 1HB TYR 59 0.253 3.961 -7.366
498 H SER 60 H SER 60 0.108 8.209 -7.284
499 HA SER 60 HA SER 60 -1.531 9.312 -8.381
500 HG SER 60 HG SER 60 -2.547 8.825 -11.231
501 HB2 SER 60 2HB SER 60 0.108 9.048 -10.261
502 HB3 SER 60 1HB SER 60 -0.756 7.593 -10.755
503 H LEU 61 H LEU 61 -2.972 8.180 -6.936
504 HA LEU 61 HA LEU 61 -4.784 6.359 -8.382
505 HG LEU 61 HG LEU 61 -2.296 5.218 -6.958
506 HB2 LEU 61 2HB LEU 61 -4.022 6.230 -5.459
507 HB3 LEU 61 1HB LEU 61 -5.223 5.222 -6.234
508 HD11 LEU 61 1HD1 LEU 61 -2.628 4.428 -4.675
509 HD12 LEU 61 2HD1 LEU 61 -2.193 3.099 -5.747
510 HD13 LEU 61 3HD1 LEU 61 -3.867 3.305 -5.235
511 HD21 LEU 61 3HD2 LEU 61 -4.560 3.360 -7.685
512 HD22 LEU 61 1HD2 LEU 61 -2.866 3.143 -8.125
513 HD23 LEU 61 2HD2 LEU 61 -3.774 4.512 -8.765
514 H SER 62 H SER 62 -6.711 6.194 -6.372
515 HA SER 62 HA SER 62 -7.404 8.887 -5.546
516 HG SER 62 HG SER 62 -7.376 9.080 -7.880
517 HB2 SER 62 2HB SER 62 -9.269 7.223 -7.264
518 HB3 SER 62 1HB SER 62 -9.633 8.800 -6.562
519 H GLU 63 H GLU 63 -9.155 8.875 -3.969
520 HA GLU 63 HA GLU 63 -8.806 6.907 -2.035
521 HB2 GLU 63 2HB GLU 63 -9.682 9.303 -1.823
522 HB3 GLU 63 1HB GLU 63 -11.252 8.641 -2.262
523 HG2 GLU 63 2HG GLU 63 -11.107 7.112 -0.350
524 HG3 GLU 63 1HG GLU 63 -9.579 7.866 0.097
525 H GLU 64 H GLU 64 -11.378 7.327 -4.438
526 HA GLU 64 HA GLU 64 -13.006 5.182 -3.686
527 HB2 GLU 64 2HB GLU 64 -13.787 5.230 -6.069
528 HB3 GLU 64 1HB GLU 64 -13.809 6.795 -5.271
529 HG2 GLU 64 2HG GLU 64 -11.721 7.398 -6.378
530 HG3 GLU 64 1HG GLU 64 -11.687 5.825 -7.173
531 H GLU 65 H GLU 65 -10.118 5.287 -5.677
532 HA GLU 65 HA GLU 65 -10.210 2.610 -6.611
533 HB2 GLU 65 2HB GLU 65 -8.869 4.352 -7.703
534 HB3 GLU 65 1HB GLU 65 -7.878 4.507 -6.262
535 HG2 GLU 65 2HG GLU 65 -6.670 3.263 -7.898
536 HG3 GLU 65 1HG GLU 65 -7.112 2.179 -6.584
537 H PHE 66 H PHE 66 -8.444 4.195 -3.955
538 HA PHE 66 HA PHE 66 -7.179 1.881 -2.971
539 HD1 PHE 66 HD2 PHE 66 -4.670 2.802 -1.782
540 HD2 PHE 66 HD1 PHE 66 -8.059 3.251 0.748
541 HE1 PHE 66 HE2 PHE 66 -3.388 1.863 0.097
542 HE2 PHE 66 HE1 PHE 66 -6.786 2.321 2.631
543 HZ PHE 66 HZ PHE 66 -4.448 1.626 2.308
544 HB2 PHE 66 2HB PHE 66 -6.545 4.230 -2.400
545 HB3 PHE 66 1HB PHE 66 -7.978 4.327 -1.383
546 H ALA 67 H ALA 67 -10.323 3.303 -2.325
547 HA ALA 67 HA ALA 67 -11.132 1.716 -0.176
548 HB1 ALA 67 3HB ALA 67 -12.818 2.772 -2.447
549 HB2 ALA 67 1HB ALA 67 -12.403 3.651 -0.974
550 HB3 ALA 67 2HB ALA 67 -13.416 2.210 -0.886
551 H LEU 68 H LEU 68 -11.208 1.111 -3.652
552 HA LEU 68 HA LEU 68 -12.522 -1.391 -3.517
553 HG LEU 68 HG LEU 68 -12.745 0.989 -5.445
554 HB2 LEU 68 2HB LEU 68 -10.637 -0.280 -5.597
555 HB3 LEU 68 1HB LEU 68 -11.554 -1.761 -5.786
556 HD11 LEU 68 1HD1 LEU 68 -13.389 0.763 -7.785
557 HD12 LEU 68 2HD1 LEU 68 -12.542 -0.780 -7.875
558 HD13 LEU 68 3HD1 LEU 68 -11.637 0.706 -7.599
559 HD21 LEU 68 3HD2 LEU 68 -14.860 -0.118 -6.011
560 HD22 LEU 68 1HD2 LEU 68 -14.172 -0.748 -4.516
561 HD23 LEU 68 2HD2 LEU 68 -14.038 -1.678 -6.008
562 H TRP 69 H TRP 69 -9.120 -0.429 -3.534
563 HA TRP 69 HA TRP 69 -7.925 -2.937 -3.640
564 HD1 TRP 69 HD1 TRP 69 -8.138 -0.820 -5.371
565 HE1 TRP 69 HE1 TRP 69 -6.595 0.030 -7.242
566 HE3 TRP 69 HE3 TRP 69 -3.737 -0.736 -2.778
567 HZ2 TRP 69 HZ2 TRP 69 -3.855 0.634 -7.571
568 HZ3 TRP 69 HZ3 TRP 69 -1.697 -0.013 -3.948
569 HH2 TRP 69 HH2 TRP 69 -1.755 0.656 -6.295
570 HB2 TRP 69 2HB TRP 69 -7.030 -0.418 -2.235
571 HB3 TRP 69 1HB TRP 69 -6.024 -1.852 -2.372
572 H ARG 70 H ARG 70 -8.851 -1.088 -0.723
573 HA ARG 70 HA ARG 70 -8.062 -3.194 1.018
574 HE ARG 70 HE ARG 70 -11.811 1.476 2.117
575 HB2 ARG 70 2HB ARG 70 -9.132 -1.884 2.798
576 HB3 ARG 70 1HB ARG 70 -8.028 -0.930 1.824
577 HG2 ARG 70 2HG ARG 70 -10.029 -0.073 0.574
578 HG3 ARG 70 1HG ARG 70 -11.030 -0.871 1.796
579 HD2 ARG 70 2HD ARG 70 -9.882 0.403 3.548
580 HD3 ARG 70 1HD ARG 70 -8.916 1.212 2.315
581 HH11 ARG 70 1HH1 ARG 70 -8.748 2.863 3.073
582 HH12 ARG 70 2HH1 ARG 70 -9.340 4.488 3.136
583 HH21 ARG 70 1HH2 ARG 70 -12.620 3.627 2.222
584 HH22 ARG 70 2HH2 ARG 70 -11.535 4.926 2.648
585 H SER 71 H SER 71 -10.991 -2.542 -0.714
586 HA SER 71 HA SER 71 -12.580 -4.331 0.889
587 HG SER 71 HG SER 71 -13.919 -1.505 -0.759
588 HB2 SER 71 2HB SER 71 -13.090 -3.116 -1.835
589 HB3 SER 71 1HB SER 71 -14.264 -4.068 -0.928
590 H ALA 72 H ALA 72 -10.431 -4.587 -1.800
591 HA ALA 72 HA ALA 72 -11.327 -7.261 -2.490
592 HB1 ALA 72 3HB ALA 72 -9.612 -7.187 -4.208
593 HB2 ALA 72 1HB ALA 72 -8.985 -5.680 -3.542
594 HB3 ALA 72 2HB ALA 72 -10.596 -5.724 -4.256
595 H VAL 73 H VAL 73 -8.942 -5.761 -0.479
596 HA VAL 73 HA VAL 73 -7.583 -8.345 -0.143
597 HB VAL 73 HB VAL 73 -6.602 -5.601 0.653
598 HG11 VAL 73 1HG1 VAL 73 -5.207 -8.278 0.736
599 HG12 VAL 73 2HG1 VAL 73 -5.758 -7.351 2.134
600 HG13 VAL 73 3HG1 VAL 73 -4.472 -6.718 1.107
601 HG21 VAL 73 3HG2 VAL 73 -6.632 -5.901 -1.765
602 HG22 VAL 73 1HG2 VAL 73 -5.740 -7.414 -1.598
603 HG23 VAL 73 2HG2 VAL 73 -4.975 -5.888 -1.156
604 H ALA 74 H ALA 74 -8.258 -5.531 1.953
605 HA ALA 74 HA ALA 74 -8.048 -7.051 4.328
606 HB1 ALA 74 3HB ALA 74 -9.360 -4.365 3.948
607 HB2 ALA 74 1HB ALA 74 -7.640 -4.634 4.237
608 HB3 ALA 74 2HB ALA 74 -8.821 -5.064 5.476
609 H ALA 75 H ALA 75 -10.829 -5.937 2.446
610 HA ALA 75 HA ALA 75 -12.754 -7.003 4.280
611 HB1 ALA 75 3HB ALA 75 -13.294 -5.131 2.806
612 HB2 ALA 75 1HB ALA 75 -14.404 -6.480 2.570
613 HB3 ALA 75 2HB ALA 75 -13.118 -6.183 1.401
614 H HIS 76 H HIS 76 -10.727 -8.363 1.960
615 HA HIS 76 HA HIS 76 -12.412 -10.685 1.497
616 HD1 HIS 76 HD1 HIS 76 -12.634 -12.311 -0.072
617 HD2 HIS 76 HD2 HIS 76 -8.519 -12.298 -0.718
618 HE1 HIS 76 HE1 HIS 76 -12.102 -14.528 -1.141
619 HE2 HIS 76 HE2 HIS 76 -9.611 -14.494 -1.548
620 HB2 HIS 76 2HB HIS 76 -10.958 -9.765 -0.314
621 HB3 HIS 76 1HB HIS 76 -9.546 -10.199 0.640
622 H GLY 77 H GLY 77 -10.685 -9.595 4.006
623 HA2 GLY 77 2HA GLY 77 -9.500 -12.064 4.908
624 HA3 GLY 77 1HA GLY 77 -9.765 -10.614 5.870
625 H GLU 78 H GLU 78 -12.435 -11.599 4.145
626 HA GLU 78 HA GLU 78 -14.251 -11.929 6.147
627 HB2 GLU 78 2HB GLU 78 -15.569 -13.178 4.398
628 HB3 GLU 78 1HB GLU 78 -14.919 -11.629 3.869
629 HG2 GLU 78 2HG GLU 78 -12.949 -12.977 2.952
630 HG3 GLU 78 1HG GLU 78 -13.973 -14.389 3.180
631 H LYS 79 H LYS 79 -11.924 -14.241 5.035
632 HA LYS 79 HA LYS 79 -13.320 -16.447 6.347
633 HB2 LYS 79 2HB LYS 79 -11.548 -17.842 5.219
634 HB3 LYS 79 1HB LYS 79 -12.634 -16.984 4.136
635 HG2 LYS 79 2HG LYS 79 -10.894 -15.219 3.891
636 HG3 LYS 79 1HG LYS 79 -9.804 -16.232 4.839
637 HD2 LYS 79 2HD LYS 79 -11.153 -17.175 2.318
638 HD3 LYS 79 1HD LYS 79 -9.569 -16.403 2.330
639 HE2 LYS 79 2HE LYS 79 -8.673 -18.158 3.717
640 HE3 LYS 79 1HE LYS 79 -10.269 -18.888 3.885
641 HZ1 LYS 79 3HZ LYS 79 -9.057 -18.522 1.220
642 HZ2 LYS 79 1HZ LYS 79 -10.261 -19.612 1.697
643 HZ3 LYS 79 2HZ LYS 79 -8.652 -19.869 2.167
644 H ALA 80 H ALA 80 -11.424 -14.151 7.481
645 HA ALA 80 HA ALA 80 -10.176 -15.926 9.419
646 HB1 ALA 80 3HB ALA 80 -7.957 -14.992 9.155
647 HB2 ALA 80 1HB ALA 80 -8.529 -13.935 7.864
648 HB3 ALA 80 2HB ALA 80 -8.503 -15.682 7.626
649 H LEU 81 H LEU 81 -12.309 -14.272 9.888
650 HA LEU 81 HA LEU 81 -11.350 -11.870 11.148
651 HG LEU 81 HG LEU 81 -12.990 -10.441 10.366
652 HB2 LEU 81 2HB LEU 81 -13.992 -13.215 10.925
653 HB3 LEU 81 1HB LEU 81 -13.757 -12.059 12.220
654 HD11 LEU 81 1HD1 LEU 81 -12.760 -12.039 8.572
655 HD12 LEU 81 2HD1 LEU 81 -14.012 -10.860 8.178
656 HD13 LEU 81 3HD1 LEU 81 -14.461 -12.479 8.712
657 HD21 LEU 81 3HD2 LEU 81 -15.065 -10.214 11.633
658 HD22 LEU 81 1HD2 LEU 81 -15.874 -11.300 10.504
659 HD23 LEU 81 2HD2 LEU 81 -15.275 -9.737 9.948
660 H LYS 82 H LYS 82 -9.702 -12.997 12.383
661 HA LYS 82 HA LYS 82 -10.672 -14.330 14.797
662 HB2 LYS 82 2HB LYS 82 -8.768 -15.312 13.542
663 HB3 LYS 82 1HB LYS 82 -7.849 -13.841 13.820
664 HG2 LYS 82 2HG LYS 82 -7.903 -14.263 16.226
665 HG3 LYS 82 1HG LYS 82 -8.826 -15.741 15.941
666 HD2 LYS 82 2HD LYS 82 -6.972 -16.628 14.600
667 HD3 LYS 82 1HD LYS 82 -6.051 -15.158 14.911
668 HE2 LYS 82 2HE LYS 82 -6.080 -15.649 17.307
669 HE3 LYS 82 1HE LYS 82 -7.011 -17.113 16.995
670 HZ1 LYS 82 3HZ LYS 82 -4.693 -17.648 17.258
671 HZ2 LYS 82 1HZ LYS 82 -4.254 -16.550 16.041
672 HZ3 LYS 82 2HZ LYS 82 -5.149 -17.931 15.648
673 H VAL 83 H VAL 83 -10.103 -13.492 16.915
674 HA VAL 83 HA VAL 83 -10.643 -10.820 17.298
675 HB VAL 83 HB VAL 83 -10.767 -12.453 19.108
676 HG11 VAL 83 1HG1 VAL 83 -8.753 -13.178 20.316
677 HG12 VAL 83 2HG1 VAL 83 -7.751 -12.383 19.101
678 HG13 VAL 83 3HG1 VAL 83 -8.767 -13.750 18.649
679 HG21 VAL 83 3HG2 VAL 83 -8.931 -10.143 19.732
680 HG22 VAL 83 1HG2 VAL 83 -9.858 -11.062 20.920
681 HG23 VAL 83 2HG2 VAL 83 -10.695 -10.104 19.700
682 H THR 84 H THR 84 -7.515 -12.335 16.912
683 HA THR 84 HA THR 84 -5.826 -10.163 17.349
684 HB THR 84 HB THR 84 -5.450 -12.365 15.330
685 HG1 THR 84 HG1 THR 84 -4.427 -13.368 17.340
686 HG21 THR 84 3HG2 THR 84 -3.072 -12.161 15.968
687 HG22 THR 84 1HG2 THR 84 -3.487 -10.832 17.049
688 HG23 THR 84 2HG2 THR 84 -3.705 -10.654 15.308
689 H MET 85 H MET 85 -7.187 -11.426 14.327
690 HA MET 85 HA MET 85 -6.096 -9.493 12.612
691 HB2 MET 85 2HB MET 85 -8.411 -11.398 12.366
692 HB3 MET 85 1HB MET 85 -7.996 -10.290 11.065
693 HG2 MET 85 2HG MET 85 -7.034 -12.442 10.631
694 HG3 MET 85 1HG MET 85 -5.748 -11.287 10.966
695 HE1 MET 85 3HE MET 85 -5.314 -14.432 10.947
696 HE2 MET 85 1HE MET 85 -4.321 -14.652 12.386
697 HE3 MET 85 2HE MET 85 -4.023 -13.288 11.312
698 H ILE 86 H ILE 86 -9.021 -9.562 14.507
699 HA ILE 86 HA ILE 86 -10.329 -7.427 13.172
700 HB ILE 86 HB ILE 86 -10.727 -8.521 15.954
701 HG12 ILE 86 2HG1 ILE 86 -12.742 -8.908 13.838
702 HG13 ILE 86 1HG1 ILE 86 -11.205 -9.723 13.560
703 HG21 ILE 86 1HG2 ILE 86 -12.869 -7.363 15.946
704 HG22 ILE 86 2HG2 ILE 86 -12.494 -6.657 14.373
705 HG23 ILE 86 3HG2 ILE 86 -11.538 -6.214 15.788
706 HD11 ILE 86 3HD1 ILE 86 -11.377 -10.891 15.632
707 HD12 ILE 86 1HD1 ILE 86 -12.865 -11.124 14.712
708 HD13 ILE 86 2HD1 ILE 86 -12.838 -9.993 16.067
709 H GLN 87 H GLN 87 -7.993 -7.550 15.801
710 HA GLN 87 HA GLN 87 -8.273 -4.840 16.588
711 HB2 GLN 87 2HB GLN 87 -6.974 -6.671 17.816
712 HB3 GLN 87 1HB GLN 87 -5.682 -6.390 16.657
713 HG2 GLN 87 2HG GLN 87 -5.698 -3.983 17.373
714 HG3 GLN 87 1HG GLN 87 -6.803 -4.452 18.662
715 HE21 GLN 87 1HE2 GLN 87 -3.576 -4.551 17.485
716 HE22 GLN 87 2HE2 GLN 87 -2.835 -5.209 18.901
717 H LYS 88 H LYS 88 -6.630 -6.476 13.994
718 HA LYS 88 HA LYS 88 -5.132 -4.191 13.128
719 HB2 LYS 88 2HB LYS 88 -5.870 -6.635 11.506
720 HB3 LYS 88 1HB LYS 88 -4.582 -5.491 11.164
721 HG2 LYS 88 2HG LYS 88 -4.711 -7.482 13.414
722 HG3 LYS 88 1HG LYS 88 -3.595 -7.460 12.049
723 HD2 LYS 88 2HD LYS 88 -2.690 -5.303 12.900
724 HD3 LYS 88 1HD LYS 88 -3.723 -5.478 14.321
725 HE2 LYS 88 2HE LYS 88 -2.606 -7.718 14.693
726 HE3 LYS 88 1HE LYS 88 -1.446 -7.247 13.453
727 HZ1 LYS 88 3HZ LYS 88 -1.915 -5.960 16.079
728 HZ2 LYS 88 1HZ LYS 88 -1.003 -5.224 14.852
729 HZ3 LYS 88 2HZ LYS 88 -0.500 -6.696 15.523
730 H TYR 89 H TYR 89 -8.348 -5.386 12.671
731 HA TYR 89 HA TYR 89 -8.944 -3.634 10.462
732 HD1 TYR 89 HD2 TYR 89 -9.183 -4.990 8.952
733 HD2 TYR 89 HD1 TYR 89 -11.360 -7.378 11.721
734 HE1 TYR 89 HE2 TYR 89 -8.865 -6.952 7.504
735 HE2 TYR 89 HE1 TYR 89 -11.046 -9.346 10.284
736 HH TYR 89 HH TYR 89 -8.844 -9.438 7.749
737 HB2 TYR 89 2HB TYR 89 -10.769 -5.197 12.306
738 HB3 TYR 89 1HB TYR 89 -11.320 -4.262 10.921
739 H ARG 90 H ARG 90 -8.931 -3.473 13.918
740 HA ARG 90 HA ARG 90 -10.554 -1.104 14.060
741 HE ARG 90 HE ARG 90 -10.352 -4.811 17.630
742 HB2 ARG 90 2HB ARG 90 -8.896 -2.600 16.076
743 HB3 ARG 90 1HB ARG 90 -9.645 -1.055 16.463
744 HG2 ARG 90 2HG ARG 90 -11.841 -2.045 15.808
745 HG3 ARG 90 1HG ARG 90 -11.024 -3.602 15.657
746 HD2 ARG 90 2HD ARG 90 -10.914 -1.976 18.178
747 HD3 ARG 90 1HD ARG 90 -12.225 -3.107 17.853
748 HH11 ARG 90 1HH1 ARG 90 -10.084 -1.984 19.679
749 HH12 ARG 90 2HH1 ARG 90 -9.117 -2.783 20.873
750 HH21 ARG 90 1HH2 ARG 90 -9.079 -5.866 19.196
751 HH22 ARG 90 2HH2 ARG 90 -8.509 -4.979 20.587
752 H GLN 91 H GLN 91 -7.183 -1.823 13.667
753 HA GLN 91 HA GLN 91 -6.439 0.971 14.013
754 HB2 GLN 91 2HB GLN 91 -4.171 0.277 13.530
755 HB3 GLN 91 1HB GLN 91 -4.867 -0.831 14.703
756 HG2 GLN 91 2HG GLN 91 -5.280 -2.447 12.910
757 HG3 GLN 91 1HG GLN 91 -4.550 -1.337 11.752
758 HE21 GLN 91 1HE2 GLN 91 -3.377 -1.842 15.024
759 HE22 GLN 91 2HE2 GLN 91 -1.892 -2.609 14.562
760 H LEU 92 H LEU 92 -7.891 -0.879 11.750
761 HA LEU 92 HA LEU 92 -6.825 0.449 9.393
762 HG LEU 92 HG LEU 92 -7.653 -0.660 7.203
763 HB2 LEU 92 2HB LEU 92 -7.368 -1.977 9.390
764 HB3 LEU 92 1HB LEU 92 -9.041 -1.587 9.719
765 HD11 LEU 92 1HD1 LEU 92 -7.481 -3.100 7.357
766 HD12 LEU 92 2HD1 LEU 92 -8.614 -2.607 6.097
767 HD13 LEU 92 3HD1 LEU 92 -9.217 -3.202 7.644
768 HD21 LEU 92 3HD2 LEU 92 -10.557 -1.108 7.904
769 HD22 LEU 92 1HD2 LEU 92 -9.946 -0.566 6.343
770 HD23 LEU 92 2HD2 LEU 92 -9.760 0.458 7.766
771 H HIS 93 H HIS 93 -7.650 2.322 8.732
772 HA HIS 93 HA HIS 93 -10.437 2.778 8.518
773 HD1 HIS 93 HD1 HIS 93 -11.276 1.852 11.380
774 HD2 HIS 93 HD2 HIS 93 -12.355 5.665 10.126
775 HE1 HIS 93 HE1 HIS 93 -13.712 2.080 11.938
776 HE2 HIS 93 HE2 HIS 93 -14.379 4.342 11.054
777 HB2 HIS 93 2HB HIS 93 -9.256 3.592 10.990
778 HB3 HIS 93 1HB HIS 93 -9.686 5.036 10.076
779 H HIS 94 H HIS 94 -7.756 4.994 9.186
780 HA HIS 94 HA HIS 94 -7.190 5.569 6.469
781 HD1 HIS 94 HD1 HIS 94 -6.730 9.327 7.161
782 HD2 HIS 94 HD2 HIS 94 -9.040 7.628 4.146
783 HE1 HIS 94 HE1 HIS 94 -6.280 10.702 5.104
784 HE2 HIS 94 HE2 HIS 94 -7.897 9.818 3.384
785 HB2 HIS 94 2HB HIS 94 -9.420 6.684 6.654
786 HB3 HIS 94 1HB HIS 94 -8.771 7.699 7.937
787 H HIS 95 H HIS 95 -5.057 5.488 7.035
788 HA HIS 95 HA HIS 95 -4.128 7.251 9.169
789 HD1 HIS 95 HD1 HIS 95 -2.357 5.815 11.243
790 HD2 HIS 95 HD2 HIS 95 -4.236 3.089 8.726
791 HE1 HIS 95 HE1 HIS 95 -3.127 3.937 12.727
792 HE2 HIS 95 HE2 HIS 95 -4.387 2.371 11.202
793 HB2 HIS 95 2HB HIS 95 -2.717 5.107 7.573
794 HB3 HIS 95 1HB HIS 95 -1.884 6.172 8.702
Start of MODEL 6
1 HA MET 1 HA MET 1 18.109 6.212 18.476
2 H1 MET 1 1H MET 1 18.009 6.511 20.855
3 H2 MET 1 2H MET 1 17.996 4.864 20.449
4 H3 MET 1 3H MET 1 16.560 5.632 20.928
5 HB2 MET 1 2HB MET 1 15.503 4.763 18.957
6 HB3 MET 1 1HB MET 1 15.959 5.392 17.380
7 HG2 MET 1 2HG MET 1 18.002 3.996 17.468
8 HG3 MET 1 1HG MET 1 17.417 3.303 18.980
9 HE1 MET 1 3HE MET 1 17.720 0.883 17.869
10 HE2 MET 1 1HE MET 1 18.240 1.624 16.355
11 HE3 MET 1 2HE MET 1 16.961 0.411 16.350
12 H TYR 2 H TYR 2 15.790 7.012 17.088
13 HA TYR 2 HA TYR 2 14.444 8.780 16.661
14 HD1 TYR 2 HD2 TYR 2 11.725 9.152 17.371
15 HD2 TYR 2 HD1 TYR 2 14.273 11.892 19.394
16 HE1 TYR 2 HE2 TYR 2 10.141 10.969 16.892
17 HE2 TYR 2 HE1 TYR 2 12.695 13.719 18.917
18 HH TYR 2 HH TYR 2 10.908 14.251 17.289
19 HB2 TYR 2 2HB TYR 2 13.504 8.388 18.962
20 HB3 TYR 2 1HB TYR 2 14.669 9.555 19.575
21 H LEU 3 H LEU 3 16.430 10.190 19.248
22 HA LEU 3 HA LEU 3 17.964 11.848 19.284
23 HG LEU 3 HG LEU 3 18.849 9.147 18.008
24 HB2 LEU 3 2HB LEU 3 18.495 11.031 16.427
25 HB3 LEU 3 1HB LEU 3 19.544 12.026 17.418
26 HD11 LEU 3 1HD1 LEU 3 21.375 10.339 16.881
27 HD12 LEU 3 2HD1 LEU 3 20.214 9.346 15.998
28 HD13 LEU 3 3HD1 LEU 3 21.135 8.651 17.332
29 HD21 LEU 3 3HD2 LEU 3 20.677 9.308 19.638
30 HD22 LEU 3 1HD2 LEU 3 19.353 10.409 20.020
31 HD23 LEU 3 2HD2 LEU 3 20.831 11.028 19.284
32 H LYS 4 H LYS 4 17.493 12.375 15.857
33 HA LYS 4 HA LYS 4 16.523 15.056 16.306
34 HB2 LYS 4 2HB LYS 4 18.018 14.530 14.413
35 HB3 LYS 4 1HB LYS 4 16.800 13.448 13.754
36 HG2 LYS 4 2HG LYS 4 15.276 15.503 13.684
37 HG3 LYS 4 1HG LYS 4 16.754 16.439 13.926
38 HD2 LYS 4 2HD LYS 4 16.217 14.495 11.680
39 HD3 LYS 4 1HD LYS 4 16.230 16.253 11.555
40 HE2 LYS 4 2HE LYS 4 18.566 16.348 12.008
41 HE3 LYS 4 1HE LYS 4 18.611 14.644 12.454
42 HZ1 LYS 4 3HZ LYS 4 18.120 14.044 10.191
43 HZ2 LYS 4 1HZ LYS 4 19.485 15.049 10.219
44 HZ3 LYS 4 2HZ LYS 4 17.985 15.671 9.736
45 H ARG 5 H ARG 5 15.291 12.284 14.490
46 HA ARG 5 HA ARG 5 12.775 12.082 15.620
47 HE ARG 5 HE ARG 5 10.662 15.572 14.657
48 HB2 ARG 5 2HB ARG 5 12.344 14.343 14.716
49 HB3 ARG 5 1HB ARG 5 12.774 13.782 13.106
50 HG2 ARG 5 2HG ARG 5 10.877 12.227 13.153
51 HG3 ARG 5 1HG ARG 5 10.435 12.830 14.750
52 HD2 ARG 5 2HD ARG 5 10.603 14.527 12.263
53 HD3 ARG 5 1HD ARG 5 9.113 13.824 12.888
54 HH11 ARG 5 1HH1 ARG 5 7.848 15.090 12.606
55 HH12 ARG 5 2HH1 ARG 5 6.988 16.464 13.254
56 HH21 ARG 5 1HH2 ARG 5 9.543 17.382 15.488
57 HH22 ARG 5 2HH2 ARG 5 7.950 17.753 14.900
58 H VAL 6 H VAL 6 11.910 10.189 14.895
59 HA VAL 6 HA VAL 6 13.250 8.802 12.743
60 HB VAL 6 HB VAL 6 10.780 7.931 14.264
61 HG11 VAL 6 1HG1 VAL 6 11.145 6.697 12.204
62 HG12 VAL 6 2HG1 VAL 6 11.482 5.670 13.598
63 HG13 VAL 6 3HG1 VAL 6 12.812 6.367 12.675
64 HG21 VAL 6 3HG2 VAL 6 12.564 8.367 15.849
65 HG22 VAL 6 1HG2 VAL 6 13.681 7.392 14.894
66 HG23 VAL 6 2HG2 VAL 6 12.304 6.630 15.693
67 H ASP 7 H ASP 7 12.538 8.640 10.679
68 HA ASP 7 HA ASP 7 10.379 10.321 9.825
69 HB2 ASP 7 2HB ASP 7 12.561 9.819 8.552
70 HB3 ASP 7 1HB ASP 7 11.810 8.296 8.104
71 H GLY 8 H GLY 8 8.740 9.244 11.130
72 HA2 GLY 8 2HA GLY 8 6.908 7.889 11.372
73 HA3 GLY 8 1HA GLY 8 7.048 7.570 9.649
74 HA PRO 9 HA PRO 9 8.160 3.536 11.514
75 HB2 PRO 9 2HB PRO 9 6.187 2.343 9.796
76 HB3 PRO 9 1HB PRO 9 6.197 2.404 11.558
77 HG2 PRO 9 2HG PRO 9 4.380 3.723 9.975
78 HG3 PRO 9 1HG PRO 9 4.812 4.213 11.622
79 HD2 PRO 9 2HD PRO 9 5.771 5.305 9.004
80 HD3 PRO 9 1HD PRO 9 5.361 6.168 10.506
81 H ARG 10 H ARG 10 9.893 2.687 10.576
82 HA ARG 10 HA ARG 10 10.368 3.002 7.758
83 HE ARG 10 HE ARG 10 14.066 -1.162 8.376
84 HB2 ARG 10 2HB ARG 10 12.430 3.034 8.689
85 HB3 ARG 10 1HB ARG 10 11.903 2.146 10.113
86 HG2 ARG 10 2HG ARG 10 12.081 0.057 8.911
87 HG3 ARG 10 1HG ARG 10 12.532 0.911 7.437
88 HD2 ARG 10 2HD ARG 10 14.579 1.680 8.463
89 HD3 ARG 10 1HD ARG 10 14.109 0.970 10.009
90 HH11 ARG 10 1HH1 ARG 10 16.511 1.314 8.886
91 HH12 ARG 10 2HH1 ARG 10 17.828 0.259 8.463
92 HH21 ARG 10 1HH2 ARG 10 15.791 -2.515 7.808
93 HH22 ARG 10 2HH2 ARG 10 17.418 -1.910 7.842
94 H GLN 11 H GLN 11 9.189 0.540 9.897
95 HA GLN 11 HA GLN 11 8.412 -1.117 7.680
96 HB2 GLN 11 2HB GLN 11 9.597 -3.120 8.473
97 HB3 GLN 11 1HB GLN 11 10.723 -1.854 8.007
98 HG2 GLN 11 2HG GLN 11 10.732 -1.234 10.500
99 HG3 GLN 11 1HG GLN 11 10.015 -2.824 10.746
100 HE21 GLN 11 1HE2 GLN 11 11.770 -3.631 11.850
101 HE22 GLN 11 2HE2 GLN 11 13.287 -3.974 11.087
102 H VAL 12 H VAL 12 6.703 -2.425 8.175
103 HA VAL 12 HA VAL 12 5.805 -2.411 10.983
104 HB VAL 12 HB VAL 12 3.466 -2.366 10.159
105 HG11 VAL 12 1HG1 VAL 12 4.495 -0.312 10.914
106 HG12 VAL 12 2HG1 VAL 12 3.430 0.016 9.548
107 HG13 VAL 12 3HG1 VAL 12 5.177 -0.035 9.311
108 HG21 VAL 12 3HG2 VAL 12 2.990 -1.714 7.859
109 HG22 VAL 12 1HG2 VAL 12 3.861 -3.248 7.908
110 HG23 VAL 12 2HG2 VAL 12 4.712 -1.764 7.477
111 H THR 13 H THR 13 4.471 -4.212 11.603
112 HA THR 13 HA THR 13 5.339 -6.652 10.260
113 HB THR 13 HB THR 13 3.846 -6.421 12.878
114 HG1 THR 13 HG1 THR 13 6.449 -6.956 13.220
115 HG21 THR 13 3HG2 THR 13 5.591 -8.590 11.704
116 HG22 THR 13 1HG2 THR 13 3.838 -8.646 11.888
117 HG23 THR 13 2HG2 THR 13 4.873 -8.616 13.316
118 H LEU 14 H LEU 14 4.001 -8.015 9.217
119 HA LEU 14 HA LEU 14 1.232 -7.194 8.813
120 HG LEU 14 HG LEU 14 2.490 -8.174 5.423
121 HB2 LEU 14 2HB LEU 14 2.899 -9.380 7.559
122 HB3 LEU 14 1HB LEU 14 1.211 -9.119 7.181
123 HD11 LEU 14 1HD1 LEU 14 1.578 -5.950 7.229
124 HD12 LEU 14 2HD1 LEU 14 0.574 -6.850 6.092
125 HD13 LEU 14 3HD1 LEU 14 1.878 -5.824 5.495
126 HD21 LEU 14 3HD2 LEU 14 4.003 -6.596 7.485
127 HD22 LEU 14 1HD2 LEU 14 4.222 -6.532 5.739
128 HD23 LEU 14 2HD2 LEU 14 4.614 -8.005 6.620
129 HA PRO 15 HA PRO 15 -0.511 -10.444 11.391
130 HB2 PRO 15 2HB PRO 15 -2.595 -10.821 9.354
131 HB3 PRO 15 1HB PRO 15 -2.753 -10.261 11.020
132 HG2 PRO 15 2HG PRO 15 -3.103 -8.619 8.913
133 HG3 PRO 15 1HG PRO 15 -2.421 -8.054 10.448
134 HD2 PRO 15 2HD PRO 15 -1.026 -8.742 7.891
135 HD3 PRO 15 1HD PRO 15 -0.716 -7.407 9.022
136 H ASP 16 H ASP 16 0.382 -10.709 8.124
137 HA ASP 16 HA ASP 16 0.115 -13.536 7.804
138 HB2 ASP 16 2HB ASP 16 1.946 -11.641 6.311
139 HB3 ASP 16 1HB ASP 16 1.391 -13.219 5.770
140 H GLY 17 H GLY 17 2.219 -11.522 9.524
141 HA2 GLY 17 2HA GLY 17 3.948 -12.251 10.949
142 HA3 GLY 17 1HA GLY 17 4.084 -13.724 9.998
143 H THR 18 H THR 18 3.850 -11.169 7.942
144 HA THR 18 HA THR 18 6.652 -11.376 7.239
145 HB THR 18 HB THR 18 4.655 -9.690 5.765
146 HG1 THR 18 HG1 THR 18 4.855 -12.449 5.199
147 HG21 THR 18 3HG2 THR 18 6.942 -9.713 4.937
148 HG22 THR 18 1HG2 THR 18 5.885 -10.555 3.804
149 HG23 THR 18 2HG2 THR 18 6.931 -11.476 4.885
150 H VAL 19 H VAL 19 7.772 -9.324 6.513
151 HA VAL 19 HA VAL 19 7.105 -7.037 8.251
152 HB VAL 19 HB VAL 19 9.814 -7.812 7.136
153 HG11 VAL 19 1HG1 VAL 19 10.681 -5.973 8.517
154 HG12 VAL 19 2HG1 VAL 19 9.029 -5.525 8.942
155 HG13 VAL 19 3HG1 VAL 19 9.572 -5.395 7.270
156 HG21 VAL 19 3HG2 VAL 19 10.423 -8.202 9.480
157 HG22 VAL 19 1HG2 VAL 19 9.125 -9.272 8.952
158 HG23 VAL 19 2HG2 VAL 19 8.761 -7.871 9.959
159 H LEU 20 H LEU 20 6.527 -5.221 7.266
160 HA LEU 20 HA LEU 20 7.060 -4.964 4.377
161 HG LEU 20 HG LEU 20 5.169 -2.278 4.457
162 HB2 LEU 20 2HB LEU 20 4.729 -5.247 4.693
163 HB3 LEU 20 1HB LEU 20 4.689 -4.136 6.046
164 HD11 LEU 20 1HD1 LEU 20 6.251 -3.590 2.697
165 HD12 LEU 20 2HD1 LEU 20 4.884 -2.667 2.069
166 HD13 LEU 20 3HD1 LEU 20 4.720 -4.400 2.361
167 HD21 LEU 20 3HD2 LEU 20 2.903 -2.818 5.195
168 HD22 LEU 20 1HD2 LEU 20 2.734 -3.944 3.851
169 HD23 LEU 20 2HD2 LEU 20 2.916 -2.218 3.536
170 H SER 21 H SER 21 8.764 -3.635 4.208
171 HA SER 21 HA SER 21 8.971 -1.351 6.019
172 HG SER 21 HG SER 21 10.692 -3.275 3.424
173 HB2 SER 21 2HB SER 21 11.234 -1.101 5.182
174 HB3 SER 21 1HB SER 21 10.966 -2.789 5.609
175 H ARG 22 H ARG 22 9.753 0.725 4.992
176 HA ARG 22 HA ARG 22 7.877 1.644 3.088
177 HE ARG 22 HE ARG 22 9.137 5.572 3.655
178 HB2 ARG 22 2HB ARG 22 10.437 2.862 4.120
179 HB3 ARG 22 1HB ARG 22 9.331 3.703 3.042
180 HG2 ARG 22 2HG ARG 22 7.567 3.558 4.706
181 HG3 ARG 22 1HG ARG 22 8.637 2.656 5.780
182 HD2 ARG 22 2HD ARG 22 8.522 4.997 6.436
183 HD3 ARG 22 1HD ARG 22 10.145 4.578 5.894
184 HH11 ARG 22 1HH1 ARG 22 8.927 6.771 6.940
185 HH12 ARG 22 2HH1 ARG 22 8.847 8.441 6.463
186 HH21 ARG 22 1HH2 ARG 22 8.990 7.768 3.024
187 HH22 ARG 22 2HH2 ARG 22 8.809 8.994 4.246
188 H ALA 23 H ALA 23 10.764 -0.080 2.706
189 HA ALA 23 HA ALA 23 11.158 0.841 -0.041
190 HB1 ALA 23 3HB ALA 23 13.197 -0.510 0.000
191 HB2 ALA 23 1HB ALA 23 12.796 -1.067 1.623
192 HB3 ALA 23 2HB ALA 23 13.154 0.636 1.336
193 H ASP 24 H ASP 24 9.432 -1.485 1.643
194 HA ASP 24 HA ASP 24 9.527 -3.494 -0.451
195 HB2 ASP 24 2HB ASP 24 8.006 -3.287 2.140
196 HB3 ASP 24 1HB ASP 24 7.622 -4.520 0.946
197 H LEU 25 H LEU 25 7.853 -0.642 0.252
198 HA LEU 25 HA LEU 25 5.418 -0.991 -1.045
199 HG LEU 25 HG LEU 25 6.026 0.630 1.236
200 HB2 LEU 25 2HB LEU 25 7.259 1.386 -0.853
201 HB3 LEU 25 1HB LEU 25 5.695 1.475 -1.642
202 HD11 LEU 25 1HD1 LEU 25 5.386 2.902 1.837
203 HD12 LEU 25 2HD1 LEU 25 5.411 3.370 0.137
204 HD13 LEU 25 3HD1 LEU 25 6.906 2.895 0.942
205 HD21 LEU 25 3HD2 LEU 25 3.938 -0.035 0.146
206 HD22 LEU 25 1HD2 LEU 25 3.661 1.637 -0.341
207 HD23 LEU 25 2HD2 LEU 25 3.658 1.206 1.368
208 HA PRO 26 HA PRO 26 6.650 -2.136 -5.136
209 HB2 PRO 26 2HB PRO 26 4.337 -1.283 -6.400
210 HB3 PRO 26 1HB PRO 26 4.530 -2.842 -5.593
211 HG2 PRO 26 2HG PRO 26 3.282 -0.325 -4.579
212 HG3 PRO 26 1HG PRO 26 2.755 -2.004 -4.370
213 HD2 PRO 26 2HD PRO 26 4.002 -0.682 -2.408
214 HD3 PRO 26 1HD PRO 26 4.305 -2.412 -2.693
215 HA PRO 27 HA PRO 27 8.315 1.557 -6.877
216 HB2 PRO 27 2HB PRO 27 8.705 0.734 -9.445
217 HB3 PRO 27 1HB PRO 27 9.731 0.228 -8.098
218 HG2 PRO 27 2HG PRO 27 7.457 -1.223 -9.395
219 HG3 PRO 27 1HG PRO 27 9.036 -1.849 -8.883
220 HD2 PRO 27 2HD PRO 27 6.799 -2.208 -7.414
221 HD3 PRO 27 1HD PRO 27 8.396 -1.994 -6.666
222 H LEU 28 H LEU 28 7.847 3.292 -8.264
223 HA LEU 28 HA LEU 28 5.084 3.734 -8.730
224 HG LEU 28 HG LEU 28 7.577 5.224 -7.317
225 HB2 LEU 28 2HB LEU 28 7.439 5.326 -9.753
226 HB3 LEU 28 1HB LEU 28 5.779 5.880 -9.650
227 HD11 LEU 28 1HD1 LEU 28 6.494 7.841 -8.339
228 HD12 LEU 28 2HD1 LEU 28 8.172 7.303 -8.413
229 HD13 LEU 28 3HD1 LEU 28 7.416 7.623 -6.852
230 HD21 LEU 28 3HD2 LEU 28 4.745 6.253 -7.355
231 HD22 LEU 28 1HD2 LEU 28 5.759 6.064 -5.923
232 HD23 LEU 28 2HD2 LEU 28 5.256 4.646 -6.843
233 H ASP 29 H ASP 29 7.560 2.323 -10.584
234 HA ASP 29 HA ASP 29 6.589 2.829 -13.191
235 HB2 ASP 29 2HB ASP 29 8.265 0.557 -12.110
236 HB3 ASP 29 1HB ASP 29 7.950 0.826 -13.822
237 H THR 30 H THR 30 5.606 0.712 -10.663
238 HA THR 30 HA THR 30 4.262 -1.211 -12.237
239 HB THR 30 HB THR 30 3.768 -0.358 -9.378
240 HG1 THR 30 HG1 THR 30 5.768 -1.682 -10.473
241 HG21 THR 30 3HG2 THR 30 2.588 -2.492 -9.135
242 HG22 THR 30 1HG2 THR 30 2.807 -2.811 -10.855
243 HG23 THR 30 2HG2 THR 30 1.799 -1.462 -10.331
244 H ARG 31 H ARG 31 2.703 -0.801 -13.566
245 HA ARG 31 HA ARG 31 0.649 1.154 -12.775
246 HE ARG 31 HE ARG 31 2.078 2.982 -13.302
247 HB2 ARG 31 2HB ARG 31 2.206 1.585 -14.837
248 HB3 ARG 31 1HB ARG 31 1.163 0.411 -15.631
249 HG2 ARG 31 2HG ARG 31 0.524 2.782 -15.990
250 HG3 ARG 31 1HG ARG 31 -0.751 1.774 -15.306
251 HD2 ARG 31 2HD ARG 31 -0.502 4.043 -14.255
252 HD3 ARG 31 1HD ARG 31 -0.433 2.681 -13.140
253 HH11 ARG 31 1HH1 ARG 31 -0.162 5.631 -13.746
254 HH12 ARG 31 2HH1 ARG 31 0.950 6.837 -13.178
255 HH21 ARG 31 1HH2 ARG 31 3.536 4.558 -12.493
256 HH22 ARG 31 2HH2 ARG 31 3.045 6.228 -12.440
257 H ARG 32 H ARG 32 1.311 -1.857 -14.543
258 HA ARG 32 HA ARG 32 -1.411 -2.742 -14.262
259 HE ARG 32 HE ARG 32 -2.586 -7.195 -14.808
260 HB2 ARG 32 2HB ARG 32 -0.067 -3.685 -16.074
261 HB3 ARG 32 1HB ARG 32 1.103 -4.302 -14.914
262 HG2 ARG 32 2HG ARG 32 -0.391 -6.055 -15.755
263 HG3 ARG 32 1HG ARG 32 -0.547 -5.826 -14.011
264 HD2 ARG 32 2HD ARG 32 -2.507 -4.297 -14.541
265 HD3 ARG 32 1HD ARG 32 -2.424 -4.929 -16.185
266 HH11 ARG 32 1HH1 ARG 32 -4.371 -4.204 -14.451
267 HH12 ARG 32 2HH1 ARG 32 -5.799 -4.976 -13.827
268 HH21 ARG 32 1HH2 ARG 32 -4.482 -8.226 -14.022
269 HH22 ARG 32 2HH2 ARG 32 -5.862 -7.266 -13.595
270 H TRP 33 H TRP 33 -1.705 -2.265 -12.080
271 HA TRP 33 HA TRP 33 -0.129 -3.332 -9.994
272 HD1 TRP 33 HD1 TRP 33 -2.118 0.100 -11.002
273 HE1 TRP 33 HE1 TRP 33 -0.696 1.970 -9.944
274 HE3 TRP 33 HE3 TRP 33 -0.224 -2.488 -7.035
275 HZ2 TRP 33 HZ2 TRP 33 1.003 2.291 -7.723
276 HZ3 TRP 33 HZ3 TRP 33 1.292 -1.330 -5.486
277 HH2 TRP 33 HH2 TRP 33 1.894 1.009 -5.824
278 HB2 TRP 33 2HB TRP 33 -2.933 -2.253 -10.108
279 HB3 TRP 33 1HB TRP 33 -2.225 -2.847 -8.610
280 H VAL 34 H VAL 34 0.106 -5.367 -9.454
281 HA VAL 34 HA VAL 34 -2.063 -7.266 -9.895
282 HB VAL 34 HB VAL 34 -0.464 -8.997 -9.175
283 HG11 VAL 34 1HG1 VAL 34 0.662 -7.136 -11.264
284 HG12 VAL 34 2HG1 VAL 34 -0.565 -8.372 -11.533
285 HG13 VAL 34 3HG1 VAL 34 1.069 -8.842 -11.071
286 HG21 VAL 34 3HG2 VAL 34 0.836 -7.711 -7.571
287 HG22 VAL 34 1HG2 VAL 34 1.476 -6.706 -8.871
288 HG23 VAL 34 2HG2 VAL 34 1.894 -8.417 -8.795
289 H ALA 35 H ALA 35 -2.597 -8.764 -8.076
290 HA ALA 35 HA ALA 35 -3.683 -7.334 -5.961
291 HB1 ALA 35 3HB ALA 35 -4.492 -9.527 -6.674
292 HB2 ALA 35 1HB ALA 35 -4.182 -9.485 -4.938
293 HB3 ALA 35 2HB ALA 35 -3.036 -10.275 -6.021
294 H SER 36 H SER 36 -0.658 -9.174 -6.073
295 HA SER 36 HA SER 36 -0.037 -9.058 -3.351
296 HG SER 36 HG SER 36 1.755 -11.471 -4.954
297 HB2 SER 36 2HB SER 36 1.880 -9.118 -5.689
298 HB3 SER 36 1HB SER 36 2.253 -9.579 -4.028
299 H ARG 37 H ARG 37 0.652 -6.750 -5.948
300 HA ARG 37 HA ARG 37 2.283 -5.100 -4.238
301 HE ARG 37 HE ARG 37 5.331 -6.310 -7.759
302 HB2 ARG 37 2HB ARG 37 1.222 -4.597 -7.026
303 HB3 ARG 37 1HB ARG 37 2.359 -3.550 -6.178
304 HG2 ARG 37 2HG ARG 37 3.887 -5.530 -5.998
305 HG3 ARG 37 1HG ARG 37 2.787 -6.388 -7.071
306 HD2 ARG 37 2HD ARG 37 3.176 -4.736 -8.816
307 HD3 ARG 37 1HD ARG 37 4.237 -3.827 -7.736
308 HH11 ARG 37 1HH1 ARG 37 4.573 -3.972 -10.261
309 HH12 ARG 37 2HH1 ARG 37 5.757 -4.593 -11.365
310 HH21 ARG 37 1HH2 ARG 37 6.880 -7.109 -9.192
311 HH22 ARG 37 2HH2 ARG 37 7.080 -6.380 -10.764
312 H LYS 38 H LYS 38 -1.030 -5.103 -5.397
313 HA LYS 38 HA LYS 38 -1.774 -2.596 -4.324
314 HB2 LYS 38 2HB LYS 38 -3.399 -5.092 -4.841
315 HB3 LYS 38 1HB LYS 38 -4.101 -3.573 -4.304
316 HG2 LYS 38 2HG LYS 38 -3.061 -2.523 -6.359
317 HG3 LYS 38 1HG LYS 38 -2.743 -4.170 -6.912
318 HD2 LYS 38 2HD LYS 38 -5.092 -4.694 -6.882
319 HD3 LYS 38 1HD LYS 38 -5.470 -3.136 -6.140
320 HE2 LYS 38 2HE LYS 38 -4.496 -2.046 -8.183
321 HE3 LYS 38 1HE LYS 38 -4.416 -3.646 -8.913
322 HZ1 LYS 38 3HZ LYS 38 -6.405 -2.430 -9.567
323 HZ2 LYS 38 1HZ LYS 38 -6.894 -2.334 -7.950
324 HZ3 LYS 38 2HZ LYS 38 -6.802 -3.844 -8.712
325 H ALA 39 H ALA 39 -1.788 -5.869 -2.992
326 HA ALA 39 HA ALA 39 -2.951 -5.291 -0.512
327 HB1 ALA 39 3HB ALA 39 -2.679 -7.559 -1.378
328 HB2 ALA 39 1HB ALA 39 -1.985 -7.398 0.236
329 HB3 ALA 39 2HB ALA 39 -0.931 -7.427 -1.178
330 H ALA 40 H ALA 40 0.416 -5.155 -1.578
331 HA ALA 40 HA ALA 40 1.600 -4.736 0.930
332 HB1 ALA 40 3HB ALA 40 2.503 -3.723 -1.766
333 HB2 ALA 40 1HB ALA 40 2.891 -5.292 -1.064
334 HB3 ALA 40 2HB ALA 40 3.498 -3.816 -0.314
335 H VAL 41 H VAL 41 0.297 -2.435 -1.432
336 HA VAL 41 HA VAL 41 1.048 -0.108 -0.007
337 HB VAL 41 HB VAL 41 -1.182 -0.455 -2.016
338 HG11 VAL 41 1HG1 VAL 41 0.192 2.044 -1.035
339 HG12 VAL 41 2HG1 VAL 41 -1.477 1.574 -0.713
340 HG13 VAL 41 3HG1 VAL 41 -0.971 1.968 -2.357
341 HG21 VAL 41 3HG2 VAL 41 1.684 0.409 -2.375
342 HG22 VAL 41 1HG2 VAL 41 0.445 0.444 -3.629
343 HG23 VAL 41 2HG2 VAL 41 0.962 -1.095 -2.943
344 H VAL 42 H VAL 42 -2.027 -1.906 -0.162
345 HA VAL 42 HA VAL 42 -3.406 -0.102 1.523
346 HB VAL 42 HB VAL 42 -4.608 -1.600 0.006
347 HG11 VAL 42 1HG1 VAL 42 -4.966 -3.955 0.584
348 HG12 VAL 42 2HG1 VAL 42 -3.791 -3.804 1.891
349 HG13 VAL 42 3HG1 VAL 42 -3.275 -3.616 0.215
350 HG21 VAL 42 3HG2 VAL 42 -5.792 -0.626 1.876
351 HG22 VAL 42 1HG2 VAL 42 -5.319 -1.978 2.906
352 HG23 VAL 42 2HG2 VAL 42 -6.406 -2.246 1.542
353 H LYS 43 H LYS 43 -1.645 -3.112 2.206
354 HA LYS 43 HA LYS 43 -2.355 -3.235 4.945
355 HB2 LYS 43 2HB LYS 43 0.019 -4.354 3.451
356 HB3 LYS 43 1HB LYS 43 -0.275 -4.662 5.157
357 HG2 LYS 43 2HG LYS 43 -2.424 -5.705 4.585
358 HG3 LYS 43 1HG LYS 43 -2.093 -5.424 2.873
359 HD2 LYS 43 2HD LYS 43 -0.106 -6.831 3.019
360 HD3 LYS 43 1HD LYS 43 -0.399 -7.086 4.740
361 HE2 LYS 43 2HE LYS 43 -2.555 -8.153 4.179
362 HE3 LYS 43 1HE LYS 43 -2.187 -7.952 2.466
363 HZ1 LYS 43 3HZ LYS 43 -0.700 -9.621 4.430
364 HZ2 LYS 43 1HZ LYS 43 -0.169 -9.322 2.842
365 HZ3 LYS 43 2HZ LYS 43 -1.619 -10.161 3.112
366 H ALA 44 H ALA 44 0.212 -1.591 3.197
367 HA ALA 44 HA ALA 44 1.764 -0.747 5.366
368 HB1 ALA 44 3HB ALA 44 2.513 -0.508 3.062
369 HB2 ALA 44 1HB ALA 44 2.537 1.055 3.879
370 HB3 ALA 44 2HB ALA 44 1.236 0.669 2.752
371 H VAL 45 H VAL 45 -1.027 0.740 3.797
372 HA VAL 45 HA VAL 45 -1.076 3.087 5.376
373 HB VAL 45 HB VAL 45 -3.266 1.742 3.783
374 HG11 VAL 45 1HG1 VAL 45 -3.205 4.547 4.885
375 HG12 VAL 45 2HG1 VAL 45 -4.171 3.222 5.534
376 HG13 VAL 45 3HG1 VAL 45 -4.481 3.821 3.906
377 HG21 VAL 45 3HG2 VAL 45 -1.466 4.077 3.137
378 HG22 VAL 45 1HG2 VAL 45 -2.758 3.452 2.109
379 HG23 VAL 45 2HG2 VAL 45 -1.345 2.455 2.455
380 H ILE 46 H ILE 46 -2.811 0.003 5.621
381 HA ILE 46 HA ILE 46 -4.492 0.775 7.753
382 HB ILE 46 HB ILE 46 -3.628 -1.985 6.877
383 HG12 ILE 46 2HG1 ILE 46 -6.162 -0.418 6.331
384 HG13 ILE 46 1HG1 ILE 46 -4.839 -0.616 5.187
385 HG21 ILE 46 1HG2 ILE 46 -4.429 -1.997 9.195
386 HG22 ILE 46 2HG2 ILE 46 -5.554 -2.820 8.115
387 HG23 ILE 46 3HG2 ILE 46 -5.911 -1.189 8.681
388 HD11 ILE 46 3HD1 ILE 46 -6.565 -2.819 6.296
389 HD12 ILE 46 1HD1 ILE 46 -5.243 -3.022 5.146
390 HD13 ILE 46 2HD1 ILE 46 -6.682 -2.111 4.683
391 H HIS 47 H HIS 47 -1.277 -0.703 7.693
392 HA HIS 47 HA HIS 47 -1.303 -1.105 10.557
393 HD1 HIS 47 HD1 HIS 47 -1.196 -3.402 11.052
394 HD2 HIS 47 HD2 HIS 47 0.529 -3.848 7.295
395 HE1 HIS 47 HE1 HIS 47 -1.876 -5.683 10.261
396 HE2 HIS 47 HE2 HIS 47 -1.081 -5.790 7.876
397 HB2 HIS 47 2HB HIS 47 0.889 -1.471 8.513
398 HB3 HIS 47 1HB HIS 47 1.100 -1.778 10.235
399 H GLY 48 H GLY 48 -0.468 1.440 8.426
400 HA2 GLY 48 2HA GLY 48 -0.316 3.638 9.369
401 HA3 GLY 48 1HA GLY 48 0.458 2.940 10.782
402 H LEU 49 H LEU 49 1.790 1.469 8.144
403 HA LEU 49 HA LEU 49 4.337 2.585 8.377
404 HG LEU 49 HG LEU 49 5.329 2.367 5.524
405 HB2 LEU 49 2HB LEU 49 3.843 0.422 7.283
406 HB3 LEU 49 1HB LEU 49 3.087 1.274 5.953
407 HD11 LEU 49 1HD1 LEU 49 7.297 1.212 6.418
408 HD12 LEU 49 2HD1 LEU 49 6.244 0.223 7.433
409 HD13 LEU 49 3HD1 LEU 49 6.337 1.964 7.693
410 HD21 LEU 49 3HD2 LEU 49 6.202 0.439 4.335
411 HD22 LEU 49 1HD2 LEU 49 4.449 0.527 4.169
412 HD23 LEU 49 2HD2 LEU 49 5.173 -0.634 5.283
413 H ILE 50 H ILE 50 1.881 3.147 5.885
414 HA ILE 50 HA ILE 50 2.847 5.914 5.653
415 HB ILE 50 HB ILE 50 2.295 5.942 3.277
416 HG12 ILE 50 2HG1 ILE 50 1.900 2.954 3.408
417 HG13 ILE 50 1HG1 ILE 50 0.556 4.090 3.493
418 HG21 ILE 50 1HG2 ILE 50 4.109 4.526 2.428
419 HG22 ILE 50 2HG2 ILE 50 4.177 3.695 3.981
420 HG23 ILE 50 3HG2 ILE 50 4.580 5.410 3.878
421 HD11 ILE 50 3HD1 ILE 50 0.877 3.201 1.244
422 HD12 ILE 50 1HD1 ILE 50 2.507 3.875 1.210
423 HD13 ILE 50 2HD1 ILE 50 1.107 4.949 1.301
424 H THR 51 H THR 51 0.915 7.069 4.236
425 HA THR 51 HA THR 51 -1.596 6.201 5.487
426 HB THR 51 HB THR 51 -0.809 8.242 6.587
427 HG1 THR 51 HG1 THR 51 -2.748 9.601 5.725
428 HG21 THR 51 3HG2 THR 51 -0.965 9.511 3.850
429 HG22 THR 51 1HG2 THR 51 0.515 9.178 4.749
430 HG23 THR 51 2HG2 THR 51 -0.644 10.353 5.366
431 H GLU 52 H GLU 52 -3.534 7.131 4.317
432 HA GLU 52 HA GLU 52 -3.631 6.134 1.725
433 HB2 GLU 52 2HB GLU 52 -5.390 7.910 3.355
434 HB3 GLU 52 1HB GLU 52 -5.751 7.687 1.646
435 HG2 GLU 52 2HG GLU 52 -6.303 5.516 1.896
436 HG3 GLU 52 1HG GLU 52 -5.237 5.274 3.275
437 H ARG 53 H ARG 53 -3.369 9.484 2.813
438 HA ARG 53 HA ARG 53 -3.499 10.653 0.268
439 HE ARG 53 HE ARG 53 -6.575 12.094 0.869
440 HB2 ARG 53 2HB ARG 53 -2.494 11.582 2.940
441 HB3 ARG 53 1HB ARG 53 -2.241 12.579 1.513
442 HG2 ARG 53 2HG ARG 53 -4.954 11.574 2.312
443 HG3 ARG 53 1HG ARG 53 -4.282 13.093 2.913
444 HD2 ARG 53 2HD ARG 53 -4.916 14.119 1.050
445 HD3 ARG 53 1HD ARG 53 -3.912 13.024 0.104
446 HH11 ARG 53 1HH1 ARG 53 -4.401 13.312 -1.601
447 HH12 ARG 53 2HH1 ARG 53 -5.484 12.950 -2.918
448 HH21 ARG 53 1HH2 ARG 53 -8.001 11.589 -0.867
449 HH22 ARG 53 2HH2 ARG 53 -7.514 11.970 -2.495
450 H GLU 54 H GLU 54 -0.889 9.250 2.065
451 HA GLU 54 HA GLU 54 1.251 10.272 0.491
452 HB2 GLU 54 2HB GLU 54 1.683 9.500 2.735
453 HB3 GLU 54 1HB GLU 54 1.022 7.915 2.372
454 HG2 GLU 54 2HG GLU 54 3.425 7.824 2.499
455 HG3 GLU 54 1HG GLU 54 2.890 7.488 0.855
456 H ALA 55 H ALA 55 -0.565 7.234 0.532
457 HA ALA 55 HA ALA 55 0.904 5.979 -1.536
458 HB1 ALA 55 3HB ALA 55 -1.884 5.438 -0.521
459 HB2 ALA 55 1HB ALA 55 -0.394 4.689 0.054
460 HB3 ALA 55 2HB ALA 55 -0.968 4.374 -1.585
461 H LEU 56 H LEU 56 -2.220 7.665 -1.504
462 HA LEU 56 HA LEU 56 -2.863 7.253 -4.201
463 HG LEU 56 HG LEU 56 -4.279 7.398 -1.412
464 HB2 LEU 56 2HB LEU 56 -3.659 9.574 -2.442
465 HB3 LEU 56 1HB LEU 56 -4.463 9.074 -3.916
466 HD11 LEU 56 1HD1 LEU 56 -5.638 9.385 -1.048
467 HD12 LEU 56 2HD1 LEU 56 -6.630 7.930 -1.090
468 HD13 LEU 56 3HD1 LEU 56 -6.587 9.008 -2.486
469 HD21 LEU 56 3HD2 LEU 56 -5.863 7.035 -3.952
470 HD22 LEU 56 1HD2 LEU 56 -5.984 6.025 -2.512
471 HD23 LEU 56 2HD2 LEU 56 -4.480 6.069 -3.433
472 H ASP 57 H ASP 57 -0.955 9.738 -2.613
473 HA ASP 57 HA ASP 57 -0.819 11.487 -4.847
474 HB2 ASP 57 2HB ASP 57 -0.388 12.222 -2.527
475 HB3 ASP 57 1HB ASP 57 1.085 11.260 -2.510
476 H ARG 58 H ARG 58 1.573 9.224 -3.476
477 HA ARG 58 HA ARG 58 3.506 9.752 -5.465
478 HE ARG 58 HE ARG 58 4.310 7.824 -1.261
479 HB2 ARG 58 2HB ARG 58 4.713 7.815 -4.582
480 HB3 ARG 58 1HB ARG 58 4.132 8.852 -3.288
481 HG2 ARG 58 2HG ARG 58 2.361 7.327 -2.773
482 HG3 ARG 58 1HG ARG 58 2.754 6.333 -4.178
483 HD2 ARG 58 2HD ARG 58 3.615 5.358 -2.095
484 HD3 ARG 58 1HD ARG 58 4.911 5.781 -3.213
485 HH11 ARG 58 1HH1 ARG 58 6.170 4.932 -1.923
486 HH12 ARG 58 2HH1 ARG 58 7.427 5.320 -0.789
487 HH21 ARG 58 1HH2 ARG 58 5.948 8.354 0.209
488 HH22 ARG 58 2HH2 ARG 58 7.304 7.284 0.425
489 H TYR 59 H TYR 59 0.964 7.305 -5.251
490 HA TYR 59 HA TYR 59 2.021 5.989 -7.631
491 HD1 TYR 59 HD2 TYR 59 2.785 3.718 -7.321
492 HD2 TYR 59 HD1 TYR 59 0.587 4.513 -3.764
493 HE1 TYR 59 HE2 TYR 59 4.428 2.428 -6.023
494 HE2 TYR 59 HE1 TYR 59 2.227 3.228 -2.459
495 HH TYR 59 HH TYR 59 5.152 1.929 -3.948
496 HB2 TYR 59 2HB TYR 59 -0.247 5.265 -5.779
497 HB3 TYR 59 1HB TYR 59 0.176 4.341 -7.215
498 H SER 60 H SER 60 0.110 8.589 -7.123
499 HA SER 60 HA SER 60 -1.401 9.746 -8.367
500 HG SER 60 HG SER 60 1.273 8.992 -9.828
501 HB2 SER 60 2HB SER 60 -0.492 7.875 -10.568
502 HB3 SER 60 1HB SER 60 -1.358 9.394 -10.800
503 H LEU 61 H LEU 61 -2.421 7.695 -6.803
504 HA LEU 61 HA LEU 61 -4.378 6.253 -8.423
505 HG LEU 61 HG LEU 61 -1.982 5.099 -6.902
506 HB2 LEU 61 2HB LEU 61 -3.759 6.113 -5.470
507 HB3 LEU 61 1HB LEU 61 -4.934 5.113 -6.298
508 HD11 LEU 61 1HD1 LEU 61 -2.399 4.298 -4.646
509 HD12 LEU 61 2HD1 LEU 61 -1.948 2.963 -5.708
510 HD13 LEU 61 3HD1 LEU 61 -3.637 3.197 -5.252
511 HD21 LEU 61 3HD2 LEU 61 -4.224 3.272 -7.754
512 HD22 LEU 61 1HD2 LEU 61 -2.510 3.032 -8.103
513 HD23 LEU 61 2HD2 LEU 61 -3.363 4.417 -8.785
514 H SER 62 H SER 62 -6.626 6.154 -7.544
515 HA SER 62 HA SER 62 -7.468 8.794 -6.574
516 HG SER 62 HG SER 62 -7.333 8.144 -9.035
517 HB2 SER 62 2HB SER 62 -9.138 6.659 -7.937
518 HB3 SER 62 1HB SER 62 -9.644 8.305 -7.549
519 H GLU 63 H GLU 63 -9.116 8.870 -4.933
520 HA GLU 63 HA GLU 63 -8.522 7.181 -2.770
521 HB2 GLU 63 2HB GLU 63 -9.526 9.618 -2.949
522 HB3 GLU 63 1HB GLU 63 -11.054 8.755 -2.848
523 HG2 GLU 63 2HG GLU 63 -10.529 7.878 -0.725
524 HG3 GLU 63 1HG GLU 63 -8.845 8.384 -0.860
525 H GLU 64 H GLU 64 -11.141 7.192 -5.121
526 HA GLU 64 HA GLU 64 -12.673 5.134 -3.863
527 HB2 GLU 64 2HB GLU 64 -13.772 4.947 -6.134
528 HB3 GLU 64 1HB GLU 64 -13.848 6.528 -5.376
529 HG2 GLU 64 2HG GLU 64 -11.632 5.961 -7.277
530 HG3 GLU 64 1HG GLU 64 -13.246 6.255 -7.915
531 H GLU 65 H GLU 65 -9.908 5.160 -5.921
532 HA GLU 65 HA GLU 65 -10.066 2.467 -6.847
533 HB2 GLU 65 2HB GLU 65 -8.688 4.119 -7.999
534 HB3 GLU 65 1HB GLU 65 -7.728 4.375 -6.551
535 HG2 GLU 65 2HG GLU 65 -6.501 3.054 -8.140
536 HG3 GLU 65 1HG GLU 65 -6.877 2.084 -6.722
537 H PHE 66 H PHE 66 -8.264 4.079 -4.238
538 HA PHE 66 HA PHE 66 -7.112 1.752 -3.154
539 HD1 PHE 66 HD1 PHE 66 -4.610 2.537 -2.100
540 HD2 PHE 66 HD2 PHE 66 -7.834 3.340 0.553
541 HE1 PHE 66 HE1 PHE 66 -3.307 1.589 -0.243
542 HE2 PHE 66 HE2 PHE 66 -6.536 2.392 2.419
543 HZ PHE 66 HZ PHE 66 -4.272 1.517 2.022
544 HB2 PHE 66 2HB PHE 66 -6.414 4.126 -2.672
545 HB3 PHE 66 1HB PHE 66 -7.827 4.263 -1.628
546 H ALA 67 H ALA 67 -10.237 3.261 -2.726
547 HA ALA 67 HA ALA 67 -11.153 1.842 -0.493
548 HB1 ALA 67 3HB ALA 67 -12.755 2.756 -2.882
549 HB2 ALA 67 1HB ALA 67 -12.361 3.742 -1.473
550 HB3 ALA 67 2HB ALA 67 -13.400 2.327 -1.298
551 H LEU 68 H LEU 68 -11.112 0.990 -3.927
552 HA LEU 68 HA LEU 68 -12.456 -1.490 -3.652
553 HG LEU 68 HG LEU 68 -12.434 0.844 -5.772
554 HB2 LEU 68 2HB LEU 68 -10.457 -0.616 -5.741
555 HB3 LEU 68 1HB LEU 68 -11.494 -2.023 -5.857
556 HD11 LEU 68 1HD1 LEU 68 -12.331 -1.151 -8.031
557 HD12 LEU 68 2HD1 LEU 68 -11.312 0.279 -7.859
558 HD13 LEU 68 3HD1 LEU 68 -13.049 0.459 -8.109
559 HD21 LEU 68 3HD2 LEU 68 -13.965 -1.725 -6.169
560 HD22 LEU 68 1HD2 LEU 68 -14.630 -0.096 -6.297
561 HD23 LEU 68 2HD2 LEU 68 -14.033 -0.688 -4.746
562 H TRP 69 H TRP 69 -9.045 -0.552 -3.651
563 HA TRP 69 HA TRP 69 -7.855 -3.062 -3.530
564 HD1 TRP 69 HD1 TRP 69 -8.022 -0.987 -5.353
565 HE1 TRP 69 HE1 TRP 69 -6.438 -0.140 -7.190
566 HE3 TRP 69 HE3 TRP 69 -3.706 -0.755 -2.628
567 HZ2 TRP 69 HZ2 TRP 69 -3.708 0.521 -7.444
568 HZ3 TRP 69 HZ3 TRP 69 -1.648 -0.008 -3.751
569 HH2 TRP 69 HH2 TRP 69 -1.651 0.613 -6.108
570 HB2 TRP 69 2HB TRP 69 -7.002 -0.490 -2.189
571 HB3 TRP 69 1HB TRP 69 -5.995 -1.928 -2.277
572 H ARG 70 H ARG 70 -8.833 -1.013 -0.781
573 HA ARG 70 HA ARG 70 -8.036 -2.947 1.149
574 HE ARG 70 HE ARG 70 -9.262 0.627 3.773
575 HB2 ARG 70 2HB ARG 70 -8.942 -1.460 2.799
576 HB3 ARG 70 1HB ARG 70 -8.135 -0.493 1.575
577 HG2 ARG 70 2HG ARG 70 -10.599 -0.414 0.581
578 HG3 ARG 70 1HG ARG 70 -11.000 -0.672 2.278
579 HD2 ARG 70 2HD ARG 70 -9.340 1.552 1.116
580 HD3 ARG 70 1HD ARG 70 -10.945 1.685 1.825
581 HH11 ARG 70 1HH1 ARG 70 -9.659 3.562 1.930
582 HH12 ARG 70 2HH1 ARG 70 -8.917 4.590 3.124
583 HH21 ARG 70 1HH2 ARG 70 -8.303 1.958 5.375
584 HH22 ARG 70 2HH2 ARG 70 -8.168 3.668 5.100
585 H SER 71 H SER 71 -11.004 -2.337 -0.569
586 HA SER 71 HA SER 71 -12.653 -3.877 1.196
587 HG SER 71 HG SER 71 -14.891 -4.417 -0.745
588 HB2 SER 71 2HB SER 71 -13.419 -2.024 -0.412
589 HB3 SER 71 1HB SER 71 -13.287 -3.235 -1.686
590 H ALA 72 H ALA 72 -10.676 -4.527 -1.599
591 HA ALA 72 HA ALA 72 -11.775 -7.181 -1.955
592 HB1 ALA 72 3HB ALA 72 -10.193 -7.406 -3.766
593 HB2 ALA 72 1HB ALA 72 -9.370 -5.928 -3.267
594 HB3 ALA 72 2HB ALA 72 -11.022 -5.854 -3.883
595 H VAL 73 H VAL 73 -8.843 -5.722 -0.610
596 HA VAL 73 HA VAL 73 -7.648 -8.318 -0.154
597 HB VAL 73 HB VAL 73 -6.685 -5.575 0.675
598 HG11 VAL 73 1HG1 VAL 73 -5.760 -7.309 2.114
599 HG12 VAL 73 2HG1 VAL 73 -4.515 -6.672 1.037
600 HG13 VAL 73 3HG1 VAL 73 -5.260 -8.234 0.699
601 HG21 VAL 73 3HG2 VAL 73 -6.777 -5.849 -1.747
602 HG22 VAL 73 1HG2 VAL 73 -5.856 -7.346 -1.620
603 HG23 VAL 73 2HG2 VAL 73 -5.106 -5.810 -1.183
604 H ALA 74 H ALA 74 -8.371 -5.593 2.041
605 HA ALA 74 HA ALA 74 -8.071 -7.276 4.334
606 HB1 ALA 74 3HB ALA 74 -8.655 -5.297 5.626
607 HB2 ALA 74 1HB ALA 74 -9.155 -4.467 4.152
608 HB3 ALA 74 2HB ALA 74 -7.464 -4.904 4.387
609 H ALA 75 H ALA 75 -10.806 -5.919 2.574
610 HA ALA 75 HA ALA 75 -12.677 -6.947 4.549
611 HB1 ALA 75 3HB ALA 75 -13.023 -4.714 3.596
612 HB2 ALA 75 1HB ALA 75 -14.386 -5.787 3.282
613 HB3 ALA 75 2HB ALA 75 -13.227 -5.435 2.001
614 H HIS 76 H HIS 76 -11.013 -8.524 2.367
615 HA HIS 76 HA HIS 76 -12.915 -9.981 0.877
616 HD1 HIS 76 HD1 HIS 76 -10.286 -13.400 1.882
617 HD2 HIS 76 HD2 HIS 76 -12.132 -11.678 -1.428
618 HE1 HIS 76 HE1 HIS 76 -10.863 -15.312 0.355
619 HE2 HIS 76 HE2 HIS 76 -12.153 -14.270 -1.538
620 HB2 HIS 76 2HB HIS 76 -10.481 -10.094 0.447
621 HB3 HIS 76 1HB HIS 76 -10.255 -10.927 1.981
622 H GLY 77 H GLY 77 -11.696 -10.264 4.141
623 HA2 GLY 77 2HA GLY 77 -13.756 -12.300 4.686
624 HA3 GLY 77 1HA GLY 77 -12.279 -12.109 5.625
625 H GLU 78 H GLU 78 -15.297 -10.498 4.741
626 HA GLU 78 HA GLU 78 -15.065 -8.815 7.139
627 HB2 GLU 78 2HB GLU 78 -16.833 -7.443 6.139
628 HB3 GLU 78 1HB GLU 78 -15.471 -7.619 5.041
629 HG2 GLU 78 2HG GLU 78 -16.642 -9.022 3.611
630 HG3 GLU 78 1HG GLU 78 -17.835 -9.441 4.840
631 H LYS 79 H LYS 79 -16.279 -11.721 6.374
632 HA LYS 79 HA LYS 79 -18.900 -11.375 7.604
633 HB2 LYS 79 2HB LYS 79 -17.635 -13.853 6.422
634 HB3 LYS 79 1HB LYS 79 -19.309 -13.692 6.936
635 HG2 LYS 79 2HG LYS 79 -17.987 -12.200 4.681
636 HG3 LYS 79 1HG LYS 79 -19.131 -13.531 4.531
637 HD2 LYS 79 2HD LYS 79 -19.827 -10.973 5.952
638 HD3 LYS 79 1HD LYS 79 -20.031 -11.160 4.211
639 HE2 LYS 79 2HE LYS 79 -22.132 -11.650 5.152
640 HE3 LYS 79 1HE LYS 79 -21.427 -13.207 4.727
641 HZ1 LYS 79 3HZ LYS 79 -20.873 -13.597 7.010
642 HZ2 LYS 79 1HZ LYS 79 -22.511 -13.168 6.921
643 HZ3 LYS 79 2HZ LYS 79 -21.368 -12.034 7.459
644 H ALA 80 H ALA 80 -15.740 -12.433 8.387
645 HA ALA 80 HA ALA 80 -16.680 -13.782 10.809
646 HB1 ALA 80 3HB ALA 80 -14.401 -14.570 11.082
647 HB2 ALA 80 1HB ALA 80 -13.870 -13.582 9.721
648 HB3 ALA 80 2HB ALA 80 -14.970 -14.933 9.452
649 H LEU 81 H LEU 81 -17.357 -11.989 12.000
650 HA LEU 81 HA LEU 81 -15.537 -9.808 12.467
651 HG LEU 81 HG LEU 81 -17.306 -8.310 11.742
652 HB2 LEU 81 2HB LEU 81 -18.240 -10.472 13.615
653 HB3 LEU 81 1HB LEU 81 -17.292 -9.107 14.168
654 HD11 LEU 81 1HD1 LEU 81 -18.022 -10.379 10.686
655 HD12 LEU 81 2HD1 LEU 81 -19.172 -9.082 10.369
656 HD13 LEU 81 3HD1 LEU 81 -19.548 -10.315 11.571
657 HD21 LEU 81 3HD2 LEU 81 -18.591 -7.233 13.485
658 HD22 LEU 81 1HD2 LEU 81 -19.881 -8.422 13.296
659 HD23 LEU 81 2HD2 LEU 81 -19.521 -7.295 11.988
660 H LYS 82 H LYS 82 -13.811 -11.197 13.230
661 HA LYS 82 HA LYS 82 -14.115 -12.084 16.001
662 HB2 LYS 82 2HB LYS 82 -12.874 -13.368 14.056
663 HB3 LYS 82 1HB LYS 82 -11.549 -12.287 14.466
664 HG2 LYS 82 2HG LYS 82 -11.301 -14.398 15.615
665 HG3 LYS 82 1HG LYS 82 -11.617 -13.106 16.777
666 HD2 LYS 82 2HD LYS 82 -13.899 -13.779 17.010
667 HD3 LYS 82 1HD LYS 82 -13.752 -14.928 15.679
668 HE2 LYS 82 2HE LYS 82 -12.282 -15.100 18.311
669 HE3 LYS 82 1HE LYS 82 -13.715 -16.029 17.875
670 HZ1 LYS 82 3HZ LYS 82 -10.983 -16.230 16.760
671 HZ2 LYS 82 1HZ LYS 82 -12.328 -16.830 15.912
672 HZ3 LYS 82 2HZ LYS 82 -11.947 -17.449 17.444
673 H VAL 83 H VAL 83 -12.196 -11.459 17.459
674 HA VAL 83 HA VAL 83 -12.346 -8.740 17.905
675 HB VAL 83 HB VAL 83 -11.731 -10.333 19.641
676 HG11 VAL 83 1HG1 VAL 83 -10.251 -11.786 18.381
677 HG12 VAL 83 2HG1 VAL 83 -9.440 -11.184 19.828
678 HG13 VAL 83 3HG1 VAL 83 -9.060 -10.492 18.250
679 HG21 VAL 83 3HG2 VAL 83 -10.013 -8.983 20.752
680 HG22 VAL 83 1HG2 VAL 83 -11.252 -7.982 19.998
681 HG23 VAL 83 2HG2 VAL 83 -9.677 -8.163 19.227
682 H THR 84 H THR 84 -10.004 -10.453 15.936
683 HA THR 84 HA THR 84 -8.180 -8.244 15.753
684 HB THR 84 HB THR 84 -8.274 -10.459 13.736
685 HG1 THR 84 HG1 THR 84 -6.861 -11.001 16.067
686 HG21 THR 84 3HG2 THR 84 -6.003 -9.094 15.195
687 HG22 THR 84 1HG2 THR 84 -6.549 -8.708 13.563
688 HG23 THR 84 2HG2 THR 84 -5.841 -10.287 13.907
689 H MET 85 H MET 85 -11.154 -9.008 14.283
690 HA MET 85 HA MET 85 -10.462 -7.890 11.698
691 HB2 MET 85 2HB MET 85 -12.846 -9.361 12.761
692 HB3 MET 85 1HB MET 85 -12.936 -8.494 11.231
693 HG2 MET 85 2HG MET 85 -12.447 -10.799 10.806
694 HG3 MET 85 1HG MET 85 -11.035 -9.828 10.401
695 HE1 MET 85 3HE MET 85 -10.927 -12.984 10.718
696 HE2 MET 85 1HE MET 85 -9.441 -13.179 11.648
697 HE3 MET 85 2HE MET 85 -9.516 -11.996 10.341
698 H ILE 86 H ILE 86 -11.870 -6.763 14.604
699 HA ILE 86 HA ILE 86 -13.728 -4.928 13.568
700 HB ILE 86 HB ILE 86 -12.150 -4.833 16.139
701 HG12 ILE 86 2HG1 ILE 86 -14.677 -5.157 16.912
702 HG13 ILE 86 1HG1 ILE 86 -14.824 -5.841 15.297
703 HG21 ILE 86 1HG2 ILE 86 -13.719 -3.093 16.888
704 HG22 ILE 86 2HG2 ILE 86 -14.387 -3.015 15.257
705 HG23 ILE 86 3HG2 ILE 86 -12.710 -2.552 15.544
706 HD11 ILE 86 3HD1 ILE 86 -12.927 -6.755 17.439
707 HD12 ILE 86 1HD1 ILE 86 -13.055 -7.438 15.817
708 HD13 ILE 86 2HD1 ILE 86 -14.412 -7.563 16.938
709 H GLN 87 H GLN 87 -10.262 -4.800 13.809
710 HA GLN 87 HA GLN 87 -9.865 -2.040 13.572
711 HB2 GLN 87 2HB GLN 87 -8.129 -3.752 14.150
712 HB3 GLN 87 1HB GLN 87 -8.085 -4.206 12.453
713 HG2 GLN 87 2HG GLN 87 -7.386 -1.938 11.866
714 HG3 GLN 87 1HG GLN 87 -7.417 -1.494 13.571
715 HE21 GLN 87 1HE2 GLN 87 -5.872 -2.387 14.976
716 HE22 GLN 87 2HE2 GLN 87 -4.381 -3.026 14.369
717 H LYS 88 H LYS 88 -10.456 -4.511 11.114
718 HA LYS 88 HA LYS 88 -9.789 -2.806 8.914
719 HB2 LYS 88 2HB LYS 88 -10.460 -4.563 7.490
720 HB3 LYS 88 1HB LYS 88 -9.766 -5.356 8.897
721 HG2 LYS 88 2HG LYS 88 -11.969 -5.846 9.757
722 HG3 LYS 88 1HG LYS 88 -12.712 -4.951 8.432
723 HD2 LYS 88 2HD LYS 88 -12.842 -7.303 7.955
724 HD3 LYS 88 1HD LYS 88 -11.689 -6.560 6.844
725 HE2 LYS 88 2HE LYS 88 -9.844 -7.332 8.263
726 HE3 LYS 88 1HE LYS 88 -11.005 -8.099 9.348
727 HZ1 LYS 88 3HZ LYS 88 -10.050 -9.686 7.798
728 HZ2 LYS 88 1HZ LYS 88 -10.609 -8.771 6.484
729 HZ3 LYS 88 2HZ LYS 88 -11.717 -9.519 7.527
730 H TYR 89 H TYR 89 -12.655 -3.410 10.781
731 HA TYR 89 HA TYR 89 -14.440 -2.270 8.829
732 HD1 TYR 89 HD2 TYR 89 -15.464 -4.204 8.332
733 HD2 TYR 89 HD1 TYR 89 -15.154 -4.976 12.502
734 HE1 TYR 89 HE2 TYR 89 -15.595 -6.620 7.889
735 HE2 TYR 89 HE1 TYR 89 -15.280 -7.391 12.072
736 HH TYR 89 HH TYR 89 -16.164 -8.901 10.274
737 HB2 TYR 89 2HB TYR 89 -14.956 -2.804 11.766
738 HB3 TYR 89 1HB TYR 89 -16.168 -2.494 10.528
739 H ARG 90 H ARG 90 -12.608 -1.185 11.593
740 HA ARG 90 HA ARG 90 -13.929 1.364 11.715
741 HE ARG 90 HE ARG 90 -10.652 0.359 15.010
742 HB2 ARG 90 2HB ARG 90 -11.375 0.406 13.013
743 HB3 ARG 90 1HB ARG 90 -12.147 1.953 13.340
744 HG2 ARG 90 2HG ARG 90 -14.193 0.646 14.020
745 HG3 ARG 90 1HG ARG 90 -13.185 -0.799 13.943
746 HD2 ARG 90 2HD ARG 90 -12.756 1.609 15.704
747 HD3 ARG 90 1HD ARG 90 -13.314 0.019 16.218
748 HH11 ARG 90 1HH1 ARG 90 -12.699 -0.692 17.652
749 HH12 ARG 90 2HH1 ARG 90 -11.378 -1.369 18.568
750 HH21 ARG 90 1HH2 ARG 90 -8.927 -0.522 16.198
751 HH22 ARG 90 2HH2 ARG 90 -9.237 -1.273 17.741
752 H GLN 91 H GLN 91 -11.180 0.037 10.005
753 HA GLN 91 HA GLN 91 -10.265 2.678 9.245
754 HB2 GLN 91 2HB GLN 91 -8.571 1.601 7.905
755 HB3 GLN 91 1HB GLN 91 -8.611 0.871 9.496
756 HG2 GLN 91 2HG GLN 91 -8.292 -0.915 8.068
757 HG3 GLN 91 1HG GLN 91 -10.017 -0.971 8.413
758 HE21 GLN 91 1HE2 GLN 91 -11.424 -0.892 6.742
759 HE22 GLN 91 2HE2 GLN 91 -10.972 -0.652 5.090
760 H LEU 92 H LEU 92 -12.653 0.552 8.313
761 HA LEU 92 HA LEU 92 -12.880 1.424 5.579
762 HG LEU 92 HG LEU 92 -15.053 0.665 4.500
763 HB2 LEU 92 2HB LEU 92 -13.702 -0.777 6.300
764 HB3 LEU 92 1HB LEU 92 -14.829 -0.008 7.395
765 HD11 LEU 92 1HD1 LEU 92 -16.004 -1.934 5.705
766 HD12 LEU 92 2HD1 LEU 92 -14.750 -1.760 4.478
767 HD13 LEU 92 3HD1 LEU 92 -16.419 -1.328 4.100
768 HD21 LEU 92 3HD2 LEU 92 -16.506 1.723 6.161
769 HD22 LEU 92 1HD2 LEU 92 -17.055 0.136 6.694
770 HD23 LEU 92 2HD2 LEU 92 -17.432 0.696 5.066
771 H HIS 93 H HIS 93 -13.907 2.393 8.714
772 HA HIS 93 HA HIS 93 -15.845 4.318 7.834
773 HD1 HIS 93 HD1 HIS 93 -14.874 5.829 12.102
774 HD2 HIS 93 HD2 HIS 93 -17.750 5.700 9.100
775 HE1 HIS 93 HE1 HIS 93 -16.383 7.800 12.523
776 HE2 HIS 93 HE2 HIS 93 -17.976 7.814 10.570
777 HB2 HIS 93 2HB HIS 93 -16.004 3.277 10.066
778 HB3 HIS 93 1HB HIS 93 -14.459 3.990 10.511
779 H HIS 94 H HIS 94 -14.259 5.161 6.208
780 HA HIS 94 HA HIS 94 -12.335 7.052 7.332
781 HD1 HIS 94 HD1 HIS 94 -11.328 8.374 3.275
782 HD2 HIS 94 HD2 HIS 94 -9.786 6.923 6.856
783 HE1 HIS 94 HE1 HIS 94 -9.076 9.454 3.534
784 HE2 HIS 94 HE2 HIS 94 -8.084 8.386 5.586
785 HB2 HIS 94 2HB HIS 94 -11.998 5.529 5.218
786 HB3 HIS 94 1HB HIS 94 -12.892 6.802 4.394
787 H HIS 95 H HIS 95 -15.527 6.933 6.676
788 HA HIS 95 HA HIS 95 -15.726 9.803 6.946
789 HD1 HIS 95 HD1 HIS 95 -15.903 7.324 3.274
790 HD2 HIS 95 HD2 HIS 95 -19.548 8.079 5.144
791 HE1 HIS 95 HE1 HIS 95 -17.504 5.591 2.389
792 HE2 HIS 95 HE2 HIS 95 -19.730 6.152 3.429
793 HB2 HIS 95 2HB HIS 95 -17.491 10.034 5.243
794 HB3 HIS 95 1HB HIS 95 -15.964 9.546 4.528
Start of MODEL 7
1 HA MET 1 HA MET 1 18.092 16.677 6.604
2 H1 MET 1 1H MET 1 18.325 18.587 5.187
3 H2 MET 1 2H MET 1 19.283 19.374 6.341
4 H3 MET 1 3H MET 1 17.658 19.050 6.677
5 HB2 MET 1 2HB MET 1 19.985 16.698 5.073
6 HB3 MET 1 1HB MET 1 20.951 17.594 6.235
7 HG2 MET 1 2HG MET 1 20.821 15.675 7.778
8 HG3 MET 1 1HG MET 1 19.931 14.780 6.549
9 HE1 MET 1 3HE MET 1 21.762 12.820 6.818
10 HE2 MET 1 1HE MET 1 22.653 13.791 7.996
11 HE3 MET 1 2HE MET 1 23.493 13.082 6.617
12 H TYR 2 H TYR 2 20.109 19.211 8.069
13 HA TYR 2 HA TYR 2 20.325 17.708 10.532
14 HD1 TYR 2 HD1 TYR 2 22.293 19.369 7.676
15 HD2 TYR 2 HD2 TYR 2 23.335 18.058 11.589
16 HE1 TYR 2 HE1 TYR 2 24.265 18.225 6.761
17 HE2 TYR 2 HE2 TYR 2 25.313 16.908 10.684
18 HH TYR 2 HH TYR 2 26.421 17.409 7.470
19 HB2 TYR 2 2HB TYR 2 21.347 20.440 9.737
20 HB3 TYR 2 1HB TYR 2 21.640 19.696 11.306
21 H LEU 3 H LEU 3 18.148 17.581 11.070
22 HA LEU 3 HA LEU 3 17.310 19.376 13.032
23 HG LEU 3 HG LEU 3 15.823 21.361 13.026
24 HB2 LEU 3 2HB LEU 3 16.799 20.671 10.822
25 HB3 LEU 3 1HB LEU 3 15.482 19.529 10.645
26 HD11 LEU 3 1HD1 LEU 3 15.453 22.641 10.994
27 HD12 LEU 3 2HD1 LEU 3 14.029 22.685 12.034
28 HD13 LEU 3 3HD1 LEU 3 14.050 21.646 10.607
29 HD21 LEU 3 3HD2 LEU 3 13.473 19.694 12.123
30 HD22 LEU 3 1HD2 LEU 3 13.497 20.791 13.505
31 HD23 LEU 3 2HD2 LEU 3 14.513 19.348 13.505
32 H LYS 4 H LYS 4 15.384 17.775 10.535
33 HA LYS 4 HA LYS 4 15.103 15.317 11.897
34 HB2 LYS 4 2HB LYS 4 13.672 16.738 13.377
35 HB3 LYS 4 1HB LYS 4 12.668 17.114 11.983
36 HG2 LYS 4 2HG LYS 4 12.261 14.649 11.738
37 HG3 LYS 4 1HG LYS 4 13.064 14.438 13.293
38 HD2 LYS 4 2HD LYS 4 10.671 14.500 13.614
39 HD3 LYS 4 1HD LYS 4 11.396 15.946 14.316
40 HE2 LYS 4 2HE LYS 4 10.755 17.249 12.386
41 HE3 LYS 4 1HE LYS 4 10.127 15.811 11.584
42 HZ1 LYS 4 3HZ LYS 4 8.382 17.173 12.593
43 HZ2 LYS 4 1HZ LYS 4 9.068 16.936 14.127
44 HZ3 LYS 4 2HZ LYS 4 8.437 15.617 13.264
45 H ARG 5 H ARG 5 14.834 13.932 10.311
46 HA ARG 5 HA ARG 5 13.455 14.755 7.857
47 HE ARG 5 HE ARG 5 14.332 10.324 4.752
48 HB2 ARG 5 2HB ARG 5 15.653 13.712 7.583
49 HB3 ARG 5 1HB ARG 5 15.135 12.318 8.516
50 HG2 ARG 5 2HG ARG 5 13.601 11.663 6.793
51 HG3 ARG 5 1HG ARG 5 13.921 13.144 5.891
52 HD2 ARG 5 2HD ARG 5 16.222 12.457 5.531
53 HD3 ARG 5 1HD ARG 5 15.957 11.006 6.500
54 HH11 ARG 5 1HH1 ARG 5 16.813 12.654 3.962
55 HH12 ARG 5 2HH1 ARG 5 16.847 12.242 2.275
56 HH21 ARG 5 1HH2 ARG 5 14.348 9.780 2.551
57 HH22 ARG 5 2HH2 ARG 5 15.407 10.624 1.459
58 H VAL 6 H VAL 6 11.887 13.080 6.943
59 HA VAL 6 HA VAL 6 9.933 12.401 8.864
60 HB VAL 6 HB VAL 6 10.224 11.283 6.071
61 HG11 VAL 6 1HG1 VAL 6 7.815 10.857 6.227
62 HG12 VAL 6 2HG1 VAL 6 7.828 11.416 7.898
63 HG13 VAL 6 3HG1 VAL 6 8.714 9.957 7.451
64 HG21 VAL 6 3HG2 VAL 6 10.123 13.715 6.045
65 HG22 VAL 6 1HG2 VAL 6 8.683 13.680 7.061
66 HG23 VAL 6 2HG2 VAL 6 8.623 13.025 5.425
67 H ASP 7 H ASP 7 10.933 11.203 10.461
68 HA ASP 7 HA ASP 7 11.506 8.409 9.731
69 HB2 ASP 7 2HB ASP 7 13.576 9.617 10.405
70 HB3 ASP 7 1HB ASP 7 12.831 9.980 11.958
71 H GLY 8 H GLY 8 9.926 7.222 10.419
72 HA2 GLY 8 2HA GLY 8 9.120 7.296 13.195
73 HA3 GLY 8 1HA GLY 8 7.844 7.696 12.045
74 HA PRO 9 HA PRO 9 7.437 3.254 11.714
75 HB2 PRO 9 2HB PRO 9 5.395 3.209 9.963
76 HB3 PRO 9 1HB PRO 9 5.156 3.618 11.667
77 HG2 PRO 9 2HG PRO 9 5.350 5.428 9.293
78 HG3 PRO 9 1HG PRO 9 4.262 5.525 10.690
79 HD2 PRO 9 2HD PRO 9 6.543 7.024 10.417
80 HD3 PRO 9 1HD PRO 9 5.822 6.595 11.980
81 H ARG 10 H ARG 10 9.516 3.093 10.667
82 HA ARG 10 HA ARG 10 9.625 3.487 7.802
83 HE ARG 10 HE ARG 10 13.662 2.487 10.039
84 HB2 ARG 10 2HB ARG 10 11.681 2.258 9.647
85 HB3 ARG 10 1HB ARG 10 11.941 2.736 7.972
86 HG2 ARG 10 2HG ARG 10 11.445 5.073 8.606
87 HG3 ARG 10 1HG ARG 10 11.320 4.553 10.290
88 HD2 ARG 10 2HD ARG 10 13.746 4.455 8.504
89 HD3 ARG 10 1HD ARG 10 13.513 5.440 9.948
90 HH11 ARG 10 1HH1 ARG 10 14.516 5.656 11.300
91 HH12 ARG 10 2HH1 ARG 10 15.506 4.999 12.575
92 HH21 ARG 10 1HH2 ARG 10 14.952 1.651 11.692
93 HH22 ARG 10 2HH2 ARG 10 15.738 2.723 12.810
94 H GLN 11 H GLN 11 8.808 0.996 9.968
95 HA GLN 11 HA GLN 11 8.311 -0.817 7.787
96 HB2 GLN 11 2HB GLN 11 9.547 -2.699 8.772
97 HB3 GLN 11 1HB GLN 11 10.621 -1.389 8.300
98 HG2 GLN 11 2HG GLN 11 10.753 -0.654 10.619
99 HG3 GLN 11 1HG GLN 11 9.669 -1.959 11.098
100 HE21 GLN 11 1HE2 GLN 11 11.130 -2.938 12.441
101 HE22 GLN 11 2HE2 GLN 11 12.555 -3.745 11.868
102 H VAL 12 H VAL 12 6.673 -2.205 8.191
103 HA VAL 12 HA VAL 12 5.569 -2.198 10.921
104 HB VAL 12 HB VAL 12 3.303 -2.374 9.924
105 HG11 VAL 12 1HG1 VAL 12 4.192 -0.228 10.716
106 HG12 VAL 12 2HG1 VAL 12 3.074 -0.027 9.366
107 HG13 VAL 12 3HG1 VAL 12 4.813 0.099 9.099
108 HG21 VAL 12 3HG2 VAL 12 2.954 -1.797 7.580
109 HG22 VAL 12 1HG2 VAL 12 3.947 -3.246 7.726
110 HG23 VAL 12 2HG2 VAL 12 4.697 -1.699 7.334
111 H THR 13 H THR 13 4.218 -4.061 11.426
112 HA THR 13 HA THR 13 5.384 -6.480 10.252
113 HB THR 13 HB THR 13 3.823 -6.209 12.827
114 HG1 THR 13 HG1 THR 13 6.601 -6.581 12.842
115 HG21 THR 13 3HG2 THR 13 5.662 -8.387 11.823
116 HG22 THR 13 1HG2 THR 13 3.903 -8.485 11.906
117 HG23 THR 13 2HG2 THR 13 4.851 -8.357 13.388
118 H LEU 14 H LEU 14 4.192 -7.824 9.065
119 HA LEU 14 HA LEU 14 1.377 -7.271 8.633
120 HG LEU 14 HG LEU 14 2.796 -8.221 5.296
121 HB2 LEU 14 2HB LEU 14 3.226 -9.364 7.470
122 HB3 LEU 14 1HB LEU 14 1.538 -9.213 7.038
123 HD11 LEU 14 1HD1 LEU 14 1.740 -6.005 7.033
124 HD12 LEU 14 2HD1 LEU 14 0.794 -7.000 5.925
125 HD13 LEU 14 3HD1 LEU 14 2.038 -5.920 5.297
126 HD21 LEU 14 3HD2 LEU 14 4.895 -7.923 6.492
127 HD22 LEU 14 1HD2 LEU 14 4.205 -6.560 7.373
128 HD23 LEU 14 2HD2 LEU 14 4.428 -6.461 5.627
129 HA PRO 15 HA PRO 15 -0.143 -10.495 11.356
130 HB2 PRO 15 2HB PRO 15 -2.334 -11.325 9.952
131 HB3 PRO 15 1HB PRO 15 -2.308 -9.835 10.902
132 HG2 PRO 15 2HG PRO 15 -1.968 -10.214 7.955
133 HG3 PRO 15 1HG PRO 15 -2.869 -8.960 8.828
134 HD2 PRO 15 2HD PRO 15 -0.413 -8.522 7.774
135 HD3 PRO 15 1HD PRO 15 -0.979 -7.714 9.248
136 H ASP 16 H ASP 16 0.727 -10.864 8.097
137 HA ASP 16 HA ASP 16 0.657 -13.703 7.873
138 HB2 ASP 16 2HB ASP 16 2.402 -11.752 6.349
139 HB3 ASP 16 1HB ASP 16 1.927 -13.367 5.844
140 H GLY 17 H GLY 17 2.668 -11.516 9.534
141 HA2 GLY 17 2HA GLY 17 4.460 -12.101 10.947
142 HA3 GLY 17 1HA GLY 17 4.639 -13.610 10.062
143 H THR 18 H THR 18 4.252 -11.199 7.876
144 HA THR 18 HA THR 18 7.048 -11.252 7.126
145 HB THR 18 HB THR 18 4.873 -9.734 5.693
146 HG1 THR 18 HG1 THR 18 5.324 -12.556 5.735
147 HG21 THR 18 3HG2 THR 18 6.141 -10.420 3.697
148 HG22 THR 18 1HG2 THR 18 7.299 -11.262 4.729
149 HG23 THR 18 2HG2 THR 18 7.143 -9.507 4.826
150 H VAL 19 H VAL 19 8.086 -9.170 6.412
151 HA VAL 19 HA VAL 19 7.323 -6.921 8.154
152 HB VAL 19 HB VAL 19 10.059 -7.565 7.029
153 HG11 VAL 19 1HG1 VAL 19 10.844 -5.719 8.454
154 HG12 VAL 19 2HG1 VAL 19 9.172 -5.349 8.875
155 HG13 VAL 19 3HG1 VAL 19 9.726 -5.164 7.210
156 HG21 VAL 19 3HG2 VAL 19 10.683 -7.974 9.373
157 HG22 VAL 19 1HG2 VAL 19 9.445 -9.095 8.808
158 HG23 VAL 19 2HG2 VAL 19 8.998 -7.742 9.846
159 H LEU 20 H LEU 20 6.750 -5.076 7.204
160 HA LEU 20 HA LEU 20 7.340 -4.726 4.338
161 HG LEU 20 HG LEU 20 5.252 -2.229 4.303
162 HB2 LEU 20 2HB LEU 20 5.010 -5.223 4.541
163 HB3 LEU 20 1HB LEU 20 4.818 -4.103 5.873
164 HD11 LEU 20 1HD1 LEU 20 6.542 -3.413 2.615
165 HD12 LEU 20 2HD1 LEU 20 5.115 -2.670 1.893
166 HD13 LEU 20 3HD1 LEU 20 5.141 -4.404 2.214
167 HD21 LEU 20 3HD2 LEU 20 2.985 -2.910 4.880
168 HD22 LEU 20 1HD2 LEU 20 2.990 -4.072 3.555
169 HD23 LEU 20 2HD2 LEU 20 3.075 -2.343 3.213
170 H SER 21 H SER 21 8.912 -3.230 4.288
171 HA SER 21 HA SER 21 8.683 -0.927 6.081
172 HG SER 21 HG SER 21 10.900 -2.696 3.813
173 HB2 SER 21 2HB SER 21 11.011 -0.488 5.608
174 HB3 SER 21 1HB SER 21 10.835 -2.188 6.031
175 H ARG 22 H ARG 22 9.587 1.173 4.986
176 HA ARG 22 HA ARG 22 7.744 1.795 2.897
177 HE ARG 22 HE ARG 22 9.011 6.288 3.830
178 HB2 ARG 22 2HB ARG 22 9.989 3.387 4.137
179 HB3 ARG 22 1HB ARG 22 8.899 4.032 2.918
180 HG2 ARG 22 2HG ARG 22 6.998 3.652 4.392
181 HG3 ARG 22 1HG ARG 22 8.073 2.968 5.610
182 HD2 ARG 22 2HD ARG 22 7.484 5.291 6.114
183 HD3 ARG 22 1HD ARG 22 9.214 5.101 5.836
184 HH11 ARG 22 1HH1 ARG 22 5.893 5.905 5.390
185 HH12 ARG 22 2HH1 ARG 22 5.142 7.185 4.482
186 HH21 ARG 22 1HH2 ARG 22 8.030 7.990 2.660
187 HH22 ARG 22 2HH2 ARG 22 6.344 8.363 2.936
188 H ALA 23 H ALA 23 10.788 0.393 2.893
189 HA ALA 23 HA ALA 23 11.391 1.241 0.162
190 HB1 ALA 23 3HB ALA 23 13.487 0.016 0.446
191 HB2 ALA 23 1HB ALA 23 12.945 -0.555 2.023
192 HB3 ALA 23 2HB ALA 23 13.239 1.163 1.762
193 H ASP 24 H ASP 24 9.565 -1.075 1.700
194 HA ASP 24 HA ASP 24 10.060 -3.199 -0.236
195 HB2 ASP 24 2HB ASP 24 8.351 -3.012 2.231
196 HB3 ASP 24 1HB ASP 24 8.145 -4.327 1.082
197 H LEU 25 H LEU 25 7.987 -0.540 0.222
198 HA LEU 25 HA LEU 25 5.617 -1.288 -0.985
199 HG LEU 25 HG LEU 25 6.057 0.587 1.154
200 HB2 LEU 25 2HB LEU 25 7.121 1.315 -1.014
201 HB3 LEU 25 1HB LEU 25 5.550 1.144 -1.769
202 HD11 LEU 25 1HD1 LEU 25 5.007 3.080 -0.178
203 HD12 LEU 25 2HD1 LEU 25 6.533 2.919 0.691
204 HD13 LEU 25 3HD1 LEU 25 5.005 2.769 1.556
205 HD21 LEU 25 3HD2 LEU 25 3.620 0.760 1.315
206 HD22 LEU 25 1HD2 LEU 25 4.103 -0.533 0.218
207 HD23 LEU 25 2HD2 LEU 25 3.521 0.999 -0.429
208 HA PRO 26 HA PRO 26 6.575 -2.402 -5.141
209 HB2 PRO 26 2HB PRO 26 4.248 -1.433 -6.326
210 HB3 PRO 26 1HB PRO 26 4.409 -3.016 -5.564
211 HG2 PRO 26 2HG PRO 26 3.273 -0.489 -4.462
212 HG3 PRO 26 1HG PRO 26 2.723 -2.161 -4.248
213 HD2 PRO 26 2HD PRO 26 4.071 -0.875 -2.323
214 HD3 PRO 26 1HD PRO 26 4.320 -2.609 -2.626
215 HA PRO 27 HA PRO 27 8.553 1.232 -6.601
216 HB2 PRO 27 2HB PRO 27 8.924 0.465 -9.224
217 HB3 PRO 27 1HB PRO 27 9.962 -0.019 -7.879
218 HG2 PRO 27 2HG PRO 27 7.733 -1.515 -9.194
219 HG3 PRO 27 1HG PRO 27 9.301 -2.110 -8.615
220 HD2 PRO 27 2HD PRO 27 7.043 -2.503 -7.216
221 HD3 PRO 27 1HD PRO 27 8.598 -2.198 -6.411
222 H LEU 28 H LEU 28 8.154 3.102 -7.734
223 HA LEU 28 HA LEU 28 5.492 3.664 -8.524
224 HG LEU 28 HG LEU 28 7.872 5.001 -6.758
225 HB2 LEU 28 2HB LEU 28 7.991 5.232 -9.187
226 HB3 LEU 28 1HB LEU 28 6.344 5.832 -9.226
227 HD11 LEU 28 1HD1 LEU 28 8.625 7.116 -7.704
228 HD12 LEU 28 2HD1 LEU 28 7.755 7.376 -6.192
229 HD13 LEU 28 3HD1 LEU 28 6.962 7.705 -7.732
230 HD21 LEU 28 3HD2 LEU 28 5.943 5.854 -5.519
231 HD22 LEU 28 1HD2 LEU 28 5.503 4.484 -6.539
232 HD23 LEU 28 2HD2 LEU 28 5.088 6.125 -7.039
233 H ASP 29 H ASP 29 8.140 2.282 -10.117
234 HA ASP 29 HA ASP 29 7.541 2.808 -12.813
235 HB2 ASP 29 2HB ASP 29 9.672 1.884 -12.247
236 HB3 ASP 29 1HB ASP 29 8.931 0.517 -11.428
237 H THR 30 H THR 30 6.128 0.681 -10.477
238 HA THR 30 HA THR 30 4.957 -1.193 -12.227
239 HB THR 30 HB THR 30 4.185 -0.341 -9.435
240 HG1 THR 30 HG1 THR 30 6.135 -1.903 -10.431
241 HG21 THR 30 3HG2 THR 30 2.241 -1.293 -10.535
242 HG22 THR 30 1HG2 THR 30 2.876 -2.422 -9.339
243 HG23 THR 30 2HG2 THR 30 3.189 -2.685 -11.055
244 H ARG 31 H ARG 31 3.495 -0.858 -13.700
245 HA ARG 31 HA ARG 31 1.301 1.010 -13.097
246 HE ARG 31 HE ARG 31 -1.308 3.367 -15.462
247 HB2 ARG 31 2HB ARG 31 2.808 1.426 -15.154
248 HB3 ARG 31 1HB ARG 31 2.012 0.023 -15.854
249 HG2 ARG 31 2HG ARG 31 0.942 2.030 -16.614
250 HG3 ARG 31 1HG ARG 31 -0.156 1.132 -15.564
251 HD2 ARG 31 2HD ARG 31 0.430 2.603 -13.697
252 HD3 ARG 31 1HD ARG 31 1.533 3.490 -14.745
253 HH11 ARG 31 1HH1 ARG 31 1.463 5.194 -14.355
254 HH12 ARG 31 2HH1 ARG 31 0.711 6.744 -14.610
255 HH21 ARG 31 1HH2 ARG 31 -2.315 5.411 -15.795
256 HH22 ARG 31 2HH2 ARG 31 -1.440 6.868 -15.415
257 H ARG 32 H ARG 32 2.236 -2.150 -14.353
258 HA ARG 32 HA ARG 32 -0.421 -3.189 -14.503
259 HE ARG 32 HE ARG 32 0.480 -6.671 -16.069
260 HB2 ARG 32 2HB ARG 32 2.234 -4.619 -14.240
261 HB3 ARG 32 1HB ARG 32 0.696 -5.419 -14.534
262 HG2 ARG 32 2HG ARG 32 0.487 -4.166 -16.647
263 HG3 ARG 32 1HG ARG 32 2.081 -3.464 -16.356
264 HD2 ARG 32 2HD ARG 32 2.250 -5.364 -17.867
265 HD3 ARG 32 1HD ARG 32 3.057 -5.714 -16.339
266 HH11 ARG 32 1HH1 ARG 32 3.228 -7.289 -18.168
267 HH12 ARG 32 2HH1 ARG 32 2.795 -8.948 -18.444
268 HH21 ARG 32 1HH2 ARG 32 -0.082 -8.841 -16.432
269 HH22 ARG 32 2HH2 ARG 32 0.903 -9.834 -17.471
270 H TRP 33 H TRP 33 -1.265 -2.429 -12.522
271 HA TRP 33 HA TRP 33 -0.219 -3.314 -10.029
272 HD1 TRP 33 HD1 TRP 33 -1.738 0.366 -11.413
273 HE1 TRP 33 HE1 TRP 33 -0.214 2.017 -10.145
274 HE3 TRP 33 HE3 TRP 33 -0.513 -2.573 -7.405
275 HZ2 TRP 33 HZ2 TRP 33 1.289 2.058 -7.764
276 HZ3 TRP 33 HZ3 TRP 33 0.976 -1.647 -5.677
277 HH2 TRP 33 HH2 TRP 33 1.857 0.618 -5.858
278 HB2 TRP 33 2HB TRP 33 -2.763 -1.964 -10.862
279 HB3 TRP 33 1HB TRP 33 -2.550 -2.544 -9.212
280 H VAL 34 H VAL 34 -0.030 -5.520 -10.065
281 HA VAL 34 HA VAL 34 -2.360 -7.179 -10.419
282 HB VAL 34 HB VAL 34 -0.922 -9.057 -9.830
283 HG11 VAL 34 1HG1 VAL 34 0.440 -7.133 -11.713
284 HG12 VAL 34 2HG1 VAL 34 -0.874 -8.235 -12.126
285 HG13 VAL 34 3HG1 VAL 34 0.698 -8.877 -11.652
286 HG21 VAL 34 3HG2 VAL 34 1.186 -6.976 -9.262
287 HG22 VAL 34 1HG2 VAL 34 1.457 -8.718 -9.320
288 HG23 VAL 34 2HG2 VAL 34 0.410 -8.030 -8.079
289 H ALA 35 H ALA 35 -2.735 -8.871 -8.593
290 HA ALA 35 HA ALA 35 -4.062 -7.492 -6.579
291 HB1 ALA 35 3HB ALA 35 -4.515 -9.659 -5.594
292 HB2 ALA 35 1HB ALA 35 -3.234 -10.387 -6.564
293 HB3 ALA 35 2HB ALA 35 -4.671 -9.731 -7.348
294 H SER 36 H SER 36 -1.048 -9.396 -6.276
295 HA SER 36 HA SER 36 -0.822 -9.005 -3.494
296 HG SER 36 HG SER 36 0.595 -11.649 -5.412
297 HB2 SER 36 2HB SER 36 1.341 -9.681 -5.494
298 HB3 SER 36 1HB SER 36 1.462 -9.874 -3.745
299 H ARG 37 H ARG 37 0.348 -7.070 -6.195
300 HA ARG 37 HA ARG 37 2.085 -5.436 -4.624
301 HE ARG 37 HE ARG 37 4.292 -7.051 -8.787
302 HB2 ARG 37 2HB ARG 37 0.800 -4.912 -7.310
303 HB3 ARG 37 1HB ARG 37 2.026 -3.888 -6.572
304 HG2 ARG 37 2HG ARG 37 3.595 -5.767 -6.584
305 HG3 ARG 37 1HG ARG 37 2.368 -6.772 -7.354
306 HD2 ARG 37 2HD ARG 37 2.324 -5.172 -9.252
307 HD3 ARG 37 1HD ARG 37 3.653 -4.296 -8.488
308 HH11 ARG 37 1HH1 ARG 37 4.070 -4.052 -10.582
309 HH12 ARG 37 2HH1 ARG 37 5.193 -4.546 -11.809
310 HH21 ARG 37 1HH2 ARG 37 5.777 -7.698 -10.379
311 HH22 ARG 37 2HH2 ARG 37 6.163 -6.631 -11.699
312 H LYS 38 H LYS 38 -1.262 -5.152 -5.703
313 HA LYS 38 HA LYS 38 -1.824 -2.659 -4.517
314 HB2 LYS 38 2HB LYS 38 -3.659 -5.016 -5.003
315 HB3 LYS 38 1HB LYS 38 -4.204 -3.414 -4.526
316 HG2 LYS 38 2HG LYS 38 -3.176 -2.518 -6.611
317 HG3 LYS 38 1HG LYS 38 -2.841 -4.183 -7.095
318 HD2 LYS 38 2HD LYS 38 -5.219 -4.702 -7.029
319 HD3 LYS 38 1HD LYS 38 -5.579 -3.065 -6.476
320 HE2 LYS 38 2HE LYS 38 -4.605 -2.193 -8.582
321 HE3 LYS 38 1HE LYS 38 -4.388 -3.853 -9.133
322 HZ1 LYS 38 3HZ LYS 38 -6.406 -2.943 -10.048
323 HZ2 LYS 38 1HZ LYS 38 -6.978 -2.530 -8.507
324 HZ3 LYS 38 2HZ LYS 38 -6.809 -4.157 -8.936
325 H ALA 39 H ALA 39 -1.987 -5.963 -3.295
326 HA ALA 39 HA ALA 39 -3.136 -5.427 -0.796
327 HB1 ALA 39 3HB ALA 39 -2.953 -7.680 -1.769
328 HB2 ALA 39 1HB ALA 39 -2.323 -7.608 -0.124
329 HB3 ALA 39 2HB ALA 39 -1.213 -7.641 -1.491
330 H ALA 40 H ALA 40 0.241 -5.433 -1.841
331 HA ALA 40 HA ALA 40 1.418 -5.092 0.687
332 HB1 ALA 40 3HB ALA 40 2.388 -4.110 -1.997
333 HB2 ALA 40 1HB ALA 40 2.713 -5.689 -1.283
334 HB3 ALA 40 2HB ALA 40 3.364 -4.232 -0.533
335 H VAL 41 H VAL 41 0.217 -2.731 -1.663
336 HA VAL 41 HA VAL 41 1.065 -0.423 -0.281
337 HB VAL 41 HB VAL 41 -1.273 -0.706 -2.174
338 HG11 VAL 41 1HG1 VAL 41 -0.982 1.688 -2.570
339 HG12 VAL 41 2HG1 VAL 41 0.279 1.738 -1.340
340 HG13 VAL 41 3HG1 VAL 41 -1.380 1.353 -0.884
341 HG21 VAL 41 3HG2 VAL 41 0.275 0.064 -3.902
342 HG22 VAL 41 1HG2 VAL 41 0.804 -1.461 -3.193
343 HG23 VAL 41 2HG2 VAL 41 1.592 0.047 -2.729
344 H VAL 42 H VAL 42 -2.048 -2.154 -0.295
345 HA VAL 42 HA VAL 42 -3.306 -0.286 1.427
346 HB VAL 42 HB VAL 42 -4.610 -1.727 -0.065
347 HG11 VAL 42 1HG1 VAL 42 -3.348 -3.783 0.093
348 HG12 VAL 42 2HG1 VAL 42 -5.037 -4.066 0.511
349 HG13 VAL 42 3HG1 VAL 42 -3.819 -3.968 1.783
350 HG21 VAL 42 3HG2 VAL 42 -5.248 -2.079 2.854
351 HG22 VAL 42 1HG2 VAL 42 -6.381 -2.320 1.523
352 HG23 VAL 42 2HG2 VAL 42 -5.707 -0.719 1.828
353 H LYS 43 H LYS 43 -1.608 -3.351 2.022
354 HA LYS 43 HA LYS 43 -2.234 -3.516 4.771
355 HB2 LYS 43 2HB LYS 43 0.098 -4.604 3.190
356 HB3 LYS 43 1HB LYS 43 -0.101 -4.903 4.911
357 HG2 LYS 43 2HG LYS 43 -2.288 -5.955 4.444
358 HG3 LYS 43 1HG LYS 43 -1.995 -5.729 2.717
359 HD2 LYS 43 2HD LYS 43 -0.001 -7.132 2.859
360 HD3 LYS 43 1HD LYS 43 -0.252 -7.332 4.596
361 HE2 LYS 43 2HE LYS 43 -2.427 -8.403 4.118
362 HE3 LYS 43 1HE LYS 43 -2.094 -8.268 2.394
363 HZ1 LYS 43 3HZ LYS 43 -1.555 -10.462 3.137
364 HZ2 LYS 43 1HZ LYS 43 -0.561 -9.878 4.381
365 HZ3 LYS 43 2HZ LYS 43 -0.106 -9.668 2.760
366 H ALA 44 H ALA 44 0.155 -1.699 2.995
367 HA ALA 44 HA ALA 44 1.797 -0.921 5.143
368 HB1 ALA 44 3HB ALA 44 2.472 -0.636 2.827
369 HB2 ALA 44 1HB ALA 44 2.519 0.908 3.678
370 HB3 ALA 44 2HB ALA 44 1.187 0.544 2.579
371 H VAL 45 H VAL 45 -1.088 0.576 3.714
372 HA VAL 45 HA VAL 45 -1.069 2.830 5.472
373 HB VAL 45 HB VAL 45 -3.337 1.726 3.805
374 HG11 VAL 45 1HG1 VAL 45 -4.145 3.191 5.570
375 HG12 VAL 45 2HG1 VAL 45 -4.298 3.972 3.996
376 HG13 VAL 45 3HG1 VAL 45 -2.991 4.435 5.085
377 HG21 VAL 45 3HG2 VAL 45 -1.406 2.302 2.447
378 HG22 VAL 45 1HG2 VAL 45 -1.328 3.893 3.204
379 HG23 VAL 45 2HG2 VAL 45 -2.708 3.466 2.193
380 H ILE 46 H ILE 46 -2.699 -0.287 5.444
381 HA ILE 46 HA ILE 46 -4.504 0.150 7.539
382 HB ILE 46 HB ILE 46 -3.226 -2.363 6.483
383 HG12 ILE 46 2HG1 ILE 46 -6.033 -1.257 6.276
384 HG13 ILE 46 1HG1 ILE 46 -4.800 -1.125 5.029
385 HG21 ILE 46 1HG2 ILE 46 -3.766 -2.792 8.805
386 HG22 ILE 46 2HG2 ILE 46 -4.899 -3.637 7.750
387 HG23 ILE 46 3HG2 ILE 46 -5.393 -2.154 8.566
388 HD11 ILE 46 3HD1 ILE 46 -6.363 -2.882 4.494
389 HD12 ILE 46 1HD1 ILE 46 -6.045 -3.671 6.041
390 HD13 ILE 46 2HD1 ILE 46 -4.770 -3.568 4.828
391 H HIS 47 H HIS 47 -1.119 -0.900 7.600
392 HA HIS 47 HA HIS 47 -1.228 -1.290 10.477
393 HD1 HIS 47 HD1 HIS 47 -0.745 -3.606 11.163
394 HD2 HIS 47 HD2 HIS 47 0.707 -3.913 7.273
395 HE1 HIS 47 HE1 HIS 47 -1.341 -5.930 10.392
396 HE2 HIS 47 HE2 HIS 47 -0.246 -6.155 8.138
397 HB2 HIS 47 2HB HIS 47 1.037 -1.541 8.500
398 HB3 HIS 47 1HB HIS 47 1.231 -1.774 10.235
399 H GLY 48 H GLY 48 -0.532 1.259 8.317
400 HA2 GLY 48 2HA GLY 48 -0.333 3.496 9.049
401 HA3 GLY 48 1HA GLY 48 0.234 2.909 10.603
402 H LEU 49 H LEU 49 1.584 1.596 7.706
403 HA LEU 49 HA LEU 49 4.220 2.572 8.288
404 HG LEU 49 HG LEU 49 5.293 2.363 5.437
405 HB2 LEU 49 2HB LEU 49 3.846 0.397 7.205
406 HB3 LEU 49 1HB LEU 49 3.082 1.197 5.843
407 HD11 LEU 49 1HD1 LEU 49 7.279 1.291 6.382
408 HD12 LEU 49 2HD1 LEU 49 6.243 0.281 7.392
409 HD13 LEU 49 3HD1 LEU 49 6.269 2.028 7.626
410 HD21 LEU 49 3HD2 LEU 49 5.237 -0.645 5.231
411 HD22 LEU 49 1HD2 LEU 49 6.247 0.444 4.283
412 HD23 LEU 49 2HD2 LEU 49 4.494 0.475 4.091
413 H ILE 50 H ILE 50 1.873 3.067 5.712
414 HA ILE 50 HA ILE 50 2.894 5.807 5.379
415 HB ILE 50 HB ILE 50 2.245 5.744 3.023
416 HG12 ILE 50 2HG1 ILE 50 1.761 2.782 3.328
417 HG13 ILE 50 1HG1 ILE 50 0.459 3.964 3.410
418 HG21 ILE 50 1HG2 ILE 50 3.973 4.233 2.174
419 HG22 ILE 50 2HG2 ILE 50 4.067 3.459 3.757
420 HG23 ILE 50 3HG2 ILE 50 4.533 5.151 3.573
421 HD11 ILE 50 3HD1 ILE 50 0.660 2.949 1.202
422 HD12 ILE 50 1HD1 ILE 50 2.305 3.573 1.069
423 HD13 ILE 50 2HD1 ILE 50 0.939 4.690 1.159
424 H THR 51 H THR 51 1.147 7.294 4.592
425 HA THR 51 HA THR 51 -1.361 6.529 5.855
426 HB THR 51 HB THR 51 -0.450 8.713 6.469
427 HG1 THR 51 HG1 THR 51 -2.381 9.902 6.094
428 HG21 THR 51 3HG2 THR 51 0.650 9.244 4.323
429 HG22 THR 51 1HG2 THR 51 -0.362 10.560 4.916
430 HG23 THR 51 2HG2 THR 51 -0.936 9.528 3.609
431 H GLU 52 H GLU 52 -3.395 7.113 4.719
432 HA GLU 52 HA GLU 52 -3.587 5.459 2.492
433 HB2 GLU 52 2HB GLU 52 -5.399 6.062 4.143
434 HB3 GLU 52 1HB GLU 52 -5.592 7.574 3.267
435 HG2 GLU 52 2HG GLU 52 -6.208 6.367 1.263
436 HG3 GLU 52 1HG GLU 52 -5.933 4.833 2.079
437 H ARG 53 H ARG 53 -3.650 9.018 2.675
438 HA ARG 53 HA ARG 53 -3.861 9.342 -0.142
439 HE ARG 53 HE ARG 53 -3.423 12.880 -0.805
440 HB2 ARG 53 2HB ARG 53 -3.270 11.181 2.122
441 HB3 ARG 53 1HB ARG 53 -2.918 11.710 0.479
442 HG2 ARG 53 2HG ARG 53 -5.404 10.789 0.121
443 HG3 ARG 53 1HG ARG 53 -5.506 11.270 1.818
444 HD2 ARG 53 2HD ARG 53 -6.156 13.093 0.317
445 HD3 ARG 53 1HD ARG 53 -4.721 13.492 1.256
446 HH11 ARG 53 1HH1 ARG 53 -6.784 13.832 -1.059
447 HH12 ARG 53 2HH1 ARG 53 -6.593 14.557 -2.630
448 HH21 ARG 53 1HH2 ARG 53 -3.175 13.809 -2.889
449 HH22 ARG 53 2HH2 ARG 53 -4.554 14.543 -3.658
450 H GLU 54 H GLU 54 -1.162 8.843 1.988
451 HA GLU 54 HA GLU 54 0.859 9.842 0.295
452 HB2 GLU 54 2HB GLU 54 1.368 9.341 2.606
453 HB3 GLU 54 1HB GLU 54 0.939 7.652 2.380
454 HG2 GLU 54 2HG GLU 54 2.858 7.212 1.131
455 HG3 GLU 54 1HG GLU 54 3.164 8.920 0.831
456 H ALA 55 H ALA 55 -0.793 6.749 0.518
457 HA ALA 55 HA ALA 55 0.672 5.417 -1.504
458 HB1 ALA 55 3HB ALA 55 -2.206 5.001 -0.702
459 HB2 ALA 55 1HB ALA 55 -0.811 4.273 0.091
460 HB3 ALA 55 2HB ALA 55 -1.184 3.861 -1.582
461 H LEU 56 H LEU 56 -2.315 7.315 -1.575
462 HA LEU 56 HA LEU 56 -2.918 6.992 -4.301
463 HG LEU 56 HG LEU 56 -4.360 7.292 -1.489
464 HB2 LEU 56 2HB LEU 56 -3.547 9.377 -2.559
465 HB3 LEU 56 1HB LEU 56 -4.374 8.914 -4.033
466 HD11 LEU 56 1HD1 LEU 56 -5.574 9.388 -1.219
467 HD12 LEU 56 2HD1 LEU 56 -6.675 8.012 -1.253
468 HD13 LEU 56 3HD1 LEU 56 -6.508 9.043 -2.676
469 HD21 LEU 56 3HD2 LEU 56 -4.609 5.949 -3.516
470 HD22 LEU 56 1HD2 LEU 56 -5.937 6.986 -4.042
471 HD23 LEU 56 2HD2 LEU 56 -6.108 5.999 -2.589
472 H ASP 57 H ASP 57 -1.258 9.643 -2.627
473 HA ASP 57 HA ASP 57 -0.938 11.248 -4.901
474 HB2 ASP 57 2HB ASP 57 0.384 11.261 -2.198
475 HB3 ASP 57 1HB ASP 57 0.841 12.410 -3.451
476 H ARG 58 H ARG 58 1.100 8.681 -3.609
477 HA ARG 58 HA ARG 58 3.296 9.496 -5.322
478 HE ARG 58 HE ARG 58 3.759 7.294 -1.043
479 HB2 ARG 58 2HB ARG 58 4.562 7.687 -4.378
480 HB3 ARG 58 1HB ARG 58 3.742 8.544 -3.083
481 HG2 ARG 58 2HG ARG 58 2.105 6.797 -2.891
482 HG3 ARG 58 1HG ARG 58 2.773 5.967 -4.299
483 HD2 ARG 58 2HD ARG 58 3.502 4.946 -2.183
484 HD3 ARG 58 1HD ARG 58 4.851 5.573 -3.122
485 HH11 ARG 58 1HH1 ARG 58 6.272 5.048 -2.024
486 HH12 ARG 58 2HH1 ARG 58 7.411 5.619 -0.838
487 HH21 ARG 58 1HH2 ARG 58 5.279 8.033 0.530
488 HH22 ARG 58 2HH2 ARG 58 6.856 7.300 0.593
489 H TYR 59 H TYR 59 0.606 7.335 -5.542
490 HA TYR 59 HA TYR 59 1.858 6.049 -7.880
491 HD1 TYR 59 HD2 TYR 59 2.790 3.863 -7.632
492 HD2 TYR 59 HD1 TYR 59 0.330 4.157 -4.176
493 HE1 TYR 59 HE2 TYR 59 4.434 2.553 -6.354
494 HE2 TYR 59 HE1 TYR 59 1.964 2.843 -2.892
495 HH TYR 59 HH TYR 59 4.977 1.690 -4.390
496 HB2 TYR 59 2HB TYR 59 -0.409 5.099 -6.128
497 HB3 TYR 59 1HB TYR 59 0.091 4.294 -7.607
498 H SER 60 H SER 60 -0.050 8.563 -7.257
499 HA SER 60 HA SER 60 -1.526 9.810 -8.447
500 HG SER 60 HG SER 60 0.321 10.312 -9.856
501 HB2 SER 60 2HB SER 60 -0.903 7.893 -10.709
502 HB3 SER 60 1HB SER 60 -1.675 9.470 -10.872
503 H LEU 61 H LEU 61 -2.348 7.424 -6.947
504 HA LEU 61 HA LEU 61 -4.543 6.243 -8.405
505 HG LEU 61 HG LEU 61 -2.066 4.990 -7.039
506 HB2 LEU 61 2HB LEU 61 -3.744 5.997 -5.504
507 HB3 LEU 61 1HB LEU 61 -4.988 5.048 -6.288
508 HD11 LEU 61 1HD1 LEU 61 -2.401 4.092 -4.812
509 HD12 LEU 61 2HD1 LEU 61 -2.061 2.790 -5.951
510 HD13 LEU 61 3HD1 LEU 61 -3.713 3.071 -5.399
511 HD21 LEU 61 3HD2 LEU 61 -2.688 3.004 -8.314
512 HD22 LEU 61 1HD2 LEU 61 -3.561 4.425 -8.884
513 HD23 LEU 61 2HD2 LEU 61 -4.378 3.237 -7.867
514 H SER 62 H SER 62 -6.729 6.380 -7.778
515 HA SER 62 HA SER 62 -7.461 8.952 -6.630
516 HG SER 62 HG SER 62 -7.931 7.459 -9.484
517 HB2 SER 62 2HB SER 62 -9.257 6.837 -7.840
518 HB3 SER 62 1HB SER 62 -9.667 8.521 -7.513
519 H GLU 63 H GLU 63 -9.035 9.084 -4.948
520 HA GLU 63 HA GLU 63 -8.477 7.519 -2.735
521 HB2 GLU 63 2HB GLU 63 -9.487 9.842 -2.871
522 HB3 GLU 63 1HB GLU 63 -11.023 9.054 -3.199
523 HG2 GLU 63 2HG GLU 63 -10.834 7.859 -1.067
524 HG3 GLU 63 1HG GLU 63 -9.344 8.743 -0.740
525 H GLU 64 H GLU 64 -11.130 7.354 -5.055
526 HA GLU 64 HA GLU 64 -12.594 5.314 -3.729
527 HB2 GLU 64 2HB GLU 64 -13.783 5.107 -5.913
528 HB3 GLU 64 1HB GLU 64 -13.709 6.753 -5.298
529 HG2 GLU 64 2HG GLU 64 -11.674 7.039 -6.799
530 HG3 GLU 64 1HG GLU 64 -12.179 5.532 -7.563
531 H GLU 65 H GLU 65 -9.975 5.294 -6.031
532 HA GLU 65 HA GLU 65 -10.038 2.597 -6.810
533 HB2 GLU 65 2HB GLU 65 -8.629 4.196 -7.956
534 HB3 GLU 65 1HB GLU 65 -7.739 4.536 -6.482
535 HG2 GLU 65 2HG GLU 65 -6.334 3.192 -7.782
536 HG3 GLU 65 1HG GLU 65 -6.978 2.130 -6.534
537 H PHE 66 H PHE 66 -8.074 4.169 -4.294
538 HA PHE 66 HA PHE 66 -7.071 1.778 -3.202
539 HD1 PHE 66 HD1 PHE 66 -4.347 2.479 -2.208
540 HD2 PHE 66 HD2 PHE 66 -7.541 3.501 0.413
541 HE1 PHE 66 HE1 PHE 66 -3.098 1.526 -0.315
542 HE2 PHE 66 HE2 PHE 66 -6.294 2.552 2.303
543 HZ PHE 66 HZ PHE 66 -4.073 1.569 1.940
544 HB2 PHE 66 2HB PHE 66 -6.079 4.045 -2.878
545 HB3 PHE 66 1HB PHE 66 -7.416 4.433 -1.800
546 H ALA 67 H ALA 67 -9.963 3.650 -2.553
547 HA ALA 67 HA ALA 67 -10.823 2.443 -0.200
548 HB1 ALA 67 3HB ALA 67 -13.072 3.106 -0.837
549 HB2 ALA 67 1HB ALA 67 -12.552 3.342 -2.505
550 HB3 ALA 67 2HB ALA 67 -11.925 4.388 -1.230
551 H LEU 68 H LEU 68 -11.277 1.438 -3.573
552 HA LEU 68 HA LEU 68 -12.753 -0.903 -2.986
553 HG LEU 68 HG LEU 68 -12.826 1.353 -5.186
554 HB2 LEU 68 2HB LEU 68 -11.013 -0.285 -5.378
555 HB3 LEU 68 1HB LEU 68 -12.179 -1.593 -5.280
556 HD11 LEU 68 1HD1 LEU 68 -13.329 -0.711 -7.322
557 HD12 LEU 68 2HD1 LEU 68 -12.143 0.592 -7.400
558 HD13 LEU 68 3HD1 LEU 68 -13.866 0.968 -7.352
559 HD21 LEU 68 3HD2 LEU 68 -15.152 0.656 -5.262
560 HD22 LEU 68 1HD2 LEU 68 -14.357 0.020 -3.824
561 HD23 LEU 68 2HD2 LEU 68 -14.660 -1.037 -5.203
562 H TRP 69 H TRP 69 -9.299 -0.261 -3.419
563 HA TRP 69 HA TRP 69 -8.298 -2.846 -3.345
564 HD1 TRP 69 HD1 TRP 69 -8.415 -1.012 -5.245
565 HE1 TRP 69 HE1 TRP 69 -6.937 -0.319 -7.226
566 HE3 TRP 69 HE3 TRP 69 -3.935 -0.671 -2.815
567 HZ2 TRP 69 HZ2 TRP 69 -4.215 0.274 -7.703
568 HZ3 TRP 69 HZ3 TRP 69 -1.939 -0.037 -4.106
569 HH2 TRP 69 HH2 TRP 69 -2.078 0.423 -6.501
570 HB2 TRP 69 2HB TRP 69 -7.125 -0.321 -2.166
571 HB3 TRP 69 1HB TRP 69 -6.247 -1.843 -2.267
572 H ARG 70 H ARG 70 -8.931 -0.715 -0.549
573 HA ARG 70 HA ARG 70 -8.261 -2.813 1.285
574 HE ARG 70 HE ARG 70 -9.769 0.519 4.509
575 HB2 ARG 70 2HB ARG 70 -8.887 -1.245 3.043
576 HB3 ARG 70 1HB ARG 70 -7.802 -0.508 1.878
577 HG2 ARG 70 2HG ARG 70 -9.810 0.543 0.811
578 HG3 ARG 70 1HG ARG 70 -10.758 -0.052 2.178
579 HD2 ARG 70 2HD ARG 70 -8.429 1.858 2.260
580 HD3 ARG 70 1HD ARG 70 -10.114 2.211 2.640
581 HH11 ARG 70 1HH1 ARG 70 -7.290 2.668 3.305
582 HH12 ARG 70 2HH1 ARG 70 -6.345 2.604 4.761
583 HH21 ARG 70 1HH2 ARG 70 -8.529 0.463 6.460
584 HH22 ARG 70 2HH2 ARG 70 -7.045 1.369 6.541
585 H SER 71 H SER 71 -11.177 -1.775 -0.265
586 HA SER 71 HA SER 71 -12.917 -3.180 1.543
587 HG SER 71 HG SER 71 -13.117 -0.457 -0.004
588 HB2 SER 71 2HB SER 71 -13.391 -2.215 -1.288
589 HB3 SER 71 1HB SER 71 -14.638 -2.831 -0.202
590 H ALA 72 H ALA 72 -10.839 -4.021 -1.015
591 HA ALA 72 HA ALA 72 -12.057 -6.638 -1.384
592 HB1 ALA 72 3HB ALA 72 -11.092 -5.477 -3.318
593 HB2 ALA 72 1HB ALA 72 -10.290 -7.017 -3.013
594 HB3 ALA 72 2HB ALA 72 -9.510 -5.507 -2.542
595 H VAL 73 H VAL 73 -8.793 -5.468 -0.499
596 HA VAL 73 HA VAL 73 -7.919 -8.024 0.343
597 HB VAL 73 HB VAL 73 -6.713 -5.328 0.991
598 HG11 VAL 73 1HG1 VAL 73 -5.505 -8.091 1.071
599 HG12 VAL 73 2HG1 VAL 73 -5.890 -7.082 2.465
600 HG13 VAL 73 3HG1 VAL 73 -4.633 -6.580 1.334
601 HG21 VAL 73 3HG2 VAL 73 -6.910 -5.651 -1.403
602 HG22 VAL 73 1HG2 VAL 73 -6.163 -7.244 -1.275
603 HG23 VAL 73 2HG2 VAL 73 -5.223 -5.795 -0.912
604 H ALA 74 H ALA 74 -8.885 -5.142 2.222
605 HA ALA 74 HA ALA 74 -8.414 -6.490 4.724
606 HB1 ALA 74 3HB ALA 74 -9.704 -3.816 4.189
607 HB2 ALA 74 1HB ALA 74 -7.997 -4.092 4.529
608 HB3 ALA 74 2HB ALA 74 -9.208 -4.429 5.767
609 H ALA 75 H ALA 75 -10.680 -7.028 2.564
610 HA ALA 75 HA ALA 75 -12.591 -7.818 4.648
611 HB1 ALA 75 3HB ALA 75 -13.294 -6.760 1.910
612 HB2 ALA 75 1HB ALA 75 -13.574 -5.945 3.448
613 HB3 ALA 75 2HB ALA 75 -14.443 -7.432 3.067
614 H HIS 76 H HIS 76 -10.313 -8.961 2.859
615 HA HIS 76 HA HIS 76 -11.818 -11.164 1.636
616 HD1 HIS 76 HD1 HIS 76 -7.502 -12.198 0.514
617 HD2 HIS 76 HD2 HIS 76 -11.477 -12.778 -0.557
618 HE1 HIS 76 HE1 HIS 76 -7.565 -14.396 -0.708
619 HE2 HIS 76 HE2 HIS 76 -10.016 -14.857 -1.038
620 HB2 HIS 76 2HB HIS 76 -10.247 -10.039 0.140
621 HB3 HIS 76 1HB HIS 76 -8.927 -10.339 1.268
622 H GLY 77 H GLY 77 -12.117 -12.819 2.898
623 HA2 GLY 77 2HA GLY 77 -9.916 -14.256 4.005
624 HA3 GLY 77 1HA GLY 77 -10.854 -13.455 5.259
625 H GLU 78 H GLU 78 -10.912 -15.849 2.712
626 HA GLU 78 HA GLU 78 -13.491 -16.840 3.706
627 HB2 GLU 78 2HB GLU 78 -13.615 -18.168 1.694
628 HB3 GLU 78 1HB GLU 78 -13.215 -16.520 1.245
629 HG2 GLU 78 2HG GLU 78 -11.132 -18.667 1.541
630 HG3 GLU 78 1HG GLU 78 -11.990 -18.375 0.029
631 H LYS 79 H LYS 79 -10.153 -17.385 3.867
632 HA LYS 79 HA LYS 79 -10.241 -20.224 4.227
633 HB2 LYS 79 2HB LYS 79 -8.034 -18.225 4.728
634 HB3 LYS 79 1HB LYS 79 -7.844 -19.968 4.837
635 HG2 LYS 79 2HG LYS 79 -8.399 -20.194 2.477
636 HG3 LYS 79 1HG LYS 79 -8.633 -18.448 2.360
637 HD2 LYS 79 2HD LYS 79 -6.283 -18.108 2.984
638 HD3 LYS 79 1HD LYS 79 -6.059 -19.857 3.064
639 HE2 LYS 79 2HE LYS 79 -5.255 -18.866 0.940
640 HE3 LYS 79 1HE LYS 79 -6.516 -20.074 0.710
641 HZ1 LYS 79 3HZ LYS 79 -8.100 -18.430 0.261
642 HZ2 LYS 79 1HZ LYS 79 -6.733 -17.962 -0.619
643 HZ3 LYS 79 2HZ LYS 79 -7.111 -17.176 0.833
644 H ALA 80 H ALA 80 -9.390 -17.543 6.450
645 HA ALA 80 HA ALA 80 -10.718 -18.910 8.626
646 HB1 ALA 80 3HB ALA 80 -7.738 -18.465 8.749
647 HB2 ALA 80 1HB ALA 80 -8.537 -20.028 8.584
648 HB3 ALA 80 2HB ALA 80 -8.757 -19.076 10.051
649 H LEU 81 H LEU 81 -11.468 -17.516 10.089
650 HA LEU 81 HA LEU 81 -10.444 -14.753 10.031
651 HG LEU 81 HG LEU 81 -12.269 -13.763 8.634
652 HB2 LEU 81 2HB LEU 81 -13.205 -15.798 10.659
653 HB3 LEU 81 1HB LEU 81 -12.693 -14.182 11.092
654 HD11 LEU 81 1HD1 LEU 81 -12.142 -16.092 7.896
655 HD12 LEU 81 2HD1 LEU 81 -13.419 -15.222 7.044
656 HD13 LEU 81 3HD1 LEU 81 -13.828 -16.333 8.351
657 HD21 LEU 81 3HD2 LEU 81 -15.069 -14.426 9.534
658 HD22 LEU 81 1HD2 LEU 81 -14.655 -13.424 8.143
659 HD23 LEU 81 2HD2 LEU 81 -14.226 -12.896 9.769
660 H LYS 82 H LYS 82 -8.815 -15.236 11.531
661 HA LYS 82 HA LYS 82 -9.271 -16.424 14.050
662 HB2 LYS 82 2HB LYS 82 -7.035 -16.070 12.882
663 HB3 LYS 82 1HB LYS 82 -7.130 -14.390 13.391
664 HG2 LYS 82 2HG LYS 82 -5.729 -15.594 14.915
665 HG3 LYS 82 1HG LYS 82 -7.224 -15.150 15.743
666 HD2 LYS 82 2HD LYS 82 -8.101 -17.401 15.385
667 HD3 LYS 82 1HD LYS 82 -6.624 -17.849 14.530
668 HE2 LYS 82 2HE LYS 82 -5.329 -17.447 16.566
669 HE3 LYS 82 1HE LYS 82 -6.808 -16.997 17.417
670 HZ1 LYS 82 3HZ LYS 82 -6.163 -19.293 17.866
671 HZ2 LYS 82 1HZ LYS 82 -6.261 -19.660 16.211
672 HZ3 LYS 82 2HZ LYS 82 -7.658 -19.222 17.071
673 H VAL 83 H VAL 83 -9.434 -15.384 16.134
674 HA VAL 83 HA VAL 83 -11.194 -13.226 16.299
675 HB VAL 83 HB VAL 83 -10.831 -14.835 18.127
676 HG11 VAL 83 1HG1 VAL 83 -8.428 -15.065 18.044
677 HG12 VAL 83 2HG1 VAL 83 -8.923 -14.555 19.657
678 HG13 VAL 83 3HG1 VAL 83 -8.222 -13.385 18.540
679 HG21 VAL 83 3HG2 VAL 83 -10.962 -13.249 19.993
680 HG22 VAL 83 1HG2 VAL 83 -11.939 -12.729 18.621
681 HG23 VAL 83 2HG2 VAL 83 -10.382 -11.965 18.934
682 H THR 84 H THR 84 -7.801 -13.275 15.856
683 HA THR 84 HA THR 84 -7.356 -10.519 16.598
684 HB THR 84 HB THR 84 -5.536 -12.407 15.096
685 HG1 THR 84 HG1 THR 84 -4.695 -12.856 17.245
686 HG21 THR 84 3HG2 THR 84 -3.738 -11.047 16.052
687 HG22 THR 84 1HG2 THR 84 -4.930 -10.016 16.841
688 HG23 THR 84 2HG2 THR 84 -4.828 -10.057 15.081
689 H MET 85 H MET 85 -8.741 -12.028 13.957
690 HA MET 85 HA MET 85 -7.445 -10.395 11.917
691 HB2 MET 85 2HB MET 85 -7.961 -12.911 11.684
692 HB3 MET 85 1HB MET 85 -9.624 -12.405 11.422
693 HG2 MET 85 2HG MET 85 -8.484 -12.765 9.316
694 HG3 MET 85 1HG MET 85 -8.940 -11.073 9.508
695 HE1 MET 85 3HE MET 85 -4.641 -12.658 10.074
696 HE2 MET 85 1HE MET 85 -5.966 -13.657 9.476
697 HE3 MET 85 2HE MET 85 -5.988 -13.069 11.137
698 H ILE 86 H ILE 86 -10.457 -10.568 13.656
699 HA ILE 86 HA ILE 86 -12.158 -9.298 11.830
700 HB ILE 86 HB ILE 86 -12.261 -9.223 14.851
701 HG12 ILE 86 2HG1 ILE 86 -14.311 -10.778 14.189
702 HG13 ILE 86 1HG1 ILE 86 -13.325 -11.067 12.761
703 HG21 ILE 86 1HG2 ILE 86 -14.598 -8.538 14.603
704 HG22 ILE 86 2HG2 ILE 86 -14.378 -8.429 12.858
705 HG23 ILE 86 3HG2 ILE 86 -13.495 -7.339 13.926
706 HD11 ILE 86 3HD1 ILE 86 -11.530 -11.913 14.108
707 HD12 ILE 86 1HD1 ILE 86 -13.023 -12.746 14.534
708 HD13 ILE 86 2HD1 ILE 86 -12.390 -11.482 15.587
709 H GLN 87 H GLN 87 -9.942 -7.952 14.219
710 HA GLN 87 HA GLN 87 -10.491 -5.269 14.119
711 HB2 GLN 87 2HB GLN 87 -8.788 -6.027 15.574
712 HB3 GLN 87 1HB GLN 87 -7.880 -6.760 14.262
713 HG2 GLN 87 2HG GLN 87 -7.372 -4.515 13.390
714 HG3 GLN 87 1HG GLN 87 -8.226 -3.813 14.763
715 HE21 GLN 87 1HE2 GLN 87 -7.264 -3.792 16.766
716 HE22 GLN 87 2HE2 GLN 87 -5.608 -4.250 17.021
717 H LYS 88 H LYS 88 -8.660 -7.165 11.754
718 HA LYS 88 HA LYS 88 -7.814 -4.935 10.206
719 HB2 LYS 88 2HB LYS 88 -7.903 -7.899 9.628
720 HB3 LYS 88 1HB LYS 88 -7.309 -6.727 8.462
721 HG2 LYS 88 2HG LYS 88 -5.453 -7.725 9.616
722 HG3 LYS 88 1HG LYS 88 -5.583 -6.029 10.077
723 HD2 LYS 88 2HD LYS 88 -6.664 -6.664 12.165
724 HD3 LYS 88 1HD LYS 88 -6.596 -8.364 11.698
725 HE2 LYS 88 2HE LYS 88 -4.190 -8.339 11.760
726 HE3 LYS 88 1HE LYS 88 -4.178 -6.597 12.049
727 HZ1 LYS 88 3HZ LYS 88 -3.830 -7.979 14.071
728 HZ2 LYS 88 1HZ LYS 88 -5.414 -8.562 13.896
729 HZ3 LYS 88 2HZ LYS 88 -5.141 -6.913 14.181
730 H TYR 89 H TYR 89 -10.621 -6.984 10.209
731 HA TYR 89 HA TYR 89 -11.565 -6.107 7.631
732 HD1 TYR 89 HD2 TYR 89 -11.376 -7.981 6.497
733 HD2 TYR 89 HD1 TYR 89 -12.565 -9.842 10.127
734 HE1 TYR 89 HE2 TYR 89 -10.309 -10.066 5.765
735 HE2 TYR 89 HE1 TYR 89 -11.496 -11.940 9.406
736 HH TYR 89 HH TYR 89 -9.399 -12.095 6.717
737 HB2 TYR 89 2HB TYR 89 -13.004 -7.594 9.833
738 HB3 TYR 89 1HB TYR 89 -13.612 -7.360 8.202
739 H ARG 90 H ARG 90 -11.661 -4.910 10.826
740 HA ARG 90 HA ARG 90 -14.134 -3.434 10.422
741 HE ARG 90 HE ARG 90 -16.240 -5.735 13.876
742 HB2 ARG 90 2HB ARG 90 -12.259 -3.608 12.777
743 HB3 ARG 90 1HB ARG 90 -13.681 -2.577 12.744
744 HG2 ARG 90 2HG ARG 90 -13.641 -5.578 12.538
745 HG3 ARG 90 1HG ARG 90 -14.161 -4.619 13.925
746 HD2 ARG 90 2HD ARG 90 -15.893 -3.587 12.405
747 HD3 ARG 90 1HD ARG 90 -15.463 -4.816 11.215
748 HH11 ARG 90 1HH1 ARG 90 -17.076 -5.313 10.491
749 HH12 ARG 90 2HH1 ARG 90 -18.499 -6.306 10.591
750 HH21 ARG 90 1HH2 ARG 90 -18.095 -7.058 13.997
751 HH22 ARG 90 2HH2 ARG 90 -19.060 -7.329 12.575
752 H GLN 91 H GLN 91 -10.692 -2.869 10.415
753 HA GLN 91 HA GLN 91 -11.033 0.013 10.427
754 HB2 GLN 91 2HB GLN 91 -8.544 0.029 10.144
755 HB3 GLN 91 1HB GLN 91 -9.119 -0.791 11.589
756 HG2 GLN 91 2HG GLN 91 -8.792 -2.945 10.525
757 HG3 GLN 91 1HG GLN 91 -8.277 -2.149 9.040
758 HE21 GLN 91 1HE2 GLN 91 -6.752 -0.091 10.360
759 HE22 GLN 91 2HE2 GLN 91 -5.323 -0.854 10.963
760 H LEU 92 H LEU 92 -11.949 -1.868 8.145
761 HA LEU 92 HA LEU 92 -10.379 -1.020 5.906
762 HG LEU 92 HG LEU 92 -13.920 -1.206 4.979
763 HB2 LEU 92 2HB LEU 92 -11.748 -2.325 4.594
764 HB3 LEU 92 1HB LEU 92 -11.894 -3.118 6.148
765 HD11 LEU 92 1HD1 LEU 92 -13.974 -4.206 5.243
766 HD12 LEU 92 2HD1 LEU 92 -13.824 -3.293 3.740
767 HD13 LEU 92 3HD1 LEU 92 -15.308 -3.195 4.688
768 HD21 LEU 92 3HD2 LEU 92 -15.369 -1.940 6.790
769 HD22 LEU 92 1HD2 LEU 92 -13.909 -1.180 7.423
770 HD23 LEU 92 2HD2 LEU 92 -14.068 -2.937 7.442
771 H HIS 93 H HIS 93 -12.668 0.552 7.783
772 HA HIS 93 HA HIS 93 -14.449 1.914 7.400
773 HD1 HIS 93 HD1 HIS 93 -10.431 3.725 7.809
774 HD2 HIS 93 HD2 HIS 93 -12.118 3.836 4.008
775 HE1 HIS 93 HE1 HIS 93 -8.547 4.298 6.249
776 HE2 HIS 93 HE2 HIS 93 -9.613 4.521 3.974
777 HB2 HIS 93 2HB HIS 93 -13.721 4.155 6.500
778 HB3 HIS 93 1HB HIS 93 -12.867 3.541 7.900
779 H HIS 94 H HIS 94 -15.859 0.890 6.215
780 HA HIS 94 HA HIS 94 -16.384 1.835 3.555
781 HD1 HIS 94 HD1 HIS 94 -17.663 -2.239 3.345
782 HD2 HIS 94 HD2 HIS 94 -16.179 0.345 0.436
783 HE1 HIS 94 HE1 HIS 94 -18.850 -2.853 1.215
784 HE2 HIS 94 HE2 HIS 94 -17.793 -1.412 -0.562
785 HB2 HIS 94 2HB HIS 94 -14.815 0.161 2.878
786 HB3 HIS 94 1HB HIS 94 -15.467 -1.007 4.016
787 H HIS 95 H HIS 95 -17.076 -0.144 6.308
788 HA HIS 95 HA HIS 95 -18.939 -1.071 7.190
789 HD1 HIS 95 HD1 HIS 95 -22.714 -0.613 5.533
790 HD2 HIS 95 HD2 HIS 95 -20.960 0.328 9.182
791 HE1 HIS 95 HE1 HIS 95 -24.462 -1.106 7.271
792 HE2 HIS 95 HE2 HIS 95 -23.449 -0.333 9.446
793 HB2 HIS 95 2HB HIS 95 -19.808 1.297 6.763
794 HB3 HIS 95 1HB HIS 95 -20.543 0.662 5.298
Start of MODEL 8
1 HA MET 1 HA MET 1 14.581 9.354 14.276
2 H1 MET 1 1H MET 1 16.818 8.640 14.858
3 H2 MET 1 2H MET 1 17.466 9.830 13.837
4 H3 MET 1 3H MET 1 16.537 8.572 13.185
5 HB2 MET 1 2HB MET 1 15.790 10.279 16.260
6 HB3 MET 1 1HB MET 1 16.321 11.626 15.265
7 HG2 MET 1 2HG MET 1 14.020 12.323 14.941
8 HG3 MET 1 1HG MET 1 13.457 10.942 15.881
9 HE1 MET 1 3HE MET 1 12.717 13.980 18.250
10 HE2 MET 1 1HE MET 1 12.036 12.564 17.451
11 HE3 MET 1 2HE MET 1 12.583 13.941 16.492
12 H TYR 2 H TYR 2 13.241 10.493 12.940
13 HA TYR 2 HA TYR 2 14.544 11.701 10.634
14 HD1 TYR 2 HD2 TYR 2 14.154 10.618 8.352
15 HD2 TYR 2 HD1 TYR 2 11.840 8.488 11.213
16 HE1 TYR 2 HE2 TYR 2 14.854 8.498 7.331
17 HE2 TYR 2 HE1 TYR 2 12.542 6.358 10.201
18 HH TYR 2 HH TYR 2 15.114 6.077 8.151
19 HB2 TYR 2 2HB TYR 2 11.707 10.818 11.145
20 HB3 TYR 2 1HB TYR 2 12.196 11.668 9.682
21 H LEU 3 H LEU 3 15.137 13.718 11.098
22 HA LEU 3 HA LEU 3 14.982 15.961 11.259
23 HG LEU 3 HG LEU 3 13.855 14.602 8.783
24 HB2 LEU 3 2HB LEU 3 12.134 15.445 10.403
25 HB3 LEU 3 1HB LEU 3 12.937 17.003 10.365
26 HD11 LEU 3 1HD1 LEU 3 11.640 15.325 8.048
27 HD12 LEU 3 2HD1 LEU 3 12.873 15.707 6.845
28 HD13 LEU 3 3HD1 LEU 3 12.231 16.979 7.884
29 HD21 LEU 3 3HD2 LEU 3 15.179 16.253 7.561
30 HD22 LEU 3 1HD2 LEU 3 15.607 16.224 9.272
31 HD23 LEU 3 2HD2 LEU 3 14.594 17.522 8.638
32 H LYS 4 H LYS 4 11.607 15.712 12.095
33 HA LYS 4 HA LYS 4 12.199 16.335 14.893
34 HB2 LYS 4 2HB LYS 4 11.904 18.479 13.673
35 HB3 LYS 4 1HB LYS 4 10.312 17.940 13.154
36 HG2 LYS 4 2HG LYS 4 9.738 17.738 15.616
37 HG3 LYS 4 1HG LYS 4 11.233 18.622 15.931
38 HD2 LYS 4 2HD LYS 4 8.914 19.586 14.259
39 HD3 LYS 4 1HD LYS 4 9.312 20.126 15.890
40 HE2 LYS 4 2HE LYS 4 11.072 20.446 13.460
41 HE3 LYS 4 1HE LYS 4 10.058 21.708 14.154
42 HZ1 LYS 4 3HZ LYS 4 12.275 22.000 14.920
43 HZ2 LYS 4 1HZ LYS 4 12.389 20.386 15.434
44 HZ3 LYS 4 2HZ LYS 4 11.349 21.463 16.235
45 H ARG 5 H ARG 5 9.531 16.015 12.569
46 HA ARG 5 HA ARG 5 8.076 14.368 14.519
47 HE ARG 5 HE ARG 5 3.110 13.963 12.797
48 HB2 ARG 5 2HB ARG 5 6.812 16.267 13.732
49 HB3 ARG 5 1HB ARG 5 7.161 15.866 12.059
50 HG2 ARG 5 2HG ARG 5 5.836 13.808 12.292
51 HG3 ARG 5 1HG ARG 5 5.449 14.267 13.951
52 HD2 ARG 5 2HD ARG 5 4.285 16.217 13.215
53 HD3 ARG 5 1HD ARG 5 4.842 15.993 11.560
54 HH11 ARG 5 1HH1 ARG 5 3.666 16.461 10.412
55 HH12 ARG 5 2HH1 ARG 5 2.257 16.065 9.466
56 HH21 ARG 5 1HH2 ARG 5 1.237 13.425 11.543
57 HH22 ARG 5 2HH2 ARG 5 0.882 14.346 10.110
58 H VAL 6 H VAL 6 8.106 12.249 14.243
59 HA VAL 6 HA VAL 6 9.190 11.081 11.841
60 HB VAL 6 HB VAL 6 7.959 9.714 14.246
61 HG11 VAL 6 1HG1 VAL 6 9.740 8.657 12.053
62 HG12 VAL 6 2HG1 VAL 6 8.040 8.254 12.308
63 HG13 VAL 6 3HG1 VAL 6 9.253 7.759 13.490
64 HG21 VAL 6 3HG2 VAL 6 10.844 10.340 13.637
65 HG22 VAL 6 1HG2 VAL 6 10.264 9.390 15.004
66 HG23 VAL 6 2HG2 VAL 6 9.857 11.103 14.883
67 H ASP 7 H ASP 7 8.009 10.739 10.083
68 HA ASP 7 HA ASP 7 5.148 10.930 10.166
69 HB2 ASP 7 2HB ASP 7 5.285 10.618 7.718
70 HB3 ASP 7 1HB ASP 7 6.345 11.897 8.296
71 H GLY 8 H GLY 8 7.455 8.349 10.159
72 HA2 GLY 8 2HA GLY 8 5.604 6.455 11.013
73 HA3 GLY 8 1HA GLY 8 5.745 6.279 9.269
74 HA PRO 9 HA PRO 9 9.307 4.074 11.478
75 HB2 PRO 9 2HB PRO 9 7.943 1.543 11.129
76 HB3 PRO 9 1HB PRO 9 8.514 2.287 12.623
77 HG2 PRO 9 2HG PRO 9 5.875 1.960 12.010
78 HG3 PRO 9 1HG PRO 9 6.485 3.242 13.072
79 HD2 PRO 9 2HD PRO 9 5.685 3.382 10.190
80 HD3 PRO 9 1HD PRO 9 5.399 4.550 11.498
81 H ARG 10 H ARG 10 10.546 2.151 10.471
82 HA ARG 10 HA ARG 10 10.477 2.556 7.590
83 HE ARG 10 HE ARG 10 13.662 2.224 6.286
84 HB2 ARG 10 2HB ARG 10 12.453 1.083 9.334
85 HB3 ARG 10 1HB ARG 10 12.602 1.259 7.590
86 HG2 ARG 10 2HG ARG 10 12.380 3.818 8.181
87 HG3 ARG 10 1HG ARG 10 12.983 3.264 9.744
88 HD2 ARG 10 2HD ARG 10 14.850 3.919 8.376
89 HD3 ARG 10 1HD ARG 10 14.872 2.165 8.575
90 HH11 ARG 10 1HH1 ARG 10 16.226 4.386 7.311
91 HH12 ARG 10 2HH1 ARG 10 16.776 4.703 5.694
92 HH21 ARG 10 1HH2 ARG 10 14.373 2.662 4.147
93 HH22 ARG 10 2HH2 ARG 10 15.723 3.733 3.895
94 H GLN 11 H GLN 11 9.486 0.244 9.901
95 HA GLN 11 HA GLN 11 8.486 -1.451 7.771
96 HB2 GLN 11 2HB GLN 11 9.340 -3.527 8.880
97 HB3 GLN 11 1HB GLN 11 10.588 -2.538 8.137
98 HG2 GLN 11 2HG GLN 11 11.387 -1.790 10.209
99 HG3 GLN 11 1HG GLN 11 9.942 -2.344 11.058
100 HE21 GLN 11 1HE2 GLN 11 12.933 -3.318 9.553
101 HE22 GLN 11 2HE2 GLN 11 13.000 -4.902 10.254
102 H VAL 12 H VAL 12 6.680 -2.594 8.308
103 HA VAL 12 HA VAL 12 5.721 -2.410 11.089
104 HB VAL 12 HB VAL 12 3.396 -2.210 10.177
105 HG11 VAL 12 1HG1 VAL 12 4.559 -0.274 11.080
106 HG12 VAL 12 2HG1 VAL 12 3.540 0.191 9.720
107 HG13 VAL 12 3HG1 VAL 12 5.285 0.043 9.506
108 HG21 VAL 12 3HG2 VAL 12 3.086 -1.419 7.890
109 HG22 VAL 12 1HG2 VAL 12 3.835 -3.016 7.913
110 HG23 VAL 12 2HG2 VAL 12 4.816 -1.587 7.589
111 H THR 13 H THR 13 4.194 -4.090 11.679
112 HA THR 13 HA THR 13 4.904 -6.616 10.441
113 HB THR 13 HB THR 13 3.116 -6.274 12.839
114 HG1 THR 13 HG1 THR 13 5.784 -6.676 13.381
115 HG21 THR 13 3HG2 THR 13 5.094 -8.411 12.024
116 HG22 THR 13 1HG2 THR 13 3.339 -8.530 11.911
117 HG23 THR 13 2HG2 THR 13 4.117 -8.422 13.490
118 H LEU 14 H LEU 14 3.542 -7.905 9.304
119 HA LEU 14 HA LEU 14 0.886 -6.870 8.669
120 HG LEU 14 HG LEU 14 2.167 -7.945 5.365
121 HB2 LEU 14 2HB LEU 14 2.482 -9.180 7.546
122 HB3 LEU 14 1HB LEU 14 0.836 -8.828 7.066
123 HD11 LEU 14 1HD1 LEU 14 1.521 -5.677 7.229
124 HD12 LEU 14 2HD1 LEU 14 0.446 -6.398 6.031
125 HD13 LEU 14 3HD1 LEU 14 1.884 -5.517 5.511
126 HD21 LEU 14 3HD2 LEU 14 4.293 -8.081 6.595
127 HD22 LEU 14 1HD2 LEU 14 3.879 -6.582 7.424
128 HD23 LEU 14 2HD2 LEU 14 4.116 -6.590 5.677
129 HA PRO 15 HA PRO 15 -1.237 -9.823 11.239
130 HB2 PRO 15 2HB PRO 15 -3.495 -10.288 9.838
131 HB3 PRO 15 1HB PRO 15 -3.186 -8.741 10.634
132 HG2 PRO 15 2HG PRO 15 -2.848 -9.489 7.757
133 HG3 PRO 15 1HG PRO 15 -3.536 -8.012 8.454
134 HD2 PRO 15 2HD PRO 15 -0.990 -8.168 7.495
135 HD3 PRO 15 1HD PRO 15 -1.471 -7.072 8.807
136 H ASP 16 H ASP 16 0.015 -10.560 8.247
137 HA ASP 16 HA ASP 16 -0.685 -13.397 8.414
138 HB2 ASP 16 2HB ASP 16 0.402 -13.457 6.102
139 HB3 ASP 16 1HB ASP 16 -1.121 -12.588 6.234
140 H GLY 17 H GLY 17 1.579 -11.409 9.623
141 HA2 GLY 17 2HA GLY 17 3.299 -12.262 10.997
142 HA3 GLY 17 1HA GLY 17 3.392 -13.677 9.966
143 H THR 18 H THR 18 3.330 -11.375 7.761
144 HA THR 18 HA THR 18 6.172 -11.489 7.339
145 HB THR 18 HB THR 18 4.124 -9.938 5.740
146 HG1 THR 18 HG1 THR 18 3.312 -11.942 5.613
147 HG21 THR 18 3HG2 THR 18 5.643 -10.336 3.865
148 HG22 THR 18 1HG2 THR 18 6.755 -11.186 4.935
149 HG23 THR 18 2HG2 THR 18 6.459 -9.462 5.161
150 H VAL 19 H VAL 19 7.397 -9.474 6.740
151 HA VAL 19 HA VAL 19 6.605 -7.162 8.383
152 HB VAL 19 HB VAL 19 9.364 -8.021 7.478
153 HG11 VAL 19 1HG1 VAL 19 8.552 -5.529 8.980
154 HG12 VAL 19 2HG1 VAL 19 9.184 -5.593 7.334
155 HG13 VAL 19 3HG1 VAL 19 10.211 -6.058 8.690
156 HG21 VAL 19 3HG2 VAL 19 8.597 -9.257 9.399
157 HG22 VAL 19 1HG2 VAL 19 8.120 -7.765 10.210
158 HG23 VAL 19 2HG2 VAL 19 9.824 -8.094 9.905
159 H LEU 20 H LEU 20 6.243 -5.265 7.398
160 HA LEU 20 HA LEU 20 6.819 -5.087 4.514
161 HG LEU 20 HG LEU 20 5.222 -2.206 4.493
162 HB2 LEU 20 2HB LEU 20 4.456 -5.097 4.878
163 HB3 LEU 20 1HB LEU 20 4.580 -3.907 6.156
164 HD11 LEU 20 1HD1 LEU 20 5.022 -2.677 2.113
165 HD12 LEU 20 2HD1 LEU 20 4.690 -4.374 2.463
166 HD13 LEU 20 3HD1 LEU 20 6.270 -3.687 2.845
167 HD21 LEU 20 3HD2 LEU 20 2.887 -2.502 5.127
168 HD22 LEU 20 1HD2 LEU 20 2.682 -3.687 3.837
169 HD23 LEU 20 2HD2 LEU 20 3.034 -2.004 3.441
170 H SER 21 H SER 21 8.628 -3.953 4.297
171 HA SER 21 HA SER 21 9.101 -1.655 6.029
172 HG SER 21 HG SER 21 10.615 -4.090 3.756
173 HB2 SER 21 2HB SER 21 11.363 -1.652 4.996
174 HB3 SER 21 1HB SER 21 10.962 -3.194 5.748
175 H ARG 22 H ARG 22 9.928 0.359 4.988
176 HA ARG 22 HA ARG 22 8.063 1.248 3.036
177 HE ARG 22 HE ARG 22 7.047 4.441 6.546
178 HB2 ARG 22 2HB ARG 22 10.445 2.517 4.358
179 HB3 ARG 22 1HB ARG 22 9.570 3.343 3.075
180 HG2 ARG 22 2HG ARG 22 7.510 3.190 4.379
181 HG3 ARG 22 1HG ARG 22 8.390 2.368 5.667
182 HD2 ARG 22 2HD ARG 22 9.660 4.291 6.161
183 HD3 ARG 22 1HD ARG 22 9.164 5.096 4.669
184 HH11 ARG 22 1HH1 ARG 22 9.255 6.890 5.356
185 HH12 ARG 22 2HH1 ARG 22 8.292 8.207 5.965
186 HH21 ARG 22 1HH2 ARG 22 5.789 6.191 7.299
187 HH22 ARG 22 2HH2 ARG 22 6.358 7.820 7.049
188 H ALA 23 H ALA 23 11.012 -0.367 2.755
189 HA ALA 23 HA ALA 23 11.503 0.592 0.043
190 HB1 ALA 23 3HB ALA 23 13.481 -0.830 0.094
191 HB2 ALA 23 1HB ALA 23 12.988 -1.478 1.659
192 HB3 ALA 23 2HB ALA 23 13.430 0.221 1.509
193 H ASP 24 H ASP 24 9.580 -1.645 1.557
194 HA ASP 24 HA ASP 24 9.737 -3.661 -0.544
195 HB2 ASP 24 2HB ASP 24 9.528 -4.293 1.885
196 HB3 ASP 24 1HB ASP 24 7.909 -3.606 1.865
197 H LEU 25 H LEU 25 8.041 -0.831 0.182
198 HA LEU 25 HA LEU 25 5.567 -1.280 -1.042
199 HG LEU 25 HG LEU 25 6.208 0.378 1.289
200 HB2 LEU 25 2HB LEU 25 7.284 1.180 -0.807
201 HB3 LEU 25 1HB LEU 25 5.704 1.213 -1.566
202 HD11 LEU 25 1HD1 LEU 25 5.253 2.525 1.904
203 HD12 LEU 25 2HD1 LEU 25 5.105 2.968 0.205
204 HD13 LEU 25 3HD1 LEU 25 6.702 2.754 0.925
205 HD21 LEU 25 3HD2 LEU 25 3.775 0.575 1.498
206 HD22 LEU 25 1HD2 LEU 25 4.228 -0.649 0.313
207 HD23 LEU 25 2HD2 LEU 25 3.658 0.930 -0.226
208 HA PRO 26 HA PRO 26 6.592 -2.022 -5.270
209 HB2 PRO 26 2HB PRO 26 4.292 -1.043 -6.417
210 HB3 PRO 26 1HB PRO 26 4.422 -2.635 -5.663
211 HG2 PRO 26 2HG PRO 26 3.350 -0.084 -4.532
212 HG3 PRO 26 1HG PRO 26 2.706 -1.730 -4.394
213 HD2 PRO 26 2HD PRO 26 4.075 -0.597 -2.389
214 HD3 PRO 26 1HD PRO 26 4.240 -2.328 -2.757
215 HA PRO 27 HA PRO 27 8.375 1.811 -6.627
216 HB2 PRO 27 2HB PRO 27 9.057 1.013 -9.137
217 HB3 PRO 27 1HB PRO 27 9.951 0.525 -7.691
218 HG2 PRO 27 2HG PRO 27 7.816 -0.967 -9.185
219 HG3 PRO 27 1HG PRO 27 9.386 -1.556 -8.595
220 HD2 PRO 27 2HD PRO 27 7.134 -2.040 -7.244
221 HD3 PRO 27 1HD PRO 27 8.651 -1.672 -6.394
222 H LEU 28 H LEU 28 8.197 3.372 -8.415
223 HA LEU 28 HA LEU 28 5.396 3.862 -8.902
224 HG LEU 28 HG LEU 28 7.822 5.303 -7.323
225 HB2 LEU 28 2HB LEU 28 7.794 5.480 -9.760
226 HB3 LEU 28 1HB LEU 28 6.128 6.027 -9.717
227 HD11 LEU 28 1HD1 LEU 28 8.477 7.409 -8.341
228 HD12 LEU 28 2HD1 LEU 28 7.669 7.684 -6.797
229 HD13 LEU 28 3HD1 LEU 28 6.802 7.964 -8.307
230 HD21 LEU 28 3HD2 LEU 28 5.954 6.107 -5.982
231 HD22 LEU 28 1HD2 LEU 28 5.468 4.732 -6.973
232 HD23 LEU 28 2HD2 LEU 28 4.999 6.367 -7.442
233 H ASP 29 H ASP 29 7.694 2.148 -10.584
234 HA ASP 29 HA ASP 29 7.048 2.911 -13.265
235 HB2 ASP 29 2HB ASP 29 8.474 1.216 -13.948
236 HB3 ASP 29 1HB ASP 29 9.092 1.504 -12.326
237 H THR 30 H THR 30 5.600 1.024 -10.856
238 HA THR 30 HA THR 30 4.270 -0.831 -12.582
239 HB THR 30 HB THR 30 4.056 -0.288 -9.623
240 HG1 THR 30 HG1 THR 30 6.049 -1.221 -10.509
241 HG21 THR 30 3HG2 THR 30 2.859 -2.536 -11.249
242 HG22 THR 30 1HG2 THR 30 1.960 -1.227 -10.479
243 HG23 THR 30 2HG2 THR 30 2.828 -2.401 -9.489
244 H ARG 31 H ARG 31 2.600 -0.256 -13.765
245 HA ARG 31 HA ARG 31 0.502 1.357 -12.482
246 HE ARG 31 HE ARG 31 -1.206 3.368 -14.244
247 HB2 ARG 31 2HB ARG 31 1.311 1.149 -15.371
248 HB3 ARG 31 1HB ARG 31 -0.280 1.730 -14.901
249 HG2 ARG 31 2HG ARG 31 2.366 2.949 -14.143
250 HG3 ARG 31 1HG ARG 31 1.189 3.597 -15.290
251 HD2 ARG 31 2HD ARG 31 0.907 3.304 -12.306
252 HD3 ARG 31 1HD ARG 31 0.889 4.789 -13.258
253 HH11 ARG 31 1HH1 ARG 31 -0.301 4.483 -11.047
254 HH12 ARG 31 2HH1 ARG 31 -1.934 4.519 -10.463
255 HH21 ARG 31 1HH2 ARG 31 -3.339 3.381 -13.472
256 HH22 ARG 31 2HH2 ARG 31 -3.667 3.889 -11.833
257 H ARG 32 H ARG 32 1.292 -1.560 -14.236
258 HA ARG 32 HA ARG 32 -1.394 -2.558 -14.192
259 HE ARG 32 HE ARG 32 2.252 -5.115 -16.006
260 HB2 ARG 32 2HB ARG 32 1.260 -3.947 -14.555
261 HB3 ARG 32 1HB ARG 32 -0.283 -4.788 -14.603
262 HG2 ARG 32 2HG ARG 32 -0.966 -3.298 -16.462
263 HG3 ARG 32 1HG ARG 32 0.668 -2.633 -16.467
264 HD2 ARG 32 2HD ARG 32 -0.062 -5.526 -16.902
265 HD3 ARG 32 1HD ARG 32 0.374 -4.379 -18.167
266 HH11 ARG 32 1HH1 ARG 32 1.489 -4.694 -19.401
267 HH12 ARG 32 2HH1 ARG 32 3.108 -5.032 -19.935
268 HH21 ARG 32 1HH2 ARG 32 4.380 -5.582 -16.717
269 HH22 ARG 32 2HH2 ARG 32 4.738 -5.541 -18.419
270 H TRP 33 H TRP 33 -1.880 -1.970 -12.037
271 HA TRP 33 HA TRP 33 -0.493 -3.087 -9.832
272 HD1 TRP 33 HD1 TRP 33 -2.296 0.557 -10.959
273 HE1 TRP 33 HE1 TRP 33 -0.601 2.273 -10.060
274 HE3 TRP 33 HE3 TRP 33 -0.283 -2.207 -7.176
275 HZ2 TRP 33 HZ2 TRP 33 1.332 2.432 -8.004
276 HZ3 TRP 33 HZ3 TRP 33 1.474 -1.208 -5.783
277 HH2 TRP 33 HH2 TRP 33 2.268 1.062 -6.190
278 HB2 TRP 33 2HB TRP 33 -3.177 -1.747 -10.099
279 HB3 TRP 33 1HB TRP 33 -2.548 -2.321 -8.555
280 H VAL 34 H VAL 34 -0.428 -5.145 -9.411
281 HA VAL 34 HA VAL 34 -2.834 -6.784 -9.745
282 HB VAL 34 HB VAL 34 -1.365 -8.731 -9.523
283 HG11 VAL 34 1HG1 VAL 34 -0.363 -6.721 -11.544
284 HG12 VAL 34 2HG1 VAL 34 -1.736 -7.808 -11.745
285 HG13 VAL 34 3HG1 VAL 34 -0.106 -8.466 -11.614
286 HG21 VAL 34 3HG2 VAL 34 0.883 -6.723 -9.304
287 HG22 VAL 34 1HG2 VAL 34 1.068 -8.475 -9.433
288 HG23 VAL 34 2HG2 VAL 34 0.300 -7.770 -8.009
289 H ALA 35 H ALA 35 -3.087 -8.500 -7.968
290 HA ALA 35 HA ALA 35 -3.835 -7.184 -5.651
291 HB1 ALA 35 3HB ALA 35 -4.206 -9.389 -4.680
292 HB2 ALA 35 1HB ALA 35 -3.261 -10.123 -5.977
293 HB3 ALA 35 2HB ALA 35 -4.782 -9.309 -6.345
294 H SER 36 H SER 36 -0.861 -9.026 -6.234
295 HA SER 36 HA SER 36 0.145 -9.086 -3.641
296 HG SER 36 HG SER 36 1.413 -11.286 -5.202
297 HB2 SER 36 2HB SER 36 1.779 -8.751 -6.165
298 HB3 SER 36 1HB SER 36 2.309 -9.474 -4.646
299 H ARG 37 H ARG 37 0.638 -6.634 -6.161
300 HA ARG 37 HA ARG 37 2.316 -5.012 -4.514
301 HE ARG 37 HE ARG 37 4.256 -5.805 -9.802
302 HB2 ARG 37 2HB ARG 37 0.933 -4.381 -7.127
303 HB3 ARG 37 1HB ARG 37 2.157 -3.378 -6.361
304 HG2 ARG 37 2HG ARG 37 3.731 -5.314 -6.527
305 HG3 ARG 37 1HG ARG 37 2.506 -6.146 -7.489
306 HD2 ARG 37 2HD ARG 37 2.562 -4.370 -9.137
307 HD3 ARG 37 1HD ARG 37 3.715 -3.468 -8.157
308 HH11 ARG 37 1HH1 ARG 37 5.414 -3.600 -7.352
309 HH12 ARG 37 2HH1 ARG 37 7.092 -3.918 -7.661
310 HH21 ARG 37 1HH2 ARG 37 6.468 -6.209 -10.251
311 HH22 ARG 37 2HH2 ARG 37 7.688 -5.364 -9.347
312 H LYS 38 H LYS 38 -1.089 -5.010 -5.389
313 HA LYS 38 HA LYS 38 -1.793 -2.535 -4.252
314 HB2 LYS 38 2HB LYS 38 -3.443 -5.050 -4.570
315 HB3 LYS 38 1HB LYS 38 -4.095 -3.484 -4.115
316 HG2 LYS 38 2HG LYS 38 -3.284 -2.572 -6.266
317 HG3 LYS 38 1HG LYS 38 -2.766 -4.196 -6.719
318 HD2 LYS 38 2HD LYS 38 -5.085 -4.985 -6.484
319 HD3 LYS 38 1HD LYS 38 -5.590 -3.347 -6.066
320 HE2 LYS 38 2HE LYS 38 -4.792 -2.568 -8.262
321 HE3 LYS 38 1HE LYS 38 -4.349 -4.224 -8.671
322 HZ1 LYS 38 3HZ LYS 38 -6.426 -3.829 -9.654
323 HZ2 LYS 38 1HZ LYS 38 -7.067 -3.118 -8.254
324 HZ3 LYS 38 2HZ LYS 38 -6.759 -4.784 -8.291
325 H ALA 39 H ALA 39 -1.653 -5.797 -2.901
326 HA ALA 39 HA ALA 39 -2.700 -5.276 -0.372
327 HB1 ALA 39 3HB ALA 39 -0.586 -7.283 -1.140
328 HB2 ALA 39 1HB ALA 39 -2.330 -7.530 -1.205
329 HB3 ALA 39 2HB ALA 39 -1.529 -7.301 0.349
330 H ALA 40 H ALA 40 0.648 -5.074 -1.524
331 HA ALA 40 HA ALA 40 1.858 -4.479 0.925
332 HB1 ALA 40 3HB ALA 40 3.716 -3.617 -0.369
333 HB2 ALA 40 1HB ALA 40 2.699 -3.518 -1.807
334 HB3 ALA 40 2HB ALA 40 3.091 -5.089 -1.110
335 H VAL 41 H VAL 41 0.389 -2.334 -1.483
336 HA VAL 41 HA VAL 41 1.142 0.092 -0.225
337 HB VAL 41 HB VAL 41 -1.177 -0.423 -2.091
338 HG11 VAL 41 1HG1 VAL 41 -1.066 1.980 -2.558
339 HG12 VAL 41 2HG1 VAL 41 0.176 2.158 -1.318
340 HG13 VAL 41 3HG1 VAL 41 -1.455 1.659 -0.868
341 HG21 VAL 41 3HG2 VAL 41 0.310 0.401 -3.844
342 HG22 VAL 41 1HG2 VAL 41 0.963 -1.046 -3.073
343 HG23 VAL 41 2HG2 VAL 41 1.618 0.538 -2.667
344 H VAL 42 H VAL 42 -1.923 -1.727 -0.203
345 HA VAL 42 HA VAL 42 -3.247 0.150 1.441
346 HB VAL 42 HB VAL 42 -4.470 -1.389 -0.026
347 HG11 VAL 42 1HG1 VAL 42 -4.848 -3.716 0.629
348 HG12 VAL 42 2HG1 VAL 42 -3.676 -3.533 1.934
349 HG13 VAL 42 3HG1 VAL 42 -3.153 -3.404 0.255
350 HG21 VAL 42 3HG2 VAL 42 -6.270 -1.955 1.528
351 HG22 VAL 42 1HG2 VAL 42 -5.637 -0.334 1.814
352 HG23 VAL 42 2HG2 VAL 42 -5.184 -1.662 2.885
353 H LYS 43 H LYS 43 -1.508 -2.853 2.184
354 HA LYS 43 HA LYS 43 -2.215 -2.903 4.928
355 HB2 LYS 43 2HB LYS 43 0.105 -4.134 3.442
356 HB3 LYS 43 1HB LYS 43 -0.176 -4.389 5.159
357 HG2 LYS 43 2HG LYS 43 -2.350 -5.391 4.655
358 HG3 LYS 43 1HG LYS 43 -2.068 -5.126 2.933
359 HD2 LYS 43 2HD LYS 43 -0.133 -6.597 2.999
360 HD3 LYS 43 1HD LYS 43 -0.345 -6.825 4.736
361 HE2 LYS 43 2HE LYS 43 -2.531 -7.850 4.327
362 HE3 LYS 43 1HE LYS 43 -2.308 -7.629 2.593
363 HZ1 LYS 43 3HZ LYS 43 -1.764 -9.874 3.226
364 HZ2 LYS 43 1HZ LYS 43 -0.637 -9.337 4.373
365 HZ3 LYS 43 2HZ LYS 43 -0.352 -9.079 2.718
366 H ALA 44 H ALA 44 0.215 -1.181 3.126
367 HA ALA 44 HA ALA 44 1.891 -0.442 5.264
368 HB1 ALA 44 3HB ALA 44 2.532 -0.169 2.922
369 HB2 ALA 44 1HB ALA 44 2.668 1.352 3.802
370 HB3 ALA 44 2HB ALA 44 1.298 1.073 2.724
371 H VAL 45 H VAL 45 -0.925 1.170 3.819
372 HA VAL 45 HA VAL 45 -0.903 3.386 5.598
373 HB VAL 45 HB VAL 45 -3.216 2.270 3.996
374 HG11 VAL 45 1HG1 VAL 45 -4.197 4.490 4.215
375 HG12 VAL 45 2HG1 VAL 45 -2.828 5.011 5.197
376 HG13 VAL 45 3HG1 VAL 45 -3.926 3.770 5.804
377 HG21 VAL 45 3HG2 VAL 45 -1.234 4.438 3.305
378 HG22 VAL 45 1HG2 VAL 45 -2.630 3.971 2.337
379 HG23 VAL 45 2HG2 VAL 45 -1.307 2.831 2.581
380 H ILE 46 H ILE 46 -2.621 0.307 5.557
381 HA ILE 46 HA ILE 46 -4.321 0.789 7.735
382 HB ILE 46 HB ILE 46 -3.276 -1.785 6.561
383 HG12 ILE 46 2HG1 ILE 46 -5.940 -0.364 6.364
384 HG13 ILE 46 1HG1 ILE 46 -4.707 -0.421 5.109
385 HG21 ILE 46 1HG2 ILE 46 -3.879 -2.213 8.877
386 HG22 ILE 46 2HG2 ILE 46 -5.054 -2.942 7.780
387 HG23 ILE 46 3HG2 ILE 46 -5.446 -1.444 8.622
388 HD11 ILE 46 3HD1 ILE 46 -6.265 -2.766 6.175
389 HD12 ILE 46 1HD1 ILE 46 -5.016 -2.844 4.931
390 HD13 ILE 46 2HD1 ILE 46 -6.511 -1.958 4.626
391 H HIS 47 H HIS 47 -0.942 -0.099 7.649
392 HA HIS 47 HA HIS 47 -1.038 -0.715 10.519
393 HD1 HIS 47 HD1 HIS 47 -0.880 -3.027 11.211
394 HD2 HIS 47 HD2 HIS 47 0.420 -3.618 7.312
395 HE1 HIS 47 HE1 HIS 47 -1.742 -5.292 10.550
396 HE2 HIS 47 HE2 HIS 47 -0.783 -5.694 8.259
397 HB2 HIS 47 2HB HIS 47 1.078 -1.272 8.450
398 HB3 HIS 47 1HB HIS 47 1.336 -1.506 10.177
399 H GLY 48 H GLY 48 -0.560 1.936 8.648
400 HA2 GLY 48 2HA GLY 48 0.029 4.052 9.403
401 HA3 GLY 48 1HA GLY 48 0.615 3.323 10.891
402 H LEU 49 H LEU 49 1.757 1.988 7.955
403 HA LEU 49 HA LEU 49 4.460 2.798 8.465
404 HG LEU 49 HG LEU 49 5.560 2.379 5.681
405 HB2 LEU 49 2HB LEU 49 3.866 0.619 7.446
406 HB3 LEU 49 1HB LEU 49 3.237 1.459 6.042
407 HD11 LEU 49 1HD1 LEU 49 7.413 1.207 6.739
408 HD12 LEU 49 2HD1 LEU 49 6.279 0.271 7.713
409 HD13 LEU 49 3HD1 LEU 49 6.408 2.015 7.943
410 HD21 LEU 49 3HD2 LEU 49 5.179 -0.608 5.581
411 HD22 LEU 49 1HD2 LEU 49 6.382 0.308 4.672
412 HD23 LEU 49 2HD2 LEU 49 4.665 0.550 4.357
413 H ILE 50 H ILE 50 2.027 3.475 6.003
414 HA ILE 50 HA ILE 50 3.240 6.120 5.596
415 HB ILE 50 HB ILE 50 2.757 6.087 3.229
416 HG12 ILE 50 2HG1 ILE 50 1.899 3.203 3.460
417 HG13 ILE 50 1HG1 ILE 50 0.749 4.536 3.509
418 HG21 ILE 50 1HG2 ILE 50 4.933 5.231 3.833
419 HG22 ILE 50 2HG2 ILE 50 4.316 4.335 2.443
420 HG23 ILE 50 3HG2 ILE 50 4.272 3.612 4.051
421 HD11 ILE 50 3HD1 ILE 50 0.914 3.547 1.287
422 HD12 ILE 50 1HD1 ILE 50 2.634 3.938 1.240
423 HD13 ILE 50 2HD1 ILE 50 1.435 5.232 1.290
424 H THR 51 H THR 51 1.545 7.605 4.537
425 HA THR 51 HA THR 51 -0.998 7.106 5.873
426 HB THR 51 HB THR 51 -0.144 9.236 6.448
427 HG1 THR 51 HG1 THR 51 -2.277 9.548 6.134
428 HG21 THR 51 3HG2 THR 51 1.491 9.537 4.682
429 HG22 THR 51 1HG2 THR 51 0.453 10.958 4.790
430 HG23 THR 51 2HG2 THR 51 0.205 9.780 3.504
431 H GLU 52 H GLU 52 -2.992 7.592 4.765
432 HA GLU 52 HA GLU 52 -3.247 6.141 2.385
433 HB2 GLU 52 2HB GLU 52 -4.972 6.684 4.227
434 HB3 GLU 52 1HB GLU 52 -5.252 8.169 3.333
435 HG2 GLU 52 2HG GLU 52 -5.984 6.954 1.409
436 HG3 GLU 52 1HG GLU 52 -5.516 5.420 2.143
437 H ARG 53 H ARG 53 -3.126 9.604 3.026
438 HA ARG 53 HA ARG 53 -3.589 10.562 0.441
439 HE ARG 53 HE ARG 53 -3.094 12.667 -0.710
440 HB2 ARG 53 2HB ARG 53 -2.139 11.614 2.825
441 HB3 ARG 53 1HB ARG 53 -1.908 12.426 1.284
442 HG2 ARG 53 2HG ARG 53 -4.514 11.996 2.720
443 HG3 ARG 53 1HG ARG 53 -3.641 13.519 2.542
444 HD2 ARG 53 2HD ARG 53 -5.047 11.910 0.428
445 HD3 ARG 53 1HD ARG 53 -5.367 13.568 0.931
446 HH11 ARG 53 1HH1 ARG 53 -4.970 15.283 0.669
447 HH12 ARG 53 2HH1 ARG 53 -4.415 16.453 -0.493
448 HH21 ARG 53 1HH2 ARG 53 -2.327 14.206 -2.207
449 HH22 ARG 53 2HH2 ARG 53 -2.893 15.851 -2.103
450 H GLU 54 H GLU 54 -0.643 9.489 2.012
451 HA GLU 54 HA GLU 54 1.209 10.180 0.052
452 HB2 GLU 54 2HB GLU 54 1.898 9.455 2.268
453 HB3 GLU 54 1HB GLU 54 1.207 7.865 1.998
454 HG2 GLU 54 2HG GLU 54 3.637 7.849 1.815
455 HG3 GLU 54 1HG GLU 54 2.862 7.398 0.297
456 H ALA 55 H ALA 55 -0.660 7.196 0.505
457 HA ALA 55 HA ALA 55 0.434 5.791 -1.673
458 HB1 ALA 55 3HB ALA 55 -0.865 4.724 0.115
459 HB2 ALA 55 1HB ALA 55 -1.493 4.321 -1.483
460 HB3 ALA 55 2HB ALA 55 -2.324 5.512 -0.483
461 H LEU 56 H LEU 56 -2.475 7.820 -1.446
462 HA LEU 56 HA LEU 56 -3.338 7.411 -4.108
463 HG LEU 56 HG LEU 56 -4.494 7.704 -1.194
464 HB2 LEU 56 2HB LEU 56 -3.878 9.830 -2.386
465 HB3 LEU 56 1HB LEU 56 -4.826 9.274 -3.747
466 HD11 LEU 56 1HD1 LEU 56 -6.737 9.519 -2.067
467 HD12 LEU 56 2HD1 LEU 56 -5.636 9.781 -0.714
468 HD13 LEU 56 3HD1 LEU 56 -6.779 8.437 -0.673
469 HD21 LEU 56 3HD2 LEU 56 -5.047 6.330 -3.110
470 HD22 LEU 56 1HD2 LEU 56 -6.375 7.411 -3.534
471 HD23 LEU 56 2HD2 LEU 56 -6.443 6.470 -2.045
472 H ASP 57 H ASP 57 -1.123 9.721 -2.655
473 HA ASP 57 HA ASP 57 -0.931 11.356 -5.001
474 HB2 ASP 57 2HB ASP 57 0.754 11.196 -2.500
475 HB3 ASP 57 1HB ASP 57 1.129 12.285 -3.828
476 H ARG 58 H ARG 58 1.361 9.089 -3.448
477 HA ARG 58 HA ARG 58 3.337 9.440 -5.427
478 HE ARG 58 HE ARG 58 4.781 4.737 -2.968
479 HB2 ARG 58 2HB ARG 58 4.509 7.592 -4.371
480 HB3 ARG 58 1HB ARG 58 3.839 8.664 -3.149
481 HG2 ARG 58 2HG ARG 58 1.919 7.063 -2.944
482 HG3 ARG 58 1HG ARG 58 2.831 5.957 -3.974
483 HD2 ARG 58 2HD ARG 58 3.953 7.113 -1.432
484 HD3 ARG 58 1HD ARG 58 3.026 5.614 -1.466
485 HH11 ARG 58 1HH1 ARG 58 5.526 7.559 -1.018
486 HH12 ARG 58 2HH1 ARG 58 7.216 7.146 -0.856
487 HH21 ARG 58 1HH2 ARG 58 6.990 4.200 -2.738
488 HH22 ARG 58 2HH2 ARG 58 8.031 5.225 -1.803
489 H TYR 59 H TYR 59 0.685 7.129 -5.188
490 HA TYR 59 HA TYR 59 1.763 5.728 -7.535
491 HD1 TYR 59 HD2 TYR 59 2.909 3.885 -6.902
492 HD2 TYR 59 HD1 TYR 59 0.224 4.103 -3.616
493 HE1 TYR 59 HE2 TYR 59 4.616 2.879 -5.453
494 HE2 TYR 59 HE1 TYR 59 1.928 3.107 -2.151
495 HH TYR 59 HH TYR 59 3.965 1.640 -2.421
496 HB2 TYR 59 2HB TYR 59 -0.458 4.915 -5.650
497 HB3 TYR 59 1HB TYR 59 0.130 3.957 -7.005
498 H SER 60 H SER 60 -0.132 8.277 -7.002
499 HA SER 60 HA SER 60 -1.820 9.342 -8.070
500 HG SER 60 HG SER 60 -0.178 10.208 -9.535
501 HB2 SER 60 2HB SER 60 -0.908 7.582 -10.363
502 HB3 SER 60 1HB SER 60 -1.938 9.006 -10.525
503 H LEU 61 H LEU 61 -3.028 7.892 -6.470
504 HA LEU 61 HA LEU 61 -4.870 6.086 -7.894
505 HG LEU 61 HG LEU 61 -2.265 5.386 -6.095
506 HB2 LEU 61 2HB LEU 61 -4.304 6.162 -4.933
507 HB3 LEU 61 1HB LEU 61 -5.238 4.960 -5.798
508 HD11 LEU 61 1HD1 LEU 61 -2.887 4.499 -3.901
509 HD12 LEU 61 2HD1 LEU 61 -2.045 3.295 -4.877
510 HD13 LEU 61 3HD1 LEU 61 -3.797 3.208 -4.685
511 HD21 LEU 61 3HD2 LEU 61 -4.062 3.230 -7.195
512 HD22 LEU 61 1HD2 LEU 61 -2.309 3.310 -7.363
513 HD23 LEU 61 2HD2 LEU 61 -3.326 4.531 -8.130
514 H SER 62 H SER 62 -7.063 6.296 -7.543
515 HA SER 62 HA SER 62 -7.916 8.821 -6.325
516 HG SER 62 HG SER 62 -8.400 7.578 -9.589
517 HB2 SER 62 2HB SER 62 -9.564 6.886 -7.979
518 HB3 SER 62 1HB SER 62 -9.959 8.556 -7.576
519 H GLU 63 H GLU 63 -10.152 8.653 -5.214
520 HA GLU 63 HA GLU 63 -9.757 7.256 -2.846
521 HB2 GLU 63 2HB GLU 63 -11.214 9.301 -3.297
522 HB3 GLU 63 1HB GLU 63 -12.446 8.168 -3.842
523 HG2 GLU 63 2HG GLU 63 -12.314 7.052 -1.642
524 HG3 GLU 63 1HG GLU 63 -11.201 8.314 -1.122
525 H GLU 64 H GLU 64 -11.845 6.477 -5.622
526 HA GLU 64 HA GLU 64 -12.990 4.160 -4.447
527 HB2 GLU 64 2HB GLU 64 -13.578 3.544 -6.819
528 HB3 GLU 64 1HB GLU 64 -14.160 5.112 -6.278
529 HG2 GLU 64 2HG GLU 64 -11.553 5.011 -7.683
530 HG3 GLU 64 1HG GLU 64 -13.016 4.767 -8.631
531 H GLU 65 H GLU 65 -10.061 4.740 -6.250
532 HA GLU 65 HA GLU 65 -9.420 2.116 -6.994
533 HB2 GLU 65 2HB GLU 65 -8.245 4.137 -7.811
534 HB3 GLU 65 1HB GLU 65 -7.547 4.358 -6.214
535 HG2 GLU 65 2HG GLU 65 -5.852 3.366 -7.440
536 HG3 GLU 65 1HG GLU 65 -6.549 2.033 -6.522
537 H PHE 66 H PHE 66 -8.195 3.993 -4.230
538 HA PHE 66 HA PHE 66 -6.923 1.826 -2.972
539 HD1 PHE 66 HD1 PHE 66 -4.579 2.977 -1.890
540 HD2 PHE 66 HD2 PHE 66 -7.975 3.375 0.642
541 HE1 PHE 66 HE1 PHE 66 -3.229 2.237 0.030
542 HE2 PHE 66 HE2 PHE 66 -6.632 2.637 2.563
543 HZ PHE 66 HZ PHE 66 -4.259 2.068 2.260
544 HB2 PHE 66 2HB PHE 66 -6.560 4.309 -2.543
545 HB3 PHE 66 1HB PHE 66 -8.014 4.258 -1.555
546 H ALA 67 H ALA 67 -10.200 3.052 -2.818
547 HA ALA 67 HA ALA 67 -11.101 1.578 -0.600
548 HB1 ALA 67 3HB ALA 67 -12.674 2.447 -3.023
549 HB2 ALA 67 1HB ALA 67 -12.387 3.413 -1.578
550 HB3 ALA 67 2HB ALA 67 -13.348 1.938 -1.475
551 H LEU 68 H LEU 68 -10.954 0.770 -4.052
552 HA LEU 68 HA LEU 68 -12.155 -1.778 -3.836
553 HG LEU 68 HG LEU 68 -12.244 0.498 -5.999
554 HB2 LEU 68 2HB LEU 68 -10.144 -0.737 -5.836
555 HB3 LEU 68 1HB LEU 68 -11.005 -2.256 -5.995
556 HD11 LEU 68 1HD1 LEU 68 -11.912 -1.546 -8.190
557 HD12 LEU 68 2HD1 LEU 68 -11.034 -0.023 -8.047
558 HD13 LEU 68 3HD1 LEU 68 -12.774 -0.014 -8.329
559 HD21 LEU 68 3HD2 LEU 68 -14.326 -0.677 -6.548
560 HD22 LEU 68 1HD2 LEU 68 -13.727 -1.104 -4.944
561 HD23 LEU 68 2HD2 LEU 68 -13.511 -2.220 -6.294
562 H TRP 69 H TRP 69 -8.772 -0.732 -3.767
563 HA TRP 69 HA TRP 69 -7.548 -3.231 -3.605
564 HD1 TRP 69 HD1 TRP 69 -7.797 -1.343 -5.520
565 HE1 TRP 69 HE1 TRP 69 -6.350 -0.352 -7.402
566 HE3 TRP 69 HE3 TRP 69 -3.502 -0.511 -2.876
567 HZ2 TRP 69 HZ2 TRP 69 -3.723 0.619 -7.723
568 HZ3 TRP 69 HZ3 TRP 69 -1.567 0.445 -4.047
569 HH2 TRP 69 HH2 TRP 69 -1.677 0.998 -6.422
570 HB2 TRP 69 2HB TRP 69 -6.681 -0.617 -2.345
571 HB3 TRP 69 1HB TRP 69 -5.657 -2.038 -2.497
572 H ARG 70 H ARG 70 -8.630 -1.109 -0.961
573 HA ARG 70 HA ARG 70 -7.780 -2.905 1.073
574 HE ARG 70 HE ARG 70 -9.747 0.328 3.770
575 HB2 ARG 70 2HB ARG 70 -8.848 -1.419 2.632
576 HB3 ARG 70 1HB ARG 70 -8.032 -0.458 1.410
577 HG2 ARG 70 2HG ARG 70 -10.340 -0.368 0.263
578 HG3 ARG 70 1HG ARG 70 -10.960 -0.877 1.835
579 HD2 ARG 70 2HD ARG 70 -9.342 1.588 1.224
580 HD3 ARG 70 1HD ARG 70 -11.039 1.522 1.699
581 HH11 ARG 70 1HH1 ARG 70 -9.423 3.406 2.143
582 HH12 ARG 70 2HH1 ARG 70 -8.754 4.223 3.522
583 HH21 ARG 70 1HH2 ARG 70 -8.913 1.398 5.606
584 HH22 ARG 70 2HH2 ARG 70 -8.509 3.090 5.508
585 H SER 71 H SER 71 -10.639 -2.699 -0.856
586 HA SER 71 HA SER 71 -12.204 -4.323 0.948
587 HG SER 71 HG SER 71 -12.865 -1.663 -0.628
588 HB2 SER 71 2HB SER 71 -12.755 -3.440 -1.892
589 HB3 SER 71 1HB SER 71 -13.907 -4.277 -0.848
590 H ALA 72 H ALA 72 -10.161 -4.783 -1.838
591 HA ALA 72 HA ALA 72 -11.038 -7.491 -2.304
592 HB1 ALA 72 3HB ALA 72 -9.308 -7.557 -4.002
593 HB2 ALA 72 1HB ALA 72 -8.629 -6.044 -3.401
594 HB3 ALA 72 2HB ALA 72 -10.234 -6.061 -4.134
595 H VAL 73 H VAL 73 -8.459 -5.899 -0.558
596 HA VAL 73 HA VAL 73 -7.210 -8.483 0.015
597 HB VAL 73 HB VAL 73 -6.201 -5.708 0.656
598 HG11 VAL 73 1HG1 VAL 73 -4.839 -8.393 0.852
599 HG12 VAL 73 2HG1 VAL 73 -5.330 -7.365 2.200
600 HG13 VAL 73 3HG1 VAL 73 -4.060 -6.830 1.099
601 HG21 VAL 73 3HG2 VAL 73 -4.594 -6.090 -1.166
602 HG22 VAL 73 1HG2 VAL 73 -6.262 -6.064 -1.741
603 HG23 VAL 73 2HG2 VAL 73 -5.417 -7.600 -1.557
604 H ALA 74 H ALA 74 -8.046 -5.534 1.862
605 HA ALA 74 HA ALA 74 -7.665 -6.911 4.337
606 HB1 ALA 74 3HB ALA 74 -7.157 -4.519 4.055
607 HB2 ALA 74 1HB ALA 74 -8.262 -4.825 5.395
608 HB3 ALA 74 2HB ALA 74 -8.880 -4.194 3.867
609 H ALA 75 H ALA 75 -10.474 -5.904 2.459
610 HA ALA 75 HA ALA 75 -12.277 -6.775 4.577
611 HB1 ALA 75 3HB ALA 75 -12.713 -4.687 3.311
612 HB2 ALA 75 1HB ALA 75 -14.048 -5.838 3.267
613 HB3 ALA 75 2HB ALA 75 -12.987 -5.666 1.870
614 H HIS 76 H HIS 76 -10.550 -8.424 2.499
615 HA HIS 76 HA HIS 76 -12.492 -10.098 1.237
616 HD1 HIS 76 HD1 HIS 76 -8.492 -12.547 0.619
617 HD2 HIS 76 HD2 HIS 76 -12.576 -12.240 -0.075
618 HE1 HIS 76 HE1 HIS 76 -9.164 -14.726 -0.433
619 HE2 HIS 76 HE2 HIS 76 -11.676 -14.616 -0.565
620 HB2 HIS 76 2HB HIS 76 -10.252 -9.848 0.280
621 HB3 HIS 76 1HB HIS 76 -9.536 -10.534 1.734
622 H GLY 77 H GLY 77 -13.813 -11.272 2.415
623 HA2 GLY 77 2HA GLY 77 -12.769 -13.294 4.177
624 HA3 GLY 77 1HA GLY 77 -13.686 -12.045 5.013
625 H GLU 78 H GLU 78 -13.842 -14.420 2.413
626 HA GLU 78 HA GLU 78 -16.699 -14.160 2.129
627 HB2 GLU 78 2HB GLU 78 -16.508 -15.992 0.520
628 HB3 GLU 78 1HB GLU 78 -15.320 -14.743 0.192
629 HG2 GLU 78 2HG GLU 78 -14.571 -17.114 1.840
630 HG3 GLU 78 1HG GLU 78 -14.648 -17.248 0.088
631 H LYS 79 H LYS 79 -14.718 -15.676 4.320
632 HA LYS 79 HA LYS 79 -16.130 -18.083 4.813
633 HB2 LYS 79 2HB LYS 79 -14.570 -16.476 6.844
634 HB3 LYS 79 1HB LYS 79 -14.887 -18.205 6.865
635 HG2 LYS 79 2HG LYS 79 -13.172 -16.765 4.854
636 HG3 LYS 79 1HG LYS 79 -12.584 -17.692 6.234
637 HD2 LYS 79 2HD LYS 79 -13.653 -19.705 5.315
638 HD3 LYS 79 1HD LYS 79 -14.195 -18.767 3.921
639 HE2 LYS 79 2HE LYS 79 -11.906 -18.326 3.281
640 HE3 LYS 79 1HE LYS 79 -11.316 -19.147 4.727
641 HZ1 LYS 79 3HZ LYS 79 -12.807 -20.399 2.481
642 HZ2 LYS 79 1HZ LYS 79 -12.329 -21.194 3.902
643 HZ3 LYS 79 2HZ LYS 79 -11.156 -20.595 2.838
644 H ALA 80 H ALA 80 -15.916 -15.321 6.996
645 HA ALA 80 HA ALA 80 -18.644 -14.697 7.137
646 HB1 ALA 80 3HB ALA 80 -17.672 -16.424 9.422
647 HB2 ALA 80 1HB ALA 80 -18.862 -16.899 8.210
648 HB3 ALA 80 2HB ALA 80 -19.223 -15.592 9.336
649 H LEU 81 H LEU 81 -17.516 -12.710 6.938
650 HA LEU 81 HA LEU 81 -16.342 -11.765 9.457
651 HG LEU 81 HG LEU 81 -13.953 -12.184 9.190
652 HB2 LEU 81 2HB LEU 81 -15.344 -11.346 6.652
653 HB3 LEU 81 1HB LEU 81 -14.958 -10.211 7.926
654 HD11 LEU 81 1HD1 LEU 81 -13.236 -14.090 7.876
655 HD12 LEU 81 2HD1 LEU 81 -14.083 -13.455 6.463
656 HD13 LEU 81 3HD1 LEU 81 -14.996 -13.967 7.884
657 HD21 LEU 81 3HD2 LEU 81 -11.850 -12.044 7.936
658 HD22 LEU 81 1HD2 LEU 81 -12.604 -10.464 8.142
659 HD23 LEU 81 2HD2 LEU 81 -12.711 -11.295 6.590
660 H LYS 82 H LYS 82 -17.997 -10.587 10.207
661 HA LYS 82 HA LYS 82 -19.467 -8.730 8.582
662 HB2 LYS 82 2HB LYS 82 -20.308 -9.810 10.714
663 HB3 LYS 82 1HB LYS 82 -19.210 -8.760 11.598
664 HG2 LYS 82 2HG LYS 82 -20.378 -6.800 10.760
665 HG3 LYS 82 1HG LYS 82 -21.456 -7.834 9.816
666 HD2 LYS 82 2HD LYS 82 -22.210 -8.896 11.919
667 HD3 LYS 82 1HD LYS 82 -21.200 -7.764 12.820
668 HE2 LYS 82 2HE LYS 82 -23.504 -6.999 12.783
669 HE3 LYS 82 1HE LYS 82 -22.474 -5.892 11.877
670 HZ1 LYS 82 3HZ LYS 82 -23.262 -6.785 9.831
671 HZ2 LYS 82 1HZ LYS 82 -24.616 -6.422 10.784
672 HZ3 LYS 82 2HZ LYS 82 -24.106 -8.032 10.620
673 H VAL 83 H VAL 83 -19.356 -6.369 8.897
674 HA VAL 83 HA VAL 83 -16.938 -5.289 8.308
675 HB VAL 83 HB VAL 83 -18.977 -4.038 8.005
676 HG11 VAL 83 1HG1 VAL 83 -20.133 -2.940 9.872
677 HG12 VAL 83 2HG1 VAL 83 -19.071 -3.775 11.006
678 HG13 VAL 83 3HG1 VAL 83 -20.186 -4.698 10.001
679 HG21 VAL 83 3HG2 VAL 83 -16.941 -2.741 8.069
680 HG22 VAL 83 1HG2 VAL 83 -17.049 -2.600 9.825
681 HG23 VAL 83 2HG2 VAL 83 -18.256 -1.822 8.802
682 H THR 84 H THR 84 -18.258 -5.608 11.572
683 HA THR 84 HA THR 84 -16.207 -4.261 12.942
684 HB THR 84 HB THR 84 -17.855 -6.550 13.993
685 HG1 THR 84 HG1 THR 84 -18.565 -3.788 13.711
686 HG21 THR 84 3HG2 THR 84 -16.736 -4.078 15.333
687 HG22 THR 84 1HG2 THR 84 -16.111 -5.719 15.504
688 HG23 THR 84 2HG2 THR 84 -17.714 -5.317 16.118
689 H MET 85 H MET 85 -16.669 -7.635 12.070
690 HA MET 85 HA MET 85 -14.551 -8.763 13.508
691 HB2 MET 85 2HB MET 85 -15.829 -9.632 10.908
692 HB3 MET 85 1HB MET 85 -14.726 -10.627 11.847
693 HG2 MET 85 2HG MET 85 -16.274 -10.687 13.687
694 HG3 MET 85 1HG MET 85 -17.353 -9.561 12.864
695 HE1 MET 85 3HE MET 85 -18.320 -12.370 14.066
696 HE2 MET 85 1HE MET 85 -19.378 -12.915 12.763
697 HE3 MET 85 2HE MET 85 -19.384 -11.221 13.256
698 H ILE 86 H ILE 86 -14.708 -7.389 10.259
699 HA ILE 86 HA ILE 86 -12.166 -8.196 9.373
700 HB ILE 86 HB ILE 86 -13.790 -5.782 8.560
701 HG12 ILE 86 2HG1 ILE 86 -13.604 -7.828 6.569
702 HG13 ILE 86 1HG1 ILE 86 -14.122 -8.561 8.085
703 HG21 ILE 86 1HG2 ILE 86 -11.476 -5.410 7.970
704 HG22 ILE 86 2HG2 ILE 86 -12.409 -5.769 6.516
705 HG23 ILE 86 3HG2 ILE 86 -11.378 -7.008 7.231
706 HD11 ILE 86 3HD1 ILE 86 -15.965 -7.003 8.241
707 HD12 ILE 86 1HD1 ILE 86 -16.006 -7.869 6.701
708 HD13 ILE 86 2HD1 ILE 86 -15.432 -6.202 6.758
709 H GLN 87 H GLN 87 -13.218 -5.232 11.006
710 HA GLN 87 HA GLN 87 -10.768 -3.881 10.948
711 HB2 GLN 87 2HB GLN 87 -12.847 -2.764 11.550
712 HB3 GLN 87 1HB GLN 87 -12.986 -3.750 12.998
713 HG2 GLN 87 2HG GLN 87 -11.048 -2.710 13.959
714 HG3 GLN 87 1HG GLN 87 -10.733 -1.827 12.467
715 HE21 GLN 87 1HE2 GLN 87 -11.218 -0.878 15.209
716 HE22 GLN 87 2HE2 GLN 87 -12.553 0.220 15.085
717 H LYS 88 H LYS 88 -11.977 -6.396 13.064
718 HA LYS 88 HA LYS 88 -9.913 -6.054 15.029
719 HB2 LYS 88 2HB LYS 88 -11.894 -8.293 14.604
720 HB3 LYS 88 1HB LYS 88 -10.821 -8.151 15.992
721 HG2 LYS 88 2HG LYS 88 -11.884 -6.012 16.569
722 HG3 LYS 88 1HG LYS 88 -12.989 -6.217 15.208
723 HD2 LYS 88 2HD LYS 88 -13.844 -8.279 16.206
724 HD3 LYS 88 1HD LYS 88 -12.725 -8.090 17.559
725 HE2 LYS 88 2HE LYS 88 -14.941 -6.188 16.808
726 HE3 LYS 88 1HE LYS 88 -14.962 -7.326 18.155
727 HZ1 LYS 88 3HZ LYS 88 -13.027 -6.143 19.082
728 HZ2 LYS 88 1HZ LYS 88 -14.396 -5.146 18.945
729 HZ3 LYS 88 2HZ LYS 88 -13.131 -5.006 17.826
730 H TYR 89 H TYR 89 -9.965 -7.467 11.974
731 HA TYR 89 HA TYR 89 -7.738 -9.260 12.671
732 HD1 TYR 89 HD2 TYR 89 -8.523 -11.292 13.090
733 HD2 TYR 89 HD1 TYR 89 -11.404 -10.260 10.134
734 HE1 TYR 89 HE2 TYR 89 -10.126 -12.844 14.122
735 HE2 TYR 89 HE1 TYR 89 -13.015 -11.808 11.157
736 HH TYR 89 HH TYR 89 -12.491 -13.231 14.249
737 HB2 TYR 89 2HB TYR 89 -9.389 -9.154 10.140
738 HB3 TYR 89 1HB TYR 89 -8.077 -10.283 10.451
739 H ARG 90 H ARG 90 -8.413 -6.233 11.343
740 HA ARG 90 HA ARG 90 -5.872 -6.228 9.855
741 HE ARG 90 HE ARG 90 -8.739 -7.587 6.404
742 HB2 ARG 90 2HB ARG 90 -8.149 -4.256 9.622
743 HB3 ARG 90 1HB ARG 90 -6.711 -4.323 8.612
744 HG2 ARG 90 2HG ARG 90 -8.951 -6.327 8.738
745 HG3 ARG 90 1HG ARG 90 -8.516 -5.279 7.388
746 HD2 ARG 90 2HD ARG 90 -6.405 -6.460 7.124
747 HD3 ARG 90 1HD ARG 90 -6.776 -7.471 8.521
748 HH11 ARG 90 1HH1 ARG 90 -5.832 -8.983 7.760
749 HH12 ARG 90 2HH1 ARG 90 -5.962 -10.464 6.865
750 HH21 ARG 90 1HH2 ARG 90 -8.940 -9.551 5.247
751 HH22 ARG 90 2HH2 ARG 90 -7.744 -10.792 5.450
752 H GLN 91 H GLN 91 -7.802 -4.431 12.192
753 HA GLN 91 HA GLN 91 -5.444 -2.847 12.948
754 HB2 GLN 91 2HB GLN 91 -8.369 -2.537 13.684
755 HB3 GLN 91 1HB GLN 91 -7.074 -1.498 14.257
756 HG2 GLN 91 2HG GLN 91 -7.797 -1.844 11.355
757 HG3 GLN 91 1HG GLN 91 -8.402 -0.548 12.385
758 HE21 GLN 91 1HE2 GLN 91 -5.624 -1.865 10.773
759 HE22 GLN 91 2HE2 GLN 91 -4.630 -0.453 10.896
760 H LEU 92 H LEU 92 -5.852 -5.685 13.501
761 HA LEU 92 HA LEU 92 -6.851 -6.306 15.983
762 HG LEU 92 HG LEU 92 -3.322 -7.331 15.205
763 HB2 LEU 92 2HB LEU 92 -5.552 -8.321 15.916
764 HB3 LEU 92 1HB LEU 92 -6.135 -7.967 14.306
765 HD11 LEU 92 1HD1 LEU 92 -4.348 -9.778 13.777
766 HD12 LEU 92 2HD1 LEU 92 -3.673 -9.721 15.406
767 HD13 LEU 92 3HD1 LEU 92 -2.650 -9.366 14.015
768 HD21 LEU 92 3HD2 LEU 92 -2.864 -7.270 12.802
769 HD22 LEU 92 1HD2 LEU 92 -4.091 -6.086 13.250
770 HD23 LEU 92 2HD2 LEU 92 -4.564 -7.594 12.467
771 H HIS 93 H HIS 93 -3.511 -5.363 15.214
772 HA HIS 93 HA HIS 93 -1.702 -4.941 16.536
773 HD1 HIS 93 HD1 HIS 93 -2.893 -2.291 20.089
774 HD2 HIS 93 HD2 HIS 93 0.078 -3.071 17.284
775 HE1 HIS 93 HE1 HIS 93 -0.739 -1.514 21.139
776 HE2 HIS 93 HE2 HIS 93 1.057 -2.233 19.526
777 HB2 HIS 93 2HB HIS 93 -2.951 -2.815 16.649
778 HB3 HIS 93 1HB HIS 93 -3.798 -3.390 18.080
779 H HIS 94 H HIS 94 -1.692 -7.240 17.155
780 HA HIS 94 HA HIS 94 -2.487 -7.662 19.954
781 HD1 HIS 94 HD1 HIS 94 -3.612 -9.608 21.258
782 HD2 HIS 94 HD2 HIS 94 -1.589 -12.094 18.601
783 HE1 HIS 94 HE1 HIS 94 -3.236 -11.768 22.491
784 HE2 HIS 94 HE2 HIS 94 -2.086 -13.286 20.845
785 HB2 HIS 94 2HB HIS 94 -3.740 -9.090 18.443
786 HB3 HIS 94 1HB HIS 94 -2.254 -9.650 17.684
787 H HIS 95 H HIS 95 -0.972 -8.142 21.395
788 HA HIS 95 HA HIS 95 1.747 -8.670 20.430
789 HD1 HIS 95 HD1 HIS 95 3.912 -6.496 21.883
790 HD2 HIS 95 HD2 HIS 95 2.809 -9.755 24.223
791 HE1 HIS 95 HE1 HIS 95 6.029 -7.287 22.986
792 HE2 HIS 95 HE2 HIS 95 5.314 -9.160 24.517
793 HB2 HIS 95 2HB HIS 95 1.424 -6.787 22.026
794 HB3 HIS 95 1HB HIS 95 0.803 -7.929 23.213
Start of MODEL 9
1 HA MET 1 HA MET 1 13.876 10.247 7.567
2 H1 MET 1 1H MET 1 12.149 8.659 7.368
3 H2 MET 1 2H MET 1 11.604 10.097 6.656
4 H3 MET 1 3H MET 1 11.046 9.648 8.195
5 HB2 MET 1 2HB MET 1 12.471 12.253 7.293
6 HB3 MET 1 1HB MET 1 11.778 11.988 8.885
7 HG2 MET 1 2HG MET 1 13.986 12.315 9.894
8 HG3 MET 1 1HG MET 1 14.662 12.615 8.295
9 HE1 MET 1 3HE MET 1 14.949 14.623 10.798
10 HE2 MET 1 1HE MET 1 14.727 16.154 9.953
11 HE3 MET 1 2HE MET 1 15.677 14.868 9.208
12 H TYR 2 H TYR 2 15.256 9.902 9.265
13 HA TYR 2 HA TYR 2 14.080 8.715 11.663
14 HD1 TYR 2 HD2 TYR 2 14.609 6.255 11.959
15 HD2 TYR 2 HD1 TYR 2 17.130 7.612 8.812
16 HE1 TYR 2 HE2 TYR 2 14.171 4.179 10.723
17 HE2 TYR 2 HE1 TYR 2 16.695 5.534 7.566
18 HH TYR 2 HH TYR 2 15.986 3.180 8.089
19 HB2 TYR 2 2HB TYR 2 16.956 8.893 10.758
20 HB3 TYR 2 1HB TYR 2 16.413 8.116 12.247
21 H LEU 3 H LEU 3 13.295 10.301 12.814
22 HA LEU 3 HA LEU 3 15.149 12.226 13.997
23 HG LEU 3 HG LEU 3 13.196 14.370 14.798
24 HB2 LEU 3 2HB LEU 3 13.974 13.318 12.079
25 HB3 LEU 3 1HB LEU 3 12.442 12.950 12.847
26 HD11 LEU 3 1HD1 LEU 3 15.592 14.336 14.344
27 HD12 LEU 3 2HD1 LEU 3 14.972 15.988 14.383
28 HD13 LEU 3 3HD1 LEU 3 15.323 15.213 12.837
29 HD21 LEU 3 3HD2 LEU 3 12.682 16.479 13.657
30 HD22 LEU 3 1HD2 LEU 3 11.600 15.176 13.159
31 HD23 LEU 3 2HD2 LEU 3 12.916 15.681 12.100
32 H LYS 4 H LYS 4 14.495 12.863 16.115
33 HA LYS 4 HA LYS 4 13.040 10.988 17.588
34 HB2 LYS 4 2HB LYS 4 13.151 12.492 19.457
35 HB3 LYS 4 1HB LYS 4 14.673 12.555 18.587
36 HG2 LYS 4 2HG LYS 4 13.992 14.672 17.557
37 HG3 LYS 4 1HG LYS 4 12.468 14.607 18.453
38 HD2 LYS 4 2HD LYS 4 13.776 14.553 20.564
39 HD3 LYS 4 1HD LYS 4 15.249 14.764 19.617
40 HE2 LYS 4 2HE LYS 4 14.374 16.905 18.774
41 HE3 LYS 4 1HE LYS 4 12.933 16.691 19.766
42 HZ1 LYS 4 3HZ LYS 4 15.722 17.083 20.699
43 HZ2 LYS 4 1HZ LYS 4 14.463 16.600 21.723
44 HZ3 LYS 4 2HZ LYS 4 14.391 18.104 20.945
45 H ARG 5 H ARG 5 11.966 13.778 15.819
46 HA ARG 5 HA ARG 5 9.199 13.198 16.603
47 HE ARG 5 HE ARG 5 9.171 17.545 16.662
48 HB2 ARG 5 2HB ARG 5 9.897 15.584 16.534
49 HB3 ARG 5 1HB ARG 5 10.260 15.410 14.822
50 HG2 ARG 5 2HG ARG 5 7.900 14.858 14.404
51 HG3 ARG 5 1HG ARG 5 7.560 15.109 16.116
52 HD2 ARG 5 2HD ARG 5 8.664 17.185 14.228
53 HD3 ARG 5 1HD ARG 5 6.982 17.066 14.738
54 HH11 ARG 5 1HH1 ARG 5 6.032 18.340 15.309
55 HH12 ARG 5 2HH1 ARG 5 5.713 19.598 16.469
56 HH21 ARG 5 1HH2 ARG 5 8.762 19.196 18.181
57 HH22 ARG 5 2HH2 ARG 5 7.266 20.082 18.114
58 H VAL 6 H VAL 6 8.710 11.342 15.568
59 HA VAL 6 HA VAL 6 9.966 10.655 13.085
60 HB VAL 6 HB VAL 6 9.540 9.014 14.902
61 HG11 VAL 6 1HG1 VAL 6 6.665 9.220 14.029
62 HG12 VAL 6 2HG1 VAL 6 7.324 9.752 15.575
63 HG13 VAL 6 3HG1 VAL 6 7.320 8.037 15.160
64 HG21 VAL 6 3HG2 VAL 6 8.938 7.167 13.452
65 HG22 VAL 6 1HG2 VAL 6 9.993 8.295 12.600
66 HG23 VAL 6 2HG2 VAL 6 8.261 8.288 12.270
67 H ASP 7 H ASP 7 9.088 10.404 11.066
68 HA ASP 7 HA ASP 7 6.507 11.706 10.616
69 HB2 ASP 7 2HB ASP 7 7.152 11.978 8.346
70 HB3 ASP 7 1HB ASP 7 8.593 12.331 9.289
71 H GLY 8 H GLY 8 7.910 8.638 10.821
72 HA2 GLY 8 2HA GLY 8 5.642 7.142 10.814
73 HA3 GLY 8 1HA GLY 8 6.076 7.233 9.112
74 HA PRO 9 HA PRO 9 8.707 4.090 11.774
75 HB2 PRO 9 2HB PRO 9 6.711 2.084 10.901
76 HB3 PRO 9 1HB PRO 9 7.501 2.271 12.469
77 HG2 PRO 9 2HG PRO 9 4.928 2.913 12.127
78 HG3 PRO 9 1HG PRO 9 5.982 3.857 13.195
79 HD2 PRO 9 2HD PRO 9 5.027 4.486 10.432
80 HD3 PRO 9 1HD PRO 9 5.244 5.566 11.825
81 H ARG 10 H ARG 10 10.219 2.792 10.696
82 HA ARG 10 HA ARG 10 10.284 3.179 7.860
83 HE ARG 10 HE ARG 10 13.453 -1.166 10.477
84 HB2 ARG 10 2HB ARG 10 12.442 2.257 7.871
85 HB3 ARG 10 1HB ARG 10 12.310 3.057 9.433
86 HG2 ARG 10 2HG ARG 10 12.102 1.041 10.582
87 HG3 ARG 10 1HG ARG 10 11.699 0.146 9.117
88 HD2 ARG 10 2HD ARG 10 14.035 0.678 8.302
89 HD3 ARG 10 1HD ARG 10 14.377 1.259 9.935
90 HH11 ARG 10 1HH1 ARG 10 15.817 -0.134 8.087
91 HH12 ARG 10 2HH1 ARG 10 16.591 -1.688 8.012
92 HH21 ARG 10 1HH2 ARG 10 14.484 -3.196 10.362
93 HH22 ARG 10 2HH2 ARG 10 15.842 -3.417 9.308
94 H GLN 11 H GLN 11 9.251 0.588 9.949
95 HA GLN 11 HA GLN 11 8.236 -0.848 7.655
96 HB2 GLN 11 2HB GLN 11 9.311 -2.963 8.170
97 HB3 GLN 11 1HB GLN 11 10.523 -1.731 7.848
98 HG2 GLN 11 2HG GLN 11 10.902 -1.468 10.243
99 HG3 GLN 11 1HG GLN 11 9.673 -2.690 10.572
100 HE21 GLN 11 1HE2 GLN 11 11.085 -4.060 11.601
101 HE22 GLN 11 2HE2 GLN 11 12.329 -4.934 10.773
102 H VAL 12 H VAL 12 6.532 -2.130 8.079
103 HA VAL 12 HA VAL 12 5.688 -2.374 10.890
104 HB VAL 12 HB VAL 12 3.353 -2.501 10.029
105 HG11 VAL 12 1HG1 VAL 12 4.253 -0.409 10.923
106 HG12 VAL 12 2HG1 VAL 12 3.088 -0.115 9.632
107 HG13 VAL 12 3HG1 VAL 12 4.816 0.037 9.312
108 HG21 VAL 12 3HG2 VAL 12 4.615 -1.669 7.419
109 HG22 VAL 12 1HG2 VAL 12 2.884 -1.692 7.756
110 HG23 VAL 12 2HG2 VAL 12 3.800 -3.198 7.749
111 H THR 13 H THR 13 4.437 -4.313 11.383
112 HA THR 13 HA THR 13 5.541 -6.590 9.905
113 HB THR 13 HB THR 13 4.196 -6.635 12.612
114 HG1 THR 13 HG1 THR 13 6.417 -5.398 12.045
115 HG21 THR 13 3HG2 THR 13 5.447 -8.719 12.901
116 HG22 THR 13 1HG2 THR 13 6.132 -8.542 11.287
117 HG23 THR 13 2HG2 THR 13 4.400 -8.808 11.484
118 H LEU 14 H LEU 14 4.267 -8.137 8.989
119 HA LEU 14 HA LEU 14 1.416 -7.534 8.760
120 HG LEU 14 HG LEU 14 2.448 -8.292 5.246
121 HB2 LEU 14 2HB LEU 14 3.241 -9.438 7.291
122 HB3 LEU 14 1HB LEU 14 1.504 -9.468 7.090
123 HD11 LEU 14 1HD1 LEU 14 0.367 -7.404 6.099
124 HD12 LEU 14 2HD1 LEU 14 1.375 -6.120 5.428
125 HD13 LEU 14 3HD1 LEU 14 1.253 -6.326 7.176
126 HD21 LEU 14 3HD2 LEU 14 4.593 -7.688 6.197
127 HD22 LEU 14 1HD2 LEU 14 3.812 -6.512 7.254
128 HD23 LEU 14 2HD2 LEU 14 3.797 -6.275 5.507
129 HA PRO 15 HA PRO 15 0.222 -10.827 11.548
130 HB2 PRO 15 2HB PRO 15 -2.067 -11.288 9.739
131 HB3 PRO 15 1HB PRO 15 -2.065 -10.830 11.442
132 HG2 PRO 15 2HG PRO 15 -2.754 -9.087 9.522
133 HG3 PRO 15 1HG PRO 15 -1.872 -8.574 10.973
134 HD2 PRO 15 2HD PRO 15 -0.847 -9.060 8.201
135 HD3 PRO 15 1HD PRO 15 -0.418 -7.776 9.351
136 H ASP 16 H ASP 16 0.640 -11.111 8.167
137 HA ASP 16 HA ASP 16 0.480 -13.962 7.960
138 HB2 ASP 16 2HB ASP 16 1.879 -12.035 6.095
139 HB3 ASP 16 1HB ASP 16 1.294 -13.647 5.711
140 H GLY 17 H GLY 17 2.728 -11.854 9.285
141 HA2 GLY 17 2HA GLY 17 4.721 -12.504 10.351
142 HA3 GLY 17 1HA GLY 17 4.785 -13.931 9.329
143 H THR 18 H THR 18 4.033 -11.511 7.317
144 HA THR 18 HA THR 18 6.692 -11.328 6.237
145 HB THR 18 HB THR 18 4.208 -9.872 5.322
146 HG1 THR 18 HG1 THR 18 5.100 -12.534 4.830
147 HG21 THR 18 3HG2 THR 18 6.679 -10.772 3.841
148 HG22 THR 18 1HG2 THR 18 6.254 -9.108 4.247
149 HG23 THR 18 2HG2 THR 18 5.266 -10.018 3.103
150 H VAL 19 H VAL 19 7.624 -9.175 5.651
151 HA VAL 19 HA VAL 19 7.017 -7.139 7.699
152 HB VAL 19 HB VAL 19 9.719 -7.773 6.486
153 HG11 VAL 19 1HG1 VAL 19 10.594 -6.106 8.064
154 HG12 VAL 19 2HG1 VAL 19 8.946 -5.719 8.559
155 HG13 VAL 19 3HG1 VAL 19 9.473 -5.386 6.907
156 HG21 VAL 19 3HG2 VAL 19 9.031 -9.440 8.124
157 HG22 VAL 19 1HG2 VAL 19 8.692 -8.165 9.296
158 HG23 VAL 19 2HG2 VAL 19 10.347 -8.452 8.758
159 H LEU 20 H LEU 20 6.352 -5.264 6.907
160 HA LEU 20 HA LEU 20 6.867 -4.692 4.063
161 HG LEU 20 HG LEU 20 4.948 -2.096 4.283
162 HB2 LEU 20 2HB LEU 20 4.533 -5.077 4.449
163 HB3 LEU 20 1HB LEU 20 4.517 -3.991 5.824
164 HD11 LEU 20 1HD1 LEU 20 4.685 -2.421 1.888
165 HD12 LEU 20 2HD1 LEU 20 4.522 -4.159 2.125
166 HD13 LEU 20 3HD1 LEU 20 6.053 -3.360 2.490
167 HD21 LEU 20 3HD2 LEU 20 2.536 -3.792 3.648
168 HD22 LEU 20 1HD2 LEU 20 2.695 -2.064 3.326
169 HD23 LEU 20 2HD2 LEU 20 2.687 -2.656 4.987
170 H SER 21 H SER 21 8.409 -3.209 3.879
171 HA SER 21 HA SER 21 8.584 -1.130 5.941
172 HG SER 21 HG SER 21 10.570 -3.387 3.899
173 HB2 SER 21 2HB SER 21 10.965 -0.890 5.167
174 HB3 SER 21 1HB SER 21 10.588 -2.452 5.890
175 H ARG 22 H ARG 22 9.459 0.974 5.174
176 HA ARG 22 HA ARG 22 7.793 2.076 3.198
177 HE ARG 22 HE ARG 22 9.020 5.953 4.493
178 HB2 ARG 22 2HB ARG 22 10.330 3.167 4.425
179 HB3 ARG 22 1HB ARG 22 9.191 4.108 3.473
180 HG2 ARG 22 2HG ARG 22 7.481 3.827 5.117
181 HG3 ARG 22 1HG ARG 22 8.472 2.680 6.020
182 HD2 ARG 22 2HD ARG 22 8.534 4.812 7.129
183 HD3 ARG 22 1HD ARG 22 10.117 4.487 6.425
184 HH11 ARG 22 1HH1 ARG 22 9.044 6.460 7.974
185 HH12 ARG 22 2HH1 ARG 22 8.943 8.191 7.847
186 HH21 ARG 22 1HH2 ARG 22 8.877 8.216 4.334
187 HH22 ARG 22 2HH2 ARG 22 8.811 9.187 5.779
188 H ALA 23 H ALA 23 10.819 0.483 2.956
189 HA ALA 23 HA ALA 23 11.276 1.501 0.244
190 HB1 ALA 23 3HB ALA 23 13.062 -0.220 1.963
191 HB2 ALA 23 1HB ALA 23 13.191 1.531 1.785
192 HB3 ALA 23 2HB ALA 23 13.477 0.480 0.398
193 H ASP 24 H ASP 24 9.598 -0.922 1.700
194 HA ASP 24 HA ASP 24 10.243 -2.957 -0.303
195 HB2 ASP 24 2HB ASP 24 10.063 -3.597 2.115
196 HB3 ASP 24 1HB ASP 24 8.354 -3.182 2.047
197 H LEU 25 H LEU 25 7.980 -0.512 0.398
198 HA LEU 25 HA LEU 25 5.653 -1.336 -0.805
199 HG LEU 25 HG LEU 25 6.021 0.553 1.352
200 HB2 LEU 25 2HB LEU 25 7.033 1.339 -0.805
201 HB3 LEU 25 1HB LEU 25 5.471 1.106 -1.568
202 HD11 LEU 25 1HD1 LEU 25 4.818 2.629 1.790
203 HD12 LEU 25 2HD1 LEU 25 4.710 2.941 0.060
204 HD13 LEU 25 3HD1 LEU 25 6.283 2.929 0.856
205 HD21 LEU 25 3HD2 LEU 25 3.593 0.474 1.535
206 HD22 LEU 25 1HD2 LEU 25 4.166 -0.726 0.379
207 HD23 LEU 25 2HD2 LEU 25 3.438 0.772 -0.196
208 HA PRO 26 HA PRO 26 6.587 -2.434 -4.935
209 HB2 PRO 26 2HB PRO 26 4.227 -1.594 -6.127
210 HB3 PRO 26 1HB PRO 26 4.454 -3.140 -5.305
211 HG2 PRO 26 2HG PRO 26 3.218 -0.618 -4.297
212 HG3 PRO 26 1HG PRO 26 2.744 -2.304 -4.010
213 HD2 PRO 26 2HD PRO 26 4.057 -0.866 -2.161
214 HD3 PRO 26 1HD PRO 26 4.345 -2.606 -2.373
215 HA PRO 27 HA PRO 27 8.261 1.158 -6.820
216 HB2 PRO 27 2HB PRO 27 8.497 0.270 -9.392
217 HB3 PRO 27 1HB PRO 27 9.590 -0.204 -8.087
218 HG2 PRO 27 2HG PRO 27 7.244 -1.673 -9.226
219 HG3 PRO 27 1HG PRO 27 8.840 -2.296 -8.766
220 HD2 PRO 27 2HD PRO 27 6.677 -2.593 -7.186
221 HD3 PRO 27 1HD PRO 27 8.306 -2.356 -6.518
222 H LEU 28 H LEU 28 7.766 2.892 -8.164
223 HA LEU 28 HA LEU 28 4.989 3.379 -8.570
224 HG LEU 28 HG LEU 28 7.557 4.718 -7.179
225 HB2 LEU 28 2HB LEU 28 7.320 4.970 -9.650
226 HB3 LEU 28 1HB LEU 28 5.681 5.539 -9.402
227 HD11 LEU 28 1HD1 LEU 28 8.356 6.724 -8.307
228 HD12 LEU 28 2HD1 LEU 28 7.720 7.111 -6.707
229 HD13 LEU 28 3HD1 LEU 28 6.762 7.461 -8.146
230 HD21 LEU 28 3HD2 LEU 28 4.873 6.092 -7.127
231 HD22 LEU 28 1HD2 LEU 28 5.900 5.780 -5.727
232 HD23 LEU 28 2HD2 LEU 28 5.197 4.433 -6.625
233 H ASP 29 H ASP 29 7.422 1.938 -10.420
234 HA ASP 29 HA ASP 29 6.592 2.537 -13.052
235 HB2 ASP 29 2HB ASP 29 8.010 0.054 -12.063
236 HB3 ASP 29 1HB ASP 29 7.969 0.635 -13.723
237 H THR 30 H THR 30 5.351 0.447 -10.635
238 HA THR 30 HA THR 30 4.088 -1.391 -12.453
239 HB THR 30 HB THR 30 3.647 -1.000 -9.486
240 HG1 THR 30 HG1 THR 30 5.743 -1.936 -10.769
241 HG21 THR 30 3HG2 THR 30 2.934 -3.312 -11.295
242 HG22 THR 30 1HG2 THR 30 1.791 -2.162 -10.597
243 HG23 THR 30 2HG2 THR 30 2.700 -3.251 -9.548
244 H ARG 31 H ARG 31 2.585 -0.538 -13.737
245 HA ARG 31 HA ARG 31 0.401 0.892 -12.423
246 HE ARG 31 HE ARG 31 -2.650 3.332 -13.759
247 HB2 ARG 31 2HB ARG 31 1.524 1.821 -14.543
248 HB3 ARG 31 1HB ARG 31 0.663 0.545 -15.399
249 HG2 ARG 31 2HG ARG 31 -0.615 2.572 -15.503
250 HG3 ARG 31 1HG ARG 31 -1.454 1.406 -14.479
251 HD2 ARG 31 2HD ARG 31 -0.221 2.550 -12.533
252 HD3 ARG 31 1HD ARG 31 0.071 3.856 -13.674
253 HH11 ARG 31 1HH1 ARG 31 -0.302 4.317 -11.353
254 HH12 ARG 31 2HH1 ARG 31 -1.420 5.308 -10.470
255 HH21 ARG 31 1HH2 ARG 31 -4.153 4.586 -12.573
256 HH22 ARG 31 2HH2 ARG 31 -3.633 5.446 -11.160
257 H ARG 32 H ARG 32 1.157 -1.951 -14.373
258 HA ARG 32 HA ARG 32 -1.522 -2.961 -14.134
259 HE ARG 32 HE ARG 32 3.775 -5.512 -15.406
260 HB2 ARG 32 2HB ARG 32 -0.588 -5.091 -15.008
261 HB3 ARG 32 1HB ARG 32 -0.247 -3.713 -16.041
262 HG2 ARG 32 2HG ARG 32 2.023 -3.633 -15.286
263 HG3 ARG 32 1HG ARG 32 1.708 -4.872 -14.069
264 HD2 ARG 32 2HD ARG 32 1.131 -6.446 -15.901
265 HD3 ARG 32 1HD ARG 32 1.602 -5.206 -17.062
266 HH11 ARG 32 1HH1 ARG 32 1.874 -7.630 -17.454
267 HH12 ARG 32 2HH1 ARG 32 3.219 -8.661 -17.846
268 HH21 ARG 32 1HH2 ARG 32 5.548 -6.846 -15.930
269 HH22 ARG 32 2HH2 ARG 32 5.313 -8.201 -16.996
270 H TRP 33 H TRP 33 -1.751 -2.597 -11.926
271 HA TRP 33 HA TRP 33 -0.069 -3.680 -9.943
272 HD1 TRP 33 HD1 TRP 33 -2.093 -0.319 -10.893
273 HE1 TRP 33 HE1 TRP 33 -0.668 1.580 -9.900
274 HE3 TRP 33 HE3 TRP 33 -0.133 -2.801 -6.889
275 HZ2 TRP 33 HZ2 TRP 33 1.051 1.966 -7.699
276 HZ3 TRP 33 HZ3 TRP 33 1.381 -1.598 -5.383
277 HH2 TRP 33 HH2 TRP 33 1.966 0.737 -5.782
278 HB2 TRP 33 2HB TRP 33 -2.895 -2.656 -9.901
279 HB3 TRP 33 1HB TRP 33 -2.091 -3.244 -8.448
280 H VAL 34 H VAL 34 0.206 -5.700 -9.357
281 HA VAL 34 HA VAL 34 -1.883 -7.667 -9.838
282 HB VAL 34 HB VAL 34 -0.258 -9.341 -9.127
283 HG11 VAL 34 1HG1 VAL 34 1.434 -9.008 -10.884
284 HG12 VAL 34 2HG1 VAL 34 0.898 -7.337 -11.061
285 HG13 VAL 34 3HG1 VAL 34 -0.198 -8.662 -11.448
286 HG21 VAL 34 3HG2 VAL 34 1.612 -7.030 -8.612
287 HG22 VAL 34 1HG2 VAL 34 2.023 -8.744 -8.515
288 HG23 VAL 34 2HG2 VAL 34 0.866 -8.049 -7.379
289 H ALA 35 H ALA 35 -2.458 -9.170 -8.048
290 HA ALA 35 HA ALA 35 -3.682 -7.754 -6.000
291 HB1 ALA 35 3HB ALA 35 -4.407 -9.963 -6.745
292 HB2 ALA 35 1HB ALA 35 -4.184 -9.913 -4.996
293 HB3 ALA 35 2HB ALA 35 -2.971 -10.685 -6.015
294 H SER 36 H SER 36 -0.595 -9.475 -5.960
295 HA SER 36 HA SER 36 -0.106 -9.388 -3.212
296 HG SER 36 HG SER 36 1.545 -11.725 -4.580
297 HB2 SER 36 2HB SER 36 1.977 -9.245 -5.397
298 HB3 SER 36 1HB SER 36 2.173 -9.903 -3.770
299 H ARG 37 H ARG 37 0.569 -7.014 -5.744
300 HA ARG 37 HA ARG 37 2.136 -5.378 -3.953
301 HE ARG 37 HE ARG 37 5.392 -6.702 -7.088
302 HB2 ARG 37 2HB ARG 37 1.249 -4.850 -6.793
303 HB3 ARG 37 1HB ARG 37 2.401 -3.878 -5.878
304 HG2 ARG 37 2HG ARG 37 3.729 -6.035 -5.603
305 HG3 ARG 37 1HG ARG 37 2.700 -6.688 -6.871
306 HD2 ARG 37 2HD ARG 37 3.472 -5.053 -8.432
307 HD3 ARG 37 1HD ARG 37 4.346 -4.184 -7.168
308 HH11 ARG 37 1HH1 ARG 37 5.051 -4.278 -9.607
309 HH12 ARG 37 2HH1 ARG 37 6.443 -4.832 -10.490
310 HH21 ARG 37 1HH2 ARG 37 7.241 -7.384 -8.229
311 HH22 ARG 37 2HH2 ARG 37 7.695 -6.577 -9.695
312 H LYS 38 H LYS 38 -1.110 -5.386 -5.273
313 HA LYS 38 HA LYS 38 -1.899 -2.855 -4.309
314 HB2 LYS 38 2HB LYS 38 -3.469 -5.379 -4.832
315 HB3 LYS 38 1HB LYS 38 -4.227 -3.899 -4.260
316 HG2 LYS 38 2HG LYS 38 -3.266 -2.749 -6.271
317 HG3 LYS 38 1HG LYS 38 -2.795 -4.343 -6.864
318 HD2 LYS 38 2HD LYS 38 -5.072 -5.063 -6.940
319 HD3 LYS 38 1HD LYS 38 -5.618 -3.612 -6.101
320 HE2 LYS 38 2HE LYS 38 -4.870 -2.252 -7.999
321 HE3 LYS 38 1HE LYS 38 -4.368 -3.714 -8.842
322 HZ1 LYS 38 3HZ LYS 38 -7.153 -3.225 -7.950
323 HZ2 LYS 38 1HZ LYS 38 -6.599 -4.443 -8.994
324 HZ3 LYS 38 2HZ LYS 38 -6.586 -2.817 -9.495
325 H ALA 39 H ALA 39 -1.881 -6.067 -2.861
326 HA ALA 39 HA ALA 39 -3.096 -5.414 -0.421
327 HB1 ALA 39 3HB ALA 39 -1.034 -7.544 -0.968
328 HB2 ALA 39 1HB ALA 39 -2.777 -7.715 -1.183
329 HB3 ALA 39 2HB ALA 39 -2.106 -7.470 0.429
330 H ALA 40 H ALA 40 0.256 -5.212 -1.490
331 HA ALA 40 HA ALA 40 1.429 -4.699 1.009
332 HB1 ALA 40 3HB ALA 40 2.708 -5.305 -1.011
333 HB2 ALA 40 1HB ALA 40 3.334 -3.858 -0.224
334 HB3 ALA 40 2HB ALA 40 2.360 -3.714 -1.686
335 H VAL 41 H VAL 41 0.211 -2.469 -1.481
336 HA VAL 41 HA VAL 41 0.943 -0.097 -0.147
337 HB VAL 41 HB VAL 41 -1.290 -0.516 -2.137
338 HG11 VAL 41 1HG1 VAL 41 0.101 2.016 -1.270
339 HG12 VAL 41 2HG1 VAL 41 -1.569 1.571 -0.917
340 HG13 VAL 41 3HG1 VAL 41 -1.072 1.887 -2.580
341 HG21 VAL 41 3HG2 VAL 41 1.565 0.354 -2.543
342 HG22 VAL 41 1HG2 VAL 41 0.324 0.268 -3.793
343 HG23 VAL 41 2HG2 VAL 41 0.879 -1.204 -3.001
344 H VAL 42 H VAL 42 -2.138 -1.877 -0.223
345 HA VAL 42 HA VAL 42 -3.510 0.015 1.370
346 HB VAL 42 HB VAL 42 -4.686 -1.557 -0.113
347 HG11 VAL 42 1HG1 VAL 42 -5.112 -3.858 0.615
348 HG12 VAL 42 2HG1 VAL 42 -3.963 -3.643 1.935
349 HG13 VAL 42 3HG1 VAL 42 -3.408 -3.575 0.264
350 HG21 VAL 42 3HG2 VAL 42 -6.544 -2.057 1.403
351 HG22 VAL 42 1HG2 VAL 42 -5.903 -0.433 1.651
352 HG23 VAL 42 2HG2 VAL 42 -5.496 -1.722 2.784
353 H LYS 43 H LYS 43 -1.766 -2.970 2.191
354 HA LYS 43 HA LYS 43 -2.547 -2.926 4.933
355 HB2 LYS 43 2HB LYS 43 -0.281 -4.328 3.514
356 HB3 LYS 43 1HB LYS 43 -0.592 -4.515 5.236
357 HG2 LYS 43 2HG LYS 43 -2.832 -5.388 4.719
358 HG3 LYS 43 1HG LYS 43 -2.484 -5.231 2.996
359 HD2 LYS 43 2HD LYS 43 -0.579 -6.781 3.272
360 HD3 LYS 43 1HD LYS 43 -1.009 -6.974 4.970
361 HE2 LYS 43 2HE LYS 43 -3.196 -7.871 4.301
362 HE3 LYS 43 1HE LYS 43 -2.742 -7.701 2.608
363 HZ1 LYS 43 3HZ LYS 43 -1.445 -9.471 4.612
364 HZ2 LYS 43 1HZ LYS 43 -0.890 -9.249 3.026
365 HZ3 LYS 43 2HZ LYS 43 -2.404 -9.961 3.306
366 H ALA 44 H ALA 44 -0.098 -1.309 3.099
367 HA ALA 44 HA ALA 44 1.638 -0.595 5.201
368 HB1 ALA 44 3HB ALA 44 2.424 1.179 3.724
369 HB2 ALA 44 1HB ALA 44 1.023 0.950 2.680
370 HB3 ALA 44 2HB ALA 44 2.230 -0.328 2.831
371 H VAL 45 H VAL 45 -1.125 1.120 3.767
372 HA VAL 45 HA VAL 45 -1.079 3.294 5.578
373 HB VAL 45 HB VAL 45 -3.426 2.186 4.020
374 HG11 VAL 45 1HG1 VAL 45 -4.371 4.442 4.251
375 HG12 VAL 45 2HG1 VAL 45 -3.024 4.890 5.295
376 HG13 VAL 45 3HG1 VAL 45 -4.164 3.647 5.811
377 HG21 VAL 45 3HG2 VAL 45 -1.473 4.374 3.302
378 HG22 VAL 45 1HG2 VAL 45 -2.893 3.906 2.366
379 HG23 VAL 45 2HG2 VAL 45 -1.557 2.773 2.566
380 H ILE 46 H ILE 46 -2.818 0.237 5.519
381 HA ILE 46 HA ILE 46 -4.466 0.628 7.733
382 HB ILE 46 HB ILE 46 -3.372 -1.862 6.450
383 HG12 ILE 46 2HG1 ILE 46 -6.137 -0.632 6.536
384 HG13 ILE 46 1HG1 ILE 46 -5.004 -0.497 5.196
385 HG21 ILE 46 1HG2 ILE 46 -4.986 -3.161 7.770
386 HG22 ILE 46 2HG2 ILE 46 -5.349 -1.717 8.719
387 HG23 ILE 46 3HG2 ILE 46 -3.735 -2.425 8.772
388 HD11 ILE 46 3HD1 ILE 46 -5.111 -2.937 4.898
389 HD12 ILE 46 1HD1 ILE 46 -6.678 -2.152 4.700
390 HD13 ILE 46 2HD1 ILE 46 -6.309 -3.019 6.191
391 H HIS 47 H HIS 47 -1.152 -0.667 7.590
392 HA HIS 47 HA HIS 47 -1.213 -1.218 10.438
393 HD1 HIS 47 HD1 HIS 47 -0.987 -3.514 11.063
394 HD2 HIS 47 HD2 HIS 47 0.369 -3.993 7.158
395 HE1 HIS 47 HE1 HIS 47 -1.765 -5.795 10.349
396 HE2 HIS 47 HE2 HIS 47 -1.090 -5.985 7.934
397 HB2 HIS 47 2HB HIS 47 0.899 -1.636 8.335
398 HB3 HIS 47 1HB HIS 47 1.205 -1.914 10.046
399 H GLY 48 H GLY 48 -0.768 1.528 8.701
400 HA2 GLY 48 2HA GLY 48 -0.305 3.615 9.637
401 HA3 GLY 48 1HA GLY 48 0.395 2.808 11.029
402 H LEU 49 H LEU 49 1.535 1.663 8.039
403 HA LEU 49 HA LEU 49 4.184 2.590 8.493
404 HG LEU 49 HG LEU 49 5.167 2.491 5.597
405 HB2 LEU 49 2HB LEU 49 3.662 0.498 7.288
406 HB3 LEU 49 1HB LEU 49 2.930 1.431 5.998
407 HD11 LEU 49 1HD1 LEU 49 7.134 1.315 6.488
408 HD12 LEU 49 2HD1 LEU 49 6.073 0.353 7.518
409 HD13 LEU 49 3HD1 LEU 49 6.186 2.099 7.751
410 HD21 LEU 49 3HD2 LEU 49 5.021 -0.505 5.331
411 HD22 LEU 49 1HD2 LEU 49 6.074 0.569 4.412
412 HD23 LEU 49 2HD2 LEU 49 4.323 0.667 4.215
413 H ILE 50 H ILE 50 1.760 3.347 6.023
414 HA ILE 50 HA ILE 50 2.865 6.069 5.855
415 HB ILE 50 HB ILE 50 2.386 6.157 3.469
416 HG12 ILE 50 2HG1 ILE 50 1.759 3.206 3.558
417 HG13 ILE 50 1HG1 ILE 50 0.507 4.443 3.629
418 HG21 ILE 50 1HG2 ILE 50 4.073 3.752 4.166
419 HG22 ILE 50 2HG2 ILE 50 4.618 5.428 4.116
420 HG23 ILE 50 3HG2 ILE 50 4.112 4.621 2.633
421 HD11 ILE 50 3HD1 ILE 50 1.155 5.267 1.456
422 HD12 ILE 50 1HD1 ILE 50 0.810 3.539 1.376
423 HD13 ILE 50 2HD1 ILE 50 2.481 4.105 1.383
424 H THR 51 H THR 51 1.200 7.590 4.882
425 HA THR 51 HA THR 51 -1.424 6.954 5.984
426 HB THR 51 HB THR 51 -0.404 9.081 6.648
427 HG1 THR 51 HG1 THR 51 -2.227 10.254 6.418
428 HG21 THR 51 3HG2 THR 51 0.861 9.505 4.554
429 HG22 THR 51 1HG2 THR 51 -0.064 10.901 5.107
430 HG23 THR 51 2HG2 THR 51 -0.655 9.928 3.766
431 H GLU 52 H GLU 52 -3.368 7.581 4.687
432 HA GLU 52 HA GLU 52 -3.338 6.106 2.281
433 HB2 GLU 52 2HB GLU 52 -5.290 6.451 3.871
434 HB3 GLU 52 1HB GLU 52 -5.500 8.031 3.130
435 HG2 GLU 52 2HG GLU 52 -5.828 6.944 0.951
436 HG3 GLU 52 1HG GLU 52 -5.660 5.373 1.727
437 H ARG 53 H ARG 53 -3.545 9.573 2.943
438 HA ARG 53 HA ARG 53 -3.749 10.600 0.374
439 HE ARG 53 HE ARG 53 -6.334 12.073 0.497
440 HB2 ARG 53 2HB ARG 53 -2.239 11.639 2.782
441 HB3 ARG 53 1HB ARG 53 -2.427 12.564 1.303
442 HG2 ARG 53 2HG ARG 53 -4.869 11.514 2.626
443 HG3 ARG 53 1HG ARG 53 -4.039 12.890 3.352
444 HD2 ARG 53 2HD ARG 53 -5.630 13.849 1.928
445 HD3 ARG 53 1HD ARG 53 -4.118 13.941 1.029
446 HH11 ARG 53 1HH1 ARG 53 -3.337 13.595 -0.488
447 HH12 ARG 53 2HH1 ARG 53 -3.463 13.080 -2.140
448 HH21 ARG 53 1HH2 ARG 53 -6.558 11.464 -1.668
449 HH22 ARG 53 2HH2 ARG 53 -5.341 11.905 -2.832
450 H GLU 54 H GLU 54 -0.917 9.490 2.128
451 HA GLU 54 HA GLU 54 1.072 10.238 0.303
452 HB2 GLU 54 2HB GLU 54 1.658 9.590 2.545
453 HB3 GLU 54 1HB GLU 54 0.932 8.005 2.336
454 HG2 GLU 54 2HG GLU 54 3.324 7.823 2.282
455 HG3 GLU 54 1HG GLU 54 2.668 7.445 0.692
456 H ALA 55 H ALA 55 -0.653 7.155 0.721
457 HA ALA 55 HA ALA 55 0.612 5.713 -1.308
458 HB1 ALA 55 3HB ALA 55 -2.238 5.418 -0.361
459 HB2 ALA 55 1HB ALA 55 -0.822 4.706 0.412
460 HB3 ALA 55 2HB ALA 55 -1.282 4.204 -1.213
461 H LEU 56 H LEU 56 -2.326 7.668 -1.421
462 HA LEU 56 HA LEU 56 -2.973 7.130 -4.119
463 HG LEU 56 HG LEU 56 -4.351 7.426 -1.347
464 HB2 LEU 56 2HB LEU 56 -3.666 9.562 -2.478
465 HB3 LEU 56 1HB LEU 56 -4.499 9.003 -3.917
466 HD11 LEU 56 1HD1 LEU 56 -6.582 9.155 -2.400
467 HD12 LEU 56 2HD1 LEU 56 -5.581 9.493 -0.987
468 HD13 LEU 56 3HD1 LEU 56 -6.668 8.102 -0.986
469 HD21 LEU 56 3HD2 LEU 56 -4.690 6.065 -3.328
470 HD22 LEU 56 1HD2 LEU 56 -6.028 7.099 -3.829
471 HD23 LEU 56 2HD2 LEU 56 -6.162 6.133 -2.360
472 H ASP 57 H ASP 57 -1.171 9.782 -2.592
473 HA ASP 57 HA ASP 57 -0.870 11.266 -4.984
474 HB2 ASP 57 2HB ASP 57 0.292 11.380 -2.257
475 HB3 ASP 57 1HB ASP 57 1.170 12.204 -3.543
476 H ARG 58 H ARG 58 1.346 9.031 -3.317
477 HA ARG 58 HA ARG 58 3.508 9.495 -5.070
478 HE ARG 58 HE ARG 58 4.661 4.760 -2.773
479 HB2 ARG 58 2HB ARG 58 4.504 7.461 -4.106
480 HB3 ARG 58 1HB ARG 58 3.875 8.541 -2.873
481 HG2 ARG 58 2HG ARG 58 1.800 7.095 -2.864
482 HG3 ARG 58 1HG ARG 58 2.719 5.944 -3.833
483 HD2 ARG 58 2HD ARG 58 3.611 6.990 -1.152
484 HD3 ARG 58 1HD ARG 58 2.718 5.487 -1.373
485 HH11 ARG 58 1HH1 ARG 58 5.073 7.321 -0.424
486 HH12 ARG 58 2HH1 ARG 58 6.698 6.859 -0.011
487 HH21 ARG 58 1HH2 ARG 58 6.819 4.168 -2.266
488 HH22 ARG 58 2HH2 ARG 58 7.699 5.070 -1.068
489 H TYR 59 H TYR 59 0.905 7.094 -5.171
490 HA TYR 59 HA TYR 59 2.099 5.934 -7.579
491 HD1 TYR 59 HD2 TYR 59 2.846 3.540 -7.353
492 HD2 TYR 59 HD1 TYR 59 0.558 4.301 -3.849
493 HE1 TYR 59 HE2 TYR 59 4.439 2.216 -6.032
494 HE2 TYR 59 HE1 TYR 59 2.145 2.973 -2.521
495 HH TYR 59 HH TYR 59 5.070 1.605 -3.979
496 HB2 TYR 59 2HB TYR 59 -0.243 5.042 -5.890
497 HB3 TYR 59 1HB TYR 59 0.291 4.220 -7.349
498 H SER 60 H SER 60 0.183 8.465 -6.935
499 HA SER 60 HA SER 60 -1.265 9.736 -8.120
500 HG SER 60 HG SER 60 1.392 9.217 -10.194
501 HB2 SER 60 2HB SER 60 -0.304 8.007 -10.411
502 HB3 SER 60 1HB SER 60 -1.278 9.467 -10.600
503 H LEU 61 H LEU 61 -2.196 7.423 -6.759
504 HA LEU 61 HA LEU 61 -4.321 6.309 -8.401
505 HG LEU 61 HG LEU 61 -1.897 4.938 -6.943
506 HB2 LEU 61 2HB LEU 61 -3.664 5.879 -5.482
507 HB3 LEU 61 1HB LEU 61 -4.866 4.991 -6.395
508 HD11 LEU 61 1HD1 LEU 61 -2.419 3.885 -4.823
509 HD12 LEU 61 2HD1 LEU 61 -2.005 2.664 -6.029
510 HD13 LEU 61 3HD1 LEU 61 -3.690 2.933 -5.586
511 HD21 LEU 61 3HD2 LEU 61 -4.122 3.231 -8.056
512 HD22 LEU 61 1HD2 LEU 61 -2.408 3.113 -8.447
513 HD23 LEU 61 2HD2 LEU 61 -3.325 4.543 -8.924
514 H SER 62 H SER 62 -6.528 6.557 -7.859
515 HA SER 62 HA SER 62 -7.127 9.071 -6.495
516 HG SER 62 HG SER 62 -7.086 9.111 -8.872
517 HB2 SER 62 2HB SER 62 -8.975 7.275 -8.078
518 HB3 SER 62 1HB SER 62 -9.305 8.924 -7.550
519 H GLU 63 H GLU 63 -8.949 9.130 -4.993
520 HA GLU 63 HA GLU 63 -8.628 7.316 -2.901
521 HB2 GLU 63 2HB GLU 63 -9.490 9.695 -2.850
522 HB3 GLU 63 1HB GLU 63 -11.037 9.062 -3.397
523 HG2 GLU 63 2HG GLU 63 -11.249 7.742 -1.417
524 HG3 GLU 63 1HG GLU 63 -9.633 8.212 -0.896
525 H GLU 64 H GLU 64 -10.953 7.452 -5.524
526 HA GLU 64 HA GLU 64 -12.702 5.421 -4.801
527 HB2 GLU 64 2HB GLU 64 -13.043 5.140 -7.266
528 HB3 GLU 64 1HB GLU 64 -13.164 6.805 -6.708
529 HG2 GLU 64 2HG GLU 64 -10.903 7.245 -7.491
530 HG3 GLU 64 1HG GLU 64 -10.746 5.569 -8.012
531 H GLU 65 H GLU 65 -9.526 5.245 -6.293
532 HA GLU 65 HA GLU 65 -9.560 2.514 -6.999
533 HB2 GLU 65 2HB GLU 65 -7.980 4.261 -7.872
534 HB3 GLU 65 1HB GLU 65 -7.168 4.240 -6.315
535 HG2 GLU 65 2HG GLU 65 -5.892 2.926 -7.815
536 HG3 GLU 65 1HG GLU 65 -6.676 1.826 -6.684
537 H PHE 66 H PHE 66 -8.029 4.204 -4.274
538 HA PHE 66 HA PHE 66 -7.054 1.933 -2.964
539 HD1 PHE 66 HD1 PHE 66 -4.612 2.904 -1.692
540 HD2 PHE 66 HD2 PHE 66 -8.156 3.606 0.556
541 HE1 PHE 66 HE1 PHE 66 -3.483 2.090 0.332
542 HE2 PHE 66 HE2 PHE 66 -7.031 2.789 2.586
543 HZ PHE 66 HZ PHE 66 -4.690 2.032 2.474
544 HB2 PHE 66 2HB PHE 66 -6.405 4.329 -2.541
545 HB3 PHE 66 1HB PHE 66 -7.906 4.511 -1.645
546 H ALA 67 H ALA 67 -10.188 3.500 -2.874
547 HA ALA 67 HA ALA 67 -11.292 2.207 -0.647
548 HB1 ALA 67 3HB ALA 67 -12.689 3.051 -3.183
549 HB2 ALA 67 1HB ALA 67 -12.360 4.091 -1.796
550 HB3 ALA 67 2HB ALA 67 -13.456 2.720 -1.629
551 H LEU 68 H LEU 68 -11.147 1.256 -4.054
552 HA LEU 68 HA LEU 68 -12.581 -1.167 -3.762
553 HG LEU 68 HG LEU 68 -12.331 1.179 -5.915
554 HB2 LEU 68 2HB LEU 68 -10.492 -0.439 -5.821
555 HB3 LEU 68 1HB LEU 68 -11.638 -1.758 -5.946
556 HD11 LEU 68 1HD1 LEU 68 -12.395 -0.859 -8.137
557 HD12 LEU 68 2HD1 LEU 68 -11.261 0.482 -7.985
558 HD13 LEU 68 3HD1 LEU 68 -12.975 0.802 -8.247
559 HD21 LEU 68 3HD2 LEU 68 -14.606 0.426 -6.434
560 HD22 LEU 68 1HD2 LEU 68 -14.070 -0.149 -4.855
561 HD23 LEU 68 2HD2 LEU 68 -14.093 -1.249 -6.234
562 H TRP 69 H TRP 69 -9.135 -0.370 -3.661
563 HA TRP 69 HA TRP 69 -8.091 -2.953 -3.541
564 HD1 TRP 69 HD1 TRP 69 -8.169 -0.942 -5.411
565 HE1 TRP 69 HE1 TRP 69 -6.572 -0.281 -7.312
566 HE3 TRP 69 HE3 TRP 69 -3.784 -0.920 -2.790
567 HZ2 TRP 69 HZ2 TRP 69 -3.809 0.174 -7.649
568 HZ3 TRP 69 HZ3 TRP 69 -1.709 -0.360 -3.977
569 HH2 TRP 69 HH2 TRP 69 -1.722 0.172 -6.358
570 HB2 TRP 69 2HB TRP 69 -7.062 -0.401 -2.293
571 HB3 TRP 69 1HB TRP 69 -6.147 -1.902 -2.338
572 H ARG 70 H ARG 70 -8.895 -0.814 -0.787
573 HA ARG 70 HA ARG 70 -8.241 -2.749 1.160
574 HE ARG 70 HE ARG 70 -10.779 0.391 3.985
575 HB2 ARG 70 2HB ARG 70 -9.346 -1.287 2.764
576 HB3 ARG 70 1HB ARG 70 -8.325 -0.363 1.674
577 HG2 ARG 70 2HG ARG 70 -10.421 0.140 0.354
578 HG3 ARG 70 1HG ARG 70 -11.321 -0.530 1.717
579 HD2 ARG 70 2HD ARG 70 -9.383 1.779 1.832
580 HD3 ARG 70 1HD ARG 70 -11.140 1.904 1.869
581 HH11 ARG 70 1HH1 ARG 70 -8.884 3.135 2.951
582 HH12 ARG 70 2HH1 ARG 70 -8.431 3.610 4.558
583 HH21 ARG 70 1HH2 ARG 70 -10.160 0.990 6.131
584 HH22 ARG 70 2HH2 ARG 70 -9.149 2.382 6.357
585 H SER 71 H SER 71 -11.132 -2.225 -0.706
586 HA SER 71 HA SER 71 -12.820 -3.820 0.970
587 HG SER 71 HG SER 71 -13.167 -1.161 -0.784
588 HB2 SER 71 2HB SER 71 -13.164 -3.031 -1.933
589 HB3 SER 71 1HB SER 71 -14.419 -3.695 -0.884
590 H ALA 72 H ALA 72 -10.753 -4.394 -1.809
591 HA ALA 72 HA ALA 72 -11.737 -7.087 -2.180
592 HB1 ALA 72 3HB ALA 72 -11.093 -5.705 -4.104
593 HB2 ALA 72 1HB ALA 72 -10.171 -7.205 -4.028
594 HB3 ALA 72 2HB ALA 72 -9.427 -5.688 -3.525
595 H VAL 73 H VAL 73 -9.181 -5.557 -0.435
596 HA VAL 73 HA VAL 73 -7.748 -8.099 -0.172
597 HB VAL 73 HB VAL 73 -6.862 -5.323 0.620
598 HG11 VAL 73 1HG1 VAL 73 -5.894 -7.029 2.077
599 HG12 VAL 73 2HG1 VAL 73 -4.668 -6.332 1.019
600 HG13 VAL 73 3HG1 VAL 73 -5.336 -7.928 0.666
601 HG21 VAL 73 3HG2 VAL 73 -6.930 -5.567 -1.781
602 HG22 VAL 73 1HG2 VAL 73 -6.055 -7.094 -1.684
603 HG23 VAL 73 2HG2 VAL 73 -5.251 -5.589 -1.244
604 H ALA 74 H ALA 74 -8.779 -5.418 1.962
605 HA ALA 74 HA ALA 74 -8.224 -6.888 4.325
606 HB1 ALA 74 3HB ALA 74 -8.240 -4.436 4.284
607 HB2 ALA 74 1HB ALA 74 -9.327 -5.078 5.517
608 HB3 ALA 74 2HB ALA 74 -9.982 -4.456 4.002
609 H ALA 75 H ALA 75 -11.222 -6.176 2.577
610 HA ALA 75 HA ALA 75 -12.750 -7.878 4.372
611 HB1 ALA 75 3HB ALA 75 -13.775 -5.828 3.524
612 HB2 ALA 75 1HB ALA 75 -14.673 -7.249 2.990
613 HB3 ALA 75 2HB ALA 75 -13.596 -6.414 1.870
614 H HIS 76 H HIS 76 -12.511 -7.749 0.828
615 HA HIS 76 HA HIS 76 -12.003 -9.296 -0.741
616 HD1 HIS 76 HD1 HIS 76 -9.555 -10.296 -1.727
617 HD2 HIS 76 HD2 HIS 76 -11.329 -13.571 0.116
618 HE1 HIS 76 HE1 HIS 76 -9.046 -12.267 -3.207
619 HE2 HIS 76 HE2 HIS 76 -9.984 -14.259 -1.981
620 HB2 HIS 76 2HB HIS 76 -10.200 -10.003 0.864
621 HB3 HIS 76 1HB HIS 76 -11.313 -11.209 1.496
622 H GLY 77 H GLY 77 -14.402 -9.650 1.544
623 HA2 GLY 77 2HA GLY 77 -16.286 -10.734 -0.101
624 HA3 GLY 77 1HA GLY 77 -15.504 -12.131 0.622
625 H GLU 78 H GLU 78 -17.674 -9.518 1.090
626 HA GLU 78 HA GLU 78 -17.984 -9.966 3.938
627 HB2 GLU 78 2HB GLU 78 -19.837 -8.290 3.693
628 HB3 GLU 78 1HB GLU 78 -18.260 -7.712 3.170
629 HG2 GLU 78 2HG GLU 78 -18.899 -8.193 0.834
630 HG3 GLU 78 1HG GLU 78 -20.501 -8.661 1.402
631 H LYS 79 H LYS 79 -18.385 -12.192 2.204
632 HA LYS 79 HA LYS 79 -21.221 -12.643 1.908
633 HB2 LYS 79 2HB LYS 79 -18.987 -14.639 1.532
634 HB3 LYS 79 1HB LYS 79 -20.601 -14.686 0.833
635 HG2 LYS 79 2HG LYS 79 -20.097 -12.774 -0.556
636 HG3 LYS 79 1HG LYS 79 -18.510 -12.616 0.196
637 HD2 LYS 79 2HD LYS 79 -17.939 -14.877 -0.650
638 HD3 LYS 79 1HD LYS 79 -19.492 -14.919 -1.485
639 HE2 LYS 79 2HE LYS 79 -17.267 -12.931 -1.944
640 HE3 LYS 79 1HE LYS 79 -17.711 -14.261 -3.010
641 HZ1 LYS 79 3HZ LYS 79 -19.894 -13.226 -3.299
642 HZ2 LYS 79 1HZ LYS 79 -18.641 -12.210 -3.817
643 HZ3 LYS 79 2HZ LYS 79 -19.406 -11.915 -2.334
644 H ALA 80 H ALA 80 -18.605 -13.613 4.009
645 HA ALA 80 HA ALA 80 -20.519 -15.129 5.656
646 HB1 ALA 80 3HB ALA 80 -17.562 -15.652 5.363
647 HB2 ALA 80 1HB ALA 80 -18.847 -16.580 4.586
648 HB3 ALA 80 2HB ALA 80 -18.700 -16.575 6.343
649 H LEU 81 H LEU 81 -21.050 -13.685 7.198
650 HA LEU 81 HA LEU 81 -19.016 -11.936 8.292
651 HG LEU 81 HG LEU 81 -20.319 -10.093 7.327
652 HB2 LEU 81 2HB LEU 81 -21.979 -12.118 8.816
653 HB3 LEU 81 1HB LEU 81 -20.914 -11.003 9.647
654 HD11 LEU 81 1HD1 LEU 81 -21.235 -11.931 6.014
655 HD12 LEU 81 2HD1 LEU 81 -22.003 -10.399 5.596
656 HD13 LEU 81 3HD1 LEU 81 -22.850 -11.562 6.614
657 HD21 LEU 81 3HD2 LEU 81 -22.291 -8.647 7.296
658 HD22 LEU 81 1HD2 LEU 81 -21.670 -8.874 8.933
659 HD23 LEU 81 2HD2 LEU 81 -23.111 -9.745 8.406
660 H LYS 82 H LYS 82 -17.800 -13.717 9.208
661 HA LYS 82 HA LYS 82 -18.848 -14.909 11.631
662 HB2 LYS 82 2HB LYS 82 -17.266 -16.169 10.215
663 HB3 LYS 82 1HB LYS 82 -16.054 -14.920 10.456
664 HG2 LYS 82 2HG LYS 82 -15.966 -15.440 12.831
665 HG3 LYS 82 1HG LYS 82 -17.216 -16.665 12.619
666 HD2 LYS 82 2HD LYS 82 -15.759 -17.956 11.184
667 HD3 LYS 82 1HD LYS 82 -14.523 -16.697 11.265
668 HE2 LYS 82 2HE LYS 82 -14.291 -17.058 13.660
669 HE3 LYS 82 1HE LYS 82 -15.564 -18.276 13.614
670 HZ1 LYS 82 3HZ LYS 82 -13.302 -19.209 13.640
671 HZ2 LYS 82 1HZ LYS 82 -12.993 -18.481 12.139
672 HZ3 LYS 82 2HZ LYS 82 -14.190 -19.677 12.276
673 H VAL 83 H VAL 83 -17.821 -14.489 13.753
674 HA VAL 83 HA VAL 83 -17.859 -11.812 14.438
675 HB VAL 83 HB VAL 83 -18.132 -13.609 16.069
676 HG11 VAL 83 1HG1 VAL 83 -15.162 -14.032 15.775
677 HG12 VAL 83 2HG1 VAL 83 -16.435 -15.153 15.292
678 HG13 VAL 83 3HG1 VAL 83 -16.190 -14.780 16.998
679 HG21 VAL 83 3HG2 VAL 83 -15.893 -11.700 16.726
680 HG22 VAL 83 1HG2 VAL 83 -16.817 -12.622 17.913
681 HG23 VAL 83 2HG2 VAL 83 -17.622 -11.411 16.918
682 H THR 84 H THR 84 -15.132 -13.720 13.362
683 HA THR 84 HA THR 84 -13.116 -11.829 14.070
684 HB THR 84 HB THR 84 -12.918 -13.974 11.961
685 HG1 THR 84 HG1 THR 84 -12.748 -14.174 14.806
686 HG21 THR 84 3HG2 THR 84 -10.869 -12.796 13.847
687 HG22 THR 84 1HG2 THR 84 -11.004 -12.432 12.127
688 HG23 THR 84 2HG2 THR 84 -10.566 -14.057 12.655
689 H MET 85 H MET 85 -15.413 -11.978 11.571
690 HA MET 85 HA MET 85 -13.814 -10.632 9.573
691 HB2 MET 85 2HB MET 85 -16.665 -11.585 9.668
692 HB3 MET 85 1HB MET 85 -16.069 -10.593 8.341
693 HG2 MET 85 2HG MET 85 -14.961 -13.268 9.166
694 HG3 MET 85 1HG MET 85 -16.054 -12.980 7.813
695 HE1 MET 85 3HE MET 85 -12.691 -13.826 6.024
696 HE2 MET 85 1HE MET 85 -14.409 -14.204 6.158
697 HE3 MET 85 2HE MET 85 -13.324 -14.536 7.508
698 H ILE 86 H ILE 86 -16.220 -9.781 11.969
699 HA ILE 86 HA ILE 86 -17.119 -7.385 10.826
700 HB ILE 86 HB ILE 86 -17.039 -8.228 13.722
701 HG12 ILE 86 2HG1 ILE 86 -19.628 -8.144 13.143
702 HG13 ILE 86 1HG1 ILE 86 -19.028 -8.379 11.503
703 HG21 ILE 86 1HG2 ILE 86 -18.606 -6.381 14.164
704 HG22 ILE 86 2HG2 ILE 86 -18.351 -5.796 12.520
705 HG23 ILE 86 3HG2 ILE 86 -17.013 -5.810 13.667
706 HD11 ILE 86 3HD1 ILE 86 -19.624 -10.487 12.506
707 HD12 ILE 86 1HD1 ILE 86 -18.527 -10.184 13.854
708 HD13 ILE 86 2HD1 ILE 86 -17.883 -10.414 12.227
709 H GLN 87 H GLN 87 -14.371 -8.015 12.977
710 HA GLN 87 HA GLN 87 -13.729 -5.316 13.450
711 HB2 GLN 87 2HB GLN 87 -11.474 -6.133 14.058
712 HB3 GLN 87 1HB GLN 87 -12.766 -7.032 14.839
713 HG2 GLN 87 2HG GLN 87 -12.479 -8.863 13.307
714 HG3 GLN 87 1HG GLN 87 -11.288 -7.948 12.383
715 HE21 GLN 87 1HE2 GLN 87 -9.694 -9.497 12.692
716 HE22 GLN 87 2HE2 GLN 87 -8.908 -9.729 14.217
717 H LYS 88 H LYS 88 -12.989 -7.459 10.770
718 HA LYS 88 HA LYS 88 -11.093 -5.686 9.569
719 HB2 LYS 88 2HB LYS 88 -12.661 -7.977 8.379
720 HB3 LYS 88 1HB LYS 88 -11.400 -7.095 7.534
721 HG2 LYS 88 2HG LYS 88 -9.902 -7.794 9.523
722 HG3 LYS 88 1HG LYS 88 -11.163 -8.992 9.831
723 HD2 LYS 88 2HD LYS 88 -9.601 -8.648 7.270
724 HD3 LYS 88 1HD LYS 88 -9.413 -9.951 8.443
725 HE2 LYS 88 2HE LYS 88 -11.478 -10.900 7.897
726 HE3 LYS 88 1HE LYS 88 -12.046 -9.427 7.112
727 HZ1 LYS 88 3HZ LYS 88 -9.858 -11.165 6.086
728 HZ2 LYS 88 1HZ LYS 88 -10.487 -9.782 5.330
729 HZ3 LYS 88 2HZ LYS 88 -11.454 -11.158 5.511
730 H TYR 89 H TYR 89 -14.564 -6.102 9.434
731 HA TYR 89 HA TYR 89 -14.962 -4.401 7.171
732 HD1 TYR 89 HD2 TYR 89 -15.630 -5.943 5.961
733 HD2 TYR 89 HD1 TYR 89 -18.050 -7.194 9.222
734 HE1 TYR 89 HE2 TYR 89 -15.915 -8.141 4.896
735 HE2 TYR 89 HE1 TYR 89 -18.339 -9.399 8.172
736 HH TYR 89 HH TYR 89 -16.463 -10.442 5.533
737 HB2 TYR 89 2HB TYR 89 -16.901 -5.173 9.366
738 HB3 TYR 89 1HB TYR 89 -17.334 -4.375 7.859
739 H ARG 90 H ARG 90 -14.579 -3.913 10.595
740 HA ARG 90 HA ARG 90 -15.429 -1.185 10.618
741 HE ARG 90 HE ARG 90 -18.013 -2.741 14.253
742 HB2 ARG 90 2HB ARG 90 -13.597 -2.666 12.518
743 HB3 ARG 90 1HB ARG 90 -14.276 -1.071 12.805
744 HG2 ARG 90 2HG ARG 90 -15.807 -3.649 12.545
745 HG3 ARG 90 1HG ARG 90 -15.522 -2.731 14.024
746 HD2 ARG 90 2HD ARG 90 -16.779 -0.844 13.075
747 HD3 ARG 90 1HD ARG 90 -17.084 -1.794 11.621
748 HH11 ARG 90 1HH1 ARG 90 -18.665 -1.777 10.934
749 HH12 ARG 90 2HH1 ARG 90 -20.333 -2.265 10.998
750 HH21 ARG 90 1HH2 ARG 90 -20.221 -3.359 14.324
751 HH22 ARG 90 2HH2 ARG 90 -21.208 -3.179 12.901
752 H GLN 91 H GLN 91 -12.358 -2.850 10.236
753 HA GLN 91 HA GLN 91 -10.804 -0.450 10.012
754 HB2 GLN 91 2HB GLN 91 -9.910 -2.632 10.806
755 HB3 GLN 91 1HB GLN 91 -10.139 -3.286 9.192
756 HG2 GLN 91 2HG GLN 91 -8.454 -1.885 8.292
757 HG3 GLN 91 1HG GLN 91 -8.372 -0.927 9.772
758 HE21 GLN 91 1HE2 GLN 91 -7.267 -1.719 11.541
759 HE22 GLN 91 2HE2 GLN 91 -6.228 -3.102 11.455
760 H LEU 92 H LEU 92 -12.768 -2.298 7.938
761 HA LEU 92 HA LEU 92 -11.708 -1.557 5.410
762 HG LEU 92 HG LEU 92 -14.350 -1.120 4.104
763 HB2 LEU 92 2HB LEU 92 -13.156 -3.437 5.531
764 HB3 LEU 92 1HB LEU 92 -14.396 -2.518 6.360
765 HD11 LEU 92 1HD1 LEU 92 -13.480 -3.876 3.256
766 HD12 LEU 92 2HD1 LEU 92 -12.548 -2.389 3.085
767 HD13 LEU 92 3HD1 LEU 92 -14.049 -2.597 2.182
768 HD21 LEU 92 3HD2 LEU 92 -16.245 -2.428 3.369
769 HD22 LEU 92 1HD2 LEU 92 -16.276 -2.232 5.123
770 HD23 LEU 92 2HD2 LEU 92 -15.756 -3.765 4.410
771 H HIS 93 H HIS 93 -13.769 -0.038 7.727
772 HA HIS 93 HA HIS 93 -15.461 1.557 6.330
773 HD1 HIS 93 HD1 HIS 93 -17.571 2.859 8.651
774 HD2 HIS 93 HD2 HIS 93 -14.029 5.023 8.340
775 HE1 HIS 93 HE1 HIS 93 -18.225 5.277 8.872
776 HE2 HIS 93 HE2 HIS 93 -16.099 6.565 8.497
777 HB2 HIS 93 2HB HIS 93 -15.519 1.397 8.733
778 HB3 HIS 93 1HB HIS 93 -13.954 2.186 8.871
779 H HIS 94 H HIS 94 -15.135 2.847 4.689
780 HA HIS 94 HA HIS 94 -12.937 4.796 4.805
781 HD1 HIS 94 HD1 HIS 94 -13.386 4.972 0.447
782 HD2 HIS 94 HD2 HIS 94 -10.444 5.100 3.393
783 HE1 HIS 94 HE1 HIS 94 -11.607 6.528 -0.424
784 HE2 HIS 94 HE2 HIS 94 -9.790 6.530 1.335
785 HB2 HIS 94 2HB HIS 94 -12.446 2.889 3.228
786 HB3 HIS 94 1HB HIS 94 -13.847 3.382 2.286
787 H HIS 95 H HIS 95 -15.500 5.260 5.687
788 HA HIS 95 HA HIS 95 -16.248 7.469 4.004
789 HD1 HIS 95 HD1 HIS 95 -18.620 7.048 1.438
790 HD2 HIS 95 HD2 HIS 95 -19.984 7.650 5.321
791 HE1 HIS 95 HE1 HIS 95 -20.555 8.641 1.240
792 HE2 HIS 95 HE2 HIS 95 -21.247 9.133 3.612
793 HB2 HIS 95 2HB HIS 95 -17.528 5.529 3.051
794 HB3 HIS 95 1HB HIS 95 -18.307 5.329 4.613
Start of MODEL 10
1 HA MET 1 HA MET 1 4.733 6.881 22.316
2 H1 MET 1 1H MET 1 3.940 4.762 23.223
3 H2 MET 1 2H MET 1 3.453 5.571 24.633
4 H3 MET 1 3H MET 1 5.095 5.526 24.205
5 HB2 MET 1 2HB MET 1 2.549 6.002 21.681
6 HB3 MET 1 1HB MET 1 1.816 6.740 23.098
7 HG2 MET 1 2HG MET 1 1.352 8.018 21.080
8 HG3 MET 1 1HG MET 1 2.305 8.953 22.231
9 HE1 MET 1 3HE MET 1 1.959 9.797 19.194
10 HE2 MET 1 1HE MET 1 3.612 10.255 18.780
11 HE3 MET 1 2HE MET 1 2.938 10.707 20.345
12 H TYR 2 H TYR 2 6.028 8.209 23.551
13 HA TYR 2 HA TYR 2 4.559 10.250 25.066
14 HD1 TYR 2 HD2 TYR 2 4.091 10.397 27.562
15 HD2 TYR 2 HD1 TYR 2 6.393 6.867 26.979
16 HE1 TYR 2 HE2 TYR 2 2.675 9.214 29.183
17 HE2 TYR 2 HE1 TYR 2 4.978 5.671 28.597
18 HH TYR 2 HH TYR 2 3.514 6.311 30.585
19 HB2 TYR 2 2HB TYR 2 7.071 8.840 25.958
20 HB3 TYR 2 1HB TYR 2 6.544 10.374 26.639
21 H LEU 3 H LEU 3 4.738 11.377 23.049
22 HA LEU 3 HA LEU 3 5.489 13.182 21.930
23 HG LEU 3 HG LEU 3 6.669 15.423 24.569
24 HB2 LEU 3 2HB LEU 3 7.501 13.136 24.136
25 HB3 LEU 3 1HB LEU 3 7.722 14.224 22.781
26 HD11 LEU 3 1HD1 LEU 3 5.945 16.005 22.337
27 HD12 LEU 3 2HD1 LEU 3 4.609 16.177 23.476
28 HD13 LEU 3 3HD1 LEU 3 4.680 14.779 22.400
29 HD21 LEU 3 3HD2 LEU 3 5.715 13.568 25.807
30 HD22 LEU 3 1HD2 LEU 3 4.538 13.290 24.526
31 HD23 LEU 3 2HD2 LEU 3 4.479 14.779 25.470
32 H LYS 4 H LYS 4 8.096 10.869 22.611
33 HA LYS 4 HA LYS 4 9.490 11.547 20.193
34 HB2 LYS 4 2HB LYS 4 9.856 9.171 22.033
35 HB3 LYS 4 1HB LYS 4 10.966 9.669 20.763
36 HG2 LYS 4 2HG LYS 4 10.263 11.259 23.224
37 HG3 LYS 4 1HG LYS 4 11.766 10.377 22.940
38 HD2 LYS 4 2HD LYS 4 12.354 11.833 21.127
39 HD3 LYS 4 1HD LYS 4 10.777 12.623 21.190
40 HE2 LYS 4 2HE LYS 4 11.284 13.485 23.409
41 HE3 LYS 4 1HE LYS 4 12.842 12.663 23.388
42 HZ1 LYS 4 3HZ LYS 4 13.573 14.051 21.612
43 HZ2 LYS 4 1HZ LYS 4 12.958 15.051 22.835
44 HZ3 LYS 4 2HZ LYS 4 12.042 14.754 21.441
45 H ARG 5 H ARG 5 8.562 11.106 18.323
46 HA ARG 5 HA ARG 5 7.759 8.366 17.743
47 HE ARG 5 HE ARG 5 3.621 8.184 14.632
48 HB2 ARG 5 2HB ARG 5 5.658 9.352 18.402
49 HB3 ARG 5 1HB ARG 5 5.958 10.770 17.406
50 HG2 ARG 5 2HG ARG 5 5.984 9.136 15.431
51 HG3 ARG 5 1HG ARG 5 5.240 7.992 16.551
52 HD2 ARG 5 2HD ARG 5 3.397 9.513 16.931
53 HD3 ARG 5 1HD ARG 5 4.160 10.734 15.912
54 HH11 ARG 5 1HH1 ARG 5 2.550 11.463 15.212
55 HH12 ARG 5 2HH1 ARG 5 1.426 11.467 13.889
56 HH21 ARG 5 1HH2 ARG 5 2.157 8.184 12.886
57 HH22 ARG 5 2HH2 ARG 5 1.197 9.603 12.572
58 H VAL 6 H VAL 6 8.236 7.784 15.672
59 HA VAL 6 HA VAL 6 9.323 9.807 13.891
60 HB VAL 6 HB VAL 6 10.491 7.652 14.005
61 HG11 VAL 6 1HG1 VAL 6 7.939 6.454 12.941
62 HG12 VAL 6 2HG1 VAL 6 8.639 6.187 14.538
63 HG13 VAL 6 3HG1 VAL 6 9.478 5.608 13.098
64 HG21 VAL 6 3HG2 VAL 6 10.619 8.901 11.929
65 HG22 VAL 6 1HG2 VAL 6 9.149 8.122 11.344
66 HG23 VAL 6 2HG2 VAL 6 10.613 7.168 11.597
67 H ASP 7 H ASP 7 8.215 10.705 12.248
68 HA ASP 7 HA ASP 7 5.431 10.614 12.150
69 HB2 ASP 7 2HB ASP 7 7.389 11.497 10.012
70 HB3 ASP 7 1HB ASP 7 5.657 11.818 9.972
71 H GLY 8 H GLY 8 7.728 9.268 9.790
72 HA2 GLY 8 2HA GLY 8 5.630 7.346 9.012
73 HA3 GLY 8 1HA GLY 8 6.891 7.923 7.930
74 HA PRO 9 HA PRO 9 8.442 4.496 11.168
75 HB2 PRO 9 2HB PRO 9 6.322 2.641 10.216
76 HB3 PRO 9 1HB PRO 9 7.028 2.812 11.827
77 HG2 PRO 9 2HG PRO 9 4.586 3.728 11.321
78 HG3 PRO 9 1HG PRO 9 5.699 4.640 12.359
79 HD2 PRO 9 2HD PRO 9 4.940 5.124 9.504
80 HD3 PRO 9 1HD PRO 9 5.207 6.295 10.813
81 H ARG 10 H ARG 10 9.924 3.014 10.385
82 HA ARG 10 HA ARG 10 10.240 3.139 7.518
83 HE ARG 10 HE ARG 10 14.025 5.855 10.106
84 HB2 ARG 10 2HB ARG 10 12.001 1.942 9.658
85 HB3 ARG 10 1HB ARG 10 12.435 2.076 7.956
86 HG2 ARG 10 2HG ARG 10 12.192 4.531 8.129
87 HG3 ARG 10 1HG ARG 10 11.876 4.343 9.856
88 HD2 ARG 10 2HD ARG 10 14.070 3.396 10.194
89 HD3 ARG 10 1HD ARG 10 14.389 3.432 8.458
90 HH11 ARG 10 1HH1 ARG 10 15.574 4.099 7.507
91 HH12 ARG 10 2HH1 ARG 10 16.602 5.428 7.046
92 HH21 ARG 10 1HH2 ARG 10 15.368 7.612 9.513
93 HH22 ARG 10 2HH2 ARG 10 16.501 7.421 8.199
94 H GLN 11 H GLN 11 9.311 0.752 9.889
95 HA GLN 11 HA GLN 11 8.493 -0.988 7.732
96 HB2 GLN 11 2HB GLN 11 9.607 -2.985 8.637
97 HB3 GLN 11 1HB GLN 11 10.760 -1.776 8.089
98 HG2 GLN 11 2HG GLN 11 11.190 -1.094 10.358
99 HG3 GLN 11 1HG GLN 11 9.941 -2.188 10.952
100 HE21 GLN 11 1HE2 GLN 11 10.317 -4.396 10.971
101 HE22 GLN 11 2HE2 GLN 11 11.918 -5.057 10.822
102 H VAL 12 H VAL 12 6.831 -2.313 8.214
103 HA VAL 12 HA VAL 12 5.897 -2.394 11.004
104 HB VAL 12 HB VAL 12 3.562 -2.404 10.142
105 HG11 VAL 12 1HG1 VAL 12 5.180 0.051 9.489
106 HG12 VAL 12 2HG1 VAL 12 4.489 -0.365 11.056
107 HG13 VAL 12 3HG1 VAL 12 3.429 0.011 9.698
108 HG21 VAL 12 3HG2 VAL 12 3.121 -1.581 7.870
109 HG22 VAL 12 1HG2 VAL 12 3.977 -3.123 7.865
110 HG23 VAL 12 2HG2 VAL 12 4.850 -1.629 7.531
111 H THR 13 H THR 13 3.940 -4.154 10.946
112 HA THR 13 HA THR 13 5.111 -6.546 9.669
113 HB THR 13 HB THR 13 3.539 -6.532 12.251
114 HG1 THR 13 HG1 THR 13 6.238 -7.009 12.456
115 HG21 THR 13 3HG2 THR 13 5.371 -8.575 10.981
116 HG22 THR 13 1HG2 THR 13 3.615 -8.682 11.101
117 HG23 THR 13 2HG2 THR 13 4.603 -8.736 12.560
118 H LEU 14 H LEU 14 3.687 -8.066 8.786
119 HA LEU 14 HA LEU 14 1.000 -7.055 8.216
120 HG LEU 14 HG LEU 14 2.253 -8.135 4.884
121 HB2 LEU 14 2HB LEU 14 2.567 -9.363 7.057
122 HB3 LEU 14 1HB LEU 14 0.916 -8.991 6.613
123 HD11 LEU 14 1HD1 LEU 14 1.598 -5.856 6.737
124 HD12 LEU 14 2HD1 LEU 14 0.509 -6.603 5.569
125 HD13 LEU 14 3HD1 LEU 14 1.926 -5.713 5.010
126 HD21 LEU 14 3HD2 LEU 14 4.357 -8.218 6.291
127 HD22 LEU 14 1HD2 LEU 14 3.932 -6.593 6.824
128 HD23 LEU 14 2HD2 LEU 14 4.228 -6.916 5.113
129 HA PRO 15 HA PRO 15 -0.971 -10.178 10.789
130 HB2 PRO 15 2HB PRO 15 -3.177 -10.747 9.295
131 HB3 PRO 15 1HB PRO 15 -3.030 -9.271 10.255
132 HG2 PRO 15 2HG PRO 15 -2.615 -9.674 7.324
133 HG3 PRO 15 1HG PRO 15 -3.416 -8.338 8.168
134 HD2 PRO 15 2HD PRO 15 -0.880 -8.168 7.214
135 HD3 PRO 15 1HD PRO 15 -1.424 -7.291 8.659
136 H ASP 16 H ASP 16 0.038 -10.564 7.578
137 HA ASP 16 HA ASP 16 -0.361 -13.373 7.275
138 HB2 ASP 16 2HB ASP 16 1.696 -11.663 5.871
139 HB3 ASP 16 1HB ASP 16 0.953 -13.146 5.287
140 H GLY 17 H GLY 17 1.778 -11.464 9.062
141 HA2 GLY 17 2HA GLY 17 3.390 -12.280 10.573
142 HA3 GLY 17 1HA GLY 17 3.493 -13.762 9.633
143 H THR 18 H THR 18 3.495 -11.241 7.523
144 HA THR 18 HA THR 18 6.333 -11.553 7.009
145 HB THR 18 HB THR 18 4.701 -9.714 5.352
146 HG1 THR 18 HG1 THR 18 4.202 -12.531 5.487
147 HG21 THR 18 3HG2 THR 18 5.786 -10.959 3.534
148 HG22 THR 18 1HG2 THR 18 6.510 -12.046 4.718
149 HG23 THR 18 2HG2 THR 18 6.964 -10.342 4.693
150 H VAL 19 H VAL 19 7.531 -9.515 6.297
151 HA VAL 19 HA VAL 19 6.930 -7.278 8.114
152 HB VAL 19 HB VAL 19 9.563 -8.030 6.821
153 HG11 VAL 19 1HG1 VAL 19 10.542 -6.257 8.192
154 HG12 VAL 19 2HG1 VAL 19 8.939 -5.819 8.779
155 HG13 VAL 19 3HG1 VAL 19 9.341 -5.606 7.074
156 HG21 VAL 19 3HG2 VAL 19 8.950 -9.567 8.603
157 HG22 VAL 19 1HG2 VAL 19 8.652 -8.214 9.695
158 HG23 VAL 19 2HG2 VAL 19 10.287 -8.539 9.118
159 H LEU 20 H LEU 20 6.660 -5.245 7.306
160 HA LEU 20 HA LEU 20 6.917 -4.913 4.390
161 HG LEU 20 HG LEU 20 5.076 -2.297 4.370
162 HB2 LEU 20 2HB LEU 20 4.572 -5.205 4.976
163 HB3 LEU 20 1HB LEU 20 4.686 -3.924 6.164
164 HD11 LEU 20 1HD1 LEU 20 6.163 -3.751 2.749
165 HD12 LEU 20 2HD1 LEU 20 4.761 -2.958 2.029
166 HD13 LEU 20 3HD1 LEU 20 4.661 -4.648 2.525
167 HD21 LEU 20 3HD2 LEU 20 2.819 -2.353 3.417
168 HD22 LEU 20 1HD2 LEU 20 2.805 -2.712 5.143
169 HD23 LEU 20 2HD2 LEU 20 2.628 -4.016 3.970
170 H SER 21 H SER 21 8.726 -3.689 4.342
171 HA SER 21 HA SER 21 8.928 -1.353 6.064
172 HG SER 21 HG SER 21 10.848 -3.976 4.795
173 HB2 SER 21 2HB SER 21 10.870 -2.037 3.888
174 HB3 SER 21 1HB SER 21 11.174 -1.269 5.447
175 H ARG 22 H ARG 22 9.545 0.762 4.962
176 HA ARG 22 HA ARG 22 7.621 1.392 2.957
177 HE ARG 22 HE ARG 22 9.076 5.848 3.667
178 HB2 ARG 22 2HB ARG 22 9.920 2.955 4.129
179 HB3 ARG 22 1HB ARG 22 8.888 3.608 2.861
180 HG2 ARG 22 2HG ARG 22 6.936 3.322 4.304
181 HG3 ARG 22 1HG ARG 22 7.973 2.676 5.577
182 HD2 ARG 22 2HD ARG 22 7.405 5.044 5.927
183 HD3 ARG 22 1HD ARG 22 9.138 4.786 5.750
184 HH11 ARG 22 1HH1 ARG 22 5.895 5.765 5.156
185 HH12 ARG 22 2HH1 ARG 22 5.237 6.985 4.102
186 HH21 ARG 22 1HH2 ARG 22 8.221 7.476 2.333
187 HH22 ARG 22 2HH2 ARG 22 6.552 7.963 2.502
188 H ALA 23 H ALA 23 10.880 0.295 2.923
189 HA ALA 23 HA ALA 23 11.279 0.833 0.110
190 HB1 ALA 23 3HB ALA 23 13.368 -0.373 0.367
191 HB2 ALA 23 1HB ALA 23 12.880 -0.914 1.973
192 HB3 ALA 23 2HB ALA 23 13.176 0.798 1.672
193 H ASP 24 H ASP 24 9.517 -1.418 1.839
194 HA ASP 24 HA ASP 24 9.853 -3.601 -0.057
195 HB2 ASP 24 2HB ASP 24 8.351 -3.251 2.502
196 HB3 ASP 24 1HB ASP 24 7.791 -4.471 1.366
197 H LEU 25 H LEU 25 8.129 -0.766 0.132
198 HA LEU 25 HA LEU 25 5.661 -1.486 -1.025
199 HG LEU 25 HG LEU 25 6.116 0.425 1.149
200 HB2 LEU 25 2HB LEU 25 7.240 1.074 -0.989
201 HB3 LEU 25 1HB LEU 25 5.691 0.952 -1.798
202 HD11 LEU 25 1HD1 LEU 25 4.998 2.571 1.488
203 HD12 LEU 25 2HD1 LEU 25 4.986 2.845 -0.252
204 HD13 LEU 25 3HD1 LEU 25 6.518 2.770 0.619
205 HD21 LEU 25 3HD2 LEU 25 3.675 0.538 1.253
206 HD22 LEU 25 1HD2 LEU 25 4.217 -0.775 0.209
207 HD23 LEU 25 2HD2 LEU 25 3.608 0.721 -0.499
208 HA PRO 26 HA PRO 26 6.740 -2.455 -5.181
209 HB2 PRO 26 2HB PRO 26 4.506 -1.571 -6.482
210 HB3 PRO 26 1HB PRO 26 4.561 -3.064 -5.542
211 HG2 PRO 26 2HG PRO 26 3.534 -0.366 -4.752
212 HG3 PRO 26 1HG PRO 26 2.824 -1.966 -4.461
213 HD2 PRO 26 2HD PRO 26 4.178 -0.646 -2.554
214 HD3 PRO 26 1HD PRO 26 4.246 -2.414 -2.698
215 HA PRO 27 HA PRO 27 8.704 1.054 -6.997
216 HB2 PRO 27 2HB PRO 27 8.408 0.276 -9.672
217 HB3 PRO 27 1HB PRO 27 9.754 -0.135 -8.609
218 HG2 PRO 27 2HG PRO 27 7.371 -1.743 -9.359
219 HG3 PRO 27 1HG PRO 27 9.029 -2.273 -9.018
220 HD2 PRO 27 2HD PRO 27 7.031 -2.621 -7.248
221 HD3 PRO 27 1HD PRO 27 8.692 -2.267 -6.730
222 H LEU 28 H LEU 28 8.185 2.990 -7.905
223 HA LEU 28 HA LEU 28 5.453 3.704 -7.836
224 HG LEU 28 HG LEU 28 8.100 4.671 -6.506
225 HB2 LEU 28 2HB LEU 28 7.813 5.264 -8.895
226 HB3 LEU 28 1HB LEU 28 6.233 5.930 -8.519
227 HD11 LEU 28 1HD1 LEU 28 8.416 6.959 -5.691
228 HD12 LEU 28 2HD1 LEU 28 7.454 7.567 -7.037
229 HD13 LEU 28 3HD1 LEU 28 8.996 6.767 -7.346
230 HD21 LEU 28 3HD2 LEU 28 6.558 5.598 -4.850
231 HD22 LEU 28 1HD2 LEU 28 5.751 4.433 -5.900
232 HD23 LEU 28 2HD2 LEU 28 5.502 6.162 -6.145
233 H ASP 29 H ASP 29 7.528 2.682 -10.393
234 HA ASP 29 HA ASP 29 5.949 3.829 -12.509
235 HB2 ASP 29 2HB ASP 29 7.454 2.709 -14.021
236 HB3 ASP 29 1HB ASP 29 8.396 3.444 -12.730
237 H THR 30 H THR 30 5.509 1.210 -10.494
238 HA THR 30 HA THR 30 4.444 -0.676 -12.325
239 HB THR 30 HB THR 30 3.898 -0.350 -9.367
240 HG1 THR 30 HG1 THR 30 5.950 -1.459 -10.837
241 HG21 THR 30 3HG2 THR 30 3.307 -2.682 -11.192
242 HG22 THR 30 1HG2 THR 30 2.110 -1.615 -10.456
243 HG23 THR 30 2HG2 THR 30 3.100 -2.666 -9.443
244 H ARG 31 H ARG 31 2.975 0.072 -13.687
245 HA ARG 31 HA ARG 31 0.507 1.198 -12.563
246 HE ARG 31 HE ARG 31 -1.646 4.612 -14.564
247 HB2 ARG 31 2HB ARG 31 1.868 2.104 -14.675
248 HB3 ARG 31 1HB ARG 31 0.926 0.870 -15.501
249 HG2 ARG 31 2HG ARG 31 -0.171 3.014 -15.641
250 HG3 ARG 31 1HG ARG 31 -1.128 1.893 -14.671
251 HD2 ARG 31 2HD ARG 31 -0.343 2.912 -12.630
252 HD3 ARG 31 1HD ARG 31 0.755 3.955 -13.532
253 HH11 ARG 31 1HH1 ARG 31 -0.497 4.310 -11.265
254 HH12 ARG 31 2HH1 ARG 31 -1.528 5.567 -10.654
255 HH21 ARG 31 1HH2 ARG 31 -2.998 6.288 -13.764
256 HH22 ARG 31 2HH2 ARG 31 -2.957 6.685 -12.073
257 H ARG 32 H ARG 32 1.982 -1.483 -14.133
258 HA ARG 32 HA ARG 32 -0.421 -3.006 -14.512
259 HE ARG 32 HE ARG 32 1.438 -7.873 -15.246
260 HB2 ARG 32 2HB ARG 32 1.565 -3.418 -15.879
261 HB3 ARG 32 1HB ARG 32 2.497 -3.799 -14.445
262 HG2 ARG 32 2HG ARG 32 1.145 -5.787 -14.074
263 HG3 ARG 32 1HG ARG 32 0.175 -5.396 -15.500
264 HD2 ARG 32 2HD ARG 32 2.069 -5.637 -16.934
265 HD3 ARG 32 1HD ARG 32 3.156 -5.796 -15.558
266 HH11 ARG 32 1HH1 ARG 32 3.391 -6.750 -17.919
267 HH12 ARG 32 2HH1 ARG 32 3.695 -8.347 -18.536
268 HH21 ARG 32 1HH2 ARG 32 1.844 -9.969 -16.030
269 HH22 ARG 32 2HH2 ARG 32 2.832 -10.184 -17.451
270 H TRP 33 H TRP 33 -1.254 -2.540 -12.369
271 HA TRP 33 HA TRP 33 0.100 -3.454 -10.036
272 HD1 TRP 33 HD1 TRP 33 -2.071 -0.085 -11.258
273 HE1 TRP 33 HE1 TRP 33 -0.826 1.847 -10.095
274 HE3 TRP 33 HE3 TRP 33 -0.182 -2.635 -7.245
275 HZ2 TRP 33 HZ2 TRP 33 0.742 2.234 -7.784
276 HZ3 TRP 33 HZ3 TRP 33 1.180 -1.406 -5.607
277 HH2 TRP 33 HH2 TRP 33 1.634 0.976 -5.872
278 HB2 TRP 33 2HB TRP 33 -2.716 -2.524 -10.545
279 HB3 TRP 33 1HB TRP 33 -2.180 -3.071 -8.957
280 H VAL 34 H VAL 34 0.266 -5.396 -9.279
281 HA VAL 34 HA VAL 34 -1.773 -7.394 -9.942
282 HB VAL 34 HB VAL 34 -0.148 -9.078 -9.150
283 HG11 VAL 34 1HG1 VAL 34 0.918 -7.205 -11.263
284 HG12 VAL 34 2HG1 VAL 34 -0.206 -8.540 -11.514
285 HG13 VAL 34 3HG1 VAL 34 1.453 -8.865 -11.012
286 HG21 VAL 34 3HG2 VAL 34 1.746 -6.748 -8.890
287 HG22 VAL 34 1HG2 VAL 34 2.163 -8.449 -8.695
288 HG23 VAL 34 2HG2 VAL 34 1.065 -7.674 -7.554
289 H ALA 35 H ALA 35 -2.445 -8.831 -8.174
290 HA ALA 35 HA ALA 35 -3.590 -7.416 -6.093
291 HB1 ALA 35 3HB ALA 35 -4.397 -9.587 -6.853
292 HB2 ALA 35 1HB ALA 35 -4.150 -9.575 -5.107
293 HB3 ALA 35 2HB ALA 35 -2.978 -10.368 -6.159
294 H SER 36 H SER 36 -0.552 -9.229 -6.089
295 HA SER 36 HA SER 36 -0.083 -9.108 -3.316
296 HG SER 36 HG SER 36 2.540 -8.961 -3.148
297 HB2 SER 36 2HB SER 36 1.097 -10.630 -4.896
298 HB3 SER 36 1HB SER 36 1.989 -9.241 -5.520
299 H ARG 37 H ARG 37 0.699 -6.848 -5.918
300 HA ARG 37 HA ARG 37 2.284 -5.194 -4.160
301 HE ARG 37 HE ARG 37 5.781 -5.981 -7.092
302 HB2 ARG 37 2HB ARG 37 1.372 -4.768 -7.009
303 HB3 ARG 37 1HB ARG 37 2.378 -3.632 -6.117
304 HG2 ARG 37 2HG ARG 37 3.948 -5.614 -5.736
305 HG3 ARG 37 1HG ARG 37 3.035 -6.407 -7.017
306 HD2 ARG 37 2HD ARG 37 3.659 -4.758 -8.601
307 HD3 ARG 37 1HD ARG 37 4.330 -3.710 -7.348
308 HH11 ARG 37 1HH1 ARG 37 5.127 -3.824 -9.781
309 HH12 ARG 37 2HH1 ARG 37 6.576 -4.265 -10.637
310 HH21 ARG 37 1HH2 ARG 37 7.685 -6.529 -8.211
311 HH22 ARG 37 2HH2 ARG 37 8.017 -5.790 -9.752
312 H LYS 38 H LYS 38 -0.991 -5.274 -5.363
313 HA LYS 38 HA LYS 38 -1.819 -2.765 -4.373
314 HB2 LYS 38 2HB LYS 38 -3.327 -5.352 -4.753
315 HB3 LYS 38 1HB LYS 38 -4.094 -3.868 -4.214
316 HG2 LYS 38 2HG LYS 38 -3.309 -2.782 -6.308
317 HG3 LYS 38 1HG LYS 38 -2.748 -4.364 -6.855
318 HD2 LYS 38 2HD LYS 38 -4.976 -5.246 -6.772
319 HD3 LYS 38 1HD LYS 38 -5.580 -3.777 -6.009
320 HE2 LYS 38 2HE LYS 38 -4.976 -2.511 -8.038
321 HE3 LYS 38 1HE LYS 38 -4.459 -4.015 -8.797
322 HZ1 LYS 38 3HZ LYS 38 -6.725 -3.320 -9.419
323 HZ2 LYS 38 1HZ LYS 38 -7.213 -3.511 -7.808
324 HZ3 LYS 38 2HZ LYS 38 -6.681 -4.856 -8.693
325 H ALA 39 H ALA 39 -1.760 -5.991 -2.935
326 HA ALA 39 HA ALA 39 -2.830 -5.377 -0.441
327 HB1 ALA 39 3HB ALA 39 -0.751 -7.452 -1.121
328 HB2 ALA 39 1HB ALA 39 -2.499 -7.662 -1.218
329 HB3 ALA 39 2HB ALA 39 -1.727 -7.411 0.346
330 H ALA 40 H ALA 40 0.491 -5.165 -1.619
331 HA ALA 40 HA ALA 40 1.759 -4.601 0.812
332 HB1 ALA 40 3HB ALA 40 3.566 -3.675 -0.537
333 HB2 ALA 40 1HB ALA 40 2.504 -3.640 -1.945
334 HB3 ALA 40 2HB ALA 40 2.968 -5.182 -1.228
335 H VAL 41 H VAL 41 0.241 -2.435 -1.549
336 HA VAL 41 HA VAL 41 1.012 -0.036 -0.234
337 HB VAL 41 HB VAL 41 -1.236 -0.499 -2.199
338 HG11 VAL 41 1HG1 VAL 41 -1.565 1.564 -0.954
339 HG12 VAL 41 2HG1 VAL 41 -1.091 1.924 -2.614
340 HG13 VAL 41 3HG1 VAL 41 0.087 2.065 -1.309
341 HG21 VAL 41 3HG2 VAL 41 1.589 0.463 -2.639
342 HG22 VAL 41 1HG2 VAL 41 0.333 0.357 -3.870
343 HG23 VAL 41 2HG2 VAL 41 0.944 -1.109 -3.107
344 H VAL 42 H VAL 42 -2.044 -1.866 -0.318
345 HA VAL 42 HA VAL 42 -3.432 -0.005 1.298
346 HB VAL 42 HB VAL 42 -4.621 -1.533 -0.198
347 HG11 VAL 42 1HG1 VAL 42 -3.252 -3.527 0.086
348 HG12 VAL 42 2HG1 VAL 42 -4.957 -3.874 0.375
349 HG13 VAL 42 3HG1 VAL 42 -3.847 -3.706 1.735
350 HG21 VAL 42 3HG2 VAL 42 -5.356 -1.836 2.708
351 HG22 VAL 42 1HG2 VAL 42 -6.423 -2.183 1.349
352 HG23 VAL 42 2HG2 VAL 42 -5.852 -0.538 1.621
353 H LYS 43 H LYS 43 -1.698 -3.006 2.073
354 HA LYS 43 HA LYS 43 -2.488 -3.038 4.801
355 HB2 LYS 43 2HB LYS 43 -0.142 -4.336 3.404
356 HB3 LYS 43 1HB LYS 43 -0.527 -4.591 5.098
357 HG2 LYS 43 2HG LYS 43 -2.681 -5.551 4.485
358 HG3 LYS 43 1HG LYS 43 -2.331 -5.265 2.779
359 HD2 LYS 43 2HD LYS 43 -0.379 -6.759 2.953
360 HD3 LYS 43 1HD LYS 43 -0.781 -7.066 4.642
361 HE2 LYS 43 2HE LYS 43 -2.911 -8.037 3.971
362 HE3 LYS 43 1HE LYS 43 -2.551 -7.696 2.281
363 HZ1 LYS 43 3HZ LYS 43 -2.057 -9.979 2.713
364 HZ2 LYS 43 1HZ LYS 43 -1.113 -9.593 4.072
365 HZ3 LYS 43 2HZ LYS 43 -0.585 -9.171 2.520
366 H ALA 44 H ALA 44 0.041 -1.419 3.030
367 HA ALA 44 HA ALA 44 1.707 -0.709 5.179
368 HB1 ALA 44 3HB ALA 44 2.400 -0.475 2.850
369 HB2 ALA 44 1HB ALA 44 2.563 1.052 3.716
370 HB3 ALA 44 2HB ALA 44 1.207 0.801 2.616
371 H VAL 45 H VAL 45 -1.079 0.963 3.739
372 HA VAL 45 HA VAL 45 -0.918 3.208 5.483
373 HB VAL 45 HB VAL 45 -3.341 2.219 3.971
374 HG11 VAL 45 1HG1 VAL 45 -4.072 4.560 4.107
375 HG12 VAL 45 2HG1 VAL 45 -2.651 4.938 5.083
376 HG13 VAL 45 3HG1 VAL 45 -3.881 3.836 5.703
377 HG21 VAL 45 3HG2 VAL 45 -1.487 2.542 2.439
378 HG22 VAL 45 1HG2 VAL 45 -1.182 4.144 3.111
379 HG23 VAL 45 2HG2 VAL 45 -2.677 3.826 2.230
380 H ILE 46 H ILE 46 -2.785 0.207 5.517
381 HA ILE 46 HA ILE 46 -4.433 0.869 7.702
382 HB ILE 46 HB ILE 46 -3.599 -1.848 6.674
383 HG12 ILE 46 2HG1 ILE 46 -6.054 -0.141 6.180
384 HG13 ILE 46 1HG1 ILE 46 -4.773 -0.480 5.021
385 HG21 ILE 46 1HG2 ILE 46 -5.520 -2.747 7.867
386 HG22 ILE 46 2HG2 ILE 46 -5.885 -1.153 8.523
387 HG23 ILE 46 3HG2 ILE 46 -4.401 -1.981 8.994
388 HD11 ILE 46 3HD1 ILE 46 -6.658 -2.511 6.198
389 HD12 ILE 46 1HD1 ILE 46 -5.401 -2.827 5.001
390 HD13 ILE 46 2HD1 ILE 46 -6.774 -1.795 4.588
391 H HIS 47 H HIS 47 -1.165 -0.381 7.559
392 HA HIS 47 HA HIS 47 -1.173 -0.950 10.421
393 HD1 HIS 47 HD1 HIS 47 -1.152 -3.183 10.828
394 HD2 HIS 47 HD2 HIS 47 0.806 -3.702 7.199
395 HE1 HIS 47 HE1 HIS 47 -1.713 -5.515 10.079
396 HE2 HIS 47 HE2 HIS 47 -0.326 -5.869 8.015
397 HB2 HIS 47 2HB HIS 47 0.965 -1.263 8.316
398 HB3 HIS 47 1HB HIS 47 1.248 -1.565 10.026
399 H GLY 48 H GLY 48 -0.699 1.727 8.479
400 HA2 GLY 48 2HA GLY 48 -0.142 3.875 9.153
401 HA3 GLY 48 1HA GLY 48 0.363 3.227 10.707
402 H LEU 49 H LEU 49 1.574 1.874 7.756
403 HA LEU 49 HA LEU 49 4.289 2.617 8.382
404 HG LEU 49 HG LEU 49 5.406 2.219 5.580
405 HB2 LEU 49 2HB LEU 49 3.749 0.443 7.361
406 HB3 LEU 49 1HB LEU 49 3.090 1.260 5.958
407 HD11 LEU 49 1HD1 LEU 49 7.270 1.014 6.594
408 HD12 LEU 49 2HD1 LEU 49 6.140 0.091 7.581
409 HD13 LEU 49 3HD1 LEU 49 6.292 1.831 7.814
410 HD21 LEU 49 3HD2 LEU 49 5.006 -0.765 5.417
411 HD22 LEU 49 1HD2 LEU 49 6.227 0.151 4.538
412 HD23 LEU 49 2HD2 LEU 49 4.515 0.427 4.215
413 H ILE 50 H ILE 50 1.903 3.336 5.900
414 HA ILE 50 HA ILE 50 3.231 5.920 5.440
415 HB ILE 50 HB ILE 50 2.707 5.865 3.088
416 HG12 ILE 50 2HG1 ILE 50 1.616 3.074 3.429
417 HG13 ILE 50 1HG1 ILE 50 0.593 4.509 3.396
418 HG21 ILE 50 1HG2 ILE 50 4.096 3.981 2.307
419 HG22 ILE 50 2HG2 ILE 50 4.044 3.301 3.933
420 HG23 ILE 50 3HG2 ILE 50 4.819 4.860 3.653
421 HD11 ILE 50 3HD1 ILE 50 0.675 3.398 1.232
422 HD12 ILE 50 1HD1 ILE 50 2.425 3.615 1.185
423 HD13 ILE 50 2HD1 ILE 50 1.361 5.024 1.157
424 H THR 51 H THR 51 1.649 7.543 4.562
425 HA THR 51 HA THR 51 -0.931 7.127 5.846
426 HB THR 51 HB THR 51 0.026 9.227 6.411
427 HG1 THR 51 HG1 THR 51 -1.672 10.487 5.938
428 HG21 THR 51 3HG2 THR 51 1.617 9.465 4.587
429 HG22 THR 51 1HG2 THR 51 0.642 10.925 4.755
430 HG23 THR 51 2HG2 THR 51 0.297 9.779 3.460
431 H GLU 52 H GLU 52 -2.895 7.557 4.764
432 HA GLU 52 HA GLU 52 -3.114 6.142 2.355
433 HB2 GLU 52 2HB GLU 52 -4.825 6.689 4.288
434 HB3 GLU 52 1HB GLU 52 -5.245 8.040 3.246
435 HG2 GLU 52 2HG GLU 52 -5.977 6.628 1.526
436 HG3 GLU 52 1HG GLU 52 -5.206 5.215 2.247
437 H ARG 53 H ARG 53 -2.977 9.556 3.096
438 HA ARG 53 HA ARG 53 -3.674 10.543 0.541
439 HE ARG 53 HE ARG 53 -4.662 14.736 -0.132
440 HB2 ARG 53 2HB ARG 53 -3.222 11.659 3.007
441 HB3 ARG 53 1HB ARG 53 -1.796 12.174 2.115
442 HG2 ARG 53 2HG ARG 53 -4.646 12.627 1.260
443 HG3 ARG 53 1HG ARG 53 -3.604 13.825 2.024
444 HD2 ARG 53 2HD ARG 53 -2.086 13.751 0.143
445 HD3 ARG 53 1HD ARG 53 -3.029 12.463 -0.602
446 HH11 ARG 53 1HH1 ARG 53 -2.098 13.566 -2.194
447 HH12 ARG 53 2HH1 ARG 53 -2.557 14.539 -3.558
448 HH21 ARG 53 1HH2 ARG 53 -5.305 16.019 -1.932
449 HH22 ARG 53 2HH2 ARG 53 -4.390 15.936 -3.414
450 H GLU 54 H GLU 54 -0.678 9.461 1.995
451 HA GLU 54 HA GLU 54 1.065 10.445 -0.024
452 HB2 GLU 54 2HB GLU 54 1.964 9.885 2.158
453 HB3 GLU 54 1HB GLU 54 1.418 8.223 1.999
454 HG2 GLU 54 2HG GLU 54 2.991 7.831 0.218
455 HG3 GLU 54 1HG GLU 54 3.481 9.523 0.235
456 H ALA 55 H ALA 55 -0.561 7.355 0.542
457 HA ALA 55 HA ALA 55 0.678 5.894 -1.509
458 HB1 ALA 55 3HB ALA 55 -2.104 5.555 -0.395
459 HB2 ALA 55 1HB ALA 55 -0.631 4.840 0.259
460 HB3 ALA 55 2HB ALA 55 -1.212 4.357 -1.333
461 H LEU 56 H LEU 56 -2.280 7.825 -1.499
462 HA LEU 56 HA LEU 56 -3.040 7.274 -4.163
463 HG LEU 56 HG LEU 56 -4.270 7.743 -1.248
464 HB2 LEU 56 2HB LEU 56 -3.659 9.755 -2.563
465 HB3 LEU 56 1HB LEU 56 -4.572 9.119 -3.918
466 HD11 LEU 56 1HD1 LEU 56 -6.550 9.347 -2.390
467 HD12 LEU 56 2HD1 LEU 56 -5.568 9.744 -0.977
468 HD13 LEU 56 3HD1 LEU 56 -6.645 8.348 -0.940
469 HD21 LEU 56 3HD2 LEU 56 -6.034 7.110 -3.610
470 HD22 LEU 56 1HD2 LEU 56 -6.033 6.270 -2.059
471 HD23 LEU 56 2HD2 LEU 56 -4.614 6.197 -3.103
472 H ASP 57 H ASP 57 -0.877 9.621 -2.740
473 HA ASP 57 HA ASP 57 -0.740 11.260 -5.099
474 HB2 ASP 57 2HB ASP 57 -0.409 12.131 -2.773
475 HB3 ASP 57 1HB ASP 57 1.113 11.252 -2.714
476 H ARG 58 H ARG 58 1.524 9.058 -3.449
477 HA ARG 58 HA ARG 58 3.590 9.430 -5.352
478 HE ARG 58 HE ARG 58 5.178 4.940 -2.899
479 HB2 ARG 58 2HB ARG 58 4.750 7.612 -4.221
480 HB3 ARG 58 1HB ARG 58 4.044 8.718 -3.053
481 HG2 ARG 58 2HG ARG 58 2.152 7.128 -2.780
482 HG3 ARG 58 1HG ARG 58 3.012 5.997 -3.826
483 HD2 ARG 58 2HD ARG 58 4.091 7.123 -1.238
484 HD3 ARG 58 1HD ARG 58 3.326 5.545 -1.403
485 HH11 ARG 58 1HH1 ARG 58 5.616 7.659 -0.719
486 HH12 ARG 58 2HH1 ARG 58 7.345 7.545 -0.730
487 HH21 ARG 58 1HH2 ARG 58 7.459 4.774 -2.868
488 HH22 ARG 58 2HH2 ARG 58 8.394 5.881 -1.906
489 H TYR 59 H TYR 59 0.920 7.169 -5.208
490 HA TYR 59 HA TYR 59 2.068 5.715 -7.490
491 HD1 TYR 59 HD2 TYR 59 3.014 3.653 -6.986
492 HD2 TYR 59 HD1 TYR 59 0.492 4.230 -3.612
493 HE1 TYR 59 HE2 TYR 59 4.686 2.551 -5.558
494 HE2 TYR 59 HE1 TYR 59 2.154 3.126 -2.174
495 HH TYR 59 HH TYR 59 4.032 1.510 -2.424
496 HB2 TYR 59 2HB TYR 59 -0.227 4.978 -5.668
497 HB3 TYR 59 1HB TYR 59 0.309 4.017 -7.043
498 H SER 60 H SER 60 0.162 8.292 -7.002
499 HA SER 60 HA SER 60 -1.358 9.440 -8.237
500 HG SER 60 HG SER 60 1.155 8.956 -9.144
501 HB2 SER 60 2HB SER 60 -0.444 7.647 -10.498
502 HB3 SER 60 1HB SER 60 -1.197 9.237 -10.646
503 H LEU 61 H LEU 61 -2.690 7.918 -6.740
504 HA LEU 61 HA LEU 61 -4.588 6.392 -8.400
505 HG LEU 61 HG LEU 61 -2.156 5.030 -7.005
506 HB2 LEU 61 2HB LEU 61 -3.861 5.985 -5.494
507 HB3 LEU 61 1HB LEU 61 -5.101 5.095 -6.352
508 HD11 LEU 61 1HD1 LEU 61 -2.617 3.966 -4.873
509 HD12 LEU 61 2HD1 LEU 61 -2.234 2.755 -6.098
510 HD13 LEU 61 3HD1 LEU 61 -3.908 3.016 -5.609
511 HD21 LEU 61 3HD2 LEU 61 -4.446 3.386 -8.074
512 HD22 LEU 61 1HD2 LEU 61 -2.744 3.180 -8.478
513 HD23 LEU 61 2HD2 LEU 61 -3.590 4.653 -8.954
514 H SER 62 H SER 62 -6.687 6.139 -6.843
515 HA SER 62 HA SER 62 -7.388 8.783 -5.798
516 HG SER 62 HG SER 62 -8.455 9.597 -8.565
517 HB2 SER 62 2HB SER 62 -9.143 7.153 -7.657
518 HB3 SER 62 1HB SER 62 -9.518 8.739 -6.981
519 H GLU 63 H GLU 63 -9.356 8.696 -4.427
520 HA GLU 63 HA GLU 63 -9.313 6.768 -2.453
521 HB2 GLU 63 2HB GLU 63 -11.517 8.578 -3.403
522 HB3 GLU 63 1HB GLU 63 -11.748 7.486 -2.045
523 HG2 GLU 63 2HG GLU 63 -9.987 8.563 -0.824
524 HG3 GLU 63 1HG GLU 63 -9.621 9.606 -2.201
525 H GLU 64 H GLU 64 -11.436 6.917 -5.291
526 HA GLU 64 HA GLU 64 -13.039 4.725 -4.771
527 HB2 GLU 64 2HB GLU 64 -13.421 4.626 -7.204
528 HB3 GLU 64 1HB GLU 64 -13.511 6.266 -6.576
529 HG2 GLU 64 2HG GLU 64 -11.183 6.630 -7.357
530 HG3 GLU 64 1HG GLU 64 -11.227 5.031 -8.098
531 H GLU 65 H GLU 65 -9.823 4.818 -6.167
532 HA GLU 65 HA GLU 65 -9.726 2.082 -6.945
533 HB2 GLU 65 2HB GLU 65 -8.291 3.903 -7.877
534 HB3 GLU 65 1HB GLU 65 -7.451 3.984 -6.338
535 HG2 GLU 65 2HG GLU 65 -6.118 2.742 -7.859
536 HG3 GLU 65 1HG GLU 65 -6.754 1.629 -6.651
537 H PHE 66 H PHE 66 -8.170 3.855 -4.267
538 HA PHE 66 HA PHE 66 -7.079 1.583 -3.024
539 HD1 PHE 66 HD1 PHE 66 -4.507 2.666 -1.901
540 HD2 PHE 66 HD2 PHE 66 -7.963 3.174 0.533
541 HE1 PHE 66 HE1 PHE 66 -3.253 1.851 0.049
542 HE2 PHE 66 HE2 PHE 66 -6.707 2.358 2.484
543 HZ PHE 66 HZ PHE 66 -4.353 1.696 2.242
544 HB2 PHE 66 2HB PHE 66 -6.383 3.977 -2.670
545 HB3 PHE 66 1HB PHE 66 -7.820 4.183 -1.674
546 H ALA 67 H ALA 67 -10.189 3.175 -2.683
547 HA ALA 67 HA ALA 67 -11.072 1.899 -0.347
548 HB1 ALA 67 3HB ALA 67 -12.181 3.854 -1.358
549 HB2 ALA 67 1HB ALA 67 -13.309 2.536 -1.027
550 HB3 ALA 67 2HB ALA 67 -12.752 2.827 -2.675
551 H LEU 68 H LEU 68 -11.095 0.879 -3.720
552 HA LEU 68 HA LEU 68 -12.622 -1.490 -3.247
553 HG LEU 68 HG LEU 68 -12.717 0.691 -5.473
554 HB2 LEU 68 2HB LEU 68 -10.751 -0.775 -5.507
555 HB3 LEU 68 1HB LEU 68 -11.796 -2.181 -5.484
556 HD11 LEU 68 1HD1 LEU 68 -12.829 -1.409 -7.632
557 HD12 LEU 68 2HD1 LEU 68 -11.769 0.001 -7.610
558 HD13 LEU 68 3HD1 LEU 68 -13.516 0.212 -7.723
559 HD21 LEU 68 3HD2 LEU 68 -14.957 -0.243 -5.757
560 HD22 LEU 68 1HD2 LEU 68 -14.236 -0.755 -4.232
561 HD23 LEU 68 2HD2 LEU 68 -14.301 -1.872 -5.597
562 H TRP 69 H TRP 69 -9.174 -0.732 -3.516
563 HA TRP 69 HA TRP 69 -8.126 -3.300 -3.273
564 HD1 TRP 69 HD1 TRP 69 -8.296 -1.508 -5.263
565 HE1 TRP 69 HE1 TRP 69 -6.844 -0.755 -7.247
566 HE3 TRP 69 HE3 TRP 69 -3.853 -0.886 -2.811
567 HZ2 TRP 69 HZ2 TRP 69 -4.156 -0.010 -7.710
568 HZ3 TRP 69 HZ3 TRP 69 -1.889 -0.148 -4.095
569 HH2 TRP 69 HH2 TRP 69 -2.037 0.276 -6.497
570 HB2 TRP 69 2HB TRP 69 -7.024 -0.704 -2.178
571 HB3 TRP 69 1HB TRP 69 -6.115 -2.206 -2.272
572 H ARG 70 H ARG 70 -8.922 -0.989 -0.678
573 HA ARG 70 HA ARG 70 -8.117 -2.715 1.418
574 HE ARG 70 HE ARG 70 -9.694 0.909 3.949
575 HB2 ARG 70 2HB ARG 70 -8.961 -1.099 2.909
576 HB3 ARG 70 1HB ARG 70 -8.433 -0.175 1.512
577 HG2 ARG 70 2HG ARG 70 -10.926 -0.426 0.775
578 HG3 ARG 70 1HG ARG 70 -11.188 -0.722 2.495
579 HD2 ARG 70 2HD ARG 70 -10.012 1.719 1.192
580 HD3 ARG 70 1HD ARG 70 -11.512 1.599 2.107
581 HH11 ARG 70 1HH1 ARG 70 -9.946 3.589 1.727
582 HH12 ARG 70 2HH1 ARG 70 -8.942 4.655 2.668
583 HH21 ARG 70 1HH2 ARG 70 -8.370 2.308 5.223
584 HH22 ARG 70 2HH2 ARG 70 -8.017 3.912 4.626
585 H SER 71 H SER 71 -11.108 -2.361 -0.348
586 HA SER 71 HA SER 71 -12.701 -3.800 1.542
587 HG SER 71 HG SER 71 -14.958 -4.501 -0.401
588 HB2 SER 71 2HB SER 71 -13.512 -2.097 -0.186
589 HB3 SER 71 1HB SER 71 -13.356 -3.389 -1.373
590 H ALA 72 H ALA 72 -10.749 -4.630 -1.227
591 HA ALA 72 HA ALA 72 -11.833 -7.318 -1.362
592 HB1 ALA 72 3HB ALA 72 -11.244 -6.110 -3.422
593 HB2 ALA 72 1HB ALA 72 -10.354 -7.624 -3.258
594 HB3 ALA 72 2HB ALA 72 -9.558 -6.090 -2.913
595 H VAL 73 H VAL 73 -8.803 -5.739 -0.393
596 HA VAL 73 HA VAL 73 -7.513 -8.271 0.082
597 HB VAL 73 HB VAL 73 -6.576 -5.472 0.734
598 HG11 VAL 73 1HG1 VAL 73 -5.066 -8.085 0.732
599 HG12 VAL 73 2HG1 VAL 73 -5.483 -7.122 2.149
600 HG13 VAL 73 3HG1 VAL 73 -4.352 -6.488 0.954
601 HG21 VAL 73 3HG2 VAL 73 -6.856 -5.822 -1.656
602 HG22 VAL 73 1HG2 VAL 73 -5.910 -7.308 -1.569
603 HG23 VAL 73 2HG2 VAL 73 -5.143 -5.754 -1.250
604 H ALA 74 H ALA 74 -8.488 -5.549 2.195
605 HA ALA 74 HA ALA 74 -7.685 -6.947 4.554
606 HB1 ALA 74 3HB ALA 74 -8.579 -5.054 5.773
607 HB2 ALA 74 1HB ALA 74 -9.386 -4.472 4.316
608 HB3 ALA 74 2HB ALA 74 -7.627 -4.499 4.398
609 H ALA 75 H ALA 75 -10.776 -6.366 2.954
610 HA ALA 75 HA ALA 75 -12.208 -7.788 5.052
611 HB1 ALA 75 3HB ALA 75 -13.212 -5.786 4.083
612 HB2 ALA 75 1HB ALA 75 -14.218 -7.204 3.788
613 HB3 ALA 75 2HB ALA 75 -13.217 -6.549 2.493
614 H HIS 76 H HIS 76 -10.207 -9.087 3.241
615 HA HIS 76 HA HIS 76 -11.730 -10.906 1.604
616 HD1 HIS 76 HD1 HIS 76 -10.284 -11.475 -1.005
617 HD2 HIS 76 HD2 HIS 76 -8.605 -13.832 1.984
618 HE1 HIS 76 HE1 HIS 76 -9.856 -13.716 -2.064
619 HE2 HIS 76 HE2 HIS 76 -8.603 -15.023 -0.310
620 HB2 HIS 76 2HB HIS 76 -9.381 -10.161 1.084
621 HB3 HIS 76 1HB HIS 76 -8.830 -11.119 2.452
622 H GLY 77 H GLY 77 -10.785 -10.716 4.887
623 HA2 GLY 77 2HA GLY 77 -11.011 -13.537 5.467
624 HA3 GLY 77 1HA GLY 77 -10.931 -12.230 6.646
625 H GLU 78 H GLU 78 -13.117 -13.124 4.027
626 HA GLU 78 HA GLU 78 -15.399 -12.150 5.541
627 HB2 GLU 78 2HB GLU 78 -16.574 -12.435 3.388
628 HB3 GLU 78 1HB GLU 78 -15.111 -11.473 3.219
629 HG2 GLU 78 2HG GLU 78 -13.977 -13.687 2.579
630 HG3 GLU 78 1HG GLU 78 -15.614 -14.289 2.349
631 H LYS 79 H LYS 79 -13.864 -15.103 5.036
632 HA LYS 79 HA LYS 79 -16.294 -16.691 4.932
633 HB2 LYS 79 2HB LYS 79 -13.435 -17.657 5.050
634 HB3 LYS 79 1HB LYS 79 -14.849 -18.575 4.548
635 HG2 LYS 79 2HG LYS 79 -15.105 -17.189 2.587
636 HG3 LYS 79 1HG LYS 79 -13.771 -16.161 3.109
637 HD2 LYS 79 2HD LYS 79 -12.306 -18.207 3.023
638 HD3 LYS 79 1HD LYS 79 -13.649 -19.043 2.240
639 HE2 LYS 79 2HE LYS 79 -12.311 -16.534 1.225
640 HE3 LYS 79 1HE LYS 79 -12.025 -18.162 0.615
641 HZ1 LYS 79 3HZ LYS 79 -13.565 -16.976 -0.792
642 HZ2 LYS 79 1HZ LYS 79 -14.610 -16.694 0.512
643 HZ3 LYS 79 2HZ LYS 79 -14.357 -18.274 -0.046
644 H ALA 80 H ALA 80 -14.043 -15.530 7.214
645 HA ALA 80 HA ALA 80 -15.564 -16.687 9.369
646 HB1 ALA 80 3HB ALA 80 -12.635 -17.361 9.086
647 HB2 ALA 80 1HB ALA 80 -13.980 -18.491 8.951
648 HB3 ALA 80 2HB ALA 80 -13.638 -17.709 10.495
649 H LEU 81 H LEU 81 -16.004 -14.801 10.320
650 HA LEU 81 HA LEU 81 -14.064 -12.694 10.513
651 HG LEU 81 HG LEU 81 -15.558 -10.786 9.947
652 HB2 LEU 81 2HB LEU 81 -16.872 -13.055 11.460
653 HB3 LEU 81 1HB LEU 81 -15.892 -11.798 12.182
654 HD11 LEU 81 1HD1 LEU 81 -15.802 -12.789 8.581
655 HD12 LEU 81 2HD1 LEU 81 -16.930 -11.535 8.067
656 HD13 LEU 81 3HD1 LEU 81 -17.504 -12.900 9.027
657 HD21 LEU 81 3HD2 LEU 81 -17.354 -10.031 11.414
658 HD22 LEU 81 1HD2 LEU 81 -18.443 -11.224 10.706
659 HD23 LEU 81 2HD2 LEU 81 -17.813 -9.906 9.717
660 H LYS 82 H LYS 82 -12.401 -13.925 11.552
661 HA LYS 82 HA LYS 82 -12.595 -14.710 14.278
662 HB2 LYS 82 2HB LYS 82 -10.805 -15.436 12.680
663 HB3 LYS 82 1HB LYS 82 -10.155 -13.807 12.730
664 HG2 LYS 82 2HG LYS 82 -8.847 -15.189 14.160
665 HG3 LYS 82 1HG LYS 82 -9.787 -14.093 15.172
666 HD2 LYS 82 2HD LYS 82 -11.383 -15.853 15.646
667 HD3 LYS 82 1HD LYS 82 -10.539 -16.947 14.548
668 HE2 LYS 82 2HE LYS 82 -9.375 -15.737 17.053
669 HE3 LYS 82 1HE LYS 82 -9.995 -17.381 16.905
670 HZ1 LYS 82 3HZ LYS 82 -7.594 -17.318 16.698
671 HZ2 LYS 82 1HZ LYS 82 -7.702 -16.255 15.379
672 HZ3 LYS 82 2HZ LYS 82 -8.304 -17.840 15.247
673 H VAL 83 H VAL 83 -11.728 -13.517 16.134
674 HA VAL 83 HA VAL 83 -12.699 -10.954 16.403
675 HB VAL 83 HB VAL 83 -12.103 -12.351 18.318
676 HG11 VAL 83 1HG1 VAL 83 -10.033 -13.313 17.517
677 HG12 VAL 83 2HG1 VAL 83 -9.779 -12.533 19.077
678 HG13 VAL 83 3HG1 VAL 83 -9.242 -11.740 17.595
679 HG21 VAL 83 3HG2 VAL 83 -10.700 -9.680 18.293
680 HG22 VAL 83 1HG2 VAL 83 -11.115 -10.600 19.741
681 HG23 VAL 83 2HG2 VAL 83 -12.390 -9.979 18.693
682 H THR 84 H THR 84 -9.506 -11.943 15.324
683 HA THR 84 HA THR 84 -8.256 -9.437 15.305
684 HB THR 84 HB THR 84 -7.751 -11.689 13.357
685 HG1 THR 84 HG1 THR 84 -6.162 -12.277 15.105
686 HG21 THR 84 3HG2 THR 84 -6.524 -9.617 12.905
687 HG22 THR 84 1HG2 THR 84 -5.431 -10.888 13.458
688 HG23 THR 84 2HG2 THR 84 -5.924 -9.607 14.562
689 H MET 85 H MET 85 -10.383 -11.038 13.016
690 HA MET 85 HA MET 85 -9.878 -9.321 10.817
691 HB2 MET 85 2HB MET 85 -12.014 -11.330 11.470
692 HB3 MET 85 1HB MET 85 -12.193 -10.274 10.072
693 HG2 MET 85 2HG MET 85 -11.262 -12.422 9.443
694 HG3 MET 85 1HG MET 85 -10.113 -11.123 9.144
695 HE1 MET 85 3HE MET 85 -9.350 -14.240 9.205
696 HE2 MET 85 1HE MET 85 -7.828 -14.178 10.093
697 HE3 MET 85 2HE MET 85 -8.187 -12.954 8.873
698 H ILE 86 H ILE 86 -12.192 -9.294 13.477
699 HA ILE 86 HA ILE 86 -13.787 -7.171 12.491
700 HB ILE 86 HB ILE 86 -13.287 -8.053 15.342
701 HG12 ILE 86 2HG1 ILE 86 -15.865 -8.614 14.895
702 HG13 ILE 86 1HG1 ILE 86 -15.282 -8.712 13.237
703 HG21 ILE 86 1HG2 ILE 86 -15.187 -6.668 15.989
704 HG22 ILE 86 2HG2 ILE 86 -15.317 -6.060 14.337
705 HG23 ILE 86 3HG2 ILE 86 -13.890 -5.687 15.307
706 HD11 ILE 86 3HD1 ILE 86 -15.297 -10.886 14.295
707 HD12 ILE 86 1HD1 ILE 86 -14.232 -10.291 15.566
708 HD13 ILE 86 2HD1 ILE 86 -13.649 -10.388 13.903
709 H GLN 87 H GLN 87 -10.894 -7.279 14.509
710 HA GLN 87 HA GLN 87 -10.654 -4.528 15.005
711 HB2 GLN 87 2HB GLN 87 -9.292 -6.362 16.070
712 HB3 GLN 87 1HB GLN 87 -8.371 -6.464 14.575
713 HG2 GLN 87 2HG GLN 87 -7.842 -4.014 14.883
714 HG3 GLN 87 1HG GLN 87 -8.521 -4.168 16.503
715 HE21 GLN 87 1HE2 GLN 87 -7.476 -5.504 18.013
716 HE22 GLN 87 2HE2 GLN 87 -5.804 -5.927 17.829
717 H LYS 88 H LYS 88 -9.548 -6.546 12.322
718 HA LYS 88 HA LYS 88 -8.166 -4.525 10.921
719 HB2 LYS 88 2HB LYS 88 -9.520 -6.968 9.759
720 HB3 LYS 88 1HB LYS 88 -8.266 -6.010 8.987
721 HG2 LYS 88 2HG LYS 88 -7.990 -7.738 11.434
722 HG3 LYS 88 1HG LYS 88 -7.286 -8.013 9.841
723 HD2 LYS 88 2HD LYS 88 -5.519 -6.745 10.333
724 HD3 LYS 88 1HD LYS 88 -6.552 -5.413 10.860
725 HE2 LYS 88 2HE LYS 88 -6.811 -6.510 13.047
726 HE3 LYS 88 1HE LYS 88 -5.733 -7.797 12.513
727 HZ1 LYS 88 3HZ LYS 88 -4.634 -6.081 13.877
728 HZ2 LYS 88 1HZ LYS 88 -4.964 -4.939 12.670
729 HZ3 LYS 88 2HZ LYS 88 -3.941 -6.249 12.338
730 H TYR 89 H TYR 89 -11.526 -5.608 10.850
731 HA TYR 89 HA TYR 89 -12.383 -4.019 8.694
732 HD1 TYR 89 HD2 TYR 89 -12.800 -5.547 7.601
733 HD2 TYR 89 HD1 TYR 89 -15.113 -7.121 10.805
734 HE1 TYR 89 HE2 TYR 89 -13.012 -7.681 6.394
735 HE2 TYR 89 HE1 TYR 89 -15.327 -9.257 9.612
736 HH TYR 89 HH TYR 89 -13.435 -10.133 7.039
737 HB2 TYR 89 2HB TYR 89 -13.889 -5.089 11.087
738 HB3 TYR 89 1HB TYR 89 -14.670 -4.260 9.750
739 H ARG 90 H ARG 90 -11.972 -3.306 12.111
740 HA ARG 90 HA ARG 90 -13.355 -0.801 12.008
741 HE ARG 90 HE ARG 90 -15.007 -2.451 12.273
742 HB2 ARG 90 2HB ARG 90 -11.427 -1.903 14.055
743 HB3 ARG 90 1HB ARG 90 -12.363 -0.431 14.258
744 HG2 ARG 90 2HG ARG 90 -13.517 -3.193 13.903
745 HG3 ARG 90 1HG ARG 90 -13.331 -2.351 15.440
746 HD2 ARG 90 2HD ARG 90 -15.568 -2.015 14.843
747 HD3 ARG 90 1HD ARG 90 -14.763 -0.508 14.410
748 HH11 ARG 90 1HH1 ARG 90 -16.403 0.329 13.870
749 HH12 ARG 90 2HH1 ARG 90 -17.398 0.763 12.515
750 HH21 ARG 90 1HH2 ARG 90 -16.320 -1.873 10.478
751 HH22 ARG 90 2HH2 ARG 90 -17.329 -0.456 10.588
752 H GLN 91 H GLN 91 -9.959 -1.788 11.852
753 HA GLN 91 HA GLN 91 -9.083 0.968 11.691
754 HB2 GLN 91 2HB GLN 91 -6.819 0.043 11.551
755 HB3 GLN 91 1HB GLN 91 -7.708 -0.615 12.914
756 HG2 GLN 91 2HG GLN 91 -8.192 -2.626 11.494
757 HG3 GLN 91 1HG GLN 91 -7.065 -1.967 10.310
758 HE21 GLN 91 1HE2 GLN 91 -6.696 -1.741 13.811
759 HE22 GLN 91 2HE2 GLN 91 -5.286 -2.737 13.899
760 H LEU 92 H LEU 92 -10.274 -1.304 9.570
761 HA LEU 92 HA LEU 92 -8.989 -0.495 7.169
762 HG LEU 92 HG LEU 92 -10.407 -1.191 5.065
763 HB2 LEU 92 2HB LEU 92 -10.231 -2.578 7.297
764 HB3 LEU 92 1HB LEU 92 -11.698 -1.724 7.719
765 HD11 LEU 92 1HD1 LEU 92 -10.523 -3.618 5.218
766 HD12 LEU 92 2HD1 LEU 92 -11.742 -3.010 4.099
767 HD13 LEU 92 3HD1 LEU 92 -12.209 -3.518 5.722
768 HD21 LEU 92 3HD2 LEU 92 -12.289 0.198 5.786
769 HD22 LEU 92 1HD2 LEU 92 -13.268 -1.248 6.021
770 HD23 LEU 92 2HD2 LEU 92 -12.729 -0.802 4.401
771 H HIS 93 H HIS 93 -11.604 0.701 9.115
772 HA HIS 93 HA HIS 93 -12.512 2.597 7.139
773 HD1 HIS 93 HD1 HIS 93 -15.374 3.413 7.160
774 HD2 HIS 93 HD2 HIS 93 -13.860 4.802 10.778
775 HE1 HIS 93 HE1 HIS 93 -16.486 5.635 7.555
776 HE2 HIS 93 HE2 HIS 93 -15.723 6.338 9.854
777 HB2 HIS 93 2HB HIS 93 -14.141 1.604 8.655
778 HB3 HIS 93 1HB HIS 93 -13.256 2.217 10.048
779 H HIS 94 H HIS 94 -11.792 4.594 6.883
780 HA HIS 94 HA HIS 94 -10.284 5.840 9.087
781 HD1 HIS 94 HD1 HIS 94 -7.001 5.229 5.874
782 HD2 HIS 94 HD2 HIS 94 -8.524 4.731 9.721
783 HE1 HIS 94 HE1 HIS 94 -5.256 3.932 7.141
784 HE2 HIS 94 HE2 HIS 94 -6.247 3.531 9.420
785 HB2 HIS 94 2HB HIS 94 -9.605 5.695 6.169
786 HB3 HIS 94 1HB HIS 94 -9.078 7.076 7.121
787 H HIS 95 H HIS 95 -9.994 8.312 8.417
788 HA HIS 95 HA HIS 95 -12.141 9.555 7.047
789 HD1 HIS 95 HD1 HIS 95 -11.491 11.648 10.673
790 HD2 HIS 95 HD2 HIS 95 -12.438 7.649 11.304
791 HE1 HIS 95 HE1 HIS 95 -10.690 11.122 13.000
792 HE2 HIS 95 HE2 HIS 95 -11.321 8.711 13.385
793 HB2 HIS 95 2HB HIS 95 -13.258 10.602 8.980
794 HB3 HIS 95 1HB HIS 95 -13.426 8.852 9.029
Start of MODEL 11
1 HA MET 1 HA MET 1 3.781 18.076 12.330
2 H1 MET 1 1H MET 1 1.926 16.735 11.721
3 H2 MET 1 2H MET 1 3.244 15.725 12.062
4 H3 MET 1 3H MET 1 2.794 16.013 10.458
5 HB2 MET 1 2HB MET 1 5.510 16.405 11.704
6 HB3 MET 1 1HB MET 1 5.187 16.731 10.008
7 HG2 MET 1 2HG MET 1 7.212 17.849 10.863
8 HG3 MET 1 1HG MET 1 6.015 18.966 10.213
9 HE1 MET 1 3HE MET 1 8.454 19.887 12.018
10 HE2 MET 1 1HE MET 1 7.665 21.021 13.113
11 HE3 MET 1 2HE MET 1 7.242 21.010 11.402
12 H TYR 2 H TYR 2 4.450 20.048 11.040
13 HA TYR 2 HA TYR 2 2.332 21.031 9.497
14 HD1 TYR 2 HD2 TYR 2 1.800 23.526 9.846
15 HD2 TYR 2 HD1 TYR 2 5.493 23.446 7.734
16 HE1 TYR 2 HE2 TYR 2 1.076 25.459 8.513
17 HE2 TYR 2 HE1 TYR 2 4.774 25.378 6.396
18 HH TYR 2 HH TYR 2 2.081 27.280 7.226
19 HB2 TYR 2 2HB TYR 2 3.993 22.415 10.750
20 HB3 TYR 2 1HB TYR 2 5.198 22.012 9.533
21 H LEU 3 H LEU 3 1.870 20.958 7.377
22 HA LEU 3 HA LEU 3 1.919 20.361 5.182
23 HG LEU 3 HG LEU 3 3.936 22.637 5.784
24 HB2 LEU 3 2HB LEU 3 4.913 20.392 5.579
25 HB3 LEU 3 1HB LEU 3 4.123 20.188 4.027
26 HD11 LEU 3 1HD1 LEU 3 5.250 23.719 4.046
27 HD12 LEU 3 2HD1 LEU 3 5.368 22.196 3.169
28 HD13 LEU 3 3HD1 LEU 3 6.134 22.365 4.748
29 HD21 LEU 3 3HD2 LEU 3 1.895 22.290 4.514
30 HD22 LEU 3 1HD2 LEU 3 2.832 22.094 3.033
31 HD23 LEU 3 2HD2 LEU 3 2.807 23.651 3.861
32 H LYS 4 H LYS 4 1.606 18.457 7.210
33 HA LYS 4 HA LYS 4 1.422 16.240 7.567
34 HB2 LYS 4 2HB LYS 4 2.491 15.980 4.750
35 HB3 LYS 4 1HB LYS 4 1.875 14.644 5.713
36 HG2 LYS 4 2HG LYS 4 0.289 17.053 4.848
37 HG3 LYS 4 1HG LYS 4 0.220 15.452 4.111
38 HD2 LYS 4 2HD LYS 4 -0.591 14.511 6.213
39 HD3 LYS 4 1HD LYS 4 -0.499 16.105 6.968
40 HE2 LYS 4 2HE LYS 4 -2.234 15.369 4.612
41 HE3 LYS 4 1HE LYS 4 -2.788 15.545 6.276
42 HZ1 LYS 4 3HZ LYS 4 -1.549 17.717 4.664
43 HZ2 LYS 4 1HZ LYS 4 -2.197 17.867 6.224
44 HZ3 LYS 4 2HZ LYS 4 -3.214 17.525 4.913
45 H ARG 5 H ARG 5 4.252 15.990 5.472
46 HA ARG 5 HA ARG 5 6.384 15.331 5.812
47 HE ARG 5 HE ARG 5 8.086 17.872 6.216
48 HB2 ARG 5 2HB ARG 5 6.466 17.334 7.255
49 HB3 ARG 5 1HB ARG 5 5.975 16.349 8.625
50 HG2 ARG 5 2HG ARG 5 8.375 16.775 8.613
51 HG3 ARG 5 1HG ARG 5 8.016 15.057 8.469
52 HD2 ARG 5 2HD ARG 5 9.834 15.800 6.964
53 HD3 ARG 5 1HD ARG 5 8.460 15.110 6.103
54 HH11 ARG 5 1HH1 ARG 5 10.340 15.596 4.839
55 HH12 ARG 5 2HH1 ARG 5 10.672 16.554 3.433
56 HH21 ARG 5 1HH2 ARG 5 8.514 19.166 4.349
57 HH22 ARG 5 2HH2 ARG 5 9.634 18.591 3.150
58 H VAL 6 H VAL 6 7.172 13.350 5.993
59 HA VAL 6 HA VAL 6 5.559 11.418 7.431
60 HB VAL 6 HB VAL 6 7.910 10.940 5.589
61 HG11 VAL 6 1HG1 VAL 6 7.042 8.643 5.461
62 HG12 VAL 6 2HG1 VAL 6 5.815 9.049 6.659
63 HG13 VAL 6 3HG1 VAL 6 7.520 9.076 7.103
64 HG21 VAL 6 3HG2 VAL 6 6.047 12.059 4.457
65 HG22 VAL 6 1HG2 VAL 6 4.950 10.797 5.017
66 HG23 VAL 6 2HG2 VAL 6 6.249 10.403 3.890
67 H ASP 7 H ASP 7 6.011 11.164 9.514
68 HA ASP 7 HA ASP 7 8.715 10.234 10.150
69 HB2 ASP 7 2HB ASP 7 8.738 12.401 11.152
70 HB3 ASP 7 1HB ASP 7 7.101 12.206 11.775
71 H GLY 8 H GLY 8 8.578 8.215 10.829
72 HA2 GLY 8 2HA GLY 8 6.973 7.270 12.879
73 HA3 GLY 8 1HA GLY 8 6.089 6.975 11.386
74 HA PRO 9 HA PRO 9 8.757 3.305 11.885
75 HB2 PRO 9 2HB PRO 9 6.598 1.869 10.574
76 HB3 PRO 9 1HB PRO 9 7.227 1.668 12.211
77 HG2 PRO 9 2HG PRO 9 4.759 2.676 11.677
78 HG3 PRO 9 1HG PRO 9 5.698 3.111 13.117
79 HD2 PRO 9 2HD PRO 9 5.333 4.630 10.559
80 HD3 PRO 9 1HD PRO 9 5.358 5.228 12.233
81 H ARG 10 H ARG 10 10.136 2.515 10.398
82 HA ARG 10 HA ARG 10 9.669 3.191 7.598
83 HE ARG 10 HE ARG 10 13.861 4.653 10.002
84 HB2 ARG 10 2HB ARG 10 12.068 2.347 9.171
85 HB3 ARG 10 1HB ARG 10 12.050 2.084 7.433
86 HG2 ARG 10 2HG ARG 10 11.654 4.473 7.075
87 HG3 ARG 10 1HG ARG 10 11.692 4.734 8.821
88 HD2 ARG 10 2HD ARG 10 13.974 3.516 7.282
89 HD3 ARG 10 1HD ARG 10 13.828 5.247 7.580
90 HH11 ARG 10 1HH1 ARG 10 15.280 2.502 7.635
91 HH12 ARG 10 2HH1 ARG 10 16.422 1.817 8.747
92 HH21 ARG 10 1HH2 ARG 10 15.354 3.776 11.469
93 HH22 ARG 10 2HH2 ARG 10 16.459 2.534 10.947
94 H GLN 11 H GLN 11 9.189 0.642 9.709
95 HA GLN 11 HA GLN 11 8.282 -0.997 7.529
96 HB2 GLN 11 2HB GLN 11 9.481 -3.016 8.218
97 HB3 GLN 11 1HB GLN 11 10.586 -1.756 7.695
98 HG2 GLN 11 2HG GLN 11 11.150 -1.247 9.994
99 HG3 GLN 11 1HG GLN 11 9.967 -2.422 10.569
100 HE21 GLN 11 1HE2 GLN 11 11.496 -3.642 11.656
101 HE22 GLN 11 2HE2 GLN 11 12.646 -4.637 10.819
102 H VAL 12 H VAL 12 6.560 -2.165 8.035
103 HA VAL 12 HA VAL 12 5.767 -2.253 10.872
104 HB VAL 12 HB VAL 12 3.398 -2.275 10.049
105 HG11 VAL 12 1HG1 VAL 12 5.056 0.153 9.383
106 HG12 VAL 12 2HG1 VAL 12 4.357 -0.245 10.954
107 HG13 VAL 12 3HG1 VAL 12 3.305 0.144 9.592
108 HG21 VAL 12 3HG2 VAL 12 3.804 -2.995 7.757
109 HG22 VAL 12 1HG2 VAL 12 4.669 -1.494 7.426
110 HG23 VAL 12 2HG2 VAL 12 2.943 -1.458 7.788
111 H THR 13 H THR 13 4.267 -4.029 11.408
112 HA THR 13 HA THR 13 5.257 -6.486 10.162
113 HB THR 13 HB THR 13 3.564 -6.356 12.645
114 HG1 THR 13 HG1 THR 13 5.732 -5.005 12.439
115 HG21 THR 13 3HG2 THR 13 4.033 -8.564 11.656
116 HG22 THR 13 1HG2 THR 13 4.806 -8.383 13.230
117 HG23 THR 13 2HG2 THR 13 5.763 -8.234 11.757
118 H LEU 14 H LEU 14 3.943 -7.967 9.188
119 HA LEU 14 HA LEU 14 1.166 -7.170 8.694
120 HG LEU 14 HG LEU 14 2.452 -8.079 5.300
121 HB2 LEU 14 2HB LEU 14 2.923 -9.278 7.429
122 HB3 LEU 14 1HB LEU 14 1.223 -9.101 7.057
123 HD11 LEU 14 1HD1 LEU 14 0.462 -6.865 5.992
124 HD12 LEU 14 2HD1 LEU 14 1.707 -5.771 5.384
125 HD13 LEU 14 3HD1 LEU 14 1.430 -5.914 7.120
126 HD21 LEU 14 3HD2 LEU 14 4.574 -7.788 6.427
127 HD22 LEU 14 1HD2 LEU 14 3.890 -6.495 7.410
128 HD23 LEU 14 2HD2 LEU 14 4.057 -6.281 5.669
129 HA PRO 15 HA PRO 15 -0.431 -10.375 11.371
130 HB2 PRO 15 2HB PRO 15 -2.739 -10.991 10.053
131 HB3 PRO 15 1HB PRO 15 -2.554 -9.534 11.036
132 HG2 PRO 15 2HG PRO 15 -2.400 -9.859 8.073
133 HG3 PRO 15 1HG PRO 15 -3.138 -8.558 9.022
134 HD2 PRO 15 2HD PRO 15 -0.702 -8.329 7.830
135 HD3 PRO 15 1HD PRO 15 -1.129 -7.475 9.325
136 H ASP 16 H ASP 16 0.444 -10.731 8.145
137 HA ASP 16 HA ASP 16 0.055 -13.586 7.948
138 HB2 ASP 16 2HB ASP 16 1.731 -11.833 6.139
139 HB3 ASP 16 1HB ASP 16 0.982 -13.377 5.754
140 H GLY 17 H GLY 17 2.169 -11.618 9.544
141 HA2 GLY 17 2HA GLY 17 4.045 -12.221 10.778
142 HA3 GLY 17 1HA GLY 17 4.098 -13.748 9.908
143 H THR 18 H THR 18 3.820 -10.970 7.969
144 HA THR 18 HA THR 18 6.601 -11.282 7.094
145 HB THR 18 HB THR 18 4.527 -9.648 5.650
146 HG1 THR 18 HG1 THR 18 4.722 -12.484 5.785
147 HG21 THR 18 3HG2 THR 18 6.844 -11.356 4.720
148 HG22 THR 18 1HG2 THR 18 6.815 -9.591 4.805
149 HG23 THR 18 2HG2 THR 18 5.764 -10.440 3.670
150 H VAL 19 H VAL 19 7.667 -9.177 6.357
151 HA VAL 19 HA VAL 19 6.894 -6.942 8.112
152 HB VAL 19 HB VAL 19 9.673 -7.698 7.180
153 HG11 VAL 19 1HG1 VAL 19 10.447 -5.794 8.523
154 HG12 VAL 19 2HG1 VAL 19 8.772 -5.340 8.837
155 HG13 VAL 19 3HG1 VAL 19 9.410 -5.274 7.194
156 HG21 VAL 19 3HG2 VAL 19 10.123 -7.947 9.598
157 HG22 VAL 19 1HG2 VAL 19 8.916 -9.090 9.006
158 HG23 VAL 19 2HG2 VAL 19 8.411 -7.668 9.920
159 H LEU 20 H LEU 20 6.381 -5.108 7.121
160 HA LEU 20 HA LEU 20 7.018 -4.864 4.253
161 HG LEU 20 HG LEU 20 5.085 -2.168 4.298
162 HB2 LEU 20 2HB LEU 20 4.676 -5.149 4.481
163 HB3 LEU 20 1HB LEU 20 4.592 -4.037 5.832
164 HD11 LEU 20 1HD1 LEU 20 4.964 -2.546 1.874
165 HD12 LEU 20 2HD1 LEU 20 4.910 -4.287 2.156
166 HD13 LEU 20 3HD1 LEU 20 6.348 -3.367 2.598
167 HD21 LEU 20 3HD2 LEU 20 2.786 -2.751 4.829
168 HD22 LEU 20 1HD2 LEU 20 2.756 -3.904 3.494
169 HD23 LEU 20 2HD2 LEU 20 2.917 -2.178 3.166
170 H SER 21 H SER 21 8.678 -3.495 4.096
171 HA SER 21 HA SER 21 8.788 -1.178 5.858
172 HG SER 21 HG SER 21 10.808 -3.085 3.335
173 HB2 SER 21 2HB SER 21 11.053 -0.896 5.090
174 HB3 SER 21 1HB SER 21 10.820 -2.601 5.452
175 H ARG 22 H ARG 22 9.444 0.936 4.782
176 HA ARG 22 HA ARG 22 7.494 1.569 2.798
177 HE ARG 22 HE ARG 22 6.374 5.455 4.126
178 HB2 ARG 22 2HB ARG 22 9.808 3.226 3.815
179 HB3 ARG 22 1HB ARG 22 8.483 3.832 2.829
180 HG2 ARG 22 2HG ARG 22 6.921 3.133 4.651
181 HG3 ARG 22 1HG ARG 22 8.335 2.765 5.639
182 HD2 ARG 22 2HD ARG 22 7.635 4.937 6.256
183 HD3 ARG 22 1HD ARG 22 9.077 5.141 5.262
184 HH11 ARG 22 1HH1 ARG 22 9.605 6.656 4.709
185 HH12 ARG 22 2HH1 ARG 22 9.374 8.097 3.765
186 HH21 ARG 22 1HH2 ARG 22 6.056 7.361 2.869
187 HH22 ARG 22 2HH2 ARG 22 7.366 8.499 2.716
188 H ALA 23 H ALA 23 10.571 0.228 2.647
189 HA ALA 23 HA ALA 23 10.987 1.048 -0.129
190 HB1 ALA 23 3HB ALA 23 12.725 -0.609 1.693
191 HB2 ALA 23 1HB ALA 23 12.932 1.104 1.332
192 HB3 ALA 23 2HB ALA 23 13.141 -0.096 0.058
193 H ASP 24 H ASP 24 9.549 -1.443 1.673
194 HA ASP 24 HA ASP 24 9.845 -3.456 -0.395
195 HB2 ASP 24 2HB ASP 24 8.433 -3.382 2.250
196 HB3 ASP 24 1HB ASP 24 8.015 -4.618 1.067
197 H LEU 25 H LEU 25 7.974 -0.759 0.122
198 HA LEU 25 HA LEU 25 5.522 -1.488 -1.042
199 HG LEU 25 HG LEU 25 5.972 0.297 1.228
200 HB2 LEU 25 2HB LEU 25 7.018 1.116 -0.880
201 HB3 LEU 25 1HB LEU 25 5.455 0.991 -1.664
202 HD11 LEU 25 1HD1 LEU 25 6.259 2.700 0.772
203 HD12 LEU 25 2HD1 LEU 25 4.837 2.372 1.761
204 HD13 LEU 25 3HD1 LEU 25 4.652 2.738 0.047
205 HD21 LEU 25 3HD2 LEU 25 3.537 0.268 1.386
206 HD22 LEU 25 1HD2 LEU 25 4.113 -0.927 0.226
207 HD23 LEU 25 2HD2 LEU 25 3.416 0.590 -0.343
208 HA PRO 26 HA PRO 26 6.504 -2.362 -5.256
209 HB2 PRO 26 2HB PRO 26 4.233 -1.207 -6.391
210 HB3 PRO 26 1HB PRO 26 4.334 -2.852 -5.755
211 HG2 PRO 26 2HG PRO 26 3.283 -0.380 -4.454
212 HG3 PRO 26 1HG PRO 26 2.656 -2.038 -4.395
213 HD2 PRO 26 2HD PRO 26 4.020 -1.018 -2.342
214 HD3 PRO 26 1HD PRO 26 4.248 -2.712 -2.833
215 HA PRO 27 HA PRO 27 8.556 1.272 -6.601
216 HB2 PRO 27 2HB PRO 27 8.905 0.616 -9.243
217 HB3 PRO 27 1HB PRO 27 9.905 -0.001 -7.925
218 HG2 PRO 27 2HG PRO 27 7.605 -1.294 -9.328
219 HG3 PRO 27 1HG PRO 27 9.139 -2.007 -8.793
220 HD2 PRO 27 2HD PRO 27 6.851 -2.346 -7.415
221 HD3 PRO 27 1HD PRO 27 8.425 -2.211 -6.607
222 H LEU 28 H LEU 28 8.323 3.134 -7.890
223 HA LEU 28 HA LEU 28 5.640 3.918 -8.380
224 HG LEU 28 HG LEU 28 8.339 4.989 -6.916
225 HB2 LEU 28 2HB LEU 28 8.162 5.273 -9.341
226 HB3 LEU 28 1HB LEU 28 6.581 6.008 -9.149
227 HD11 LEU 28 1HD1 LEU 28 7.610 7.790 -7.753
228 HD12 LEU 28 2HD1 LEU 28 9.191 7.029 -7.916
229 HD13 LEU 28 3HD1 LEU 28 8.530 7.354 -6.313
230 HD21 LEU 28 3HD2 LEU 28 5.670 6.391 -6.813
231 HD22 LEU 28 1HD2 LEU 28 6.690 6.005 -5.426
232 HD23 LEU 28 2HD2 LEU 28 5.980 4.708 -6.386
233 H ASP 29 H ASP 29 8.074 2.440 -10.264
234 HA ASP 29 HA ASP 29 7.189 3.075 -12.867
235 HB2 ASP 29 2HB ASP 29 9.403 2.162 -12.453
236 HB3 ASP 29 1HB ASP 29 8.707 0.688 -11.796
237 H THR 30 H THR 30 5.916 1.001 -10.463
238 HA THR 30 HA THR 30 4.685 -0.931 -12.113
239 HB THR 30 HB THR 30 4.062 -0.023 -9.307
240 HG1 THR 30 HG1 THR 30 5.836 -1.793 -10.454
241 HG21 THR 30 3HG2 THR 30 2.067 -1.000 -10.385
242 HG22 THR 30 1HG2 THR 30 2.688 -2.003 -9.074
243 HG23 THR 30 2HG2 THR 30 3.003 -2.451 -10.750
244 H ARG 31 H ARG 31 3.243 -0.470 -13.616
245 HA ARG 31 HA ARG 31 0.974 1.232 -12.853
246 HE ARG 31 HE ARG 31 -2.446 2.244 -15.578
247 HB2 ARG 31 2HB ARG 31 2.038 1.878 -14.967
248 HB3 ARG 31 1HB ARG 31 1.807 0.248 -15.592
249 HG2 ARG 31 2HG ARG 31 0.126 1.769 -16.467
250 HG3 ARG 31 1HG ARG 31 -0.604 0.522 -15.454
251 HD2 ARG 31 2HD ARG 31 -0.337 2.281 -13.556
252 HD3 ARG 31 1HD ARG 31 -0.211 3.435 -14.885
253 HH11 ARG 31 1HH1 ARG 31 -1.380 3.207 -12.381
254 HH12 ARG 31 2HH1 ARG 31 -2.993 3.413 -11.763
255 HH21 ARG 31 1HH2 ARG 31 -4.592 2.475 -14.745
256 HH22 ARG 31 2HH2 ARG 31 -4.811 2.949 -13.080
257 H ARG 32 H ARG 32 1.868 -1.920 -14.184
258 HA ARG 32 HA ARG 32 -0.753 -2.993 -14.125
259 HE ARG 32 HE ARG 32 -0.729 -7.929 -14.710
260 HB2 ARG 32 2HB ARG 32 1.049 -3.983 -15.473
261 HB3 ARG 32 1HB ARG 32 1.904 -4.427 -14.002
262 HG2 ARG 32 2HG ARG 32 0.018 -5.867 -13.365
263 HG3 ARG 32 1HG ARG 32 -0.781 -5.456 -14.881
264 HD2 ARG 32 2HD ARG 32 1.058 -6.434 -16.132
265 HD3 ARG 32 1HD ARG 32 1.902 -6.803 -14.628
266 HH11 ARG 32 1HH1 ARG 32 2.578 -8.385 -15.758
267 HH12 ARG 32 2HH1 ARG 32 2.439 -10.115 -15.870
268 HH21 ARG 32 1HH2 ARG 32 -0.926 -10.200 -14.867
269 HH22 ARG 32 2HH2 ARG 32 0.437 -11.152 -15.382
270 H TRP 33 H TRP 33 -1.562 -2.364 -12.123
271 HA TRP 33 HA TRP 33 -0.412 -3.315 -9.687
272 HD1 TRP 33 HD1 TRP 33 -2.347 0.287 -11.060
273 HE1 TRP 33 HE1 TRP 33 -0.809 2.095 -10.060
274 HE3 TRP 33 HE3 TRP 33 -0.355 -2.397 -7.205
275 HZ2 TRP 33 HZ2 TRP 33 1.003 2.343 -7.906
276 HZ3 TRP 33 HZ3 TRP 33 1.270 -1.308 -5.719
277 HH2 TRP 33 HH2 TRP 33 1.938 1.013 -6.067
278 HB2 TRP 33 2HB TRP 33 -3.079 -2.085 -10.349
279 HB3 TRP 33 1HB TRP 33 -2.640 -2.585 -8.720
280 H VAL 34 H VAL 34 -0.200 -5.483 -9.633
281 HA VAL 34 HA VAL 34 -2.518 -7.185 -10.051
282 HB VAL 34 HB VAL 34 -1.013 -9.043 -9.425
283 HG11 VAL 34 1HG1 VAL 34 -1.141 -8.384 -11.752
284 HG12 VAL 34 2HG1 VAL 34 0.504 -8.882 -11.356
285 HG13 VAL 34 3HG1 VAL 34 0.111 -7.168 -11.501
286 HG21 VAL 34 3HG2 VAL 34 1.076 -6.890 -9.128
287 HG22 VAL 34 1HG2 VAL 34 1.373 -8.628 -9.080
288 HG23 VAL 34 2HG2 VAL 34 0.394 -7.862 -7.826
289 H ALA 35 H ALA 35 -2.842 -8.905 -8.235
290 HA ALA 35 HA ALA 35 -3.947 -7.564 -6.044
291 HB1 ALA 35 3HB ALA 35 -4.676 -9.779 -6.836
292 HB2 ALA 35 1HB ALA 35 -4.372 -9.745 -5.099
293 HB3 ALA 35 2HB ALA 35 -3.192 -10.479 -6.185
294 H SER 36 H SER 36 -0.873 -9.274 -6.352
295 HA SER 36 HA SER 36 -0.076 -9.242 -3.682
296 HG SER 36 HG SER 36 0.356 -11.219 -5.254
297 HB2 SER 36 2HB SER 36 1.835 -8.896 -5.984
298 HB3 SER 36 1HB SER 36 2.075 -9.792 -4.485
299 H ARG 37 H ARG 37 0.588 -6.881 -6.257
300 HA ARG 37 HA ARG 37 2.142 -5.173 -4.602
301 HE ARG 37 HE ARG 37 5.376 -5.180 -8.077
302 HB2 ARG 37 2HB ARG 37 0.906 -4.832 -7.324
303 HB3 ARG 37 1HB ARG 37 1.813 -3.543 -6.542
304 HG2 ARG 37 2HG ARG 37 3.772 -4.990 -6.415
305 HG3 ARG 37 1HG ARG 37 2.866 -6.290 -7.188
306 HD2 ARG 37 2HD ARG 37 2.710 -5.092 -9.222
307 HD3 ARG 37 1HD ARG 37 3.271 -3.600 -8.467
308 HH11 ARG 37 1HH1 ARG 37 3.439 -4.702 -10.964
309 HH12 ARG 37 2HH1 ARG 37 4.772 -4.968 -12.049
310 HH21 ARG 37 1HH2 ARG 37 7.113 -5.528 -9.507
311 HH22 ARG 37 2HH2 ARG 37 6.849 -5.454 -11.223
312 H LYS 38 H LYS 38 -1.240 -5.171 -5.613
313 HA LYS 38 HA LYS 38 -1.967 -2.690 -4.507
314 HB2 LYS 38 2HB LYS 38 -3.584 -5.208 -4.910
315 HB3 LYS 38 1HB LYS 38 -4.278 -3.700 -4.337
316 HG2 LYS 38 2HG LYS 38 -3.618 -2.603 -6.420
317 HG3 LYS 38 1HG LYS 38 -2.928 -4.124 -6.996
318 HD2 LYS 38 2HD LYS 38 -5.157 -5.171 -6.767
319 HD3 LYS 38 1HD LYS 38 -5.821 -3.607 -6.305
320 HE2 LYS 38 2HE LYS 38 -4.366 -4.015 -8.898
321 HE3 LYS 38 1HE LYS 38 -6.086 -4.345 -8.743
322 HZ1 LYS 38 3HZ LYS 38 -4.728 -1.733 -8.352
323 HZ2 LYS 38 1HZ LYS 38 -6.360 -2.012 -7.994
324 HZ3 LYS 38 2HZ LYS 38 -5.809 -2.156 -9.587
325 H ALA 39 H ALA 39 -1.849 -5.937 -3.112
326 HA ALA 39 HA ALA 39 -3.005 -5.339 -0.629
327 HB1 ALA 39 3HB ALA 39 -0.949 -7.457 -1.242
328 HB2 ALA 39 1HB ALA 39 -2.689 -7.618 -1.480
329 HB3 ALA 39 2HB ALA 39 -2.038 -7.419 0.146
330 H ALA 40 H ALA 40 0.377 -5.288 -1.683
331 HA ALA 40 HA ALA 40 1.564 -4.748 0.790
332 HB1 ALA 40 3HB ALA 40 3.475 -3.956 -0.462
333 HB2 ALA 40 1HB ALA 40 2.484 -3.762 -1.911
334 HB3 ALA 40 2HB ALA 40 2.795 -5.374 -1.264
335 H VAL 41 H VAL 41 0.205 -2.537 -1.625
336 HA VAL 41 HA VAL 41 1.021 -0.152 -0.330
337 HB VAL 41 HB VAL 41 -1.275 -0.574 -2.253
338 HG11 VAL 41 1HG1 VAL 41 -1.501 1.502 -0.972
339 HG12 VAL 41 2HG1 VAL 41 -1.138 1.822 -2.669
340 HG13 VAL 41 3HG1 VAL 41 0.128 1.973 -1.452
341 HG21 VAL 41 3HG2 VAL 41 0.899 -1.227 -3.167
342 HG22 VAL 41 1HG2 VAL 41 1.547 0.358 -2.750
343 HG23 VAL 41 2HG2 VAL 41 0.265 0.216 -3.955
344 H VAL 42 H VAL 42 -2.076 -1.919 -0.328
345 HA VAL 42 HA VAL 42 -3.382 -0.017 1.316
346 HB VAL 42 HB VAL 42 -4.617 -1.569 -0.146
347 HG11 VAL 42 1HG1 VAL 42 -5.050 -3.871 0.589
348 HG12 VAL 42 2HG1 VAL 42 -3.858 -3.672 1.871
349 HG13 VAL 42 3HG1 VAL 42 -3.355 -3.605 0.183
350 HG21 VAL 42 3HG2 VAL 42 -5.342 -1.716 2.772
351 HG22 VAL 42 1HG2 VAL 42 -6.430 -2.076 1.432
352 HG23 VAL 42 2HG2 VAL 42 -5.791 -0.446 1.635
353 H LYS 43 H LYS 43 -1.633 -3.016 2.058
354 HA LYS 43 HA LYS 43 -2.321 -3.048 4.814
355 HB2 LYS 43 2HB LYS 43 0.023 -4.271 3.352
356 HB3 LYS 43 1HB LYS 43 -0.313 -4.544 5.053
357 HG2 LYS 43 2HG LYS 43 -2.460 -5.562 4.472
358 HG3 LYS 43 1HG LYS 43 -2.119 -5.290 2.761
359 HD2 LYS 43 2HD LYS 43 -0.126 -6.717 2.945
360 HD3 LYS 43 1HD LYS 43 -0.490 -6.994 4.647
361 HE2 LYS 43 2HE LYS 43 -2.620 -8.039 4.006
362 HE3 LYS 43 1HE LYS 43 -2.220 -7.788 2.307
363 HZ1 LYS 43 3HZ LYS 43 -0.792 -9.537 4.248
364 HZ2 LYS 43 1HZ LYS 43 -0.205 -9.170 2.698
365 HZ3 LYS 43 2HZ LYS 43 -1.661 -10.017 2.873
366 H ALA 44 H ALA 44 0.055 -1.316 2.973
367 HA ALA 44 HA ALA 44 1.802 -0.603 5.071
368 HB1 ALA 44 3HB ALA 44 2.582 1.159 3.580
369 HB2 ALA 44 1HB ALA 44 1.185 0.899 2.531
370 HB3 ALA 44 2HB ALA 44 2.398 -0.366 2.718
371 H VAL 45 H VAL 45 -0.919 1.173 3.610
372 HA VAL 45 HA VAL 45 -0.843 3.316 5.468
373 HB VAL 45 HB VAL 45 -3.214 2.336 3.864
374 HG11 VAL 45 1HG1 VAL 45 -2.646 5.025 5.107
375 HG12 VAL 45 2HG1 VAL 45 -3.809 3.835 5.700
376 HG13 VAL 45 3HG1 VAL 45 -4.058 4.605 4.132
377 HG21 VAL 45 3HG2 VAL 45 -1.336 2.815 2.401
378 HG22 VAL 45 1HG2 VAL 45 -1.119 4.387 3.163
379 HG23 VAL 45 2HG2 VAL 45 -2.578 4.056 2.230
380 H ILE 46 H ILE 46 -2.585 0.292 5.291
381 HA ILE 46 HA ILE 46 -4.369 0.618 7.389
382 HB ILE 46 HB ILE 46 -3.225 -1.671 5.908
383 HG12 ILE 46 2HG1 ILE 46 -6.039 -0.849 6.642
384 HG13 ILE 46 1HG1 ILE 46 -5.204 -0.427 5.152
385 HG21 ILE 46 1HG2 ILE 46 -4.395 -3.323 7.294
386 HG22 ILE 46 2HG2 ILE 46 -4.701 -2.069 8.498
387 HG23 ILE 46 3HG2 ILE 46 -3.046 -2.559 8.133
388 HD11 ILE 46 3HD1 ILE 46 -6.004 -3.187 6.040
389 HD12 ILE 46 1HD1 ILE 46 -5.088 -2.817 4.580
390 HD13 ILE 46 2HD1 ILE 46 -6.742 -2.229 4.754
391 H HIS 47 H HIS 47 -0.976 -0.426 7.498
392 HA HIS 47 HA HIS 47 -1.237 -0.846 10.385
393 HD1 HIS 47 HD1 HIS 47 -1.149 -3.210 11.061
394 HD2 HIS 47 HD2 HIS 47 0.526 -3.753 7.289
395 HE1 HIS 47 HE1 HIS 47 -1.899 -5.485 10.305
396 HE2 HIS 47 HE2 HIS 47 -0.996 -5.726 7.970
397 HB2 HIS 47 2HB HIS 47 1.049 -1.413 8.499
398 HB3 HIS 47 1HB HIS 47 1.135 -1.646 10.241
399 H GLY 48 H GLY 48 -0.803 1.757 8.522
400 HA2 GLY 48 2HA GLY 48 -0.310 3.908 9.235
401 HA3 GLY 48 1HA GLY 48 0.279 3.239 10.746
402 H LEU 49 H LEU 49 1.602 1.795 7.974
403 HA LEU 49 HA LEU 49 4.245 2.674 8.503
404 HG LEU 49 HG LEU 49 5.288 2.422 5.600
405 HB2 LEU 49 2HB LEU 49 3.755 0.547 7.395
406 HB3 LEU 49 1HB LEU 49 3.034 1.398 6.044
407 HD11 LEU 49 1HD1 LEU 49 6.169 0.348 7.601
408 HD12 LEU 49 2HD1 LEU 49 6.257 2.098 7.803
409 HD13 LEU 49 3HD1 LEU 49 7.233 1.303 6.566
410 HD21 LEU 49 3HD2 LEU 49 5.078 -0.581 5.486
411 HD22 LEU 49 1HD2 LEU 49 6.169 0.419 4.526
412 HD23 LEU 49 2HD2 LEU 49 4.424 0.553 4.303
413 H ILE 50 H ILE 50 1.966 3.382 5.901
414 HA ILE 50 HA ILE 50 3.227 6.027 5.601
415 HB ILE 50 HB ILE 50 2.689 6.029 3.233
416 HG12 ILE 50 2HG1 ILE 50 1.797 3.158 3.514
417 HG13 ILE 50 1HG1 ILE 50 0.673 4.513 3.506
418 HG21 ILE 50 1HG2 ILE 50 4.867 5.153 3.844
419 HG22 ILE 50 2HG2 ILE 50 4.244 4.287 2.440
420 HG23 ILE 50 3HG2 ILE 50 4.188 3.536 4.036
421 HD11 ILE 50 3HD1 ILE 50 1.395 5.119 1.273
422 HD12 ILE 50 1HD1 ILE 50 0.837 3.446 1.326
423 HD13 ILE 50 2HD1 ILE 50 2.567 3.798 1.280
424 H THR 51 H THR 51 1.613 7.621 4.612
425 HA THR 51 HA THR 51 -0.928 7.213 5.958
426 HB THR 51 HB THR 51 0.064 9.347 6.366
427 HG1 THR 51 HG1 THR 51 -1.905 10.049 6.336
428 HG21 THR 51 3HG2 THR 51 -0.075 9.925 3.412
429 HG22 THR 51 1HG2 THR 51 1.400 9.499 4.278
430 HG23 THR 51 2HG2 THR 51 0.542 10.986 4.675
431 H GLU 52 H GLU 52 -2.920 7.547 4.954
432 HA GLU 52 HA GLU 52 -3.337 6.033 2.667
433 HB2 GLU 52 2HB GLU 52 -4.911 6.767 4.604
434 HB3 GLU 52 1HB GLU 52 -5.243 8.162 3.590
435 HG2 GLU 52 2HG GLU 52 -6.237 6.852 1.923
436 HG3 GLU 52 1HG GLU 52 -5.574 5.357 2.586
437 H ARG 53 H ARG 53 -3.040 9.500 3.105
438 HA ARG 53 HA ARG 53 -3.710 10.152 0.407
439 HE ARG 53 HE ARG 53 -7.008 11.265 2.475
440 HB2 ARG 53 2HB ARG 53 -2.453 11.760 2.629
441 HB3 ARG 53 1HB ARG 53 -2.871 12.430 1.058
442 HG2 ARG 53 2HG ARG 53 -4.810 11.147 2.975
443 HG3 ARG 53 1HG ARG 53 -4.596 12.885 2.744
444 HD2 ARG 53 2HD ARG 53 -5.565 12.860 0.656
445 HD3 ARG 53 1HD ARG 53 -5.175 11.165 0.378
446 HH11 ARG 53 1HH1 ARG 53 -6.862 12.085 -0.922
447 HH12 ARG 53 2HH1 ARG 53 -8.543 11.734 -1.220
448 HH21 ARG 53 1HH2 ARG 53 -9.210 10.732 2.087
449 HH22 ARG 53 2HH2 ARG 53 -9.881 10.941 0.492
450 H GLU 54 H GLU 54 -0.823 9.170 2.022
451 HA GLU 54 HA GLU 54 1.020 10.201 0.101
452 HB2 GLU 54 2HB GLU 54 1.756 9.455 2.353
453 HB3 GLU 54 1HB GLU 54 1.349 7.799 1.920
454 HG2 GLU 54 2HG GLU 54 2.992 7.977 0.046
455 HG3 GLU 54 1HG GLU 54 3.482 9.535 0.700
456 H ALA 55 H ALA 55 -0.632 7.106 0.572
457 HA ALA 55 HA ALA 55 0.574 5.713 -1.544
458 HB1 ALA 55 3HB ALA 55 -0.726 4.593 0.181
459 HB2 ALA 55 1HB ALA 55 -1.359 4.201 -1.416
460 HB3 ALA 55 2HB ALA 55 -2.199 5.371 -0.397
461 H LEU 56 H LEU 56 -2.345 7.702 -1.450
462 HA LEU 56 HA LEU 56 -3.095 7.264 -4.145
463 HG LEU 56 HG LEU 56 -4.320 7.625 -1.185
464 HB2 LEU 56 2HB LEU 56 -3.760 9.682 -2.470
465 HB3 LEU 56 1HB LEU 56 -4.663 9.043 -3.827
466 HD11 LEU 56 1HD1 LEU 56 -6.638 9.207 -2.280
467 HD12 LEU 56 2HD1 LEU 56 -5.649 9.606 -0.874
468 HD13 LEU 56 3HD1 LEU 56 -6.696 8.186 -0.842
469 HD21 LEU 56 3HD2 LEU 56 -4.650 6.109 -3.055
470 HD22 LEU 56 1HD2 LEU 56 -6.065 7.028 -3.570
471 HD23 LEU 56 2HD2 LEU 56 -6.087 6.161 -2.033
472 H ASP 57 H ASP 57 -0.816 9.408 -2.636
473 HA ASP 57 HA ASP 57 -0.628 11.115 -4.967
474 HB2 ASP 57 2HB ASP 57 -0.318 12.061 -2.726
475 HB3 ASP 57 1HB ASP 57 1.086 11.028 -2.478
476 H ARG 58 H ARG 58 1.584 8.888 -3.278
477 HA ARG 58 HA ARG 58 3.676 9.216 -5.139
478 HE ARG 58 HE ARG 58 4.957 4.843 -3.086
479 HB2 ARG 58 2HB ARG 58 4.741 7.303 -4.031
480 HB3 ARG 58 1HB ARG 58 4.125 8.473 -2.877
481 HG2 ARG 58 2HG ARG 58 2.159 7.030 -2.513
482 HG3 ARG 58 1HG ARG 58 2.872 5.837 -3.599
483 HD2 ARG 58 2HD ARG 58 4.275 6.870 -1.141
484 HD3 ARG 58 1HD ARG 58 3.235 5.448 -1.122
485 HH11 ARG 58 1HH1 ARG 58 5.499 6.059 0.170
486 HH12 ARG 58 2HH1 ARG 58 7.002 5.207 0.353
487 HH21 ARG 58 1HH2 ARG 58 6.922 3.710 -2.817
488 HH22 ARG 58 2HH2 ARG 58 7.813 3.872 -1.339
489 H TYR 59 H TYR 59 0.883 7.152 -5.197
490 HA TYR 59 HA TYR 59 2.042 5.775 -7.535
491 HD1 TYR 59 HD2 TYR 59 3.197 3.898 -6.997
492 HD2 TYR 59 HD1 TYR 59 0.481 3.909 -3.725
493 HE1 TYR 59 HE2 TYR 59 4.905 2.841 -5.585
494 HE2 TYR 59 HE1 TYR 59 2.189 2.856 -2.301
495 HH TYR 59 HH TYR 59 4.270 1.410 -2.676
496 HB2 TYR 59 2HB TYR 59 -0.188 4.832 -5.723
497 HB3 TYR 59 1HB TYR 59 0.425 3.965 -7.126
498 H SER 60 H SER 60 0.215 8.302 -6.904
499 HA SER 60 HA SER 60 -1.585 9.369 -7.757
500 HG SER 60 HG SER 60 -0.423 7.027 -9.987
501 HB2 SER 60 2HB SER 60 -1.765 9.245 -10.286
502 HB3 SER 60 1HB SER 60 -0.202 9.738 -9.644
503 H LEU 61 H LEU 61 -2.731 7.746 -6.388
504 HA LEU 61 HA LEU 61 -4.510 6.036 -7.989
505 HG LEU 61 HG LEU 61 -2.015 5.032 -6.421
506 HB2 LEU 61 2HB LEU 61 -3.875 5.918 -5.037
507 HB3 LEU 61 1HB LEU 61 -4.974 4.849 -5.881
508 HD11 LEU 61 1HD1 LEU 61 -2.449 4.150 -4.196
509 HD12 LEU 61 2HD1 LEU 61 -1.878 2.876 -5.272
510 HD13 LEU 61 3HD1 LEU 61 -3.590 2.985 -4.868
511 HD21 LEU 61 3HD2 LEU 61 -4.118 3.101 -7.391
512 HD22 LEU 61 1HD2 LEU 61 -2.385 2.954 -7.681
513 HD23 LEU 61 2HD2 LEU 61 -3.282 4.313 -8.361
514 H SER 62 H SER 62 -6.719 6.175 -7.662
515 HA SER 62 HA SER 62 -7.630 8.698 -6.561
516 HG SER 62 HG SER 62 -7.825 8.856 -8.917
517 HB2 SER 62 2HB SER 62 -9.176 6.530 -8.012
518 HB3 SER 62 1HB SER 62 -9.747 8.161 -7.655
519 H GLU 63 H GLU 63 -9.436 8.782 -5.128
520 HA GLU 63 HA GLU 63 -9.082 7.306 -2.808
521 HB2 GLU 63 2HB GLU 63 -10.154 9.573 -3.130
522 HB3 GLU 63 1HB GLU 63 -11.603 8.726 -3.650
523 HG2 GLU 63 2HG GLU 63 -11.798 7.666 -1.512
524 HG3 GLU 63 1HG GLU 63 -10.278 8.392 -0.988
525 H GLU 64 H GLU 64 -11.409 6.943 -5.440
526 HA GLU 64 HA GLU 64 -12.868 4.819 -4.241
527 HB2 GLU 64 2HB GLU 64 -13.674 4.420 -6.628
528 HB3 GLU 64 1HB GLU 64 -14.024 5.989 -5.924
529 HG2 GLU 64 2HG GLU 64 -11.580 5.652 -7.593
530 HG3 GLU 64 1HG GLU 64 -13.155 5.781 -8.372
531 H GLU 65 H GLU 65 -10.010 4.966 -6.239
532 HA GLU 65 HA GLU 65 -9.829 2.245 -6.959
533 HB2 GLU 65 2HB GLU 65 -8.480 4.030 -7.999
534 HB3 GLU 65 1HB GLU 65 -7.633 4.281 -6.483
535 HG2 GLU 65 2HG GLU 65 -6.190 3.048 -7.867
536 HG3 GLU 65 1HG GLU 65 -6.810 1.918 -6.669
537 H PHE 66 H PHE 66 -8.223 4.052 -4.335
538 HA PHE 66 HA PHE 66 -7.069 1.807 -3.092
539 HD1 PHE 66 HD2 PHE 66 -4.540 2.871 -2.026
540 HD2 PHE 66 HD1 PHE 66 -7.923 3.441 0.488
541 HE1 PHE 66 HE2 PHE 66 -3.233 2.081 -0.099
542 HE2 PHE 66 HE1 PHE 66 -6.622 2.657 2.421
543 HZ PHE 66 HZ PHE 66 -4.276 1.975 2.127
544 HB2 PHE 66 2HB PHE 66 -6.432 4.222 -2.737
545 HB3 PHE 66 1HB PHE 66 -7.861 4.383 -1.722
546 H ALA 67 H ALA 67 -10.218 3.329 -2.731
547 HA ALA 67 HA ALA 67 -11.101 2.014 -0.424
548 HB1 ALA 67 3HB ALA 67 -12.315 3.876 -1.451
549 HB2 ALA 67 1HB ALA 67 -13.361 2.476 -1.213
550 HB3 ALA 67 2HB ALA 67 -12.735 2.846 -2.819
551 H LEU 68 H LEU 68 -11.150 1.026 -3.820
552 HA LEU 68 HA LEU 68 -12.536 -1.407 -3.434
553 HG LEU 68 HG LEU 68 -12.464 0.837 -5.605
554 HB2 LEU 68 2HB LEU 68 -10.517 -0.678 -5.557
555 HB3 LEU 68 1HB LEU 68 -11.605 -2.052 -5.617
556 HD11 LEU 68 1HD1 LEU 68 -12.392 -1.187 -7.836
557 HD12 LEU 68 2HD1 LEU 68 -11.339 0.219 -7.674
558 HD13 LEU 68 3HD1 LEU 68 -13.070 0.437 -7.937
559 HD21 LEU 68 3HD2 LEU 68 -14.681 -0.035 -6.093
560 HD22 LEU 68 1HD2 LEU 68 -14.090 -0.670 -4.558
561 HD23 LEU 68 2HD2 LEU 68 -14.067 -1.686 -6.000
562 H TRP 69 H TRP 69 -9.075 -0.613 -3.571
563 HA TRP 69 HA TRP 69 -8.008 -3.170 -3.420
564 HD1 TRP 69 HD1 TRP 69 -8.204 -1.177 -5.261
565 HE1 TRP 69 HE1 TRP 69 -6.755 -0.298 -7.196
566 HE3 TRP 69 HE3 TRP 69 -3.730 -0.873 -2.815
567 HZ2 TRP 69 HZ2 TRP 69 -4.046 0.389 -7.624
568 HZ3 TRP 69 HZ3 TRP 69 -1.756 -0.101 -4.062
569 HH2 TRP 69 HH2 TRP 69 -1.913 0.511 -6.415
570 HB2 TRP 69 2HB TRP 69 -6.934 -0.639 -2.153
571 HB3 TRP 69 1HB TRP 69 -6.015 -2.125 -2.342
572 H ARG 70 H ARG 70 -8.938 -1.051 -0.724
573 HA ARG 70 HA ARG 70 -8.101 -2.937 1.248
574 HE ARG 70 HE ARG 70 -9.467 0.342 4.037
575 HB2 ARG 70 2HB ARG 70 -8.971 -1.429 2.874
576 HB3 ARG 70 1HB ARG 70 -8.231 -0.459 1.611
577 HG2 ARG 70 2HG ARG 70 -10.619 -0.302 0.653
578 HG3 ARG 70 1HG ARG 70 -11.121 -0.815 2.266
579 HD2 ARG 70 2HD ARG 70 -9.604 1.645 1.470
580 HD3 ARG 70 1HD ARG 70 -11.153 1.537 2.304
581 HH11 ARG 70 1HH1 ARG 70 -9.385 3.384 2.334
582 HH12 ARG 70 2HH1 ARG 70 -8.402 4.192 3.527
583 HH21 ARG 70 1HH2 ARG 70 -8.178 1.407 5.652
584 HH22 ARG 70 2HH2 ARG 70 -7.722 3.066 5.392
585 H SER 71 H SER 71 -11.109 -2.324 -0.433
586 HA SER 71 HA SER 71 -12.693 -3.936 1.334
587 HG SER 71 HG SER 71 -13.177 -1.165 -0.368
588 HB2 SER 71 2HB SER 71 -13.303 -3.000 -1.482
589 HB3 SER 71 1HB SER 71 -14.469 -3.651 -0.326
590 H ALA 72 H ALA 72 -10.575 -4.554 -1.290
591 HA ALA 72 HA ALA 72 -11.669 -7.220 -1.733
592 HB1 ALA 72 3HB ALA 72 -9.319 -5.833 -3.018
593 HB2 ALA 72 1HB ALA 72 -10.954 -5.928 -3.673
594 HB3 ALA 72 2HB ALA 72 -9.988 -7.393 -3.501
595 H VAL 73 H VAL 73 -8.740 -5.679 -0.452
596 HA VAL 73 HA VAL 73 -7.539 -8.269 0.102
597 HB VAL 73 HB VAL 73 -6.466 -5.493 0.628
598 HG11 VAL 73 1HG1 VAL 73 -5.459 -7.127 2.110
599 HG12 VAL 73 2HG1 VAL 73 -4.294 -6.620 0.886
600 HG13 VAL 73 3HG1 VAL 73 -5.102 -8.180 0.743
601 HG21 VAL 73 3HG2 VAL 73 -5.886 -7.433 -1.606
602 HG22 VAL 73 1HG2 VAL 73 -5.037 -5.913 -1.326
603 HG23 VAL 73 2HG2 VAL 73 -6.751 -5.904 -1.746
604 H ALA 74 H ALA 74 -8.481 -5.392 2.008
605 HA ALA 74 HA ALA 74 -7.763 -6.683 4.470
606 HB1 ALA 74 3HB ALA 74 -9.302 -4.128 4.057
607 HB2 ALA 74 1HB ALA 74 -7.547 -4.255 4.172
608 HB3 ALA 74 2HB ALA 74 -8.555 -4.674 5.559
609 H ALA 75 H ALA 75 -10.677 -6.259 2.618
610 HA ALA 75 HA ALA 75 -12.331 -7.334 4.760
611 HB1 ALA 75 3HB ALA 75 -13.093 -6.530 1.951
612 HB2 ALA 75 1HB ALA 75 -13.228 -5.514 3.385
613 HB3 ALA 75 2HB ALA 75 -14.208 -6.973 3.246
614 H HIS 76 H HIS 76 -10.185 -8.697 2.842
615 HA HIS 76 HA HIS 76 -11.672 -10.910 1.777
616 HD1 HIS 76 HD1 HIS 76 -9.106 -11.505 -1.051
617 HD2 HIS 76 HD2 HIS 76 -9.720 -13.767 2.388
618 HE1 HIS 76 HE1 HIS 76 -9.060 -13.906 -1.793
619 HE2 HIS 76 HE2 HIS 76 -9.602 -15.246 0.268
620 HB2 HIS 76 2HB HIS 76 -9.404 -10.084 0.935
621 HB3 HIS 76 1HB HIS 76 -8.705 -10.838 2.359
622 H GLY 77 H GLY 77 -12.575 -12.407 3.027
623 HA2 GLY 77 2HA GLY 77 -12.265 -14.174 4.669
624 HA3 GLY 77 1HA GLY 77 -11.253 -13.064 5.587
625 H GLU 78 H GLU 78 -14.058 -11.731 4.141
626 HA GLU 78 HA GLU 78 -15.199 -11.006 6.635
627 HB2 GLU 78 2HB GLU 78 -17.036 -10.081 5.289
628 HB3 GLU 78 1HB GLU 78 -15.464 -9.606 4.659
629 HG2 GLU 78 2HG GLU 78 -15.641 -11.334 2.934
630 HG3 GLU 78 1HG GLU 78 -17.224 -11.791 3.562
631 H LYS 79 H LYS 79 -15.201 -13.885 5.045
632 HA LYS 79 HA LYS 79 -17.874 -14.717 5.834
633 HB2 LYS 79 2HB LYS 79 -15.649 -16.254 4.474
634 HB3 LYS 79 1HB LYS 79 -17.301 -16.817 4.698
635 HG2 LYS 79 2HG LYS 79 -18.161 -15.268 3.180
636 HG3 LYS 79 1HG LYS 79 -16.697 -14.286 3.220
637 HD2 LYS 79 2HD LYS 79 -15.472 -16.148 2.138
638 HD3 LYS 79 1HD LYS 79 -16.995 -17.032 2.006
639 HE2 LYS 79 2HE LYS 79 -17.919 -15.359 0.574
640 HE3 LYS 79 1HE LYS 79 -16.552 -14.285 0.856
641 HZ1 LYS 79 3HZ LYS 79 -16.412 -15.389 -1.286
642 HZ2 LYS 79 1HZ LYS 79 -16.419 -16.908 -0.531
643 HZ3 LYS 79 2HZ LYS 79 -15.121 -15.842 -0.283
644 H ALA 80 H ALA 80 -14.958 -14.364 7.302
645 HA ALA 80 HA ALA 80 -15.747 -16.051 9.508
646 HB1 ALA 80 3HB ALA 80 -14.454 -17.622 8.128
647 HB2 ALA 80 1HB ALA 80 -13.656 -17.278 9.662
648 HB3 ALA 80 2HB ALA 80 -13.077 -16.519 8.181
649 H LEU 81 H LEU 81 -15.909 -14.174 10.685
650 HA LEU 81 HA LEU 81 -13.853 -12.190 10.641
651 HG LEU 81 HG LEU 81 -15.291 -10.207 10.567
652 HB2 LEU 81 2HB LEU 81 -16.399 -12.532 12.155
653 HB3 LEU 81 1HB LEU 81 -15.214 -11.390 12.753
654 HD11 LEU 81 1HD1 LEU 81 -17.560 -12.104 9.978
655 HD12 LEU 81 2HD1 LEU 81 -16.005 -12.046 9.148
656 HD13 LEU 81 3HD1 LEU 81 -17.125 -10.690 9.019
657 HD21 LEU 81 3HD2 LEU 81 -16.624 -9.430 12.442
658 HD22 LEU 81 1HD2 LEU 81 -17.935 -10.518 11.982
659 HD23 LEU 81 2HD2 LEU 81 -17.484 -9.182 10.923
660 H LYS 82 H LYS 82 -12.052 -13.525 11.177
661 HA LYS 82 HA LYS 82 -11.620 -14.320 13.891
662 HB2 LYS 82 2HB LYS 82 -10.255 -15.204 12.036
663 HB3 LYS 82 1HB LYS 82 -9.663 -13.586 11.690
664 HG2 LYS 82 2HG LYS 82 -8.573 -13.530 13.884
665 HG3 LYS 82 1HG LYS 82 -9.145 -15.172 14.196
666 HD2 LYS 82 2HD LYS 82 -7.887 -15.981 12.262
667 HD3 LYS 82 1HD LYS 82 -7.326 -14.337 11.938
668 HE2 LYS 82 2HE LYS 82 -6.199 -14.298 14.110
669 HE3 LYS 82 1HE LYS 82 -6.764 -15.937 14.435
670 HZ1 LYS 82 3HZ LYS 82 -5.516 -16.682 12.474
671 HZ2 LYS 82 1HZ LYS 82 -4.508 -15.981 13.641
672 HZ3 LYS 82 2HZ LYS 82 -4.922 -15.107 12.255
673 H VAL 83 H VAL 83 -10.226 -13.111 15.436
674 HA VAL 83 HA VAL 83 -11.003 -10.489 15.837
675 HB VAL 83 HB VAL 83 -9.950 -11.841 17.591
676 HG11 VAL 83 1HG1 VAL 83 -7.371 -11.361 16.106
677 HG12 VAL 83 2HG1 VAL 83 -8.204 -12.907 16.269
678 HG13 VAL 83 3HG1 VAL 83 -7.523 -12.118 17.692
679 HG21 VAL 83 3HG2 VAL 83 -8.562 -10.081 18.601
680 HG22 VAL 83 1HG2 VAL 83 -10.044 -9.439 17.897
681 HG23 VAL 83 2HG2 VAL 83 -8.512 -9.248 17.048
682 H THR 84 H THR 84 -8.325 -11.711 13.965
683 HA THR 84 HA THR 84 -6.976 -9.290 13.479
684 HB THR 84 HB THR 84 -7.086 -11.654 11.622
685 HG1 THR 84 HG1 THR 84 -5.495 -11.355 13.987
686 HG21 THR 84 3HG2 THR 84 -4.875 -9.718 12.329
687 HG22 THR 84 1HG2 THR 84 -5.806 -9.721 10.832
688 HG23 THR 84 2HG2 THR 84 -4.732 -11.070 11.208
689 H MET 85 H MET 85 -9.883 -10.616 12.186
690 HA MET 85 HA MET 85 -9.845 -9.081 9.750
691 HB2 MET 85 2HB MET 85 -11.776 -10.923 11.079
692 HB3 MET 85 1HB MET 85 -12.417 -9.769 9.921
693 HG2 MET 85 2HG MET 85 -11.935 -11.966 8.937
694 HG3 MET 85 1HG MET 85 -11.024 -10.662 8.180
695 HE1 MET 85 3HE MET 85 -8.620 -13.760 7.966
696 HE2 MET 85 1HE MET 85 -9.485 -12.524 7.052
697 HE3 MET 85 2HE MET 85 -10.382 -13.800 7.876
698 H ILE 86 H ILE 86 -11.277 -8.815 12.957
699 HA ILE 86 HA ILE 86 -12.976 -6.632 12.342
700 HB ILE 86 HB ILE 86 -11.873 -7.549 15.000
701 HG12 ILE 86 2HG1 ILE 86 -14.417 -8.100 15.238
702 HG13 ILE 86 1HG1 ILE 86 -14.418 -8.003 13.481
703 HG21 ILE 86 1HG2 ILE 86 -13.536 -6.088 16.045
704 HG22 ILE 86 2HG2 ILE 86 -13.973 -5.457 14.456
705 HG23 ILE 86 3HG2 ILE 86 -12.360 -5.165 15.105
706 HD11 ILE 86 3HD1 ILE 86 -14.187 -10.291 14.259
707 HD12 ILE 86 1HD1 ILE 86 -12.715 -9.852 15.128
708 HD13 ILE 86 2HD1 ILE 86 -12.756 -9.768 13.367
709 H GLN 87 H GLN 87 -9.705 -6.856 13.662
710 HA GLN 87 HA GLN 87 -9.199 -4.150 14.046
711 HB2 GLN 87 2HB GLN 87 -7.629 -5.945 14.698
712 HB3 GLN 87 1HB GLN 87 -7.282 -6.254 13.002
713 HG2 GLN 87 2HG GLN 87 -5.508 -4.955 13.964
714 HG3 GLN 87 1HG GLN 87 -6.386 -3.971 12.793
715 HE21 GLN 87 1HE2 GLN 87 -5.600 -4.444 16.130
716 HE22 GLN 87 2HE2 GLN 87 -6.258 -2.950 16.708
717 H LYS 88 H LYS 88 -8.767 -6.128 11.124
718 HA LYS 88 HA LYS 88 -7.819 -4.100 9.454
719 HB2 LYS 88 2HB LYS 88 -9.333 -6.626 8.791
720 HB3 LYS 88 1HB LYS 88 -8.668 -5.552 7.568
721 HG2 LYS 88 2HG LYS 88 -6.419 -5.900 8.673
722 HG3 LYS 88 1HG LYS 88 -7.183 -7.195 9.599
723 HD2 LYS 88 2HD LYS 88 -7.137 -7.048 6.584
724 HD3 LYS 88 1HD LYS 88 -5.996 -7.980 7.551
725 HE2 LYS 88 2HE LYS 88 -8.974 -8.372 7.714
726 HE3 LYS 88 1HE LYS 88 -7.961 -9.250 6.572
727 HZ1 LYS 88 3HZ LYS 88 -6.737 -10.213 8.381
728 HZ2 LYS 88 1HZ LYS 88 -8.389 -10.476 8.651
729 HZ3 LYS 88 2HZ LYS 88 -7.575 -9.271 9.518
730 H TYR 89 H TYR 89 -11.115 -5.011 10.299
731 HA TYR 89 HA TYR 89 -12.353 -3.428 8.278
732 HD1 TYR 89 HD2 TYR 89 -12.729 -5.148 7.340
733 HD2 TYR 89 HD1 TYR 89 -14.594 -6.588 10.881
734 HE1 TYR 89 HE2 TYR 89 -12.880 -7.387 6.344
735 HE2 TYR 89 HE1 TYR 89 -14.739 -8.834 9.892
736 HH TYR 89 HH TYR 89 -14.768 -9.861 7.653
737 HB2 TYR 89 2HB TYR 89 -13.505 -4.461 10.877
738 HB3 TYR 89 1HB TYR 89 -14.437 -3.786 9.549
739 H ARG 90 H ARG 90 -11.208 -2.775 11.511
740 HA ARG 90 HA ARG 90 -12.566 -0.250 11.731
741 HE ARG 90 HE ARG 90 -14.459 -2.063 15.511
742 HB2 ARG 90 2HB ARG 90 -10.297 -1.454 13.321
743 HB3 ARG 90 1HB ARG 90 -11.046 0.091 13.699
744 HG2 ARG 90 2HG ARG 90 -12.411 -2.592 13.673
745 HG3 ARG 90 1HG ARG 90 -11.951 -1.658 15.100
746 HD2 ARG 90 2HD ARG 90 -13.492 0.096 14.506
747 HD3 ARG 90 1HD ARG 90 -13.865 -0.693 12.974
748 HH11 ARG 90 1HH1 ARG 90 -15.570 -0.509 12.567
749 HH12 ARG 90 2HH1 ARG 90 -17.179 -1.166 12.668
750 HH21 ARG 90 1HH2 ARG 90 -16.578 -2.902 15.671
751 HH22 ARG 90 2HH2 ARG 90 -17.748 -2.530 14.436
752 H GLN 91 H GLN 91 -9.577 -1.394 10.446
753 HA GLN 91 HA GLN 91 -8.653 1.360 9.995
754 HB2 GLN 91 2HB GLN 91 -6.536 0.157 9.175
755 HB3 GLN 91 1HB GLN 91 -6.886 0.107 10.895
756 HG2 GLN 91 2HG GLN 91 -7.990 -2.141 10.425
757 HG3 GLN 91 1HG GLN 91 -7.184 -2.074 8.867
758 HE21 GLN 91 1HE2 GLN 91 -5.696 -0.783 11.760
759 HE22 GLN 91 2HE2 GLN 91 -4.486 -2.002 11.902
760 H LEU 92 H LEU 92 -10.794 -0.368 8.683
761 HA LEU 92 HA LEU 92 -9.989 0.085 5.887
762 HG LEU 92 HG LEU 92 -10.675 -1.715 4.259
763 HB2 LEU 92 2HB LEU 92 -10.581 -2.281 6.706
764 HB3 LEU 92 1HB LEU 92 -12.223 -1.700 6.851
765 HD11 LEU 92 1HD1 LEU 92 -10.985 -3.988 5.131
766 HD12 LEU 92 2HD1 LEU 92 -11.958 -3.699 3.690
767 HD13 LEU 92 3HD1 LEU 92 -12.716 -3.686 5.281
768 HD21 LEU 92 3HD2 LEU 92 -13.608 -1.387 4.869
769 HD22 LEU 92 1HD2 LEU 92 -12.893 -1.457 3.258
770 HD23 LEU 92 2HD2 LEU 92 -12.510 -0.114 4.335
771 H HIS 93 H HIS 93 -10.886 1.873 5.092
772 HA HIS 93 HA HIS 93 -13.355 2.889 6.275
773 HD1 HIS 93 HD1 HIS 93 -13.052 5.500 7.471
774 HD2 HIS 93 HD2 HIS 93 -9.283 4.398 6.110
775 HE1 HIS 93 HE1 HIS 93 -11.443 6.209 9.276
776 HE2 HIS 93 HE2 HIS 93 -9.190 5.368 8.505
777 HB2 HIS 93 2HB HIS 93 -11.376 4.150 4.362
778 HB3 HIS 93 1HB HIS 93 -12.873 4.924 4.873
779 H HIS 94 H HIS 94 -15.193 2.265 5.413
780 HA HIS 94 HA HIS 94 -15.397 1.999 2.497
781 HD1 HIS 94 HD1 HIS 94 -18.655 -0.121 4.356
782 HD2 HIS 94 HD2 HIS 94 -14.943 -0.914 6.079
783 HE1 HIS 94 HE1 HIS 94 -19.148 -1.095 6.625
784 HE2 HIS 94 HE2 HIS 94 -16.898 -1.710 7.582
785 HB2 HIS 94 2HB HIS 94 -16.608 -0.115 2.681
786 HB3 HIS 94 1HB HIS 94 -15.003 -0.276 3.384
787 H HIS 95 H HIS 95 -17.797 1.616 1.912
788 HA HIS 95 HA HIS 95 -19.531 3.010 3.831
789 HD1 HIS 95 HD1 HIS 95 -21.621 3.121 -0.282
790 HD2 HIS 95 HD2 HIS 95 -17.467 3.127 -0.013
791 HE1 HIS 95 HE1 HIS 95 -20.789 2.535 -2.582
792 HE2 HIS 95 HE2 HIS 95 -18.285 2.719 -2.440
793 HB2 HIS 95 2HB HIS 95 -20.830 3.930 1.923
794 HB3 HIS 95 1HB HIS 95 -19.180 4.527 1.975
Start of MODEL 12
1 HA MET 1 HA MET 1 13.583 10.161 21.018
2 H1 MET 1 1H MET 1 15.434 11.075 18.899
3 H2 MET 1 2H MET 1 14.445 9.700 18.869
4 H3 MET 1 3H MET 1 15.738 9.792 19.961
5 HB2 MET 1 2HB MET 1 14.219 12.126 22.285
6 HB3 MET 1 1HB MET 1 15.641 11.148 21.959
7 HG2 MET 1 2HG MET 1 16.338 12.651 20.216
8 HG3 MET 1 1HG MET 1 14.857 13.592 20.392
9 HE1 MET 1 3HE MET 1 16.314 15.814 20.601
10 HE2 MET 1 1HE MET 1 17.787 14.861 20.427
11 HE3 MET 1 2HE MET 1 17.633 16.011 21.755
12 H TYR 2 H TYR 2 14.259 12.273 18.290
13 HA TYR 2 HA TYR 2 11.553 13.379 18.544
14 HD1 TYR 2 HD2 TYR 2 10.552 15.697 19.148
15 HD2 TYR 2 HD1 TYR 2 13.796 16.642 16.563
16 HE1 TYR 2 HE2 TYR 2 9.260 17.574 18.221
17 HE2 TYR 2 HE1 TYR 2 12.519 18.523 15.634
18 HH TYR 2 HH TYR 2 9.722 19.737 17.094
19 HB2 TYR 2 2HB TYR 2 13.047 14.997 19.579
20 HB3 TYR 2 1HB TYR 2 14.081 14.991 18.156
21 H LEU 3 H LEU 3 10.588 12.709 16.758
22 HA LEU 3 HA LEU 3 12.022 12.717 14.223
23 HG LEU 3 HG LEU 3 10.886 10.248 15.753
24 HB2 LEU 3 2HB LEU 3 9.222 11.841 14.931
25 HB3 LEU 3 1HB LEU 3 9.910 11.745 13.323
26 HD11 LEU 3 1HD1 LEU 3 8.769 9.410 14.859
27 HD12 LEU 3 2HD1 LEU 3 10.089 8.273 14.578
28 HD13 LEU 3 3HD1 LEU 3 9.498 9.283 13.257
29 HD21 LEU 3 3HD2 LEU 3 11.851 10.184 12.897
30 HD22 LEU 3 1HD2 LEU 3 12.387 9.109 14.188
31 HD23 LEU 3 2HD2 LEU 3 12.732 10.835 14.279
32 H LYS 4 H LYS 4 12.240 14.681 13.406
33 HA LYS 4 HA LYS 4 10.266 16.742 13.681
34 HB2 LYS 4 2HB LYS 4 12.709 17.197 13.533
35 HB3 LYS 4 1HB LYS 4 12.694 16.614 11.876
36 HG2 LYS 4 2HG LYS 4 11.196 18.433 11.240
37 HG3 LYS 4 1HG LYS 4 11.188 19.008 12.908
38 HD2 LYS 4 2HD LYS 4 13.540 19.491 12.815
39 HD3 LYS 4 1HD LYS 4 13.673 18.748 11.218
40 HE2 LYS 4 2HE LYS 4 12.220 20.467 10.288
41 HE3 LYS 4 1HE LYS 4 12.043 21.197 11.884
42 HZ1 LYS 4 3HZ LYS 4 14.649 20.886 10.495
43 HZ2 LYS 4 1HZ LYS 4 14.337 21.769 11.908
44 HZ3 LYS 4 2HZ LYS 4 13.707 22.295 10.426
45 H ARG 5 H ARG 5 11.192 14.374 11.294
46 HA ARG 5 HA ARG 5 8.661 14.909 9.907
47 HE ARG 5 HE ARG 5 8.937 14.875 4.400
48 HB2 ARG 5 2HB ARG 5 10.534 15.803 8.521
49 HB3 ARG 5 1HB ARG 5 11.238 14.192 8.491
50 HG2 ARG 5 2HG ARG 5 9.151 13.372 7.406
51 HG3 ARG 5 1HG ARG 5 8.600 15.045 7.319
52 HD2 ARG 5 2HD ARG 5 10.497 15.631 5.927
53 HD3 ARG 5 1HD ARG 5 11.140 13.995 6.075
54 HH11 ARG 5 1HH1 ARG 5 10.616 12.169 5.845
55 HH12 ARG 5 2HH1 ARG 5 10.024 11.002 4.699
56 HH21 ARG 5 1HH2 ARG 5 8.177 13.356 2.850
57 HH22 ARG 5 2HH2 ARG 5 8.653 11.686 2.990
58 H VAL 6 H VAL 6 7.559 13.211 10.664
59 HA VAL 6 HA VAL 6 8.769 10.692 11.203
60 HB VAL 6 HB VAL 6 5.822 11.323 10.948
61 HG11 VAL 6 1HG1 VAL 6 7.236 9.027 12.310
62 HG12 VAL 6 2HG1 VAL 6 6.276 8.932 10.834
63 HG13 VAL 6 3HG1 VAL 6 5.501 9.343 12.363
64 HG21 VAL 6 3HG2 VAL 6 5.875 11.517 13.409
65 HG22 VAL 6 1HG2 VAL 6 6.841 12.756 12.608
66 HG23 VAL 6 2HG2 VAL 6 7.631 11.373 13.362
67 H ASP 7 H ASP 7 9.727 9.913 9.371
68 HA ASP 7 HA ASP 7 8.156 9.489 6.964
69 HB2 ASP 7 2HB ASP 7 10.632 10.113 6.975
70 HB3 ASP 7 1HB ASP 7 10.952 8.474 7.530
71 H GLY 8 H GLY 8 6.789 8.273 8.751
72 HA2 GLY 8 2HA GLY 8 5.813 6.276 9.300
73 HA3 GLY 8 1HA GLY 8 6.806 5.534 8.057
74 HA PRO 9 HA PRO 9 8.508 4.153 12.167
75 HB2 PRO 9 2HB PRO 9 7.304 1.575 11.936
76 HB3 PRO 9 1HB PRO 9 6.942 2.830 13.122
77 HG2 PRO 9 2HG PRO 9 5.208 1.954 11.138
78 HG3 PRO 9 1HG PRO 9 5.075 3.492 12.006
79 HD2 PRO 9 2HD PRO 9 6.185 2.936 9.293
80 HD3 PRO 9 1HD PRO 9 5.256 4.335 9.870
81 H ARG 10 H ARG 10 9.059 3.929 9.149
82 HA ARG 10 HA ARG 10 10.631 3.047 7.783
83 HE ARG 10 HE ARG 10 12.834 3.170 6.852
84 HB2 ARG 10 2HB ARG 10 11.545 1.555 10.247
85 HB3 ARG 10 1HB ARG 10 12.402 1.576 8.713
86 HG2 ARG 10 2HG ARG 10 11.748 4.176 9.984
87 HG3 ARG 10 1HG ARG 10 13.032 3.199 10.692
88 HD2 ARG 10 2HD ARG 10 13.791 4.892 9.006
89 HD3 ARG 10 1HD ARG 10 14.288 3.236 8.675
90 HH11 ARG 10 1HH1 ARG 10 12.754 6.294 8.452
91 HH12 ARG 10 2HH1 ARG 10 11.906 7.064 7.149
92 HH21 ARG 10 1HH2 ARG 10 11.775 4.222 5.132
93 HH22 ARG 10 2HH2 ARG 10 11.361 5.910 5.270
94 H GLN 11 H GLN 11 9.418 0.477 9.946
95 HA GLN 11 HA GLN 11 8.340 -0.907 7.629
96 HB2 GLN 11 2HB GLN 11 9.371 -3.065 8.298
97 HB3 GLN 11 1HB GLN 11 10.540 -1.881 7.736
98 HG2 GLN 11 2HG GLN 11 11.180 -1.387 10.015
99 HG3 GLN 11 1HG GLN 11 9.957 -2.500 10.622
100 HE21 GLN 11 1HE2 GLN 11 11.483 -3.734 11.685
101 HE22 GLN 11 2HE2 GLN 11 12.569 -4.788 10.849
102 H VAL 12 H VAL 12 6.735 -2.434 8.137
103 HA VAL 12 HA VAL 12 5.846 -2.480 10.939
104 HB VAL 12 HB VAL 12 3.487 -2.417 10.128
105 HG11 VAL 12 1HG1 VAL 12 4.539 -0.418 11.039
106 HG12 VAL 12 2HG1 VAL 12 3.408 -0.004 9.750
107 HG13 VAL 12 3HG1 VAL 12 5.142 0.003 9.435
108 HG21 VAL 12 3HG2 VAL 12 3.010 -1.588 7.882
109 HG22 VAL 12 1HG2 VAL 12 3.877 -3.124 7.827
110 HG23 VAL 12 2HG2 VAL 12 4.732 -1.617 7.504
111 H THR 13 H THR 13 4.234 -4.267 11.326
112 HA THR 13 HA THR 13 5.146 -6.655 9.871
113 HB THR 13 HB THR 13 3.663 -6.585 12.506
114 HG1 THR 13 HG1 THR 13 6.128 -5.743 12.023
115 HG21 THR 13 3HG2 THR 13 5.397 -8.711 11.230
116 HG22 THR 13 1HG2 THR 13 3.635 -8.738 11.309
117 HG23 THR 13 2HG2 THR 13 4.586 -8.832 12.790
118 H LEU 14 H LEU 14 3.730 -8.057 8.906
119 HA LEU 14 HA LEU 14 0.970 -7.126 8.582
120 HG LEU 14 HG LEU 14 2.072 -7.901 5.097
121 HB2 LEU 14 2HB LEU 14 2.549 -9.268 7.145
122 HB3 LEU 14 1HB LEU 14 0.860 -8.931 6.836
123 HD11 LEU 14 1HD1 LEU 14 1.409 -5.775 7.117
124 HD12 LEU 14 2HD1 LEU 14 0.284 -6.523 5.983
125 HD13 LEU 14 3HD1 LEU 14 1.612 -5.529 5.385
126 HD21 LEU 14 3HD2 LEU 14 4.277 -7.943 6.189
127 HD22 LEU 14 1HD2 LEU 14 3.801 -6.548 7.153
128 HD23 LEU 14 2HD2 LEU 14 3.930 -6.407 5.401
129 HA PRO 15 HA PRO 15 -0.610 -10.486 11.125
130 HB2 PRO 15 2HB PRO 15 -3.039 -10.833 9.932
131 HB3 PRO 15 1HB PRO 15 -2.698 -9.511 11.054
132 HG2 PRO 15 2HG PRO 15 -2.773 -9.493 8.069
133 HG3 PRO 15 1HG PRO 15 -3.368 -8.276 9.213
134 HD2 PRO 15 2HD PRO 15 -1.017 -8.027 7.874
135 HD3 PRO 15 1HD PRO 15 -1.287 -7.336 9.484
136 H ASP 16 H ASP 16 -0.112 -10.476 7.778
137 HA ASP 16 HA ASP 16 -0.564 -13.248 7.239
138 HB2 ASP 16 2HB ASP 16 1.190 -11.325 5.691
139 HB3 ASP 16 1HB ASP 16 0.420 -12.789 5.090
140 H GLY 17 H GLY 17 1.698 -11.594 9.030
141 HA2 GLY 17 2HA GLY 17 3.524 -12.467 10.178
142 HA3 GLY 17 1HA GLY 17 3.467 -13.886 9.145
143 H THR 18 H THR 18 3.370 -10.951 7.480
144 HA THR 18 HA THR 18 6.081 -11.410 6.500
145 HB THR 18 HB THR 18 4.089 -9.504 5.291
146 HG1 THR 18 HG1 THR 18 3.275 -11.299 4.083
147 HG21 THR 18 3HG2 THR 18 6.242 -11.257 4.094
148 HG22 THR 18 1HG2 THR 18 6.366 -9.523 4.382
149 HG23 THR 18 2HG2 THR 18 5.208 -10.141 3.205
150 H VAL 19 H VAL 19 7.353 -9.409 5.910
151 HA VAL 19 HA VAL 19 6.905 -7.218 7.834
152 HB VAL 19 HB VAL 19 9.515 -8.097 6.568
153 HG11 VAL 19 1HG1 VAL 19 10.545 -6.415 8.069
154 HG12 VAL 19 2HG1 VAL 19 8.928 -5.868 8.523
155 HG13 VAL 19 3HG1 VAL 19 9.483 -5.691 6.857
156 HG21 VAL 19 3HG2 VAL 19 8.749 -9.627 8.312
157 HG22 VAL 19 1HG2 VAL 19 8.565 -8.276 9.430
158 HG23 VAL 19 2HG2 VAL 19 10.167 -8.726 8.844
159 H LEU 20 H LEU 20 6.348 -5.330 6.983
160 HA LEU 20 HA LEU 20 6.878 -4.889 4.114
161 HG LEU 20 HG LEU 20 5.021 -2.191 4.349
162 HB2 LEU 20 2HB LEU 20 4.542 -5.158 4.418
163 HB3 LEU 20 1HB LEU 20 4.523 -4.113 5.825
164 HD11 LEU 20 1HD1 LEU 20 6.150 -3.380 2.543
165 HD12 LEU 20 2HD1 LEU 20 4.782 -2.450 1.932
166 HD13 LEU 20 3HD1 LEU 20 4.643 -4.197 2.132
167 HD21 LEU 20 3HD2 LEU 20 2.788 -2.114 3.313
168 HD22 LEU 20 1HD2 LEU 20 2.745 -2.686 4.981
169 HD23 LEU 20 2HD2 LEU 20 2.597 -3.834 3.650
170 H SER 21 H SER 21 8.352 -3.404 3.804
171 HA SER 21 HA SER 21 8.700 -1.285 5.806
172 HG SER 21 HG SER 21 9.953 -3.354 6.068
173 HB2 SER 21 2HB SER 21 10.680 -2.188 3.704
174 HB3 SER 21 1HB SER 21 10.995 -1.167 5.107
175 H ARG 22 H ARG 22 9.360 0.868 4.926
176 HA ARG 22 HA ARG 22 7.484 1.714 2.979
177 HE ARG 22 HE ARG 22 9.078 6.212 4.328
178 HB2 ARG 22 2HB ARG 22 9.777 3.105 4.344
179 HB3 ARG 22 1HB ARG 22 8.831 3.909 3.097
180 HG2 ARG 22 2HG ARG 22 6.810 3.598 4.402
181 HG3 ARG 22 1HG ARG 22 7.724 2.735 5.636
182 HD2 ARG 22 2HD ARG 22 7.300 5.043 6.291
183 HD3 ARG 22 1HD ARG 22 9.024 4.734 6.098
184 HH11 ARG 22 1HH1 ARG 22 5.742 5.649 5.262
185 HH12 ARG 22 2HH1 ARG 22 5.108 6.891 4.214
186 HH21 ARG 22 1HH2 ARG 22 8.239 7.884 3.005
187 HH22 ARG 22 2HH2 ARG 22 6.521 8.175 2.963
188 H ALA 23 H ALA 23 10.789 0.684 2.735
189 HA ALA 23 HA ALA 23 10.951 1.567 -0.042
190 HB1 ALA 23 3HB ALA 23 13.242 0.729 0.028
191 HB2 ALA 23 1HB ALA 23 12.963 0.077 1.641
192 HB3 ALA 23 2HB ALA 23 12.929 1.820 1.376
193 H ASP 24 H ASP 24 9.660 -0.994 1.615
194 HA ASP 24 HA ASP 24 10.318 -3.027 -0.363
195 HB2 ASP 24 2HB ASP 24 10.126 -3.620 2.065
196 HB3 ASP 24 1HB ASP 24 8.409 -3.236 1.981
197 H LEU 25 H LEU 25 7.987 -0.648 0.239
198 HA LEU 25 HA LEU 25 5.709 -1.588 -1.033
199 HG LEU 25 HG LEU 25 5.969 0.229 1.234
200 HB2 LEU 25 2HB LEU 25 6.923 1.162 -0.893
201 HB3 LEU 25 1HB LEU 25 5.375 0.861 -1.658
202 HD11 LEU 25 1HD1 LEU 25 4.626 2.229 1.725
203 HD12 LEU 25 2HD1 LEU 25 4.591 2.610 0.004
204 HD13 LEU 25 3HD1 LEU 25 6.124 2.618 0.878
205 HD21 LEU 25 3HD2 LEU 25 3.378 0.380 -0.301
206 HD22 LEU 25 1HD2 LEU 25 3.543 0.053 1.423
207 HD23 LEU 25 2HD2 LEU 25 4.169 -1.099 0.242
208 HA PRO 26 HA PRO 26 6.725 -2.332 -5.216
209 HB2 PRO 26 2HB PRO 26 4.480 -1.256 -6.447
210 HB3 PRO 26 1HB PRO 26 4.579 -2.879 -5.758
211 HG2 PRO 26 2HG PRO 26 3.429 -0.390 -4.590
212 HG3 PRO 26 1HG PRO 26 2.847 -2.061 -4.475
213 HD2 PRO 26 2HD PRO 26 4.132 -0.873 -2.443
214 HD3 PRO 26 1HD PRO 26 4.355 -2.599 -2.800
215 HA PRO 27 HA PRO 27 8.605 1.327 -6.892
216 HB2 PRO 27 2HB PRO 27 8.629 0.572 -9.545
217 HB3 PRO 27 1HB PRO 27 9.828 0.066 -8.353
218 HG2 PRO 27 2HG PRO 27 7.428 -1.397 -9.374
219 HG3 PRO 27 1HG PRO 27 9.052 -2.016 -9.018
220 HD2 PRO 27 2HD PRO 27 7.000 -2.399 -7.331
221 HD3 PRO 27 1HD PRO 27 8.650 -2.121 -6.739
222 H LEU 28 H LEU 28 8.102 3.132 -8.269
223 HA LEU 28 HA LEU 28 5.296 3.680 -8.288
224 HG LEU 28 HG LEU 28 8.086 4.968 -7.131
225 HB2 LEU 28 2HB LEU 28 7.512 5.346 -9.480
226 HB3 LEU 28 1HB LEU 28 5.914 5.892 -9.017
227 HD11 LEU 28 1HD1 LEU 28 8.514 7.159 -8.112
228 HD12 LEU 28 2HD1 LEU 28 8.107 7.295 -6.401
229 HD13 LEU 28 3HD1 LEU 28 6.905 7.698 -7.629
230 HD21 LEU 28 3HD2 LEU 28 5.313 6.010 -6.555
231 HD22 LEU 28 1HD2 LEU 28 6.560 5.683 -5.351
232 HD23 LEU 28 2HD2 LEU 28 5.879 4.360 -6.299
233 H ASP 29 H ASP 29 7.232 2.072 -10.414
234 HA ASP 29 HA ASP 29 6.208 3.127 -12.898
235 HB2 ASP 29 2HB ASP 29 7.839 0.623 -12.443
236 HB3 ASP 29 1HB ASP 29 7.620 1.478 -13.964
237 H THR 30 H THR 30 5.064 0.918 -10.628
238 HA THR 30 HA THR 30 4.195 -1.123 -12.412
239 HB THR 30 HB THR 30 4.647 -1.749 -10.137
240 HG1 THR 30 HG1 THR 30 1.832 -1.925 -10.534
241 HG21 THR 30 3HG2 THR 30 2.384 0.087 -9.347
242 HG22 THR 30 1HG2 THR 30 4.093 0.310 -8.976
243 HG23 THR 30 2HG2 THR 30 3.207 -1.041 -8.269
244 H ARG 31 H ARG 31 2.744 -0.727 -13.914
245 HA ARG 31 HA ARG 31 0.199 0.498 -13.099
246 HE ARG 31 HE ARG 31 -1.723 1.845 -15.904
247 HB2 ARG 31 2HB ARG 31 1.534 0.098 -15.744
248 HB3 ARG 31 1HB ARG 31 -0.220 0.176 -15.683
249 HG2 ARG 31 2HG ARG 31 1.671 2.290 -14.670
250 HG3 ARG 31 1HG ARG 31 0.756 2.352 -16.178
251 HD2 ARG 31 2HD ARG 31 -0.357 2.304 -13.375
252 HD3 ARG 31 1HD ARG 31 -0.391 3.655 -14.507
253 HH11 ARG 31 1HH1 ARG 31 -2.024 2.698 -12.520
254 HH12 ARG 31 2HH1 ARG 31 -3.689 2.210 -12.406
255 HH21 ARG 31 1HH2 ARG 31 -3.880 1.208 -15.779
256 HH22 ARG 31 2HH2 ARG 31 -4.759 1.368 -14.281
257 H ARG 32 H ARG 32 1.730 -2.420 -14.199
258 HA ARG 32 HA ARG 32 -0.731 -3.914 -14.323
259 HE ARG 32 HE ARG 32 2.123 -7.290 -15.100
260 HB2 ARG 32 2HB ARG 32 0.758 -5.884 -14.580
261 HB3 ARG 32 1HB ARG 32 1.085 -4.617 -15.753
262 HG2 ARG 32 2HG ARG 32 2.960 -3.863 -14.264
263 HG3 ARG 32 1HG ARG 32 2.695 -5.326 -13.314
264 HD2 ARG 32 2HD ARG 32 3.419 -5.188 -16.235
265 HD3 ARG 32 1HD ARG 32 4.486 -5.657 -14.914
266 HH11 ARG 32 1HH1 ARG 32 5.385 -6.798 -16.256
267 HH12 ARG 32 2HH1 ARG 32 5.607 -8.444 -16.761
268 HH21 ARG 32 1HH2 ARG 32 2.379 -9.460 -15.795
269 HH22 ARG 32 2HH2 ARG 32 3.871 -9.957 -16.542
270 H TRP 33 H TRP 33 -1.404 -3.128 -12.219
271 HA TRP 33 HA TRP 33 -0.022 -3.765 -9.839
272 HD1 TRP 33 HD1 TRP 33 -2.198 -0.552 -11.342
273 HE1 TRP 33 HE1 TRP 33 -1.001 1.480 -10.312
274 HE3 TRP 33 HE3 TRP 33 -0.369 -2.745 -7.107
275 HZ2 TRP 33 HZ2 TRP 33 0.516 2.073 -8.011
276 HZ3 TRP 33 HZ3 TRP 33 0.946 -1.379 -5.543
277 HH2 TRP 33 HH2 TRP 33 1.382 0.982 -5.988
278 HB2 TRP 33 2HB TRP 33 -2.841 -2.921 -10.430
279 HB3 TRP 33 1HB TRP 33 -2.335 -3.326 -8.795
280 H VAL 34 H VAL 34 0.466 -5.855 -9.511
281 HA VAL 34 HA VAL 34 -1.544 -7.913 -9.670
282 HB VAL 34 HB VAL 34 0.160 -9.419 -8.788
283 HG11 VAL 34 1HG1 VAL 34 1.272 -7.564 -10.888
284 HG12 VAL 34 2HG1 VAL 34 0.189 -8.924 -11.172
285 HG13 VAL 34 3HG1 VAL 34 1.819 -9.209 -10.567
286 HG21 VAL 34 3HG2 VAL 34 1.875 -6.952 -8.479
287 HG22 VAL 34 1HG2 VAL 34 2.417 -8.616 -8.255
288 HG23 VAL 34 2HG2 VAL 34 1.209 -7.926 -7.170
289 H ALA 35 H ALA 35 -1.976 -9.294 -7.701
290 HA ALA 35 HA ALA 35 -3.231 -7.718 -5.758
291 HB1 ALA 35 3HB ALA 35 -2.463 -10.627 -5.572
292 HB2 ALA 35 1HB ALA 35 -3.939 -9.994 -6.297
293 HB3 ALA 35 2HB ALA 35 -3.655 -9.801 -4.568
294 H SER 36 H SER 36 -0.122 -9.373 -5.729
295 HA SER 36 HA SER 36 0.546 -9.070 -3.046
296 HG SER 36 HG SER 36 2.348 -11.381 -4.356
297 HB2 SER 36 2HB SER 36 2.443 -8.981 -5.404
298 HB3 SER 36 1HB SER 36 2.839 -9.441 -3.747
299 H ARG 37 H ARG 37 0.827 -6.789 -5.723
300 HA ARG 37 HA ARG 37 2.391 -4.930 -4.172
301 HE ARG 37 HE ARG 37 5.602 -5.176 -7.753
302 HB2 ARG 37 2HB ARG 37 1.148 -4.751 -6.913
303 HB3 ARG 37 1HB ARG 37 2.008 -3.411 -6.166
304 HG2 ARG 37 2HG ARG 37 4.012 -4.846 -5.986
305 HG3 ARG 37 1HG ARG 37 3.137 -6.119 -6.839
306 HD2 ARG 37 2HD ARG 37 2.928 -4.718 -8.794
307 HD3 ARG 37 1HD ARG 37 3.666 -3.362 -7.942
308 HH11 ARG 37 1HH1 ARG 37 3.669 -4.168 -10.497
309 HH12 ARG 37 2HH1 ARG 37 4.890 -4.572 -11.672
310 HH21 ARG 37 1HH2 ARG 37 7.222 -5.687 -9.301
311 HH22 ARG 37 2HH2 ARG 37 6.891 -5.458 -10.990
312 H LYS 38 H LYS 38 -0.957 -5.153 -5.313
313 HA LYS 38 HA LYS 38 -1.847 -2.698 -4.279
314 HB2 LYS 38 2HB LYS 38 -3.326 -5.291 -4.727
315 HB3 LYS 38 1HB LYS 38 -4.115 -3.802 -4.231
316 HG2 LYS 38 2HG LYS 38 -3.124 -2.747 -6.308
317 HG3 LYS 38 1HG LYS 38 -2.708 -4.387 -6.815
318 HD2 LYS 38 2HD LYS 38 -5.018 -5.039 -6.791
319 HD3 LYS 38 1HD LYS 38 -5.494 -3.497 -6.076
320 HE2 LYS 38 2HE LYS 38 -4.558 -2.389 -8.133
321 HE3 LYS 38 1HE LYS 38 -4.403 -3.996 -8.838
322 HZ1 LYS 38 3HZ LYS 38 -6.474 -2.730 -9.410
323 HZ2 LYS 38 1HZ LYS 38 -6.970 -2.946 -7.806
324 HZ3 LYS 38 2HZ LYS 38 -6.723 -4.296 -8.800
325 H ALA 39 H ALA 39 -1.759 -5.929 -2.832
326 HA ALA 39 HA ALA 39 -2.965 -5.322 -0.392
327 HB1 ALA 39 3HB ALA 39 -0.818 -7.368 -0.935
328 HB2 ALA 39 1HB ALA 39 -2.547 -7.608 -1.172
329 HB3 ALA 39 2HB ALA 39 -1.908 -7.345 0.449
330 H ALA 40 H ALA 40 0.430 -5.142 -1.386
331 HA ALA 40 HA ALA 40 1.554 -4.551 1.100
332 HB1 ALA 40 3HB ALA 40 3.440 -3.625 -0.142
333 HB2 ALA 40 1HB ALA 40 2.471 -3.599 -1.614
334 HB3 ALA 40 2HB ALA 40 2.890 -5.138 -0.861
335 H VAL 41 H VAL 41 0.326 -2.358 -1.406
336 HA VAL 41 HA VAL 41 1.000 0.046 -0.105
337 HB VAL 41 HB VAL 41 -1.224 -0.452 -2.094
338 HG11 VAL 41 1HG1 VAL 41 -1.023 1.945 -2.592
339 HG12 VAL 41 2HG1 VAL 41 0.133 2.110 -1.271
340 HG13 VAL 41 3HG1 VAL 41 -1.535 1.653 -0.930
341 HG21 VAL 41 3HG2 VAL 41 1.626 0.431 -2.520
342 HG22 VAL 41 1HG2 VAL 41 0.386 0.324 -3.769
343 HG23 VAL 41 2HG2 VAL 41 0.947 -1.136 -2.953
344 H VAL 42 H VAL 42 -2.067 -1.769 -0.184
345 HA VAL 42 HA VAL 42 -3.436 0.138 1.407
346 HB VAL 42 HB VAL 42 -4.620 -1.395 -0.121
347 HG11 VAL 42 1HG1 VAL 42 -5.082 -3.701 0.558
348 HG12 VAL 42 2HG1 VAL 42 -3.963 -3.518 1.909
349 HG13 VAL 42 3HG1 VAL 42 -3.368 -3.434 0.251
350 HG21 VAL 42 3HG2 VAL 42 -5.478 -1.628 2.756
351 HG22 VAL 42 1HG2 VAL 42 -6.506 -1.867 1.344
352 HG23 VAL 42 2HG2 VAL 42 -5.823 -0.277 1.675
353 H LYS 43 H LYS 43 -1.802 -2.924 2.187
354 HA LYS 43 HA LYS 43 -2.568 -2.972 4.911
355 HB2 LYS 43 2HB LYS 43 -0.233 -4.215 3.457
356 HB3 LYS 43 1HB LYS 43 -0.529 -4.472 5.171
357 HG2 LYS 43 2HG LYS 43 -2.605 -5.583 4.709
358 HG3 LYS 43 1HG LYS 43 -2.505 -5.160 2.997
359 HD2 LYS 43 2HD LYS 43 -0.378 -6.480 2.887
360 HD3 LYS 43 1HD LYS 43 -0.694 -7.019 4.535
361 HE2 LYS 43 2HE LYS 43 -2.794 -7.390 2.447
362 HE3 LYS 43 1HE LYS 43 -1.411 -8.479 2.475
363 HZ1 LYS 43 3HZ LYS 43 -3.314 -8.015 4.707
364 HZ2 LYS 43 1HZ LYS 43 -1.944 -9.017 4.789
365 HZ3 LYS 43 2HZ LYS 43 -3.218 -9.396 3.740
366 H ALA 44 H ALA 44 -0.043 -1.319 3.165
367 HA ALA 44 HA ALA 44 1.627 -0.625 5.315
368 HB1 ALA 44 3HB ALA 44 2.299 -0.366 2.980
369 HB2 ALA 44 1HB ALA 44 2.475 1.147 3.868
370 HB3 ALA 44 2HB ALA 44 1.109 0.919 2.775
371 H VAL 45 H VAL 45 -1.151 1.046 3.877
372 HA VAL 45 HA VAL 45 -1.060 3.289 5.624
373 HB VAL 45 HB VAL 45 -3.451 2.200 4.118
374 HG11 VAL 45 1HG1 VAL 45 -4.080 3.780 5.859
375 HG12 VAL 45 2HG1 VAL 45 -4.301 4.498 4.264
376 HG13 VAL 45 3HG1 VAL 45 -2.907 4.948 5.250
377 HG21 VAL 45 3HG2 VAL 45 -1.620 2.620 2.595
378 HG22 VAL 45 1HG2 VAL 45 -1.370 4.222 3.293
379 HG23 VAL 45 2HG2 VAL 45 -2.851 3.867 2.401
380 H ILE 46 H ILE 46 -2.777 0.215 5.697
381 HA ILE 46 HA ILE 46 -4.446 0.822 7.900
382 HB ILE 46 HB ILE 46 -3.562 -1.858 6.808
383 HG12 ILE 46 2HG1 ILE 46 -6.107 -0.273 6.380
384 HG13 ILE 46 1HG1 ILE 46 -4.790 -0.407 5.222
385 HG21 ILE 46 1HG2 ILE 46 -5.528 -2.780 7.961
386 HG22 ILE 46 2HG2 ILE 46 -5.802 -1.214 8.722
387 HG23 ILE 46 3HG2 ILE 46 -4.339 -2.128 9.088
388 HD11 ILE 46 3HD1 ILE 46 -6.502 -2.677 6.211
389 HD12 ILE 46 1HD1 ILE 46 -5.191 -2.805 5.038
390 HD13 ILE 46 2HD1 ILE 46 -6.640 -1.874 4.646
391 H HIS 47 H HIS 47 -1.128 -0.166 7.700
392 HA HIS 47 HA HIS 47 -1.101 -0.839 10.553
393 HD1 HIS 47 HD1 HIS 47 -0.987 -3.062 11.115
394 HD2 HIS 47 HD2 HIS 47 0.540 -3.669 7.295
395 HE1 HIS 47 HE1 HIS 47 -1.734 -5.369 10.439
396 HE2 HIS 47 HE2 HIS 47 -0.591 -5.783 8.235
397 HB2 HIS 47 2HB HIS 47 0.945 -1.244 8.384
398 HB3 HIS 47 1HB HIS 47 1.298 -1.506 10.089
399 H GLY 48 H GLY 48 -0.625 1.825 8.607
400 HA2 GLY 48 2HA GLY 48 -0.057 3.962 9.343
401 HA3 GLY 48 1HA GLY 48 0.559 3.261 10.830
402 H LEU 49 H LEU 49 1.653 1.831 7.925
403 HA LEU 49 HA LEU 49 4.365 2.643 8.380
404 HG LEU 49 HG LEU 49 5.376 2.181 5.536
405 HB2 LEU 49 2HB LEU 49 3.786 0.446 7.422
406 HB3 LEU 49 1HB LEU 49 3.102 1.241 6.018
407 HD11 LEU 49 1HD1 LEU 49 7.295 1.074 6.588
408 HD12 LEU 49 2HD1 LEU 49 6.198 0.249 7.695
409 HD13 LEU 49 3HD1 LEU 49 6.344 2.006 7.744
410 HD21 LEU 49 3HD2 LEU 49 6.238 0.096 4.601
411 HD22 LEU 49 1HD2 LEU 49 4.500 0.254 4.344
412 HD23 LEU 49 2HD2 LEU 49 5.110 -0.817 5.604
413 H ILE 50 H ILE 50 1.842 3.363 6.057
414 HA ILE 50 HA ILE 50 3.157 5.920 5.475
415 HB ILE 50 HB ILE 50 2.552 5.822 3.137
416 HG12 ILE 50 2HG1 ILE 50 1.533 3.015 3.588
417 HG13 ILE 50 1HG1 ILE 50 0.484 4.428 3.521
418 HG21 ILE 50 1HG2 ILE 50 3.983 4.005 2.334
419 HG22 ILE 50 2HG2 ILE 50 3.960 3.282 3.943
420 HG23 ILE 50 3HG2 ILE 50 4.708 4.861 3.695
421 HD11 ILE 50 3HD1 ILE 50 0.555 3.211 1.405
422 HD12 ILE 50 1HD1 ILE 50 2.291 3.505 1.302
423 HD13 ILE 50 2HD1 ILE 50 1.160 4.859 1.246
424 H THR 51 H THR 51 1.521 7.499 4.591
425 HA THR 51 HA THR 51 -1.031 7.043 5.917
426 HB THR 51 HB THR 51 -0.113 9.159 6.475
427 HG1 THR 51 HG1 THR 51 -2.161 9.692 6.296
428 HG21 THR 51 3HG2 THR 51 1.450 9.429 4.631
429 HG22 THR 51 1HG2 THR 51 0.454 10.873 4.815
430 HG23 THR 51 2HG2 THR 51 0.112 9.723 3.525
431 H GLU 52 H GLU 52 -3.013 7.488 4.844
432 HA GLU 52 HA GLU 52 -3.364 6.019 2.520
433 HB2 GLU 52 2HB GLU 52 -5.066 6.667 4.282
434 HB3 GLU 52 1HB GLU 52 -5.185 8.222 3.477
435 HG2 GLU 52 2HG GLU 52 -5.908 7.083 1.422
436 HG3 GLU 52 1HG GLU 52 -5.843 5.540 2.279
437 H ARG 53 H ARG 53 -3.133 9.514 2.974
438 HA ARG 53 HA ARG 53 -3.620 10.208 0.278
439 HE ARG 53 HE ARG 53 -3.277 12.703 -0.566
440 HB2 ARG 53 2HB ARG 53 -2.462 11.648 2.630
441 HB3 ARG 53 1HB ARG 53 -2.354 12.368 1.029
442 HG2 ARG 53 2HG ARG 53 -4.868 11.587 2.484
443 HG3 ARG 53 1HG ARG 53 -4.283 13.224 2.180
444 HD2 ARG 53 2HD ARG 53 -5.271 11.206 0.174
445 HD3 ARG 53 1HD ARG 53 -5.975 12.773 0.566
446 HH11 ARG 53 1HH1 ARG 53 -6.690 13.383 -1.008
447 HH12 ARG 53 2HH1 ARG 53 -6.427 14.364 -2.423
448 HH21 ARG 53 1HH2 ARG 53 -2.942 13.910 -2.451
449 HH22 ARG 53 2HH2 ARG 53 -4.300 14.659 -3.243
450 H GLU 54 H GLU 54 -0.725 9.328 2.029
451 HA GLU 54 HA GLU 54 1.143 10.207 0.098
452 HB2 GLU 54 2HB GLU 54 1.863 9.673 2.356
453 HB3 GLU 54 1HB GLU 54 1.354 8.004 2.158
454 HG2 GLU 54 2HG GLU 54 3.088 7.563 0.611
455 HG3 GLU 54 1HG GLU 54 3.478 9.274 0.461
456 H ALA 55 H ALA 55 -0.551 7.151 0.615
457 HA ALA 55 HA ALA 55 0.659 5.691 -1.458
458 HB1 ALA 55 3HB ALA 55 -0.718 4.671 0.298
459 HB2 ALA 55 1HB ALA 55 -1.268 4.213 -1.314
460 HB3 ALA 55 2HB ALA 55 -2.150 5.432 -0.394
461 H LEU 56 H LEU 56 -2.176 7.779 -1.397
462 HA LEU 56 HA LEU 56 -2.975 7.312 -4.081
463 HG LEU 56 HG LEU 56 -4.285 7.573 -1.239
464 HB2 LEU 56 2HB LEU 56 -3.574 9.690 -2.319
465 HB3 LEU 56 1HB LEU 56 -4.454 9.221 -3.760
466 HD11 LEU 56 1HD1 LEU 56 -6.511 9.322 -2.274
467 HD12 LEU 56 2HD1 LEU 56 -5.521 9.618 -0.843
468 HD13 LEU 56 3HD1 LEU 56 -6.613 8.235 -0.888
469 HD21 LEU 56 3HD2 LEU 56 -4.620 6.239 -3.257
470 HD22 LEU 56 1HD2 LEU 56 -5.994 7.251 -3.704
471 HD23 LEU 56 2HD2 LEU 56 -6.068 6.252 -2.250
472 H ASP 57 H ASP 57 -0.657 9.479 -2.620
473 HA ASP 57 HA ASP 57 -0.571 11.092 -5.047
474 HB2 ASP 57 2HB ASP 57 0.419 11.491 -2.271
475 HB3 ASP 57 1HB ASP 57 1.239 12.339 -3.579
476 H ARG 58 H ARG 58 1.338 8.625 -3.471
477 HA ARG 58 HA ARG 58 3.634 9.225 -5.137
478 HE ARG 58 HE ARG 58 4.549 4.224 -3.286
479 HB2 ARG 58 2HB ARG 58 4.681 7.240 -4.151
480 HB3 ARG 58 1HB ARG 58 4.060 8.324 -2.919
481 HG2 ARG 58 2HG ARG 58 2.123 6.875 -2.615
482 HG3 ARG 58 1HG ARG 58 2.743 5.787 -3.859
483 HD2 ARG 58 2HD ARG 58 4.350 6.500 -1.422
484 HD3 ARG 58 1HD ARG 58 3.192 5.172 -1.414
485 HH11 ARG 58 1HH1 ARG 58 6.023 6.514 -1.070
486 HH12 ARG 58 2HH1 ARG 58 7.599 5.793 -1.197
487 HH21 ARG 58 1HH2 ARG 58 6.643 3.286 -3.434
488 HH22 ARG 58 2HH2 ARG 58 7.947 3.960 -2.509
489 H TYR 59 H TYR 59 0.766 7.386 -5.421
490 HA TYR 59 HA TYR 59 1.885 6.090 -7.821
491 HD1 TYR 59 HD2 TYR 59 2.631 3.707 -7.725
492 HD2 TYR 59 HD1 TYR 59 0.492 4.303 -4.096
493 HE1 TYR 59 HE2 TYR 59 4.275 2.321 -6.533
494 HE2 TYR 59 HE1 TYR 59 2.133 2.917 -2.896
495 HH TYR 59 HH TYR 59 5.014 1.660 -4.501
496 HB2 TYR 59 2HB TYR 59 -0.384 5.156 -6.055
497 HB3 TYR 59 1HB TYR 59 0.075 4.396 -7.577
498 H SER 60 H SER 60 0.076 8.624 -6.920
499 HA SER 60 HA SER 60 -1.413 10.004 -7.932
500 HG SER 60 HG SER 60 0.444 10.726 -9.089
501 HB2 SER 60 2HB SER 60 -0.605 8.435 -10.393
502 HB3 SER 60 1HB SER 60 -1.456 9.984 -10.404
503 H LEU 61 H LEU 61 -2.506 7.791 -6.657
504 HA LEU 61 HA LEU 61 -4.535 6.664 -8.422
505 HG LEU 61 HG LEU 61 -2.147 5.245 -7.043
506 HB2 LEU 61 2HB LEU 61 -3.896 6.111 -5.524
507 HB3 LEU 61 1HB LEU 61 -5.110 5.265 -6.462
508 HD11 LEU 61 1HD1 LEU 61 -2.639 4.077 -4.980
509 HD12 LEU 61 2HD1 LEU 61 -2.240 2.925 -6.253
510 HD13 LEU 61 3HD1 LEU 61 -3.920 3.163 -5.775
511 HD21 LEU 61 3HD2 LEU 61 -2.707 3.441 -8.604
512 HD22 LEU 61 1HD2 LEU 61 -3.501 4.951 -9.049
513 HD23 LEU 61 2HD2 LEU 61 -4.421 3.672 -8.256
514 H SER 62 H SER 62 -6.769 6.515 -7.570
515 HA SER 62 HA SER 62 -7.590 9.025 -6.269
516 HG SER 62 HG SER 62 -7.496 8.537 -8.907
517 HB2 SER 62 2HB SER 62 -9.256 7.078 -7.895
518 HB3 SER 62 1HB SER 62 -9.782 8.647 -7.282
519 H GLU 63 H GLU 63 -9.540 8.824 -4.825
520 HA GLU 63 HA GLU 63 -8.919 7.037 -2.741
521 HB2 GLU 63 2HB GLU 63 -10.011 9.314 -2.564
522 HB3 GLU 63 1HB GLU 63 -11.504 8.548 -3.099
523 HG2 GLU 63 2HG GLU 63 -11.429 7.058 -1.190
524 HG3 GLU 63 1HG GLU 63 -9.926 7.812 -0.664
525 H GLU 64 H GLU 64 -11.398 7.028 -5.259
526 HA GLU 64 HA GLU 64 -12.874 4.826 -4.316
527 HB2 GLU 64 2HB GLU 64 -13.703 4.639 -6.648
528 HB3 GLU 64 1HB GLU 64 -13.815 6.266 -5.994
529 HG2 GLU 64 2HG GLU 64 -11.762 6.871 -7.208
530 HG3 GLU 64 1HG GLU 64 -11.728 5.250 -7.907
531 H GLU 65 H GLU 65 -9.899 5.042 -6.100
532 HA GLU 65 HA GLU 65 -9.737 2.346 -6.979
533 HB2 GLU 65 2HB GLU 65 -8.331 4.134 -7.905
534 HB3 GLU 65 1HB GLU 65 -7.568 4.364 -6.341
535 HG2 GLU 65 2HG GLU 65 -6.014 3.158 -7.566
536 HG3 GLU 65 1HG GLU 65 -6.796 1.941 -6.560
537 H PHE 66 H PHE 66 -8.216 4.063 -4.276
538 HA PHE 66 HA PHE 66 -7.095 1.841 -3.004
539 HD1 PHE 66 HD1 PHE 66 -4.742 2.759 -1.851
540 HD2 PHE 66 HD2 PHE 66 -8.108 3.652 0.592
541 HE1 PHE 66 HE1 PHE 66 -3.495 2.006 0.130
542 HE2 PHE 66 HE2 PHE 66 -6.868 2.899 2.580
543 HZ PHE 66 HZ PHE 66 -4.563 2.079 2.350
544 HB2 PHE 66 2HB PHE 66 -6.576 4.278 -2.596
545 HB3 PHE 66 1HB PHE 66 -8.058 4.366 -1.652
546 H ALA 67 H ALA 67 -10.301 3.248 -2.820
547 HA ALA 67 HA ALA 67 -11.280 1.867 -0.585
548 HB1 ALA 67 3HB ALA 67 -12.462 3.745 -1.600
549 HB2 ALA 67 1HB ALA 67 -13.504 2.328 -1.490
550 HB3 ALA 67 2HB ALA 67 -12.786 2.775 -3.036
551 H LEU 68 H LEU 68 -11.162 0.967 -4.007
552 HA LEU 68 HA LEU 68 -12.528 -1.498 -3.717
553 HG LEU 68 HG LEU 68 -12.607 0.720 -5.827
554 HB2 LEU 68 2HB LEU 68 -10.514 -0.606 -5.783
555 HB3 LEU 68 1HB LEU 68 -11.467 -2.073 -5.894
556 HD11 LEU 68 1HD1 LEU 68 -12.220 -1.193 -8.122
557 HD12 LEU 68 2HD1 LEU 68 -11.388 0.342 -7.884
558 HD13 LEU 68 3HD1 LEU 68 -13.123 0.318 -8.197
559 HD21 LEU 68 3HD2 LEU 68 -14.699 -0.369 -6.448
560 HD22 LEU 68 1HD2 LEU 68 -14.108 -0.967 -4.896
561 HD23 LEU 68 2HD2 LEU 68 -13.912 -1.946 -6.351
562 H TRP 69 H TRP 69 -9.124 -0.577 -3.638
563 HA TRP 69 HA TRP 69 -7.998 -3.131 -3.445
564 HD1 TRP 69 HD1 TRP 69 -8.176 -1.214 -5.394
565 HE1 TRP 69 HE1 TRP 69 -6.655 -0.427 -7.315
566 HE3 TRP 69 HE3 TRP 69 -3.807 -0.741 -2.801
567 HZ2 TRP 69 HZ2 TRP 69 -3.948 0.283 -7.673
568 HZ3 TRP 69 HZ3 TRP 69 -1.797 -0.001 -4.004
569 HH2 TRP 69 HH2 TRP 69 -1.867 0.496 -6.391
570 HB2 TRP 69 2HB TRP 69 -7.027 -0.521 -2.268
571 HB3 TRP 69 1HB TRP 69 -6.064 -1.991 -2.347
572 H ARG 70 H ARG 70 -8.852 -0.882 -0.810
573 HA ARG 70 HA ARG 70 -8.104 -2.651 1.263
574 HE ARG 70 HE ARG 70 -10.593 0.912 3.729
575 HB2 ARG 70 2HB ARG 70 -9.277 -1.118 2.767
576 HB3 ARG 70 1HB ARG 70 -8.282 -0.238 1.619
577 HG2 ARG 70 2HG ARG 70 -10.490 -0.073 0.251
578 HG3 ARG 70 1HG ARG 70 -11.250 -0.422 1.804
579 HD2 ARG 70 2HD ARG 70 -9.267 1.797 1.341
580 HD3 ARG 70 1HD ARG 70 -11.015 2.009 1.282
581 HH11 ARG 70 1HH1 ARG 70 -9.273 3.659 2.021
582 HH12 ARG 70 2HH1 ARG 70 -8.957 4.591 3.451
583 HH21 ARG 70 1HH2 ARG 70 -10.227 2.137 5.638
584 HH22 ARG 70 2HH2 ARG 70 -9.545 3.732 5.515
585 H SER 71 H SER 71 -11.004 -2.340 -0.604
586 HA SER 71 HA SER 71 -12.684 -3.821 1.159
587 HG SER 71 HG SER 71 -15.207 -3.424 -0.216
588 HB2 SER 71 2HB SER 71 -13.514 -2.251 -0.608
589 HB3 SER 71 1HB SER 71 -12.988 -3.408 -1.828
590 H ALA 72 H ALA 72 -10.699 -4.613 -1.661
591 HA ALA 72 HA ALA 72 -11.623 -7.333 -1.748
592 HB1 ALA 72 3HB ALA 72 -10.041 -7.605 -3.572
593 HB2 ALA 72 1HB ALA 72 -9.328 -6.033 -3.207
594 HB3 ALA 72 2HB ALA 72 -10.992 -6.134 -3.785
595 H VAL 73 H VAL 73 -8.735 -5.674 -0.558
596 HA VAL 73 HA VAL 73 -7.309 -8.136 -0.139
597 HB VAL 73 HB VAL 73 -6.650 -5.329 0.756
598 HG11 VAL 73 1HG1 VAL 73 -4.915 -7.797 0.740
599 HG12 VAL 73 2HG1 VAL 73 -5.545 -6.980 2.171
600 HG13 VAL 73 3HG1 VAL 73 -4.382 -6.161 1.129
601 HG21 VAL 73 3HG2 VAL 73 -6.693 -5.519 -1.651
602 HG22 VAL 73 1HG2 VAL 73 -5.683 -6.964 -1.586
603 HG23 VAL 73 2HG2 VAL 73 -5.021 -5.403 -1.102
604 H ALA 74 H ALA 74 -8.983 -5.812 1.968
605 HA ALA 74 HA ALA 74 -8.106 -7.171 4.345
606 HB1 ALA 74 3HB ALA 74 -10.177 -5.004 4.024
607 HB2 ALA 74 1HB ALA 74 -8.465 -4.761 4.361
608 HB3 ALA 74 2HB ALA 74 -9.491 -5.563 5.549
609 H ALA 75 H ALA 75 -11.129 -7.005 2.494
610 HA ALA 75 HA ALA 75 -12.510 -8.651 4.437
611 HB1 ALA 75 3HB ALA 75 -13.726 -6.857 3.333
612 HB2 ALA 75 1HB ALA 75 -14.447 -8.419 2.952
613 HB3 ALA 75 2HB ALA 75 -13.432 -7.603 1.763
614 H HIS 76 H HIS 76 -10.182 -9.556 2.610
615 HA HIS 76 HA HIS 76 -11.485 -11.902 1.419
616 HD1 HIS 76 HD1 HIS 76 -8.292 -13.807 0.768
617 HD2 HIS 76 HD2 HIS 76 -10.699 -11.863 -2.003
618 HE1 HIS 76 HE1 HIS 76 -8.465 -15.374 -1.191
619 HE2 HIS 76 HE2 HIS 76 -9.769 -14.098 -2.925
620 HB2 HIS 76 2HB HIS 76 -9.802 -10.405 0.141
621 HB3 HIS 76 1HB HIS 76 -8.572 -11.184 1.128
622 H GLY 77 H GLY 77 -10.390 -11.057 4.312
623 HA2 GLY 77 2HA GLY 77 -8.928 -13.540 4.866
624 HA3 GLY 77 1HA GLY 77 -9.121 -12.182 5.972
625 H GLU 78 H GLU 78 -10.807 -14.868 4.439
626 HA GLU 78 HA GLU 78 -13.014 -14.585 6.338
627 HB2 GLU 78 2HB GLU 78 -14.231 -16.105 4.915
628 HB3 GLU 78 1HB GLU 78 -13.504 -14.855 3.917
629 HG2 GLU 78 2HG GLU 78 -12.254 -17.556 4.308
630 HG3 GLU 78 1HG GLU 78 -13.415 -17.214 3.029
631 H LYS 79 H LYS 79 -10.153 -16.291 5.988
632 HA LYS 79 HA LYS 79 -11.052 -18.839 6.950
633 HB2 LYS 79 2HB LYS 79 -8.238 -17.789 6.650
634 HB3 LYS 79 1HB LYS 79 -8.702 -19.470 6.873
635 HG2 LYS 79 2HG LYS 79 -9.853 -19.458 4.740
636 HG3 LYS 79 1HG LYS 79 -9.456 -17.753 4.520
637 HD2 LYS 79 2HD LYS 79 -7.041 -18.389 4.648
638 HD3 LYS 79 1HD LYS 79 -7.550 -20.080 4.630
639 HE2 LYS 79 2HE LYS 79 -6.960 -19.394 2.394
640 HE3 LYS 79 1HE LYS 79 -8.697 -19.680 2.486
641 HZ1 LYS 79 3HZ LYS 79 -8.137 -17.660 1.258
642 HZ2 LYS 79 1HZ LYS 79 -7.395 -17.014 2.640
643 HZ3 LYS 79 2HZ LYS 79 -9.070 -17.310 2.637
644 H ALA 80 H ALA 80 -9.072 -16.212 8.328
645 HA ALA 80 HA ALA 80 -9.628 -17.346 10.980
646 HB1 ALA 80 3HB ALA 80 -6.950 -16.276 10.093
647 HB2 ALA 80 1HB ALA 80 -7.354 -17.981 10.290
648 HB3 ALA 80 2HB ALA 80 -7.351 -16.909 11.691
649 H LEU 81 H LEU 81 -10.501 -15.937 12.308
650 HA LEU 81 HA LEU 81 -9.921 -13.077 11.946
651 HG LEU 81 HG LEU 81 -11.753 -12.621 10.364
652 HB2 LEU 81 2HB LEU 81 -12.548 -14.370 12.674
653 HB3 LEU 81 1HB LEU 81 -12.225 -12.665 12.892
654 HD11 LEU 81 1HD1 LEU 81 -13.307 -15.200 10.540
655 HD12 LEU 81 2HD1 LEU 81 -11.640 -15.023 9.991
656 HD13 LEU 81 3HD1 LEU 81 -12.956 -14.308 9.061
657 HD21 LEU 81 3HD2 LEU 81 -13.683 -11.577 11.421
658 HD22 LEU 81 1HD2 LEU 81 -14.543 -13.116 11.386
659 HD23 LEU 81 2HD2 LEU 81 -14.121 -12.305 9.877
660 H LYS 82 H LYS 82 -8.277 -13.211 13.519
661 HA LYS 82 HA LYS 82 -8.807 -14.040 16.203
662 HB2 LYS 82 2HB LYS 82 -6.512 -13.822 15.209
663 HB3 LYS 82 1HB LYS 82 -6.720 -12.076 15.207
664 HG2 LYS 82 2HG LYS 82 -6.898 -12.086 17.638
665 HG3 LYS 82 1HG LYS 82 -6.712 -13.841 17.647
666 HD2 LYS 82 2HD LYS 82 -4.491 -13.546 16.562
667 HD3 LYS 82 1HD LYS 82 -4.684 -11.800 16.742
668 HE2 LYS 82 2HE LYS 82 -4.870 -12.084 19.173
669 HE3 LYS 82 1HE LYS 82 -4.650 -13.822 18.979
670 HZ1 LYS 82 3HZ LYS 82 -2.679 -11.682 18.402
671 HZ2 LYS 82 1HZ LYS 82 -2.458 -13.302 17.945
672 HZ3 LYS 82 2HZ LYS 82 -2.575 -12.890 19.586
673 H VAL 83 H VAL 83 -9.101 -12.605 18.054
674 HA VAL 83 HA VAL 83 -11.137 -10.744 17.726
675 HB VAL 83 HB VAL 83 -10.613 -11.820 19.877
676 HG11 VAL 83 1HG1 VAL 83 -8.286 -9.908 19.991
677 HG12 VAL 83 2HG1 VAL 83 -8.193 -11.662 19.838
678 HG13 VAL 83 3HG1 VAL 83 -8.838 -10.939 21.310
679 HG21 VAL 83 3HG2 VAL 83 -10.607 -8.808 20.020
680 HG22 VAL 83 1HG2 VAL 83 -11.081 -9.907 21.316
681 HG23 VAL 83 2HG2 VAL 83 -12.028 -9.832 19.831
682 H THR 84 H THR 84 -7.691 -10.279 17.554
683 HA THR 84 HA THR 84 -7.721 -7.424 17.635
684 HB THR 84 HB THR 84 -5.580 -9.117 16.380
685 HG1 THR 84 HG1 THR 84 -5.043 -8.752 18.957
686 HG21 THR 84 3HG2 THR 84 -5.288 -6.690 16.275
687 HG22 THR 84 1HG2 THR 84 -4.094 -7.415 17.350
688 HG23 THR 84 2HG2 THR 84 -5.495 -6.581 18.023
689 H MET 85 H MET 85 -8.318 -9.801 15.230
690 HA MET 85 HA MET 85 -7.503 -8.247 12.960
691 HB2 MET 85 2HB MET 85 -8.890 -10.889 13.320
692 HB3 MET 85 1HB MET 85 -8.744 -10.164 11.726
693 HG2 MET 85 2HG MET 85 -6.343 -10.187 11.886
694 HG3 MET 85 1HG MET 85 -6.428 -10.763 13.548
695 HE1 MET 85 3HE MET 85 -4.970 -13.825 11.548
696 HE2 MET 85 1HE MET 85 -4.712 -12.734 12.909
697 HE3 MET 85 2HE MET 85 -4.664 -12.112 11.259
698 H ILE 86 H ILE 86 -10.505 -8.838 14.676
699 HA ILE 86 HA ILE 86 -12.301 -7.880 12.749
700 HB ILE 86 HB ILE 86 -12.479 -7.757 15.763
701 HG12 ILE 86 2HG1 ILE 86 -14.360 -9.513 15.036
702 HG13 ILE 86 1HG1 ILE 86 -13.268 -9.719 13.670
703 HG21 ILE 86 1HG2 ILE 86 -14.632 -7.178 13.732
704 HG22 ILE 86 2HG2 ILE 86 -13.888 -6.013 14.827
705 HG23 ILE 86 3HG2 ILE 86 -14.875 -7.324 15.472
706 HD11 ILE 86 3HD1 ILE 86 -11.456 -10.278 15.186
707 HD12 ILE 86 1HD1 ILE 86 -12.842 -11.341 15.431
708 HD13 ILE 86 2HD1 ILE 86 -12.525 -10.029 16.566
709 H GLN 87 H GLN 87 -10.363 -6.188 15.155
710 HA GLN 87 HA GLN 87 -11.263 -3.595 14.919
711 HB2 GLN 87 2HB GLN 87 -9.538 -4.238 16.493
712 HB3 GLN 87 1HB GLN 87 -8.446 -4.641 15.178
713 HG2 GLN 87 2HG GLN 87 -8.448 -2.257 14.512
714 HG3 GLN 87 1HG GLN 87 -9.425 -1.901 15.936
715 HE21 GLN 87 1HE2 GLN 87 -6.867 -4.303 15.904
716 HE22 GLN 87 2HE2 GLN 87 -5.788 -3.434 16.936
717 H LYS 88 H LYS 88 -8.872 -5.260 12.907
718 HA LYS 88 HA LYS 88 -8.305 -3.095 11.185
719 HB2 LYS 88 2HB LYS 88 -8.062 -6.063 10.650
720 HB3 LYS 88 1HB LYS 88 -7.278 -4.788 9.733
721 HG2 LYS 88 2HG LYS 88 -6.769 -4.989 12.662
722 HG3 LYS 88 1HG LYS 88 -5.982 -6.126 11.570
723 HD2 LYS 88 2HD LYS 88 -4.463 -4.341 11.854
724 HD3 LYS 88 1HD LYS 88 -5.179 -4.115 10.260
725 HE2 LYS 88 2HE LYS 88 -5.051 -1.988 11.358
726 HE3 LYS 88 1HE LYS 88 -6.744 -2.467 11.258
727 HZ1 LYS 88 3HZ LYS 88 -5.115 -2.995 13.671
728 HZ2 LYS 88 1HZ LYS 88 -6.800 -2.963 13.523
729 HZ3 LYS 88 2HZ LYS 88 -5.918 -1.517 13.450
730 H TYR 89 H TYR 89 -10.784 -5.560 11.203
731 HA TYR 89 HA TYR 89 -11.637 -5.002 8.504
732 HD1 TYR 89 HD2 TYR 89 -10.655 -6.637 7.760
733 HD2 TYR 89 HD1 TYR 89 -12.416 -8.943 10.871
734 HE1 TYR 89 HE2 TYR 89 -9.076 -8.462 7.291
735 HE2 TYR 89 HE1 TYR 89 -10.841 -10.776 10.411
736 HH TYR 89 HH TYR 89 -8.091 -10.404 8.466
737 HB2 TYR 89 2HB TYR 89 -12.972 -6.659 10.654
738 HB3 TYR 89 1HB TYR 89 -13.440 -6.609 8.960
739 H ARG 90 H ARG 90 -12.300 -3.742 11.632
740 HA ARG 90 HA ARG 90 -14.868 -2.640 10.886
741 HE ARG 90 HE ARG 90 -13.449 -2.211 15.398
742 HB2 ARG 90 2HB ARG 90 -13.131 -2.175 13.314
743 HB3 ARG 90 1HB ARG 90 -14.706 -1.431 13.077
744 HG2 ARG 90 2HG ARG 90 -15.639 -3.769 12.879
745 HG3 ARG 90 1HG ARG 90 -14.070 -4.343 13.444
746 HD2 ARG 90 2HD ARG 90 -15.941 -2.487 14.909
747 HD3 ARG 90 1HD ARG 90 -15.630 -4.178 15.295
748 HH11 ARG 90 1HH1 ARG 90 -15.495 -4.580 16.968
749 HH12 ARG 90 2HH1 ARG 90 -14.585 -4.568 18.451
750 HH21 ARG 90 1HH2 ARG 90 -12.254 -2.172 17.356
751 HH22 ARG 90 2HH2 ARG 90 -12.749 -3.199 18.679
752 H GLN 91 H GLN 91 -11.551 -1.706 10.751
753 HA GLN 91 HA GLN 91 -12.316 1.033 10.011
754 HB2 GLN 91 2HB GLN 91 -9.925 1.556 10.117
755 HB3 GLN 91 1HB GLN 91 -10.481 0.839 11.623
756 HG2 GLN 91 2HG GLN 91 -9.516 -1.291 10.987
757 HG3 GLN 91 1HG GLN 91 -9.003 -0.617 9.440
758 HE21 GLN 91 1HE2 GLN 91 -7.289 0.838 9.393
759 HE22 GLN 91 2HE2 GLN 91 -6.199 1.020 10.718
760 H LEU 92 H LEU 92 -12.524 -1.626 8.530
761 HA LEU 92 HA LEU 92 -10.820 -1.656 6.326
762 HG LEU 92 HG LEU 92 -11.961 -2.985 4.301
763 HB2 LEU 92 2HB LEU 92 -12.095 -3.583 6.892
764 HB3 LEU 92 1HB LEU 92 -13.604 -2.708 6.779
765 HD11 LEU 92 1HD1 LEU 92 -13.664 -5.179 5.487
766 HD12 LEU 92 2HD1 LEU 92 -11.914 -5.229 5.257
767 HD13 LEU 92 3HD1 LEU 92 -12.988 -5.170 3.858
768 HD21 LEU 92 3HD2 LEU 92 -14.210 -3.140 3.306
769 HD22 LEU 92 1HD2 LEU 92 -14.009 -1.675 4.269
770 HD23 LEU 92 2HD2 LEU 92 -14.913 -3.038 4.923
771 H HIS 93 H HIS 93 -14.048 -0.176 6.694
772 HA HIS 93 HA HIS 93 -13.568 1.230 4.152
773 HD1 HIS 93 HD1 HIS 93 -17.665 2.723 4.987
774 HD2 HIS 93 HD2 HIS 93 -15.225 1.555 1.822
775 HE1 HIS 93 HE1 HIS 93 -18.360 4.138 3.031
776 HE2 HIS 93 HE2 HIS 93 -16.989 3.303 1.088
777 HB2 HIS 93 2HB HIS 93 -15.631 -0.146 4.240
778 HB3 HIS 93 1HB HIS 93 -16.197 0.822 5.598
779 H HIS 94 H HIS 94 -14.915 1.725 7.404
780 HA HIS 94 HA HIS 94 -13.616 4.330 7.462
781 HD1 HIS 94 HD1 HIS 94 -17.029 5.572 9.960
782 HD2 HIS 94 HD2 HIS 94 -14.352 7.201 7.232
783 HE1 HIS 94 HE1 HIS 94 -16.606 7.917 10.750
784 HE2 HIS 94 HE2 HIS 94 -14.825 8.812 9.206
785 HB2 HIS 94 2HB HIS 94 -15.901 4.787 6.603
786 HB3 HIS 94 1HB HIS 94 -16.577 4.035 8.045
787 H HIS 95 H HIS 95 -16.200 3.273 9.583
788 HA HIS 95 HA HIS 95 -14.685 2.122 11.641
789 HD1 HIS 95 HD1 HIS 95 -12.496 5.797 11.452
790 HD2 HIS 95 HD2 HIS 95 -12.853 2.277 13.643
791 HE1 HIS 95 HE1 HIS 95 -10.158 5.189 12.148
792 HE2 HIS 95 HE2 HIS 95 -10.377 2.986 13.346
793 HB2 HIS 95 2HB HIS 95 -14.845 5.097 11.679
794 HB3 HIS 95 1HB HIS 95 -15.152 4.267 13.198
Start of MODEL 13
1 HA MET 1 HA MET 1 9.034 17.342 3.402
2 H1 MET 1 1H MET 1 7.155 16.664 5.584
3 H2 MET 1 2H MET 1 7.728 15.596 4.400
4 H3 MET 1 3H MET 1 6.739 16.901 3.956
5 HB2 MET 1 2HB MET 1 7.357 19.098 4.393
6 HB3 MET 1 1HB MET 1 8.413 19.055 5.797
7 HG2 MET 1 2HG MET 1 10.312 19.673 4.342
8 HG3 MET 1 1HG MET 1 9.190 19.808 2.987
9 HE1 MET 1 3HE MET 1 11.114 22.164 3.755
10 HE2 MET 1 1HE MET 1 10.026 23.551 3.705
11 HE3 MET 1 2HE MET 1 9.914 22.296 2.470
12 H TYR 2 H TYR 2 10.875 18.591 5.131
13 HA TYR 2 HA TYR 2 12.209 16.239 6.087
14 HD1 TYR 2 HD2 TYR 2 14.668 16.341 4.534
15 HD2 TYR 2 HD1 TYR 2 12.489 19.973 4.173
16 HE1 TYR 2 HE2 TYR 2 15.151 16.387 2.125
17 HE2 TYR 2 HE1 TYR 2 12.966 20.030 1.764
18 HH TYR 2 HH TYR 2 14.663 19.128 0.205
19 HB2 TYR 2 2HB TYR 2 13.065 19.131 6.334
20 HB3 TYR 2 1HB TYR 2 14.094 17.712 6.516
21 H LEU 3 H LEU 3 11.603 19.355 7.740
22 HA LEU 3 HA LEU 3 11.682 18.042 10.320
23 HG LEU 3 HG LEU 3 13.125 21.417 10.902
24 HB2 LEU 3 2HB LEU 3 11.105 20.896 9.506
25 HB3 LEU 3 1HB LEU 3 11.038 20.344 11.166
26 HD11 LEU 3 1HD1 LEU 3 13.234 19.355 12.173
27 HD12 LEU 3 2HD1 LEU 3 14.739 19.634 11.298
28 HD13 LEU 3 3HD1 LEU 3 13.578 18.449 10.700
29 HD21 LEU 3 3HD2 LEU 3 13.247 21.460 8.480
30 HD22 LEU 3 1HD2 LEU 3 13.566 19.725 8.446
31 HD23 LEU 3 2HD2 LEU 3 14.745 20.825 9.163
32 H LYS 4 H LYS 4 9.314 19.562 8.222
33 HA LYS 4 HA LYS 4 7.103 18.808 9.940
34 HB2 LYS 4 2HB LYS 4 7.098 20.040 7.174
35 HB3 LYS 4 1HB LYS 4 5.704 19.888 8.239
36 HG2 LYS 4 2HG LYS 4 6.612 21.451 9.782
37 HG3 LYS 4 1HG LYS 4 8.172 21.452 8.956
38 HD2 LYS 4 2HD LYS 4 7.123 22.453 6.984
39 HD3 LYS 4 1HD LYS 4 5.565 22.453 7.814
40 HE2 LYS 4 2HE LYS 4 6.417 23.971 9.495
41 HE3 LYS 4 1HE LYS 4 8.028 23.903 8.779
42 HZ1 LYS 4 3HZ LYS 4 7.211 24.987 6.818
43 HZ2 LYS 4 1HZ LYS 4 6.774 25.913 8.169
44 HZ3 LYS 4 2HZ LYS 4 5.616 24.946 7.392
45 H ARG 5 H ARG 5 7.597 16.510 9.862
46 HA ARG 5 HA ARG 5 6.700 15.267 7.346
47 HE ARG 5 HE ARG 5 8.919 11.278 5.699
48 HB2 ARG 5 2HB ARG 5 9.163 14.995 7.872
49 HB3 ARG 5 1HB ARG 5 8.680 14.052 9.275
50 HG2 ARG 5 2HG ARG 5 7.632 12.403 7.856
51 HG3 ARG 5 1HG ARG 5 7.978 13.378 6.425
52 HD2 ARG 5 2HD ARG 5 10.399 13.163 6.937
53 HD3 ARG 5 1HD ARG 5 9.986 12.072 8.259
54 HH11 ARG 5 1HH1 ARG 5 11.654 11.068 7.878
55 HH12 ARG 5 2HH1 ARG 5 12.267 9.608 7.158
56 HH21 ARG 5 1HH2 ARG 5 9.716 9.370 4.755
57 HH22 ARG 5 2HH2 ARG 5 11.159 8.629 5.391
58 H VAL 6 H VAL 6 5.287 13.564 7.503
59 HA VAL 6 HA VAL 6 3.739 13.344 9.891
60 HB VAL 6 HB VAL 6 3.738 11.533 7.463
61 HG11 VAL 6 1HG1 VAL 6 1.684 11.906 9.641
62 HG12 VAL 6 2HG1 VAL 6 2.688 10.478 9.385
63 HG13 VAL 6 3HG1 VAL 6 1.470 10.928 8.189
64 HG21 VAL 6 3HG2 VAL 6 3.275 13.843 6.856
65 HG22 VAL 6 1HG2 VAL 6 2.030 13.935 8.102
66 HG23 VAL 6 2HG2 VAL 6 1.815 12.862 6.720
67 H ASP 7 H ASP 7 3.993 11.985 11.576
68 HA ASP 7 HA ASP 7 6.365 10.429 11.780
69 HB2 ASP 7 2HB ASP 7 5.458 11.481 13.761
70 HB3 ASP 7 1HB ASP 7 3.949 10.587 13.594
71 H GLY 8 H GLY 8 6.604 8.659 10.642
72 HA2 GLY 8 2HA GLY 8 4.619 6.536 11.009
73 HA3 GLY 8 1HA GLY 8 5.160 6.929 9.381
74 HA PRO 9 HA PRO 9 8.223 4.103 11.778
75 HB2 PRO 9 2HB PRO 9 6.818 1.743 10.774
76 HB3 PRO 9 1HB PRO 9 7.324 2.123 12.422
77 HG2 PRO 9 2HG PRO 9 4.729 2.103 11.666
78 HG3 PRO 9 1HG PRO 9 5.349 3.191 12.920
79 HD2 PRO 9 2HD PRO 9 4.731 3.767 10.046
80 HD3 PRO 9 1HD PRO 9 4.412 4.757 11.487
81 H ARG 10 H ARG 10 9.836 2.838 10.761
82 HA ARG 10 HA ARG 10 10.052 3.262 7.908
83 HE ARG 10 HE ARG 10 14.210 2.498 8.397
84 HB2 ARG 10 2HB ARG 10 11.881 1.961 9.932
85 HB3 ARG 10 1HB ARG 10 12.272 2.100 8.224
86 HG2 ARG 10 2HG ARG 10 12.371 4.456 8.341
87 HG3 ARG 10 1HG ARG 10 11.637 4.475 9.947
88 HD2 ARG 10 2HD ARG 10 14.096 4.856 9.949
89 HD3 ARG 10 1HD ARG 10 13.579 3.479 10.919
90 HH11 ARG 10 1HH1 ARG 10 15.861 4.092 11.057
91 HH12 ARG 10 2HH1 ARG 10 17.385 3.314 10.728
92 HH21 ARG 10 1HH2 ARG 10 16.195 1.505 7.967
93 HH22 ARG 10 2HH2 ARG 10 17.581 1.862 8.951
94 H GLN 11 H GLN 11 9.117 0.754 10.058
95 HA GLN 11 HA GLN 11 8.355 -0.908 7.837
96 HB2 GLN 11 2HB GLN 11 9.490 -2.930 8.716
97 HB3 GLN 11 1HB GLN 11 10.610 -1.705 8.139
98 HG2 GLN 11 2HG GLN 11 11.080 -1.019 10.414
99 HG3 GLN 11 1HG GLN 11 9.892 -2.173 11.025
100 HE21 GLN 11 1HE2 GLN 11 11.433 -3.257 12.253
101 HE22 GLN 11 2HE2 GLN 11 12.615 -4.297 11.526
102 H VAL 12 H VAL 12 6.680 -2.251 8.298
103 HA VAL 12 HA VAL 12 5.722 -2.290 11.087
104 HB VAL 12 HB VAL 12 3.408 -2.409 10.165
105 HG11 VAL 12 1HG1 VAL 12 4.285 -0.306 11.017
106 HG12 VAL 12 2HG1 VAL 12 3.226 -0.017 9.638
107 HG13 VAL 12 3HG1 VAL 12 4.976 0.060 9.437
108 HG21 VAL 12 3HG2 VAL 12 3.015 -1.697 7.852
109 HG22 VAL 12 1HG2 VAL 12 3.924 -3.207 7.929
110 HG23 VAL 12 2HG2 VAL 12 4.756 -1.694 7.567
111 H THR 13 H THR 13 4.324 -4.171 11.585
112 HA THR 13 HA THR 13 5.428 -6.556 10.300
113 HB THR 13 HB THR 13 3.757 -6.417 12.815
114 HG1 THR 13 HG1 THR 13 6.337 -5.664 12.352
115 HG21 THR 13 3HG2 THR 13 5.669 -8.516 11.770
116 HG22 THR 13 1HG2 THR 13 3.911 -8.640 11.786
117 HG23 THR 13 2HG2 THR 13 4.803 -8.584 13.305
118 H LEU 14 H LEU 14 4.203 -8.072 9.274
119 HA LEU 14 HA LEU 14 1.412 -7.413 8.711
120 HG LEU 14 HG LEU 14 2.782 -8.540 5.410
121 HB2 LEU 14 2HB LEU 14 3.230 -9.573 7.632
122 HB3 LEU 14 1HB LEU 14 1.539 -9.438 7.208
123 HD11 LEU 14 1HD1 LEU 14 1.779 -6.223 7.047
124 HD12 LEU 14 2HD1 LEU 14 0.795 -7.254 6.010
125 HD13 LEU 14 3HD1 LEU 14 2.047 -6.230 5.304
126 HD21 LEU 14 3HD2 LEU 14 4.500 -6.938 5.577
127 HD22 LEU 14 1HD2 LEU 14 4.863 -8.191 6.757
128 HD23 LEU 14 2HD2 LEU 14 4.172 -6.656 7.287
129 HA PRO 15 HA PRO 15 -0.165 -10.437 11.635
130 HB2 PRO 15 2HB PRO 15 -2.404 -10.701 9.734
131 HB3 PRO 15 1HB PRO 15 -2.427 -10.205 11.428
132 HG2 PRO 15 2HG PRO 15 -2.845 -8.455 9.432
133 HG3 PRO 15 1HG PRO 15 -2.015 -7.997 10.930
134 HD2 PRO 15 2HD PRO 15 -0.869 -8.590 8.230
135 HD3 PRO 15 1HD PRO 15 -0.379 -7.371 9.425
136 H ASP 16 H ASP 16 0.638 -10.842 8.392
137 HA ASP 16 HA ASP 16 0.104 -13.676 8.222
138 HB2 ASP 16 2HB ASP 16 1.709 -11.887 6.379
139 HB3 ASP 16 1HB ASP 16 1.153 -13.514 6.015
140 H GLY 17 H GLY 17 2.299 -11.865 9.833
141 HA2 GLY 17 2HA GLY 17 4.255 -12.436 10.918
142 HA3 GLY 17 1HA GLY 17 4.156 -14.027 10.181
143 H THR 18 H THR 18 4.603 -10.677 9.105
144 HA THR 18 HA THR 18 7.082 -11.386 7.764
145 HB THR 18 HB THR 18 4.837 -10.131 6.159
146 HG1 THR 18 HG1 THR 18 5.292 -12.762 6.806
147 HG21 THR 18 3HG2 THR 18 7.452 -11.403 5.331
148 HG22 THR 18 1HG2 THR 18 7.096 -9.677 5.331
149 HG23 THR 18 2HG2 THR 18 6.234 -10.756 4.233
150 H VAL 19 H VAL 19 8.096 -9.330 6.809
151 HA VAL 19 HA VAL 19 7.365 -7.017 8.482
152 HB VAL 19 HB VAL 19 10.065 -7.668 7.282
153 HG11 VAL 19 1HG1 VAL 19 10.870 -5.797 8.677
154 HG12 VAL 19 2HG1 VAL 19 9.200 -5.436 9.118
155 HG13 VAL 19 3HG1 VAL 19 9.722 -5.277 7.441
156 HG21 VAL 19 3HG2 VAL 19 9.520 -9.186 9.097
157 HG22 VAL 19 1HG2 VAL 19 9.105 -7.824 10.138
158 HG23 VAL 19 2HG2 VAL 19 10.770 -8.050 9.603
159 H LEU 20 H LEU 20 6.791 -5.183 7.516
160 HA LEU 20 HA LEU 20 7.192 -4.932 4.604
161 HG LEU 20 HG LEU 20 5.276 -2.397 4.483
162 HB2 LEU 20 2HB LEU 20 4.850 -5.303 5.129
163 HB3 LEU 20 1HB LEU 20 4.874 -4.028 6.325
164 HD11 LEU 20 1HD1 LEU 20 6.249 -3.947 2.859
165 HD12 LEU 20 2HD1 LEU 20 4.858 -3.098 2.188
166 HD13 LEU 20 3HD1 LEU 20 4.698 -4.772 2.719
167 HD21 LEU 20 3HD2 LEU 20 3.052 -2.773 5.389
168 HD22 LEU 20 1HD2 LEU 20 2.800 -4.094 4.246
169 HD23 LEU 20 2HD2 LEU 20 2.981 -2.441 3.659
170 H SER 21 H SER 21 8.993 -3.634 4.585
171 HA SER 21 HA SER 21 9.014 -1.228 6.226
172 HG SER 21 HG SER 21 10.825 -3.119 3.695
173 HB2 SER 21 2HB SER 21 11.265 -0.881 5.400
174 HB3 SER 21 1HB SER 21 11.106 -2.566 5.883
175 H ARG 22 H ARG 22 9.738 0.838 4.971
176 HA ARG 22 HA ARG 22 7.678 1.402 3.082
177 HE ARG 22 HE ARG 22 6.613 5.256 5.574
178 HB2 ARG 22 2HB ARG 22 10.122 3.089 3.628
179 HB3 ARG 22 1HB ARG 22 8.581 3.627 2.976
180 HG2 ARG 22 2HG ARG 22 7.552 2.933 5.171
181 HG3 ARG 22 1HG ARG 22 9.196 2.732 5.777
182 HD2 ARG 22 2HD ARG 22 8.829 4.883 6.421
183 HD3 ARG 22 1HD ARG 22 9.456 5.182 4.802
184 HH11 ARG 22 1HH1 ARG 22 9.190 6.098 3.343
185 HH12 ARG 22 2HH1 ARG 22 8.218 7.249 2.467
186 HH21 ARG 22 1HH2 ARG 22 5.354 6.781 4.433
187 HH22 ARG 22 2HH2 ARG 22 6.030 7.638 3.083
188 H ALA 23 H ALA 23 10.734 -0.002 2.828
189 HA ALA 23 HA ALA 23 11.101 0.695 0.025
190 HB1 ALA 23 3HB ALA 23 13.158 -0.608 0.181
191 HB2 ALA 23 1HB ALA 23 12.725 -1.105 1.817
192 HB3 ALA 23 2HB ALA 23 13.063 0.589 1.472
193 H ASP 24 H ASP 24 9.352 -1.536 1.789
194 HA ASP 24 HA ASP 24 9.549 -3.687 -0.158
195 HB2 ASP 24 2HB ASP 24 7.992 -3.340 2.391
196 HB3 ASP 24 1HB ASP 24 7.640 -4.659 1.280
197 H LEU 25 H LEU 25 7.979 -0.793 0.051
198 HA LEU 25 HA LEU 25 5.459 -1.416 -1.086
199 HG LEU 25 HG LEU 25 6.084 0.432 1.132
200 HB2 LEU 25 2HB LEU 25 7.116 1.101 -1.039
201 HB3 LEU 25 1HB LEU 25 5.526 1.026 -1.772
202 HD11 LEU 25 1HD1 LEU 25 5.049 2.610 1.563
203 HD12 LEU 25 2HD1 LEU 25 4.978 2.913 -0.171
204 HD13 LEU 25 3HD1 LEU 25 6.539 2.765 0.634
205 HD21 LEU 25 3HD2 LEU 25 3.506 0.830 -0.381
206 HD22 LEU 25 1HD2 LEU 25 3.653 0.594 1.360
207 HD23 LEU 25 2HD2 LEU 25 4.111 -0.700 0.254
208 HA PRO 26 HA PRO 26 6.559 -2.212 -5.311
209 HB2 PRO 26 2HB PRO 26 4.341 -1.211 -6.560
210 HB3 PRO 26 1HB PRO 26 4.374 -2.771 -5.733
211 HG2 PRO 26 2HG PRO 26 3.366 -0.130 -4.753
212 HG3 PRO 26 1HG PRO 26 2.645 -1.741 -4.581
213 HD2 PRO 26 2HD PRO 26 3.997 -0.567 -2.573
214 HD3 PRO 26 1HD PRO 26 4.055 -2.324 -2.842
215 HA PRO 27 HA PRO 27 8.442 1.485 -6.739
216 HB2 PRO 27 2HB PRO 27 8.821 0.875 -9.357
217 HB3 PRO 27 1HB PRO 27 9.768 0.153 -8.051
218 HG2 PRO 27 2HG PRO 27 7.402 -0.954 -9.514
219 HG3 PRO 27 1HG PRO 27 8.920 -1.760 -9.068
220 HD2 PRO 27 2HD PRO 27 6.654 -2.087 -7.639
221 HD3 PRO 27 1HD PRO 27 8.256 -2.075 -6.875
222 H LEU 28 H LEU 28 8.268 3.235 -8.342
223 HA LEU 28 HA LEU 28 5.508 4.017 -8.599
224 HG LEU 28 HG LEU 28 8.065 5.219 -7.078
225 HB2 LEU 28 2HB LEU 28 8.007 5.448 -9.503
226 HB3 LEU 28 1HB LEU 28 6.402 6.144 -9.419
227 HD11 LEU 28 1HD1 LEU 28 8.849 7.298 -8.068
228 HD12 LEU 28 2HD1 LEU 28 8.107 7.590 -6.493
229 HD13 LEU 28 3HD1 LEU 28 7.221 7.970 -7.972
230 HD21 LEU 28 3HD2 LEU 28 5.690 4.811 -6.687
231 HD22 LEU 28 1HD2 LEU 28 5.328 6.481 -7.120
232 HD23 LEU 28 2HD2 LEU 28 6.286 6.132 -5.682
233 H ASP 29 H ASP 29 7.731 2.415 -10.565
234 HA ASP 29 HA ASP 29 6.639 3.277 -13.097
235 HB2 ASP 29 2HB ASP 29 8.068 1.515 -14.073
236 HB3 ASP 29 1HB ASP 29 8.974 2.581 -13.006
237 H THR 30 H THR 30 5.400 1.497 -10.706
238 HA THR 30 HA THR 30 4.331 -0.683 -12.257
239 HB THR 30 HB THR 30 3.795 0.181 -9.414
240 HG1 THR 30 HG1 THR 30 5.875 -0.979 -10.456
241 HG21 THR 30 3HG2 THR 30 1.892 -1.057 -10.390
242 HG22 THR 30 1HG2 THR 30 2.708 -1.969 -9.120
243 HG23 THR 30 2HG2 THR 30 2.991 -2.372 -10.813
244 H ARG 31 H ARG 31 2.686 -0.508 -13.510
245 HA ARG 31 HA ARG 31 0.414 1.142 -12.649
246 HE ARG 31 HE ARG 31 0.982 3.810 -13.753
247 HB2 ARG 31 2HB ARG 31 1.716 2.126 -14.587
248 HB3 ARG 31 1HB ARG 31 1.229 0.722 -15.527
249 HG2 ARG 31 2HG ARG 31 -0.164 2.731 -15.907
250 HG3 ARG 31 1HG ARG 31 -1.070 1.321 -15.358
251 HD2 ARG 31 2HD ARG 31 -1.707 3.495 -14.266
252 HD3 ARG 31 1HD ARG 31 -1.273 2.195 -13.160
253 HH11 ARG 31 1HH1 ARG 31 -2.002 3.838 -11.906
254 HH12 ARG 31 2HH1 ARG 31 -1.359 4.877 -10.667
255 HH21 ARG 31 1HH2 ARG 31 1.829 5.150 -12.112
256 HH22 ARG 31 2HH2 ARG 31 0.807 5.614 -10.779
257 H ARG 32 H ARG 32 1.654 -1.706 -14.271
258 HA ARG 32 HA ARG 32 -0.932 -2.956 -14.448
259 HE ARG 32 HE ARG 32 -2.233 -6.684 -15.138
260 HB2 ARG 32 2HB ARG 32 1.224 -3.484 -15.840
261 HB3 ARG 32 1HB ARG 32 1.673 -4.468 -14.454
262 HG2 ARG 32 2HG ARG 32 -0.945 -4.792 -15.887
263 HG3 ARG 32 1HG ARG 32 0.517 -5.653 -16.364
264 HD2 ARG 32 2HD ARG 32 0.604 -6.836 -14.336
265 HD3 ARG 32 1HD ARG 32 -0.540 -5.745 -13.557
266 HH11 ARG 32 1HH1 ARG 32 0.618 -8.538 -14.274
267 HH12 ARG 32 2HH1 ARG 32 -0.167 -10.075 -14.502
268 HH21 ARG 32 1HH2 ARG 32 -3.253 -8.687 -15.448
269 HH22 ARG 32 2HH2 ARG 32 -2.366 -10.163 -15.191
270 H TRP 33 H TRP 33 -1.619 -2.516 -12.322
271 HA TRP 33 HA TRP 33 -0.158 -3.470 -10.056
272 HD1 TRP 33 HD1 TRP 33 -2.163 -0.044 -11.343
273 HE1 TRP 33 HE1 TRP 33 -0.755 1.881 -10.374
274 HE3 TRP 33 HE3 TRP 33 -0.261 -2.424 -7.244
275 HZ2 TRP 33 HZ2 TRP 33 0.925 2.331 -8.155
276 HZ3 TRP 33 HZ3 TRP 33 1.233 -1.174 -5.743
277 HH2 TRP 33 HH2 TRP 33 1.815 1.153 -6.194
278 HB2 TRP 33 2HB TRP 33 -2.945 -2.368 -10.380
279 HB3 TRP 33 1HB TRP 33 -2.291 -2.870 -8.824
280 H VAL 34 H VAL 34 0.087 -5.565 -9.728
281 HA VAL 34 HA VAL 34 -2.128 -7.415 -10.098
282 HB VAL 34 HB VAL 34 -0.508 -9.142 -9.291
283 HG11 VAL 34 1HG1 VAL 34 0.411 -7.430 -11.595
284 HG12 VAL 34 2HG1 VAL 34 -0.779 -8.727 -11.666
285 HG13 VAL 34 3HG1 VAL 34 0.905 -9.096 -11.299
286 HG21 VAL 34 3HG2 VAL 34 0.894 -7.732 -7.887
287 HG22 VAL 34 1HG2 VAL 34 1.435 -6.831 -9.305
288 HG23 VAL 34 2HG2 VAL 34 1.867 -8.531 -9.120
289 H ALA 35 H ALA 35 -2.403 -9.048 -8.197
290 HA ALA 35 HA ALA 35 -3.653 -7.612 -6.144
291 HB1 ALA 35 3HB ALA 35 -4.330 -9.858 -6.825
292 HB2 ALA 35 1HB ALA 35 -4.045 -9.769 -5.087
293 HB3 ALA 35 2HB ALA 35 -2.844 -10.515 -6.141
294 H SER 36 H SER 36 -0.545 -9.333 -6.150
295 HA SER 36 HA SER 36 0.010 -9.054 -3.417
296 HG SER 36 HG SER 36 2.764 -9.137 -6.282
297 HB2 SER 36 2HB SER 36 2.443 -9.336 -4.218
298 HB3 SER 36 1HB SER 36 1.305 -10.630 -4.595
299 H ARG 37 H ARG 37 0.749 -6.933 -6.148
300 HA ARG 37 HA ARG 37 2.296 -5.104 -4.613
301 HE ARG 37 HE ARG 37 5.559 -4.827 -7.860
302 HB2 ARG 37 2HB ARG 37 1.052 -4.959 -7.344
303 HB3 ARG 37 1HB ARG 37 1.860 -3.569 -6.628
304 HG2 ARG 37 2HG ARG 37 3.905 -4.916 -6.383
305 HG3 ARG 37 1HG ARG 37 3.089 -6.259 -7.185
306 HD2 ARG 37 2HD ARG 37 3.077 -5.199 -9.235
307 HD3 ARG 37 1HD ARG 37 3.216 -3.594 -8.518
308 HH11 ARG 37 1HH1 ARG 37 3.884 -4.317 -10.894
309 HH12 ARG 37 2HH1 ARG 37 5.335 -4.063 -11.812
310 HH21 ARG 37 1HH2 ARG 37 7.483 -4.513 -9.065
311 HH22 ARG 37 2HH2 ARG 37 7.386 -4.173 -10.765
312 H LYS 38 H LYS 38 -1.098 -5.224 -5.576
313 HA LYS 38 HA LYS 38 -1.815 -2.696 -4.523
314 HB2 LYS 38 2HB LYS 38 -3.484 -5.189 -4.906
315 HB3 LYS 38 1HB LYS 38 -4.137 -3.620 -4.467
316 HG2 LYS 38 2HG LYS 38 -3.238 -2.700 -6.582
317 HG3 LYS 38 1HG LYS 38 -2.726 -4.328 -7.027
318 HD2 LYS 38 2HD LYS 38 -5.073 -5.080 -6.847
319 HD3 LYS 38 1HD LYS 38 -5.555 -3.419 -6.495
320 HE2 LYS 38 2HE LYS 38 -4.683 -2.711 -8.678
321 HE3 LYS 38 1HE LYS 38 -4.206 -4.374 -9.022
322 HZ1 LYS 38 3HZ LYS 38 -6.245 -4.043 -10.104
323 HZ2 LYS 38 1HZ LYS 38 -6.952 -3.285 -8.760
324 HZ3 LYS 38 2HZ LYS 38 -6.626 -4.947 -8.724
325 H ALA 39 H ALA 39 -1.738 -5.936 -3.125
326 HA ALA 39 HA ALA 39 -2.926 -5.339 -0.660
327 HB1 ALA 39 3HB ALA 39 -0.878 -7.461 -1.286
328 HB2 ALA 39 1HB ALA 39 -2.624 -7.620 -1.477
329 HB3 ALA 39 2HB ALA 39 -1.927 -7.419 0.130
330 H ALA 40 H ALA 40 0.473 -5.267 -1.673
331 HA ALA 40 HA ALA 40 1.601 -4.734 0.837
332 HB1 ALA 40 3HB ALA 40 2.579 -3.861 -1.885
333 HB2 ALA 40 1HB ALA 40 2.939 -5.396 -1.091
334 HB3 ALA 40 2HB ALA 40 3.537 -3.885 -0.404
335 H VAL 41 H VAL 41 0.305 -2.543 -1.632
336 HA VAL 41 HA VAL 41 1.054 -0.125 -0.371
337 HB VAL 41 HB VAL 41 -1.255 -0.648 -2.251
338 HG11 VAL 41 1HG1 VAL 41 -1.191 1.757 -2.700
339 HG12 VAL 41 2HG1 VAL 41 0.054 1.954 -1.468
340 HG13 VAL 41 3HG1 VAL 41 -1.564 1.427 -1.008
341 HG21 VAL 41 3HG2 VAL 41 0.237 0.198 -3.987
342 HG22 VAL 41 1HG2 VAL 41 0.911 -1.235 -3.206
343 HG23 VAL 41 2HG2 VAL 41 1.530 0.363 -2.797
344 H VAL 42 H VAL 42 -2.035 -1.906 -0.359
345 HA VAL 42 HA VAL 42 -3.340 -0.021 1.298
346 HB VAL 42 HB VAL 42 -4.573 -1.545 -0.194
347 HG11 VAL 42 1HG1 VAL 42 -4.998 -3.868 0.479
348 HG12 VAL 42 2HG1 VAL 42 -3.813 -3.694 1.774
349 HG13 VAL 42 3HG1 VAL 42 -3.301 -3.580 0.091
350 HG21 VAL 42 3HG2 VAL 42 -6.382 -2.130 1.387
351 HG22 VAL 42 1HG2 VAL 42 -5.786 -0.482 1.581
352 HG23 VAL 42 2HG2 VAL 42 -5.298 -1.735 2.721
353 H LYS 43 H LYS 43 -1.639 -3.064 2.018
354 HA LYS 43 HA LYS 43 -2.371 -3.157 4.750
355 HB2 LYS 43 2HB LYS 43 -0.032 -4.351 3.267
356 HB3 LYS 43 1HB LYS 43 -0.296 -4.609 4.985
357 HG2 LYS 43 2HG LYS 43 -2.490 -5.607 4.468
358 HG3 LYS 43 1HG LYS 43 -2.148 -5.412 2.748
359 HD2 LYS 43 2HD LYS 43 -0.195 -6.865 2.962
360 HD3 LYS 43 1HD LYS 43 -0.496 -7.033 4.692
361 HE2 LYS 43 2HE LYS 43 -2.694 -8.047 4.156
362 HE3 LYS 43 1HE LYS 43 -2.280 -7.969 2.445
363 HZ1 LYS 43 3HZ LYS 43 -0.819 -9.510 4.527
364 HZ2 LYS 43 1HZ LYS 43 -0.366 -9.404 2.895
365 HZ3 LYS 43 2HZ LYS 43 -1.826 -10.157 3.330
366 H ALA 44 H ALA 44 0.156 -1.487 3.014
367 HA ALA 44 HA ALA 44 1.757 -0.735 5.193
368 HB1 ALA 44 3HB ALA 44 2.491 -0.475 2.884
369 HB2 ALA 44 1HB ALA 44 2.579 1.058 3.747
370 HB3 ALA 44 2HB ALA 44 1.258 0.755 2.618
371 H VAL 45 H VAL 45 -1.036 0.853 3.689
372 HA VAL 45 HA VAL 45 -1.063 3.099 5.420
373 HB VAL 45 HB VAL 45 -3.371 1.894 3.880
374 HG11 VAL 45 1HG1 VAL 45 -3.007 4.675 4.994
375 HG12 VAL 45 2HG1 VAL 45 -4.094 3.439 5.632
376 HG13 VAL 45 3HG1 VAL 45 -4.371 4.115 4.025
377 HG21 VAL 45 3HG2 VAL 45 -2.841 3.573 2.167
378 HG22 VAL 45 1HG2 VAL 45 -1.521 2.426 2.398
379 HG23 VAL 45 2HG2 VAL 45 -1.414 4.048 3.087
380 H ILE 46 H ILE 46 -2.815 0.019 5.438
381 HA ILE 46 HA ILE 46 -4.479 0.555 7.635
382 HB ILE 46 HB ILE 46 -3.479 -2.105 6.603
383 HG12 ILE 46 2HG1 ILE 46 -6.052 -0.598 6.085
384 HG13 ILE 46 1HG1 ILE 46 -4.708 -0.740 4.957
385 HG21 ILE 46 1HG2 ILE 46 -4.310 -2.335 8.883
386 HG22 ILE 46 2HG2 ILE 46 -5.415 -3.090 7.735
387 HG23 ILE 46 3HG2 ILE 46 -5.807 -1.517 8.431
388 HD11 ILE 46 3HD1 ILE 46 -6.374 -3.024 5.986
389 HD12 ILE 46 1HD1 ILE 46 -5.061 -3.136 4.813
390 HD13 ILE 46 2HD1 ILE 46 -6.536 -2.254 4.405
391 H HIS 47 H HIS 47 -1.146 -0.547 7.506
392 HA HIS 47 HA HIS 47 -1.174 -1.120 10.371
393 HD1 HIS 47 HD1 HIS 47 -1.015 -3.421 10.898
394 HD2 HIS 47 HD2 HIS 47 0.638 -3.872 7.109
395 HE1 HIS 47 HE1 HIS 47 -1.631 -5.739 10.164
396 HE2 HIS 47 HE2 HIS 47 -0.793 -5.911 7.798
397 HB2 HIS 47 2HB HIS 47 0.967 -1.469 8.277
398 HB3 HIS 47 1HB HIS 47 1.242 -1.750 9.994
399 H GLY 48 H GLY 48 -0.541 1.507 8.330
400 HA2 GLY 48 2HA GLY 48 -0.184 3.680 9.174
401 HA3 GLY 48 1HA GLY 48 0.503 2.978 10.627
402 H LEU 49 H LEU 49 1.778 1.511 7.882
403 HA LEU 49 HA LEU 49 4.393 2.495 8.282
404 HG LEU 49 HG LEU 49 5.368 2.235 5.365
405 HB2 LEU 49 2HB LEU 49 3.947 0.334 7.229
406 HB3 LEU 49 1HB LEU 49 3.162 1.134 5.881
407 HD11 LEU 49 1HD1 LEU 49 7.377 1.249 6.297
408 HD12 LEU 49 2HD1 LEU 49 6.404 0.206 7.336
409 HD13 LEU 49 3HD1 LEU 49 6.383 1.952 7.573
410 HD21 LEU 49 3HD2 LEU 49 5.276 -0.774 5.296
411 HD22 LEU 49 1HD2 LEU 49 6.303 0.253 4.298
412 HD23 LEU 49 2HD2 LEU 49 4.552 0.311 4.113
413 H ILE 50 H ILE 50 1.874 3.244 5.953
414 HA ILE 50 HA ILE 50 3.124 5.859 5.514
415 HB ILE 50 HB ILE 50 2.472 5.857 3.165
416 HG12 ILE 50 2HG1 ILE 50 1.715 2.950 3.514
417 HG13 ILE 50 1HG1 ILE 50 0.549 4.268 3.454
418 HG21 ILE 50 1HG2 ILE 50 4.086 4.202 2.299
419 HG22 ILE 50 2HG2 ILE 50 4.151 3.460 3.896
420 HG23 ILE 50 3HG2 ILE 50 4.721 5.113 3.671
421 HD11 ILE 50 3HD1 ILE 50 0.748 3.127 1.314
422 HD12 ILE 50 1HD1 ILE 50 2.464 3.525 1.256
423 HD13 ILE 50 2HD1 ILE 50 1.258 4.811 1.198
424 H THR 51 H THR 51 1.344 7.287 4.331
425 HA THR 51 HA THR 51 -1.181 6.744 5.712
426 HB THR 51 HB THR 51 -0.325 8.854 6.424
427 HG1 THR 51 HG1 THR 51 -2.439 9.185 6.196
428 HG21 THR 51 3HG2 THR 51 -0.046 9.597 3.517
429 HG22 THR 51 1HG2 THR 51 1.270 9.288 4.646
430 HG23 THR 51 2HG2 THR 51 0.216 10.683 4.879
431 H GLU 52 H GLU 52 -3.165 7.263 4.564
432 HA GLU 52 HA GLU 52 -3.337 5.996 2.085
433 HB2 GLU 52 2HB GLU 52 -5.161 6.480 3.813
434 HB3 GLU 52 1HB GLU 52 -5.286 8.069 3.077
435 HG2 GLU 52 2HG GLU 52 -5.863 7.032 0.939
436 HG3 GLU 52 1HG GLU 52 -5.746 5.437 1.689
437 H ARG 53 H ARG 53 -3.086 9.411 2.907
438 HA ARG 53 HA ARG 53 -3.436 10.443 0.292
439 HE ARG 53 HE ARG 53 -3.615 15.046 -0.231
440 HB2 ARG 53 2HB ARG 53 -3.308 11.535 2.773
441 HB3 ARG 53 1HB ARG 53 -1.704 11.934 2.180
442 HG2 ARG 53 2HG ARG 53 -4.267 12.631 0.756
443 HG3 ARG 53 1HG ARG 53 -3.385 13.720 1.830
444 HD2 ARG 53 2HD ARG 53 -1.434 13.574 0.357
445 HD3 ARG 53 1HD ARG 53 -2.330 12.502 -0.718
446 HH11 ARG 53 1HH1 ARG 53 -1.339 13.291 -2.222
447 HH12 ARG 53 2HH1 ARG 53 -1.478 14.369 -3.572
448 HH21 ARG 53 1HH2 ARG 53 -3.833 16.461 -2.032
449 HH22 ARG 53 2HH2 ARG 53 -2.913 16.154 -3.477
450 H GLU 54 H GLU 54 -0.758 9.085 2.008
451 HA GLU 54 HA GLU 54 1.368 10.006 0.375
452 HB2 GLU 54 2HB GLU 54 1.978 9.142 2.483
453 HB3 GLU 54 1HB GLU 54 0.985 7.710 2.281
454 HG2 GLU 54 2HG GLU 54 3.108 6.873 2.080
455 HG3 GLU 54 1HG GLU 54 2.647 7.113 0.397
456 H ALA 55 H ALA 55 -0.519 7.001 0.438
457 HA ALA 55 HA ALA 55 0.809 5.775 -1.734
458 HB1 ALA 55 3HB ALA 55 -1.055 4.191 -1.725
459 HB2 ALA 55 1HB ALA 55 -1.957 5.259 -0.650
460 HB3 ALA 55 2HB ALA 55 -0.464 4.501 -0.094
461 H LEU 56 H LEU 56 -2.229 7.584 -1.524
462 HA LEU 56 HA LEU 56 -3.063 7.246 -4.174
463 HG LEU 56 HG LEU 56 -4.307 7.458 -1.296
464 HB2 LEU 56 2HB LEU 56 -3.584 9.587 -2.339
465 HB3 LEU 56 1HB LEU 56 -4.510 9.178 -3.768
466 HD11 LEU 56 1HD1 LEU 56 -6.535 9.235 -2.270
467 HD12 LEU 56 2HD1 LEU 56 -5.526 9.507 -0.848
468 HD13 LEU 56 3HD1 LEU 56 -6.624 8.129 -0.900
469 HD21 LEU 56 3HD2 LEU 56 -4.683 6.169 -3.332
470 HD22 LEU 56 1HD2 LEU 56 -6.040 7.215 -3.751
471 HD23 LEU 56 2HD2 LEU 56 -6.127 6.190 -2.319
472 H ASP 57 H ASP 57 -0.839 9.560 -2.739
473 HA ASP 57 HA ASP 57 -0.844 11.262 -5.061
474 HB2 ASP 57 2HB ASP 57 -0.449 12.054 -2.698
475 HB3 ASP 57 1HB ASP 57 1.133 11.289 -2.783
476 H ARG 58 H ARG 58 1.438 8.973 -3.601
477 HA ARG 58 HA ARG 58 3.503 9.541 -5.478
478 HE ARG 58 HE ARG 58 5.285 5.203 -3.240
479 HB2 ARG 58 2HB ARG 58 4.710 7.678 -4.463
480 HB3 ARG 58 1HB ARG 58 4.008 8.715 -3.233
481 HG2 ARG 58 2HG ARG 58 2.113 7.073 -3.085
482 HG3 ARG 58 1HG ARG 58 3.071 5.998 -4.104
483 HD2 ARG 58 2HD ARG 58 3.972 7.145 -1.462
484 HD3 ARG 58 1HD ARG 58 3.307 5.527 -1.682
485 HH11 ARG 58 1HH1 ARG 58 5.356 7.422 -0.531
486 HH12 ARG 58 2HH1 ARG 58 7.060 7.210 -0.233
487 HH21 ARG 58 1HH2 ARG 58 7.531 4.924 -2.857
488 HH22 ARG 58 2HH2 ARG 58 8.294 5.789 -1.558
489 H TYR 59 H TYR 59 0.959 7.106 -5.355
490 HA TYR 59 HA TYR 59 2.112 5.787 -7.706
491 HD1 TYR 59 HD2 TYR 59 3.175 3.809 -7.018
492 HD2 TYR 59 HD1 TYR 59 0.320 4.205 -3.894
493 HE1 TYR 59 HE2 TYR 59 4.759 2.770 -5.449
494 HE2 TYR 59 HE1 TYR 59 1.897 3.173 -2.315
495 HH TYR 59 HH TYR 59 3.860 1.639 -2.414
496 HB2 TYR 59 2HB TYR 59 -0.237 4.960 -5.984
497 HB3 TYR 59 1HB TYR 59 0.445 4.022 -7.308
498 H SER 60 H SER 60 0.068 8.268 -7.081
499 HA SER 60 HA SER 60 -1.539 9.388 -8.206
500 HG SER 60 HG SER 60 -2.381 9.868 -10.260
501 HB2 SER 60 2HB SER 60 0.096 9.212 -10.072
502 HB3 SER 60 1HB SER 60 -0.673 7.711 -10.578
503 H LEU 61 H LEU 61 -2.964 8.198 -6.776
504 HA LEU 61 HA LEU 61 -4.798 6.458 -8.278
505 HG LEU 61 HG LEU 61 -2.270 5.165 -7.097
506 HB2 LEU 61 2HB LEU 61 -3.888 6.069 -5.425
507 HB3 LEU 61 1HB LEU 61 -5.153 5.146 -6.210
508 HD11 LEU 61 1HD1 LEU 61 -2.499 4.170 -4.881
509 HD12 LEU 61 2HD1 LEU 61 -2.135 2.946 -6.096
510 HD13 LEU 61 3HD1 LEU 61 -3.779 3.115 -5.483
511 HD21 LEU 61 3HD2 LEU 61 -4.593 3.407 -7.874
512 HD22 LEU 61 1HD2 LEU 61 -2.927 3.218 -8.420
513 HD23 LEU 61 2HD2 LEU 61 -3.849 4.647 -8.882
514 H SER 62 H SER 62 -6.975 6.491 -7.499
515 HA SER 62 HA SER 62 -7.657 8.973 -6.092
516 HG SER 62 HG SER 62 -7.955 9.339 -8.524
517 HB2 SER 62 2HB SER 62 -9.521 7.152 -7.625
518 HB3 SER 62 1HB SER 62 -9.817 8.816 -7.120
519 H GLU 63 H GLU 63 -9.426 8.869 -4.503
520 HA GLU 63 HA GLU 63 -8.981 6.915 -2.563
521 HB2 GLU 63 2HB GLU 63 -10.015 9.263 -2.342
522 HB3 GLU 63 1HB GLU 63 -11.535 8.483 -2.765
523 HG2 GLU 63 2HG GLU 63 -11.195 6.925 -0.875
524 HG3 GLU 63 1HG GLU 63 -9.773 7.861 -0.423
525 H GLU 64 H GLU 64 -11.477 7.189 -5.061
526 HA GLU 64 HA GLU 64 -13.059 5.011 -4.263
527 HB2 GLU 64 2HB GLU 64 -13.849 4.960 -6.610
528 HB3 GLU 64 1HB GLU 64 -13.856 6.579 -5.924
529 HG2 GLU 64 2HG GLU 64 -11.810 7.114 -7.112
530 HG3 GLU 64 1HG GLU 64 -11.732 5.473 -7.753
531 H GLU 65 H GLU 65 -10.139 5.164 -6.200
532 HA GLU 65 HA GLU 65 -10.080 2.460 -7.031
533 HB2 GLU 65 2HB GLU 65 -8.719 4.239 -8.072
534 HB3 GLU 65 1HB GLU 65 -7.804 4.409 -6.584
535 HG2 GLU 65 2HG GLU 65 -6.485 3.162 -8.100
536 HG3 GLU 65 1HG GLU 65 -7.055 2.047 -6.862
537 H PHE 66 H PHE 66 -8.411 4.187 -4.412
538 HA PHE 66 HA PHE 66 -7.206 1.952 -3.234
539 HD1 PHE 66 HD1 PHE 66 -4.798 2.852 -2.089
540 HD2 PHE 66 HD2 PHE 66 -8.145 3.652 0.409
541 HE1 PHE 66 HE1 PHE 66 -3.522 2.060 -0.143
542 HE2 PHE 66 HE2 PHE 66 -6.877 2.860 2.365
543 HZ PHE 66 HZ PHE 66 -4.565 2.069 2.090
544 HB2 PHE 66 2HB PHE 66 -6.641 4.359 -2.786
545 HB3 PHE 66 1HB PHE 66 -8.101 4.462 -1.806
546 H ALA 67 H ALA 67 -10.396 3.373 -2.819
547 HA ALA 67 HA ALA 67 -11.262 1.938 -0.588
548 HB1 ALA 67 3HB ALA 67 -13.528 2.371 -1.378
549 HB2 ALA 67 1HB ALA 67 -12.900 2.825 -2.961
550 HB3 ALA 67 2HB ALA 67 -12.518 3.805 -1.546
551 H LEU 68 H LEU 68 -11.373 1.100 -4.035
552 HA LEU 68 HA LEU 68 -12.622 -1.403 -3.763
553 HG LEU 68 HG LEU 68 -12.637 0.875 -5.905
554 HB2 LEU 68 2HB LEU 68 -10.598 -0.486 -5.811
555 HB3 LEU 68 1HB LEU 68 -11.561 -1.944 -5.941
556 HD11 LEU 68 1HD1 LEU 68 -12.387 -1.122 -8.149
557 HD12 LEU 68 2HD1 LEU 68 -11.447 0.357 -7.961
558 HD13 LEU 68 3HD1 LEU 68 -13.184 0.448 -8.251
559 HD21 LEU 68 3HD2 LEU 68 -14.780 -0.164 -6.469
560 HD22 LEU 68 1HD2 LEU 68 -14.197 -0.698 -4.895
561 HD23 LEU 68 2HD2 LEU 68 -14.051 -1.762 -6.294
562 H TRP 69 H TRP 69 -9.214 -0.451 -3.730
563 HA TRP 69 HA TRP 69 -8.085 -3.005 -3.516
564 HD1 TRP 69 HD1 TRP 69 -8.295 -1.101 -5.491
565 HE1 TRP 69 HE1 TRP 69 -6.800 -0.400 -7.458
566 HE3 TRP 69 HE3 TRP 69 -3.844 -0.674 -3.008
567 HZ2 TRP 69 HZ2 TRP 69 -4.088 0.231 -7.903
568 HZ3 TRP 69 HZ3 TRP 69 -1.847 -0.019 -4.285
569 HH2 TRP 69 HH2 TRP 69 -1.968 0.419 -6.679
570 HB2 TRP 69 2HB TRP 69 -7.086 -0.370 -2.411
571 HB3 TRP 69 1HB TRP 69 -6.131 -1.844 -2.465
572 H ARG 70 H ARG 70 -8.853 -0.711 -0.889
573 HA ARG 70 HA ARG 70 -8.102 -2.498 1.172
574 HE ARG 70 HE ARG 70 -10.239 1.273 3.769
575 HB2 ARG 70 2HB ARG 70 -9.298 -0.900 2.682
576 HB3 ARG 70 1HB ARG 70 -8.097 -0.152 1.638
577 HG2 ARG 70 2HG ARG 70 -10.031 0.385 0.077
578 HG3 ARG 70 1HG ARG 70 -11.081 -0.052 1.422
579 HD2 ARG 70 2HD ARG 70 -8.878 1.923 1.832
580 HD3 ARG 70 1HD ARG 70 -10.374 2.431 1.054
581 HH11 ARG 70 1HH1 ARG 70 -11.555 3.521 1.429
582 HH12 ARG 70 2HH1 ARG 70 -12.690 4.222 2.534
583 HH21 ARG 70 1HH2 ARG 70 -11.728 2.209 5.243
584 HH22 ARG 70 2HH2 ARG 70 -12.809 3.457 4.696
585 H SER 71 H SER 71 -11.158 -1.933 -0.464
586 HA SER 71 HA SER 71 -12.731 -3.458 1.361
587 HG SER 71 HG SER 71 -15.397 -2.950 0.142
588 HB2 SER 71 2HB SER 71 -13.699 -1.779 -0.196
589 HB3 SER 71 1HB SER 71 -13.279 -2.825 -1.552
590 H ALA 72 H ALA 72 -10.898 -4.183 -1.542
591 HA ALA 72 HA ALA 72 -11.894 -6.814 -1.911
592 HB1 ALA 72 3HB ALA 72 -10.029 -7.103 -3.450
593 HB2 ALA 72 1HB ALA 72 -9.284 -5.625 -2.843
594 HB3 ALA 72 2HB ALA 72 -10.818 -5.547 -3.710
595 H VAL 73 H VAL 73 -8.853 -5.585 -0.547
596 HA VAL 73 HA VAL 73 -7.825 -8.111 0.153
597 HB VAL 73 HB VAL 73 -7.164 -5.388 1.277
598 HG11 VAL 73 1HG1 VAL 73 -5.592 -7.961 1.446
599 HG12 VAL 73 2HG1 VAL 73 -6.420 -7.167 2.785
600 HG13 VAL 73 3HG1 VAL 73 -5.048 -6.379 2.005
601 HG21 VAL 73 3HG2 VAL 73 -5.259 -5.489 -0.279
602 HG22 VAL 73 1HG2 VAL 73 -6.812 -5.520 -1.116
603 HG23 VAL 73 2HG2 VAL 73 -5.887 -7.008 -0.922
604 H ALA 74 H ALA 74 -9.677 -5.729 2.030
605 HA ALA 74 HA ALA 74 -9.502 -7.043 4.513
606 HB1 ALA 74 3HB ALA 74 -11.385 -5.686 5.199
607 HB2 ALA 74 1HB ALA 74 -11.746 -5.294 3.517
608 HB3 ALA 74 2HB ALA 74 -10.253 -4.719 4.257
609 H ALA 75 H ALA 75 -11.965 -7.224 1.957
610 HA ALA 75 HA ALA 75 -13.580 -9.112 3.396
611 HB1 ALA 75 3HB ALA 75 -14.558 -7.497 1.829
612 HB2 ALA 75 1HB ALA 75 -14.962 -9.163 1.404
613 HB3 ALA 75 2HB ALA 75 -13.721 -8.297 0.498
614 H HIS 76 H HIS 76 -10.815 -9.352 1.441
615 HA HIS 76 HA HIS 76 -11.214 -11.988 0.448
616 HD1 HIS 76 HD1 HIS 76 -10.019 -12.697 -1.800
617 HD2 HIS 76 HD2 HIS 76 -6.715 -12.532 0.722
618 HE1 HIS 76 HE1 HIS 76 -8.475 -14.524 -2.578
619 HE2 HIS 76 HE2 HIS 76 -6.375 -14.212 -1.216
620 HB2 HIS 76 2HB HIS 76 -9.511 -10.332 -0.404
621 HB3 HIS 76 1HB HIS 76 -8.582 -10.624 1.059
622 H GLY 77 H GLY 77 -11.724 -13.534 1.871
623 HA2 GLY 77 2HA GLY 77 -11.514 -14.970 3.667
624 HA3 GLY 77 1HA GLY 77 -9.970 -14.211 4.041
625 H GLU 78 H GLU 78 -13.304 -12.997 3.823
626 HA GLU 78 HA GLU 78 -12.855 -11.350 6.160
627 HB2 GLU 78 2HB GLU 78 -15.071 -10.424 5.694
628 HB3 GLU 78 1HB GLU 78 -14.062 -10.413 4.254
629 HG2 GLU 78 2HG GLU 78 -15.239 -12.223 3.298
630 HG3 GLU 78 1HG GLU 78 -16.059 -12.584 4.816
631 H LYS 79 H LYS 79 -14.048 -14.448 5.555
632 HA LYS 79 HA LYS 79 -15.955 -14.461 7.730
633 HB2 LYS 79 2HB LYS 79 -14.922 -16.748 6.042
634 HB3 LYS 79 1HB LYS 79 -16.293 -16.817 7.145
635 HG2 LYS 79 2HG LYS 79 -17.468 -15.154 5.787
636 HG3 LYS 79 1HG LYS 79 -16.096 -15.091 4.682
637 HD2 LYS 79 2HD LYS 79 -17.692 -16.503 3.663
638 HD3 LYS 79 1HD LYS 79 -16.444 -17.565 4.307
639 HE2 LYS 79 2HE LYS 79 -18.930 -16.942 5.866
640 HE3 LYS 79 1HE LYS 79 -18.905 -18.220 4.654
641 HZ1 LYS 79 3HZ LYS 79 -17.008 -19.204 5.898
642 HZ2 LYS 79 1HZ LYS 79 -18.464 -19.181 6.767
643 HZ3 LYS 79 2HZ LYS 79 -17.253 -18.053 7.118
644 H ALA 80 H ALA 80 -12.625 -14.930 7.332
645 HA ALA 80 HA ALA 80 -12.362 -16.514 9.763
646 HB1 ALA 80 3HB ALA 80 -9.976 -16.588 9.231
647 HB2 ALA 80 1HB ALA 80 -10.240 -15.499 7.871
648 HB3 ALA 80 2HB ALA 80 -10.946 -17.114 7.857
649 H LEU 81 H LEU 81 -13.196 -14.889 11.177
650 HA LEU 81 HA LEU 81 -11.704 -12.419 11.423
651 HG LEU 81 HG LEU 81 -13.805 -11.363 10.909
652 HB2 LEU 81 2HB LEU 81 -14.043 -13.505 12.986
653 HB3 LEU 81 1HB LEU 81 -13.243 -11.997 13.375
654 HD11 LEU 81 1HD1 LEU 81 -15.855 -13.504 11.444
655 HD12 LEU 81 2HD1 LEU 81 -14.589 -13.560 10.220
656 HD13 LEU 81 3HD1 LEU 81 -15.879 -12.364 10.100
657 HD21 LEU 81 3HD2 LEU 81 -14.696 -10.240 12.870
658 HD22 LEU 81 1HD2 LEU 81 -15.913 -11.503 13.056
659 HD23 LEU 81 2HD2 LEU 81 -15.947 -10.447 11.644
660 H LYS 82 H LYS 82 -9.708 -13.612 11.837
661 HA LYS 82 HA LYS 82 -9.271 -14.832 14.377
662 HB2 LYS 82 2HB LYS 82 -7.794 -15.208 12.425
663 HB3 LYS 82 1HB LYS 82 -7.309 -13.520 12.473
664 HG2 LYS 82 2HG LYS 82 -6.310 -13.880 14.683
665 HG3 LYS 82 1HG LYS 82 -6.779 -15.580 14.605
666 HD2 LYS 82 2HD LYS 82 -5.392 -15.873 12.615
667 HD3 LYS 82 1HD LYS 82 -4.928 -14.170 12.685
668 HE2 LYS 82 2HE LYS 82 -3.926 -14.552 14.894
669 HE3 LYS 82 1HE LYS 82 -4.365 -16.257 14.791
670 HZ1 LYS 82 3HZ LYS 82 -2.090 -16.004 14.173
671 HZ2 LYS 82 1HZ LYS 82 -2.457 -14.793 13.046
672 HZ3 LYS 82 2HZ LYS 82 -2.965 -16.392 12.772
673 H VAL 83 H VAL 83 -8.023 -13.868 16.142
674 HA VAL 83 HA VAL 83 -9.047 -11.390 16.959
675 HB VAL 83 HB VAL 83 -8.230 -13.195 18.469
676 HG11 VAL 83 1HG1 VAL 83 -6.152 -13.765 17.393
677 HG12 VAL 83 2HG1 VAL 83 -5.835 -13.246 19.050
678 HG13 VAL 83 3HG1 VAL 83 -5.510 -12.152 17.706
679 HG21 VAL 83 3HG2 VAL 83 -7.070 -10.457 18.956
680 HG22 VAL 83 1HG2 VAL 83 -7.311 -11.701 20.185
681 HG23 VAL 83 2HG2 VAL 83 -8.702 -10.994 19.362
682 H THR 84 H THR 84 -6.495 -12.039 14.830
683 HA THR 84 HA THR 84 -5.445 -9.307 15.155
684 HB THR 84 HB THR 84 -4.065 -11.466 13.577
685 HG1 THR 84 HG1 THR 84 -3.949 -11.021 16.399
686 HG21 THR 84 3HG2 THR 84 -2.055 -10.205 14.182
687 HG22 THR 84 1HG2 THR 84 -3.028 -9.098 15.149
688 HG23 THR 84 2HG2 THR 84 -3.232 -9.152 13.397
689 H MET 85 H MET 85 -7.845 -10.498 13.606
690 HA MET 85 HA MET 85 -7.121 -9.452 10.947
691 HB2 MET 85 2HB MET 85 -8.996 -11.632 11.782
692 HB3 MET 85 1HB MET 85 -9.268 -10.772 10.273
693 HG2 MET 85 2HG MET 85 -6.737 -12.230 11.009
694 HG3 MET 85 1HG MET 85 -8.019 -12.866 9.978
695 HE1 MET 85 3HE MET 85 -6.249 -13.362 8.053
696 HE2 MET 85 1HE MET 85 -4.969 -12.746 9.096
697 HE3 MET 85 2HE MET 85 -5.117 -12.156 7.441
698 H ILE 86 H ILE 86 -8.775 -8.602 13.694
699 HA ILE 86 HA ILE 86 -11.140 -7.516 12.496
700 HB ILE 86 HB ILE 86 -9.869 -6.852 15.161
701 HG12 ILE 86 2HG1 ILE 86 -12.096 -8.133 15.845
702 HG13 ILE 86 1HG1 ILE 86 -11.869 -8.875 14.267
703 HG21 ILE 86 1HG2 ILE 86 -12.027 -5.852 15.748
704 HG22 ILE 86 2HG2 ILE 86 -12.597 -6.132 14.104
705 HG23 ILE 86 3HG2 ILE 86 -11.263 -5.016 14.396
706 HD11 ILE 86 3HD1 ILE 86 -10.901 -10.238 16.005
707 HD12 ILE 86 1HD1 ILE 86 -9.895 -8.889 16.531
708 HD13 ILE 86 2HD1 ILE 86 -9.642 -9.610 14.943
709 H GLN 87 H GLN 87 -7.885 -6.451 12.976
710 HA GLN 87 HA GLN 87 -8.148 -3.693 12.800
711 HB2 GLN 87 2HB GLN 87 -6.052 -4.929 13.319
712 HB3 GLN 87 1HB GLN 87 -5.920 -5.348 11.617
713 HG2 GLN 87 2HG GLN 87 -5.706 -3.017 11.021
714 HG3 GLN 87 1HG GLN 87 -5.941 -2.543 12.702
715 HE21 GLN 87 1HE2 GLN 87 -4.307 -2.934 14.199
716 HE22 GLN 87 2HE2 GLN 87 -2.670 -3.245 13.707
717 H LYS 88 H LYS 88 -8.052 -6.088 10.176
718 HA LYS 88 HA LYS 88 -7.982 -4.112 8.117
719 HB2 LYS 88 2HB LYS 88 -8.388 -5.911 6.547
720 HB3 LYS 88 1HB LYS 88 -7.180 -6.408 7.721
721 HG2 LYS 88 2HG LYS 88 -8.740 -7.806 8.847
722 HG3 LYS 88 1HG LYS 88 -10.084 -7.157 7.905
723 HD2 LYS 88 2HD LYS 88 -9.139 -8.107 5.871
724 HD3 LYS 88 1HD LYS 88 -7.760 -8.725 6.784
725 HE2 LYS 88 2HE LYS 88 -9.139 -10.234 7.998
726 HE3 LYS 88 1HE LYS 88 -10.611 -9.475 7.392
727 HZ1 LYS 88 3HZ LYS 88 -10.179 -11.543 6.249
728 HZ2 LYS 88 1HZ LYS 88 -8.652 -10.996 5.764
729 HZ3 LYS 88 2HZ LYS 88 -10.045 -10.242 5.172
730 H TYR 89 H TYR 89 -10.403 -5.172 10.196
731 HA TYR 89 HA TYR 89 -12.543 -4.239 8.415
732 HD1 TYR 89 HD2 TYR 89 -13.163 -6.223 7.569
733 HD2 TYR 89 HD1 TYR 89 -12.642 -7.694 11.529
734 HE1 TYR 89 HE2 TYR 89 -12.932 -8.507 6.690
735 HE2 TYR 89 HE1 TYR 89 -12.406 -9.977 10.658
736 HH TYR 89 HH TYR 89 -13.151 -11.233 8.550
737 HB2 TYR 89 2HB TYR 89 -12.788 -5.415 11.197
738 HB3 TYR 89 1HB TYR 89 -14.101 -5.106 10.065
739 H ARG 90 H ARG 90 -10.414 -3.115 10.744
740 HA ARG 90 HA ARG 90 -12.174 -1.117 11.884
741 HE ARG 90 HE ARG 90 -10.903 -0.699 15.428
742 HB2 ARG 90 2HB ARG 90 -9.167 -1.383 12.093
743 HB3 ARG 90 1HB ARG 90 -10.178 -0.316 13.057
744 HG2 ARG 90 2HG ARG 90 -10.251 -3.326 13.081
745 HG3 ARG 90 1HG ARG 90 -9.543 -2.288 14.320
746 HD2 ARG 90 2HD ARG 90 -12.440 -2.175 13.512
747 HD3 ARG 90 1HD ARG 90 -11.843 -3.186 14.826
748 HH11 ARG 90 1HH1 ARG 90 -14.084 -1.931 14.616
749 HH12 ARG 90 2HH1 ARG 90 -14.920 -0.884 15.731
750 HH21 ARG 90 1HH2 ARG 90 -11.981 0.672 16.900
751 HH22 ARG 90 2HH2 ARG 90 -13.718 0.599 17.033
752 H GLN 91 H GLN 91 -9.741 -1.379 9.388
753 HA GLN 91 HA GLN 91 -9.504 1.419 8.887
754 HB2 GLN 91 2HB GLN 91 -8.371 0.752 6.797
755 HB3 GLN 91 1HB GLN 91 -7.727 -0.089 8.199
756 HG2 GLN 91 2HG GLN 91 -7.853 -1.761 6.620
757 HG3 GLN 91 1HG GLN 91 -9.347 -1.983 7.524
758 HE21 GLN 91 1HE2 GLN 91 -10.365 -3.022 5.847
759 HE22 GLN 91 2HE2 GLN 91 -10.874 -2.204 4.409
760 H LEU 92 H LEU 92 -11.934 -0.767 8.362
761 HA LEU 92 HA LEU 92 -13.035 0.006 5.917
762 HG LEU 92 HG LEU 92 -15.618 -0.485 5.859
763 HB2 LEU 92 2HB LEU 92 -13.743 -1.995 7.023
764 HB3 LEU 92 1HB LEU 92 -14.262 -1.101 8.436
765 HD11 LEU 92 1HD1 LEU 92 -15.518 -2.924 5.837
766 HD12 LEU 92 2HD1 LEU 92 -17.156 -2.368 6.179
767 HD13 LEU 92 3HD1 LEU 92 -16.138 -2.974 7.487
768 HD21 LEU 92 3HD2 LEU 92 -16.538 -0.801 8.712
769 HD22 LEU 92 1HD2 LEU 92 -17.530 -0.242 7.364
770 HD23 LEU 92 2HD2 LEU 92 -16.156 0.722 7.913
771 H HIS 93 H HIS 93 -13.242 1.457 9.123
772 HA HIS 93 HA HIS 93 -14.978 3.549 8.023
773 HD1 HIS 93 HD1 HIS 93 -14.586 1.076 11.816
774 HD2 HIS 93 HD2 HIS 93 -12.848 4.857 11.689
775 HE1 HIS 93 HE1 HIS 93 -12.941 1.142 13.723
776 HE2 HIS 93 HE2 HIS 93 -11.804 3.385 13.537
777 HB2 HIS 93 2HB HIS 93 -15.350 4.303 10.310
778 HB3 HIS 93 1HB HIS 93 -15.705 2.591 10.172
779 H HIS 94 H HIS 94 -12.150 3.130 7.405
780 HA HIS 94 HA HIS 94 -10.473 4.475 6.697
781 HD1 HIS 94 HD1 HIS 94 -12.759 7.045 4.925
782 HD2 HIS 94 HD2 HIS 94 -8.761 6.955 6.049
783 HE1 HIS 94 HE1 HIS 94 -11.477 7.885 2.933
784 HE2 HIS 94 HE2 HIS 94 -9.054 7.564 3.546
785 HB2 HIS 94 2HB HIS 94 -12.490 6.356 7.257
786 HB3 HIS 94 1HB HIS 94 -11.034 6.969 8.032
787 H HIS 95 H HIS 95 -11.180 6.002 9.835
788 HA HIS 95 HA HIS 95 -8.650 4.919 10.850
789 HD1 HIS 95 HD1 HIS 95 -8.440 8.862 13.021
790 HD2 HIS 95 HD2 HIS 95 -6.080 5.785 11.517
791 HE1 HIS 95 HE1 HIS 95 -6.389 8.798 14.482
792 HE2 HIS 95 HE2 HIS 95 -4.887 7.086 13.406
793 HB2 HIS 95 2HB HIS 95 -8.229 7.186 9.904
794 HB3 HIS 95 1HB HIS 95 -9.434 7.843 11.005
Start of MODEL 14
1 HA MET 1 HA MET 1 12.080 7.631 11.458
2 H1 MET 1 1H MET 1 10.645 7.703 9.568
3 H2 MET 1 2H MET 1 12.252 7.643 9.034
4 H3 MET 1 3H MET 1 11.394 9.106 8.981
5 HB2 MET 1 2HB MET 1 13.316 10.112 10.238
6 HB3 MET 1 1HB MET 1 13.649 9.529 11.863
7 HG2 MET 1 2HG MET 1 14.268 8.126 9.276
8 HG3 MET 1 1HG MET 1 15.421 8.871 10.384
9 HE1 MET 1 3HE MET 1 15.742 5.916 9.303
10 HE2 MET 1 1HE MET 1 16.187 5.050 10.772
11 HE3 MET 1 2HE MET 1 16.870 6.642 10.448
12 H TYR 2 H TYR 2 11.764 9.020 13.385
13 HA TYR 2 HA TYR 2 9.267 10.495 13.104
14 HD1 TYR 2 HD2 TYR 2 10.510 7.221 14.508
15 HD2 TYR 2 HD1 TYR 2 7.181 9.693 15.463
16 HE1 TYR 2 HE2 TYR 2 9.035 5.250 14.445
17 HE2 TYR 2 HE1 TYR 2 5.697 7.733 15.399
18 HH TYR 2 HH TYR 2 6.873 4.538 15.360
19 HB2 TYR 2 2HB TYR 2 10.783 9.508 15.514
20 HB3 TYR 2 1HB TYR 2 9.380 10.559 15.646
21 H LEU 3 H LEU 3 11.856 11.165 15.403
22 HA LEU 3 HA LEU 3 12.996 13.027 15.963
23 HG LEU 3 HG LEU 3 15.086 13.195 14.678
24 HB2 LEU 3 2HB LEU 3 12.569 13.561 13.049
25 HB3 LEU 3 1HB LEU 3 13.270 14.801 14.068
26 HD11 LEU 3 1HD1 LEU 3 15.414 11.235 13.228
27 HD12 LEU 3 2HD1 LEU 3 13.816 11.508 12.531
28 HD13 LEU 3 3HD1 LEU 3 13.975 11.100 14.239
29 HD21 LEU 3 3HD2 LEU 3 14.753 13.785 11.742
30 HD22 LEU 3 1HD2 LEU 3 16.270 13.394 12.554
31 HD23 LEU 3 2HD2 LEU 3 15.413 14.881 12.955
32 H LYS 4 H LYS 4 10.894 14.727 13.693
33 HA LYS 4 HA LYS 4 9.589 16.027 15.993
34 HB2 LYS 4 2HB LYS 4 11.454 17.343 14.727
35 HB3 LYS 4 1HB LYS 4 10.243 17.521 13.464
36 HG2 LYS 4 2HG LYS 4 10.207 19.475 14.825
37 HG3 LYS 4 1HG LYS 4 8.735 18.556 15.149
38 HD2 LYS 4 2HD LYS 4 9.757 17.632 17.169
39 HD3 LYS 4 1HD LYS 4 11.233 18.539 16.841
40 HE2 LYS 4 2HE LYS 4 9.906 19.690 18.507
41 HE3 LYS 4 1HE LYS 4 9.964 20.637 17.021
42 HZ1 LYS 4 3HZ LYS 4 7.769 19.813 16.447
43 HZ2 LYS 4 1HZ LYS 4 7.738 20.573 17.960
44 HZ3 LYS 4 2HZ LYS 4 7.722 18.880 17.861
45 H ARG 5 H ARG 5 9.123 14.042 13.538
46 HA ARG 5 HA ARG 5 6.437 15.054 12.917
47 HE ARG 5 HE ARG 5 6.401 12.187 8.318
48 HB2 ARG 5 2HB ARG 5 7.612 15.618 10.957
49 HB3 ARG 5 1HB ARG 5 8.593 14.163 11.020
50 HG2 ARG 5 2HG ARG 5 6.656 12.820 10.388
51 HG3 ARG 5 1HG ARG 5 5.660 14.278 10.337
52 HD2 ARG 5 2HD ARG 5 6.566 14.995 8.383
53 HD3 ARG 5 1HD ARG 5 8.152 14.313 8.742
54 HH11 ARG 5 1HH1 ARG 5 7.674 14.872 6.458
55 HH12 ARG 5 2HH1 ARG 5 7.730 13.973 4.973
56 HH21 ARG 5 1HH2 ARG 5 6.497 10.999 6.362
57 HH22 ARG 5 2HH2 ARG 5 7.071 11.793 4.916
58 H VAL 6 H VAL 6 4.890 13.573 13.228
59 HA VAL 6 HA VAL 6 5.602 10.878 13.977
60 HB VAL 6 HB VAL 6 2.819 11.954 13.472
61 HG11 VAL 6 1HG1 VAL 6 2.126 10.169 15.003
62 HG12 VAL 6 2HG1 VAL 6 3.801 9.632 15.134
63 HG13 VAL 6 3HG1 VAL 6 2.957 9.524 13.589
64 HG21 VAL 6 3HG2 VAL 6 3.917 13.381 15.101
65 HG22 VAL 6 1HG2 VAL 6 4.414 11.971 16.038
66 HG23 VAL 6 2HG2 VAL 6 2.704 12.378 15.896
67 H ASP 7 H ASP 7 6.677 10.387 11.995
68 HA ASP 7 HA ASP 7 5.103 10.224 9.568
69 HB2 ASP 7 2HB ASP 7 7.388 11.080 9.473
70 HB3 ASP 7 1HB ASP 7 8.001 9.574 10.140
71 H GLY 8 H GLY 8 6.221 8.148 12.093
72 HA2 GLY 8 2HA GLY 8 5.094 6.061 12.467
73 HA3 GLY 8 1HA GLY 8 4.917 5.893 10.726
74 HA PRO 9 HA PRO 9 8.695 3.540 12.126
75 HB2 PRO 9 2HB PRO 9 7.420 1.090 11.305
76 HB3 PRO 9 1HB PRO 9 7.939 1.563 12.922
77 HG2 PRO 9 2HG PRO 9 5.317 1.260 12.173
78 HG3 PRO 9 1HG PRO 9 5.857 2.292 13.508
79 HD2 PRO 9 2HD PRO 9 5.092 3.046 10.715
80 HD3 PRO 9 1HD PRO 9 4.762 3.890 12.244
81 H ARG 10 H ARG 10 10.181 2.386 10.782
82 HA ARG 10 HA ARG 10 9.991 3.007 7.990
83 HE ARG 10 HE ARG 10 13.587 1.775 11.338
84 HB2 ARG 10 2HB ARG 10 11.996 1.230 9.393
85 HB3 ARG 10 1HB ARG 10 12.175 1.966 7.807
86 HG2 ARG 10 2HG ARG 10 12.325 4.153 8.774
87 HG3 ARG 10 1HG ARG 10 11.941 3.516 10.376
88 HD2 ARG 10 2HD ARG 10 14.393 2.902 8.731
89 HD3 ARG 10 1HD ARG 10 14.325 3.886 10.194
90 HH11 ARG 10 1HH1 ARG 10 15.582 1.695 8.455
91 HH12 ARG 10 2HH1 ARG 10 16.251 0.129 8.820
92 HH21 ARG 10 1HH2 ARG 10 14.425 -0.283 11.790
93 HH22 ARG 10 2HH2 ARG 10 15.576 -1.011 10.705
94 H GLN 11 H GLN 11 9.186 0.364 10.002
95 HA GLN 11 HA GLN 11 8.247 -1.175 7.747
96 HB2 GLN 11 2HB GLN 11 9.341 -3.252 8.541
97 HB3 GLN 11 1HB GLN 11 10.489 -2.046 7.982
98 HG2 GLN 11 2HG GLN 11 10.936 -1.415 10.316
99 HG3 GLN 11 1HG GLN 11 9.820 -2.672 10.850
100 HE21 GLN 11 1HE2 GLN 11 11.381 -3.782 11.979
101 HE22 GLN 11 2HE2 GLN 11 12.636 -4.675 11.188
102 H VAL 12 H VAL 12 6.469 -2.333 8.201
103 HA VAL 12 HA VAL 12 5.576 -2.378 11.007
104 HB VAL 12 HB VAL 12 3.240 -2.332 10.113
105 HG11 VAL 12 1HG1 VAL 12 4.260 -0.312 10.985
106 HG12 VAL 12 2HG1 VAL 12 3.251 0.078 9.592
107 HG13 VAL 12 3HG1 VAL 12 5.004 0.012 9.420
108 HG21 VAL 12 3HG2 VAL 12 2.872 -1.574 7.814
109 HG22 VAL 12 1HG2 VAL 12 3.706 -3.131 7.847
110 HG23 VAL 12 2HG2 VAL 12 4.606 -1.652 7.509
111 H THR 13 H THR 13 4.416 -4.210 11.694
112 HA THR 13 HA THR 13 5.244 -6.630 10.337
113 HB THR 13 HB THR 13 3.684 -6.346 12.912
114 HG1 THR 13 HG1 THR 13 5.791 -5.307 12.945
115 HG21 THR 13 3HG2 THR 13 3.557 -8.581 11.941
116 HG22 THR 13 1HG2 THR 13 4.571 -8.597 13.384
117 HG23 THR 13 2HG2 THR 13 5.313 -8.629 11.785
118 H LEU 14 H LEU 14 3.965 -7.983 9.214
119 HA LEU 14 HA LEU 14 1.198 -7.306 8.705
120 HG LEU 14 HG LEU 14 2.479 -8.847 5.549
121 HB2 LEU 14 2HB LEU 14 2.886 -9.677 7.881
122 HB3 LEU 14 1HB LEU 14 1.207 -9.490 7.429
123 HD11 LEU 14 1HD1 LEU 14 0.610 -7.348 6.042
124 HD12 LEU 14 2HD1 LEU 14 1.929 -6.516 5.214
125 HD13 LEU 14 3HD1 LEU 14 1.700 -6.301 6.951
126 HD21 LEU 14 3HD2 LEU 14 4.608 -8.565 6.764
127 HD22 LEU 14 1HD2 LEU 14 4.057 -6.977 7.288
128 HD23 LEU 14 2HD2 LEU 14 4.300 -7.306 5.572
129 HA PRO 15 HA PRO 15 -0.767 -9.764 11.833
130 HB2 PRO 15 2HB PRO 15 -2.606 -11.217 10.367
131 HB3 PRO 15 1HB PRO 15 -2.840 -9.549 10.902
132 HG2 PRO 15 2HG PRO 15 -1.965 -10.588 8.242
133 HG3 PRO 15 1HG PRO 15 -3.053 -9.238 8.620
134 HD2 PRO 15 2HD PRO 15 -0.505 -8.836 7.867
135 HD3 PRO 15 1HD PRO 15 -1.300 -7.786 9.055
136 H ASP 16 H ASP 16 0.605 -11.266 9.062
137 HA ASP 16 HA ASP 16 0.526 -13.963 10.027
138 HB2 ASP 16 2HB ASP 16 0.568 -13.651 7.668
139 HB3 ASP 16 1HB ASP 16 1.954 -12.573 7.762
140 H GLY 17 H GLY 17 2.546 -11.241 10.540
141 HA2 GLY 17 2HA GLY 17 4.237 -11.268 12.249
142 HA3 GLY 17 1HA GLY 17 4.548 -12.954 11.853
143 H THR 18 H THR 18 4.110 -11.555 8.978
144 HA THR 18 HA THR 18 6.885 -11.517 8.319
145 HB THR 18 HB THR 18 5.356 -10.310 6.256
146 HG1 THR 18 HG1 THR 18 4.088 -12.718 7.022
147 HG21 THR 18 3HG2 THR 18 5.809 -12.421 5.090
148 HG22 THR 18 1HG2 THR 18 6.284 -13.162 6.617
149 HG23 THR 18 2HG2 THR 18 7.240 -11.842 5.944
150 H VAL 19 H VAL 19 7.824 -9.614 7.079
151 HA VAL 19 HA VAL 19 7.191 -7.146 8.554
152 HB VAL 19 HB VAL 19 9.765 -7.919 7.169
153 HG11 VAL 19 1HG1 VAL 19 10.707 -5.948 8.270
154 HG12 VAL 19 2HG1 VAL 19 9.113 -5.545 8.910
155 HG13 VAL 19 3HG1 VAL 19 9.401 -5.513 7.170
156 HG21 VAL 19 3HG2 VAL 19 10.689 -8.118 9.428
157 HG22 VAL 19 1HG2 VAL 19 9.379 -9.266 9.157
158 HG23 VAL 19 2HG2 VAL 19 9.091 -7.808 10.106
159 H LEU 20 H LEU 20 6.483 -5.426 7.513
160 HA LEU 20 HA LEU 20 6.809 -5.274 4.584
161 HG LEU 20 HG LEU 20 4.939 -2.709 4.407
162 HB2 LEU 20 2HB LEU 20 4.468 -5.582 5.196
163 HB3 LEU 20 1HB LEU 20 4.558 -4.246 6.320
164 HD11 LEU 20 1HD1 LEU 20 4.339 -5.146 2.735
165 HD12 LEU 20 2HD1 LEU 20 5.898 -4.328 2.844
166 HD13 LEU 20 3HD1 LEU 20 4.511 -3.493 2.146
167 HD21 LEU 20 3HD2 LEU 20 2.446 -4.398 4.253
168 HD22 LEU 20 1HD2 LEU 20 2.634 -2.772 3.597
169 HD23 LEU 20 2HD2 LEU 20 2.713 -3.037 5.340
170 H SER 21 H SER 21 8.597 -4.002 4.449
171 HA SER 21 HA SER 21 8.706 -1.588 6.096
172 HG SER 21 HG SER 21 10.404 -3.631 3.714
173 HB2 SER 21 2HB SER 21 11.023 -1.391 5.366
174 HB3 SER 21 1HB SER 21 10.729 -3.021 5.968
175 H ARG 22 H ARG 22 9.681 0.358 4.863
176 HA ARG 22 HA ARG 22 7.827 1.031 2.805
177 HE ARG 22 HE ARG 22 6.754 4.300 6.182
178 HB2 ARG 22 2HB ARG 22 10.186 2.471 4.001
179 HB3 ARG 22 1HB ARG 22 9.198 3.165 2.720
180 HG2 ARG 22 2HG ARG 22 7.255 3.127 4.095
181 HG3 ARG 22 1HG ARG 22 8.088 2.193 5.337
182 HD2 ARG 22 2HD ARG 22 9.436 4.020 5.948
183 HD3 ARG 22 1HD ARG 22 8.995 4.929 4.499
184 HH11 ARG 22 1HH1 ARG 22 9.374 6.546 5.669
185 HH12 ARG 22 2HH1 ARG 22 8.563 7.870 6.453
186 HH21 ARG 22 1HH2 ARG 22 5.652 6.037 7.149
187 HH22 ARG 22 2HH2 ARG 22 6.422 7.598 7.243
188 H ALA 23 H ALA 23 10.815 -0.537 2.814
189 HA ALA 23 HA ALA 23 11.457 0.091 0.058
190 HB1 ALA 23 3HB ALA 23 13.274 -1.524 0.328
191 HB2 ALA 23 1HB ALA 23 12.651 -1.961 1.917
192 HB3 ALA 23 2HB ALA 23 13.274 -0.336 1.632
193 H ASP 24 H ASP 24 9.305 -1.900 1.664
194 HA ASP 24 HA ASP 24 9.278 -4.009 -0.324
195 HB2 ASP 24 2HB ASP 24 7.593 -3.465 2.117
196 HB3 ASP 24 1HB ASP 24 7.172 -4.724 0.962
197 H LEU 25 H LEU 25 7.892 -0.938 0.143
198 HA LEU 25 HA LEU 25 5.476 -1.121 -1.238
199 HG LEU 25 HG LEU 25 6.124 0.483 1.078
200 HB2 LEU 25 2HB LEU 25 7.468 1.118 -0.963
201 HB3 LEU 25 1HB LEU 25 5.951 1.316 -1.819
202 HD11 LEU 25 1HD1 LEU 25 5.493 2.798 1.586
203 HD12 LEU 25 2HD1 LEU 25 5.671 3.216 -0.118
204 HD13 LEU 25 3HD1 LEU 25 7.076 2.706 0.817
205 HD21 LEU 25 3HD2 LEU 25 4.063 -0.138 -0.109
206 HD22 LEU 25 1HD2 LEU 25 3.842 1.547 -0.582
207 HD23 LEU 25 2HD2 LEU 25 3.774 1.091 1.120
208 HA PRO 26 HA PRO 26 6.700 -2.060 -5.400
209 HB2 PRO 26 2HB PRO 26 4.481 -1.032 -6.651
210 HB3 PRO 26 1HB PRO 26 4.523 -2.611 -5.858
211 HG2 PRO 26 2HG PRO 26 3.498 0.005 -4.824
212 HG3 PRO 26 1HG PRO 26 2.786 -1.615 -4.684
213 HD2 PRO 26 2HD PRO 26 4.117 -0.489 -2.646
214 HD3 PRO 26 1HD PRO 26 4.218 -2.234 -2.969
215 HA PRO 27 HA PRO 27 8.503 1.651 -6.991
216 HB2 PRO 27 2HB PRO 27 8.729 1.035 -9.618
217 HB3 PRO 27 1HB PRO 27 9.735 0.281 -8.377
218 HG2 PRO 27 2HG PRO 27 7.234 -0.761 -9.673
219 HG3 PRO 27 1HG PRO 27 8.774 -1.602 -9.383
220 HD2 PRO 27 2HD PRO 27 6.655 -1.932 -7.759
221 HD3 PRO 27 1HD PRO 27 8.318 -1.919 -7.132
222 H LEU 28 H LEU 28 8.092 3.512 -8.250
223 HA LEU 28 HA LEU 28 5.313 4.114 -8.643
224 HG LEU 28 HG LEU 28 7.948 5.330 -7.107
225 HB2 LEU 28 2HB LEU 28 7.704 5.743 -9.502
226 HB3 LEU 28 1HB LEU 28 6.070 6.322 -9.251
227 HD11 LEU 28 1HD1 LEU 28 7.932 7.649 -6.355
228 HD12 LEU 28 2HD1 LEU 28 6.909 8.092 -7.722
229 HD13 LEU 28 3HD1 LEU 28 8.553 7.517 -8.000
230 HD21 LEU 28 3HD2 LEU 28 6.226 6.068 -5.535
231 HD22 LEU 28 1HD2 LEU 28 5.637 4.772 -6.576
232 HD23 LEU 28 2HD2 LEU 28 5.151 6.438 -6.885
233 H ASP 29 H ASP 29 7.765 2.764 -10.523
234 HA ASP 29 HA ASP 29 6.870 3.560 -13.117
235 HB2 ASP 29 2HB ASP 29 8.552 1.164 -12.327
236 HB3 ASP 29 1HB ASP 29 8.388 1.829 -13.949
237 H THR 30 H THR 30 5.475 1.679 -10.824
238 HA THR 30 HA THR 30 4.526 -0.491 -12.436
239 HB THR 30 HB THR 30 3.592 0.477 -9.728
240 HG1 THR 30 HG1 THR 30 5.520 -0.278 -9.266
241 HG21 THR 30 3HG2 THR 30 3.099 -2.138 -11.157
242 HG22 THR 30 1HG2 THR 30 1.900 -0.884 -10.842
243 HG23 THR 30 2HG2 THR 30 2.624 -1.771 -9.498
244 H ARG 31 H ARG 31 3.203 -0.070 -14.050
245 HA ARG 31 HA ARG 31 0.822 1.561 -13.486
246 HE ARG 31 HE ARG 31 -2.365 2.346 -16.421
247 HB2 ARG 31 2HB ARG 31 2.055 2.196 -15.528
248 HB3 ARG 31 1HB ARG 31 1.883 0.555 -16.141
249 HG2 ARG 31 2HG ARG 31 0.266 2.012 -17.184
250 HG3 ARG 31 1HG ARG 31 -0.553 0.833 -16.156
251 HD2 ARG 31 2HD ARG 31 -0.557 2.603 -14.350
252 HD3 ARG 31 1HD ARG 31 -0.035 3.746 -15.589
253 HH11 ARG 31 1HH1 ARG 31 -1.276 4.912 -14.295
254 HH12 ARG 31 2HH1 ARG 31 -2.809 5.726 -14.265
255 HH21 ARG 31 1HH2 ARG 31 -4.388 3.421 -16.412
256 HH22 ARG 31 2HH2 ARG 31 -4.586 4.880 -15.476
257 H ARG 32 H ARG 32 1.998 -1.556 -14.594
258 HA ARG 32 HA ARG 32 -0.608 -2.736 -14.720
259 HE ARG 32 HE ARG 32 -0.220 -7.745 -15.146
260 HB2 ARG 32 2HB ARG 32 1.237 -3.648 -16.055
261 HB3 ARG 32 1HB ARG 32 2.120 -4.037 -14.584
262 HG2 ARG 32 2HG ARG 32 0.307 -5.578 -13.939
263 HG3 ARG 32 1HG ARG 32 -0.496 -5.231 -15.472
264 HD2 ARG 32 2HD ARG 32 1.338 -6.161 -16.707
265 HD3 ARG 32 1HD ARG 32 2.290 -6.351 -15.232
266 HH11 ARG 32 1HH1 ARG 32 3.093 -7.944 -16.290
267 HH12 ARG 32 2HH1 ARG 32 3.152 -9.683 -16.171
268 HH21 ARG 32 1HH2 ARG 32 -0.146 -10.007 -15.016
269 HH22 ARG 32 2HH2 ARG 32 1.295 -10.858 -15.489
270 H TRP 33 H TRP 33 -1.471 -2.134 -12.721
271 HA TRP 33 HA TRP 33 -0.268 -2.959 -10.272
272 HD1 TRP 33 HD1 TRP 33 -2.189 0.594 -11.567
273 HE1 TRP 33 HE1 TRP 33 -0.733 2.369 -10.393
274 HE3 TRP 33 HE3 TRP 33 -0.428 -2.247 -7.701
275 HZ2 TRP 33 HZ2 TRP 33 0.935 2.525 -8.117
276 HZ3 TRP 33 HZ3 TRP 33 1.095 -1.212 -6.074
277 HH2 TRP 33 HH2 TRP 33 1.763 1.125 -6.280
278 HB2 TRP 33 2HB TRP 33 -2.945 -1.820 -11.003
279 HB3 TRP 33 1HB TRP 33 -2.610 -2.377 -9.364
280 H VAL 34 H VAL 34 -0.008 -5.018 -9.855
281 HA VAL 34 HA VAL 34 -2.239 -6.866 -10.249
282 HB VAL 34 HB VAL 34 -0.625 -8.650 -9.686
283 HG11 VAL 34 1HG1 VAL 34 -0.941 -8.014 -12.016
284 HG12 VAL 34 2HG1 VAL 34 0.729 -8.497 -11.719
285 HG13 VAL 34 3HG1 VAL 34 0.316 -6.789 -11.865
286 HG21 VAL 34 3HG2 VAL 34 1.385 -6.399 -9.563
287 HG22 VAL 34 1HG2 VAL 34 1.771 -8.120 -9.541
288 HG23 VAL 34 2HG2 VAL 34 0.857 -7.405 -8.214
289 H ALA 35 H ALA 35 -2.657 -8.408 -8.429
290 HA ALA 35 HA ALA 35 -3.542 -6.978 -6.207
291 HB1 ALA 35 3HB ALA 35 -4.523 -9.095 -6.965
292 HB2 ALA 35 1HB ALA 35 -4.139 -9.121 -5.244
293 HB3 ALA 35 2HB ALA 35 -3.090 -9.951 -6.393
294 H SER 36 H SER 36 -0.596 -8.869 -6.648
295 HA SER 36 HA SER 36 0.309 -9.028 -4.031
296 HG SER 36 HG SER 36 1.025 -11.004 -5.570
297 HB2 SER 36 2HB SER 36 2.083 -8.505 -6.424
298 HB3 SER 36 1HB SER 36 2.490 -9.391 -4.956
299 H ARG 37 H ARG 37 0.759 -6.425 -6.386
300 HA ARG 37 HA ARG 37 2.375 -4.855 -4.609
301 HE ARG 37 HE ARG 37 5.294 -5.391 -8.512
302 HB2 ARG 37 2HB ARG 37 1.103 -4.166 -7.264
303 HB3 ARG 37 1HB ARG 37 2.263 -3.158 -6.408
304 HG2 ARG 37 2HG ARG 37 3.937 -4.927 -6.587
305 HG3 ARG 37 1HG ARG 37 2.778 -5.935 -7.449
306 HD2 ARG 37 2HD ARG 37 2.688 -4.342 -9.264
307 HD3 ARG 37 1HD ARG 37 3.746 -3.240 -8.385
308 HH11 ARG 37 1HH1 ARG 37 3.286 -3.967 -11.003
309 HH12 ARG 37 2HH1 ARG 37 4.347 -4.419 -12.302
310 HH21 ARG 37 1HH2 ARG 37 6.701 -5.980 -10.223
311 HH22 ARG 37 2HH2 ARG 37 6.291 -5.554 -11.859
312 H LYS 38 H LYS 38 -0.986 -4.946 -5.595
313 HA LYS 38 HA LYS 38 -1.789 -2.489 -4.465
314 HB2 LYS 38 2HB LYS 38 -3.343 -5.027 -4.974
315 HB3 LYS 38 1HB LYS 38 -4.079 -3.522 -4.444
316 HG2 LYS 38 2HG LYS 38 -3.215 -2.425 -6.483
317 HG3 LYS 38 1HG LYS 38 -2.610 -3.990 -7.028
318 HD2 LYS 38 2HD LYS 38 -4.851 -4.887 -7.072
319 HD3 LYS 38 1HD LYS 38 -5.497 -3.397 -6.386
320 HE2 LYS 38 2HE LYS 38 -4.757 -2.169 -8.374
321 HE3 LYS 38 1HE LYS 38 -4.127 -3.667 -9.060
322 HZ1 LYS 38 3HZ LYS 38 -6.383 -2.936 -9.848
323 HZ2 LYS 38 1HZ LYS 38 -6.975 -3.334 -8.307
324 HZ3 LYS 38 2HZ LYS 38 -6.283 -4.533 -9.289
325 H ALA 39 H ALA 39 -1.777 -5.784 -3.182
326 HA ALA 39 HA ALA 39 -2.921 -5.251 -0.697
327 HB1 ALA 39 3HB ALA 39 -1.963 -7.358 0.031
328 HB2 ALA 39 1HB ALA 39 -0.869 -7.358 -1.353
329 HB3 ALA 39 2HB ALA 39 -2.608 -7.512 -1.604
330 H ALA 40 H ALA 40 0.487 -5.226 -1.684
331 HA ALA 40 HA ALA 40 1.608 -4.752 0.837
332 HB1 ALA 40 3HB ALA 40 2.916 -5.427 -1.121
333 HB2 ALA 40 1HB ALA 40 3.583 -3.982 -0.364
334 HB3 ALA 40 2HB ALA 40 2.643 -3.845 -1.850
335 H VAL 41 H VAL 41 0.351 -2.500 -1.587
336 HA VAL 41 HA VAL 41 1.205 -0.122 -0.307
337 HB VAL 41 HB VAL 41 -1.092 -0.567 -2.221
338 HG11 VAL 41 1HG1 VAL 41 -1.049 1.839 -2.600
339 HG12 VAL 41 2HG1 VAL 41 0.202 2.022 -1.371
340 HG13 VAL 41 3HG1 VAL 41 -1.412 1.479 -0.912
341 HG21 VAL 41 3HG2 VAL 41 0.455 0.389 -3.880
342 HG22 VAL 41 1HG2 VAL 41 1.053 -1.120 -3.190
343 HG23 VAL 41 2HG2 VAL 41 1.721 0.419 -2.652
344 H VAL 42 H VAL 42 -1.931 -1.809 -0.307
345 HA VAL 42 HA VAL 42 -3.173 0.113 1.368
346 HB VAL 42 HB VAL 42 -4.451 -1.330 -0.165
347 HG11 VAL 42 1HG1 VAL 42 -4.975 -3.630 0.428
348 HG12 VAL 42 2HG1 VAL 42 -3.869 -3.537 1.800
349 HG13 VAL 42 3HG1 VAL 42 -3.245 -3.422 0.154
350 HG21 VAL 42 3HG2 VAL 42 -6.319 -1.773 1.353
351 HG22 VAL 42 1HG2 VAL 42 -5.577 -0.205 1.666
352 HG23 VAL 42 2HG2 VAL 42 -5.239 -1.568 2.732
353 H LYS 43 H LYS 43 -1.600 -3.001 2.024
354 HA LYS 43 HA LYS 43 -2.325 -3.138 4.760
355 HB2 LYS 43 2HB LYS 43 0.008 -4.337 3.263
356 HB3 LYS 43 1HB LYS 43 -0.335 -4.680 4.953
357 HG2 LYS 43 2HG LYS 43 -2.472 -5.654 4.352
358 HG3 LYS 43 1HG LYS 43 -2.207 -5.237 2.657
359 HD2 LYS 43 2HD LYS 43 -0.234 -6.697 2.612
360 HD3 LYS 43 1HD LYS 43 -0.514 -7.121 4.301
361 HE2 LYS 43 2HE LYS 43 -2.686 -8.087 3.693
362 HE3 LYS 43 1HE LYS 43 -2.402 -7.659 2.006
363 HZ1 LYS 43 3HZ LYS 43 -0.685 -9.503 3.590
364 HZ2 LYS 43 1HZ LYS 43 -0.533 -9.157 1.938
365 HZ3 LYS 43 2HZ LYS 43 -1.890 -10.003 2.512
366 H ALA 44 H ALA 44 0.181 -1.453 3.032
367 HA ALA 44 HA ALA 44 1.805 -0.759 5.236
368 HB1 ALA 44 3HB ALA 44 1.399 0.755 2.654
369 HB2 ALA 44 1HB ALA 44 2.547 -0.560 2.898
370 HB3 ALA 44 2HB ALA 44 2.741 0.953 3.780
371 H VAL 45 H VAL 45 -0.867 0.936 3.617
372 HA VAL 45 HA VAL 45 -0.865 3.203 5.308
373 HB VAL 45 HB VAL 45 -3.192 2.035 3.766
374 HG11 VAL 45 1HG1 VAL 45 -3.920 3.641 5.431
375 HG12 VAL 45 2HG1 VAL 45 -4.080 4.328 3.814
376 HG13 VAL 45 3HG1 VAL 45 -2.737 4.813 4.851
377 HG21 VAL 45 3HG2 VAL 45 -1.287 2.463 2.309
378 HG22 VAL 45 1HG2 VAL 45 -1.163 4.106 2.934
379 HG23 VAL 45 2HG2 VAL 45 -2.579 3.624 2.002
380 H ILE 46 H ILE 46 -2.648 0.154 5.390
381 HA ILE 46 HA ILE 46 -4.312 0.738 7.561
382 HB ILE 46 HB ILE 46 -3.272 -1.896 6.528
383 HG12 ILE 46 2HG1 ILE 46 -5.963 -0.530 6.305
384 HG13 ILE 46 1HG1 ILE 46 -4.745 -0.592 5.039
385 HG21 ILE 46 1HG2 ILE 46 -5.375 -1.421 8.638
386 HG22 ILE 46 2HG2 ILE 46 -3.818 -2.218 8.864
387 HG23 ILE 46 3HG2 ILE 46 -5.053 -2.969 7.854
388 HD11 ILE 46 3HD1 ILE 46 -6.506 -2.198 4.628
389 HD12 ILE 46 1HD1 ILE 46 -6.213 -2.948 6.198
390 HD13 ILE 46 2HD1 ILE 46 -4.978 -3.024 4.942
391 H HIS 47 H HIS 47 -1.109 -0.835 7.512
392 HA HIS 47 HA HIS 47 -1.119 -1.185 10.368
393 HD1 HIS 47 HD1 HIS 47 -1.177 -3.390 10.836
394 HD2 HIS 47 HD2 HIS 47 0.881 -4.096 7.291
395 HE1 HIS 47 HE1 HIS 47 -1.692 -5.772 10.214
396 HE2 HIS 47 HE2 HIS 47 -0.277 -6.224 8.181
397 HB2 HIS 47 2HB HIS 47 1.018 -1.604 8.289
398 HB3 HIS 47 1HB HIS 47 1.300 -1.850 10.005
399 H GLY 48 H GLY 48 -0.630 1.509 8.498
400 HA2 GLY 48 2HA GLY 48 -0.120 3.636 9.298
401 HA3 GLY 48 1HA GLY 48 0.466 2.906 10.785
402 H LEU 49 H LEU 49 1.628 1.697 7.784
403 HA LEU 49 HA LEU 49 4.332 2.474 8.374
404 HG LEU 49 HG LEU 49 5.415 2.162 5.506
405 HB2 LEU 49 2HB LEU 49 3.780 0.339 7.270
406 HB3 LEU 49 1HB LEU 49 3.129 1.218 5.902
407 HD11 LEU 49 1HD1 LEU 49 6.284 1.872 7.764
408 HD12 LEU 49 2HD1 LEU 49 7.310 1.074 6.574
409 HD13 LEU 49 3HD1 LEU 49 6.211 0.121 7.573
410 HD21 LEU 49 3HD2 LEU 49 5.162 -0.845 5.460
411 HD22 LEU 49 1HD2 LEU 49 6.300 0.113 4.509
412 HD23 LEU 49 2HD2 LEU 49 4.566 0.266 4.225
413 H ILE 50 H ILE 50 1.929 3.260 5.923
414 HA ILE 50 HA ILE 50 3.180 5.898 5.604
415 HB ILE 50 HB ILE 50 2.667 5.927 3.218
416 HG12 ILE 50 2HG1 ILE 50 1.960 2.999 3.408
417 HG13 ILE 50 1HG1 ILE 50 0.746 4.275 3.454
418 HG21 ILE 50 1HG2 ILE 50 4.881 5.164 3.871
419 HG22 ILE 50 2HG2 ILE 50 4.340 4.328 2.413
420 HG23 ILE 50 3HG2 ILE 50 4.297 3.503 3.972
421 HD11 ILE 50 3HD1 ILE 50 1.408 5.021 1.249
422 HD12 ILE 50 1HD1 ILE 50 0.988 3.309 1.226
423 HD13 ILE 50 2HD1 ILE 50 2.682 3.799 1.200
424 H THR 51 H THR 51 1.529 7.402 4.464
425 HA THR 51 HA THR 51 -1.069 6.920 5.719
426 HB THR 51 HB THR 51 -0.121 9.027 6.333
427 HG1 THR 51 HG1 THR 51 -2.018 9.905 6.135
428 HG21 THR 51 3HG2 THR 51 0.066 9.659 3.396
429 HG22 THR 51 1HG2 THR 51 1.421 9.346 4.478
430 HG23 THR 51 2HG2 THR 51 0.414 10.775 4.712
431 H GLU 52 H GLU 52 -3.023 7.483 4.529
432 HA GLU 52 HA GLU 52 -3.228 5.974 2.183
433 HB2 GLU 52 2HB GLU 52 -5.070 6.521 3.813
434 HB3 GLU 52 1HB GLU 52 -5.144 8.125 3.100
435 HG2 GLU 52 2HG GLU 52 -5.698 7.106 0.927
436 HG3 GLU 52 1HG GLU 52 -5.691 5.518 1.695
437 H ARG 53 H ARG 53 -3.172 9.481 2.670
438 HA ARG 53 HA ARG 53 -3.460 10.202 -0.036
439 HE ARG 53 HE ARG 53 -2.978 12.740 -0.963
440 HB2 ARG 53 2HB ARG 53 -2.441 11.610 2.400
441 HB3 ARG 53 1HB ARG 53 -2.255 12.360 0.821
442 HG2 ARG 53 2HG ARG 53 -4.940 11.326 1.406
443 HG3 ARG 53 1HG ARG 53 -4.411 12.672 2.415
444 HD2 ARG 53 2HD ARG 53 -5.657 13.168 0.203
445 HD3 ARG 53 1HD ARG 53 -4.234 14.120 0.619
446 HH11 ARG 53 1HH1 ARG 53 -6.477 12.601 -1.193
447 HH12 ARG 53 2HH1 ARG 53 -6.465 12.254 -2.901
448 HH21 ARG 53 1HH2 ARG 53 -2.962 12.270 -3.164
449 HH22 ARG 53 2HH2 ARG 53 -4.462 12.023 -4.021
450 H GLU 54 H GLU 54 -0.662 9.310 1.859
451 HA GLU 54 HA GLU 54 1.361 10.107 0.085
452 HB2 GLU 54 2HB GLU 54 1.884 9.332 2.336
453 HB3 GLU 54 1HB GLU 54 1.242 7.739 1.972
454 HG2 GLU 54 2HG GLU 54 3.647 7.690 1.963
455 HG3 GLU 54 1HG GLU 54 3.033 7.402 0.337
456 H ALA 55 H ALA 55 -0.461 7.086 0.361
457 HA ALA 55 HA ALA 55 0.775 5.797 -1.840
458 HB1 ALA 55 3HB ALA 55 -1.929 5.313 -0.593
459 HB2 ALA 55 1HB ALA 55 -0.408 4.551 -0.120
460 HB3 ALA 55 2HB ALA 55 -1.104 4.223 -1.708
461 H LEU 56 H LEU 56 -2.263 7.603 -1.530
462 HA LEU 56 HA LEU 56 -3.205 7.260 -4.140
463 HG LEU 56 HG LEU 56 -4.347 7.536 -1.268
464 HB2 LEU 56 2HB LEU 56 -3.577 9.651 -2.337
465 HB3 LEU 56 1HB LEU 56 -4.558 9.261 -3.736
466 HD11 LEU 56 1HD1 LEU 56 -5.414 9.679 -0.776
467 HD12 LEU 56 2HD1 LEU 56 -6.568 8.346 -0.707
468 HD13 LEU 56 3HD1 LEU 56 -6.542 9.422 -2.105
469 HD21 LEU 56 3HD2 LEU 56 -6.264 6.365 -2.197
470 HD22 LEU 56 1HD2 LEU 56 -4.901 6.307 -3.313
471 HD23 LEU 56 2HD2 LEU 56 -6.239 7.416 -3.613
472 H ASP 57 H ASP 57 -1.104 9.783 -2.800
473 HA ASP 57 HA ASP 57 -0.947 11.284 -5.197
474 HB2 ASP 57 2HB ASP 57 0.597 11.257 -2.638
475 HB3 ASP 57 1HB ASP 57 1.236 12.150 -4.014
476 H ARG 58 H ARG 58 1.375 8.978 -3.729
477 HA ARG 58 HA ARG 58 3.240 9.411 -5.850
478 HE ARG 58 HE ARG 58 4.471 7.738 -1.498
479 HB2 ARG 58 2HB ARG 58 4.649 7.785 -4.795
480 HB3 ARG 58 1HB ARG 58 3.935 8.791 -3.546
481 HG2 ARG 58 2HG ARG 58 2.471 7.077 -2.863
482 HG3 ARG 58 1HG ARG 58 2.827 6.109 -4.295
483 HD2 ARG 58 2HD ARG 58 3.967 5.234 -2.318
484 HD3 ARG 58 1HD ARG 58 5.114 5.788 -3.532
485 HH11 ARG 58 1HH1 ARG 58 6.609 5.118 -2.457
486 HH12 ARG 58 2HH1 ARG 58 7.888 5.613 -1.384
487 HH21 ARG 58 1HH2 ARG 58 6.175 8.393 -0.123
488 HH22 ARG 58 2HH2 ARG 58 7.660 7.489 -0.097
489 H TYR 59 H TYR 59 0.556 7.257 -5.490
490 HA TYR 59 HA TYR 59 1.609 5.624 -7.706
491 HD1 TYR 59 HD2 TYR 59 2.701 3.677 -7.105
492 HD2 TYR 59 HD1 TYR 59 0.294 4.261 -3.646
493 HE1 TYR 59 HE2 TYR 59 4.458 2.659 -5.717
494 HE2 TYR 59 HE1 TYR 59 2.047 3.252 -2.249
495 HH TYR 59 HH TYR 59 3.937 1.726 -2.483
496 HB2 TYR 59 2HB TYR 59 -0.523 4.945 -5.678
497 HB3 TYR 59 1HB TYR 59 -0.055 3.915 -7.026
498 H SER 60 H SER 60 -0.297 8.205 -7.312
499 HA SER 60 HA SER 60 -1.853 9.244 -8.608
500 HG SER 60 HG SER 60 -2.891 9.192 -10.696
501 HB2 SER 60 2HB SER 60 -0.282 8.421 -10.424
502 HB3 SER 60 1HB SER 60 -1.366 7.047 -10.637
503 H LEU 61 H LEU 61 -2.755 7.441 -6.676
504 HA LEU 61 HA LEU 61 -4.932 5.937 -7.932
505 HG LEU 61 HG LEU 61 -2.286 4.972 -6.417
506 HB2 LEU 61 2HB LEU 61 -4.063 5.984 -5.042
507 HB3 LEU 61 1HB LEU 61 -5.229 4.890 -5.759
508 HD11 LEU 61 1HD1 LEU 61 -2.693 4.148 -4.171
509 HD12 LEU 61 2HD1 LEU 61 -2.201 2.830 -5.235
510 HD13 LEU 61 3HD1 LEU 61 -3.897 3.017 -4.788
511 HD21 LEU 61 3HD2 LEU 61 -4.448 3.057 -7.288
512 HD22 LEU 61 1HD2 LEU 61 -2.729 2.915 -7.651
513 HD23 LEU 61 2HD2 LEU 61 -3.660 4.261 -8.309
514 H SER 62 H SER 62 -7.061 6.329 -7.480
515 HA SER 62 HA SER 62 -7.664 8.887 -6.193
516 HG SER 62 HG SER 62 -7.906 9.457 -8.507
517 HB2 SER 62 2HB SER 62 -9.425 7.122 -7.922
518 HB3 SER 62 1HB SER 62 -9.820 8.742 -7.343
519 H GLU 63 H GLU 63 -9.702 8.940 -4.922
520 HA GLU 63 HA GLU 63 -9.513 7.370 -2.668
521 HB2 GLU 63 2HB GLU 63 -10.704 9.585 -3.016
522 HB3 GLU 63 1HB GLU 63 -12.051 8.658 -3.661
523 HG2 GLU 63 2HG GLU 63 -12.191 7.450 -1.531
524 HG3 GLU 63 1HG GLU 63 -10.903 8.478 -0.904
525 H GLU 64 H GLU 64 -11.802 7.056 -5.376
526 HA GLU 64 HA GLU 64 -13.178 4.826 -4.311
527 HB2 GLU 64 2HB GLU 64 -14.136 4.585 -6.566
528 HB3 GLU 64 1HB GLU 64 -14.191 6.248 -6.001
529 HG2 GLU 64 2HG GLU 64 -12.258 6.791 -7.377
530 HG3 GLU 64 1HG GLU 64 -12.173 5.118 -7.927
531 H GLU 65 H GLU 65 -10.237 5.111 -6.119
532 HA GLU 65 HA GLU 65 -10.026 2.406 -6.977
533 HB2 GLU 65 2HB GLU 65 -8.706 4.227 -7.981
534 HB3 GLU 65 1HB GLU 65 -7.879 4.479 -6.453
535 HG2 GLU 65 2HG GLU 65 -6.362 3.276 -7.726
536 HG3 GLU 65 1HG GLU 65 -7.094 2.062 -6.684
537 H PHE 66 H PHE 66 -8.503 4.206 -4.306
538 HA PHE 66 HA PHE 66 -7.276 1.976 -3.099
539 HD1 PHE 66 HD2 PHE 66 -4.863 2.882 -1.990
540 HD2 PHE 66 HD1 PHE 66 -8.189 3.737 0.525
541 HE1 PHE 66 HE2 PHE 66 -3.583 2.102 -0.039
542 HE2 PHE 66 HE1 PHE 66 -6.914 2.961 2.480
543 HZ PHE 66 HZ PHE 66 -4.610 2.141 2.199
544 HB2 PHE 66 2HB PHE 66 -6.709 4.395 -2.690
545 HB3 PHE 66 1HB PHE 66 -8.162 4.508 -1.704
546 H ALA 67 H ALA 67 -10.479 3.359 -2.794
547 HA ALA 67 HA ALA 67 -11.386 1.994 -0.530
548 HB1 ALA 67 3HB ALA 67 -12.633 3.805 -1.643
549 HB2 ALA 67 1HB ALA 67 -13.627 2.371 -1.382
550 HB3 ALA 67 2HB ALA 67 -12.983 2.717 -2.987
551 H LEU 68 H LEU 68 -11.292 1.015 -3.936
552 HA LEU 68 HA LEU 68 -12.534 -1.501 -3.596
553 HG LEU 68 HG LEU 68 -12.799 0.591 -5.761
554 HB2 LEU 68 2HB LEU 68 -10.574 -0.506 -5.666
555 HB3 LEU 68 1HB LEU 68 -11.365 -2.067 -5.754
556 HD11 LEU 68 1HD1 LEU 68 -12.212 -1.323 -8.016
557 HD12 LEU 68 2HD1 LEU 68 -11.490 0.269 -7.793
558 HD13 LEU 68 3HD1 LEU 68 -13.216 0.122 -8.124
559 HD21 LEU 68 3HD2 LEU 68 -14.754 -0.730 -6.370
560 HD22 LEU 68 1HD2 LEU 68 -14.113 -1.244 -4.810
561 HD23 LEU 68 2HD2 LEU 68 -13.803 -2.210 -6.252
562 H TRP 69 H TRP 69 -9.139 -0.492 -3.653
563 HA TRP 69 HA TRP 69 -7.932 -2.982 -3.450
564 HD1 TRP 69 HD1 TRP 69 -8.251 -0.973 -5.362
565 HE1 TRP 69 HE1 TRP 69 -6.796 -0.243 -7.348
566 HE3 TRP 69 HE3 TRP 69 -3.741 -0.662 -2.976
567 HZ2 TRP 69 HZ2 TRP 69 -4.084 0.365 -7.840
568 HZ3 TRP 69 HZ3 TRP 69 -1.764 0.005 -4.283
569 HH2 TRP 69 HH2 TRP 69 -1.936 0.504 -6.662
570 HB2 TRP 69 2HB TRP 69 -7.025 -0.332 -2.314
571 HB3 TRP 69 1HB TRP 69 -6.011 -1.768 -2.385
572 H ARG 70 H ARG 70 -8.812 -0.802 -0.748
573 HA ARG 70 HA ARG 70 -7.889 -2.630 1.216
574 HE ARG 70 HE ARG 70 -10.015 0.259 4.211
575 HB2 ARG 70 2HB ARG 70 -8.849 -1.152 2.858
576 HB3 ARG 70 1HB ARG 70 -8.052 -0.203 1.616
577 HG2 ARG 70 2HG ARG 70 -10.302 0.163 0.581
578 HG3 ARG 70 1HG ARG 70 -11.006 -0.596 2.009
579 HD2 ARG 70 2HD ARG 70 -9.310 1.896 1.931
580 HD3 ARG 70 1HD ARG 70 -11.035 1.806 2.279
581 HH11 ARG 70 1HH1 ARG 70 -9.120 3.449 3.086
582 HH12 ARG 70 2HH1 ARG 70 -8.498 3.964 4.620
583 HH21 ARG 70 1HH2 ARG 70 -9.177 0.930 6.256
584 HH22 ARG 70 2HH2 ARG 70 -8.502 2.531 6.414
585 H SER 71 H SER 71 -10.916 -2.312 -0.453
586 HA SER 71 HA SER 71 -12.431 -3.872 1.406
587 HG SER 71 HG SER 71 -13.119 -1.361 -0.441
588 HB2 SER 71 2HB SER 71 -12.955 -3.252 -1.511
589 HB3 SER 71 1HB SER 71 -14.112 -4.000 -0.412
590 H ALA 72 H ALA 72 -10.539 -4.544 -1.484
591 HA ALA 72 HA ALA 72 -11.411 -7.271 -1.689
592 HB1 ALA 72 3HB ALA 72 -10.715 -6.015 -3.664
593 HB2 ALA 72 1HB ALA 72 -9.728 -7.461 -3.449
594 HB3 ALA 72 2HB ALA 72 -9.084 -5.878 -3.009
595 H VAL 73 H VAL 73 -9.018 -5.641 0.141
596 HA VAL 73 HA VAL 73 -7.516 -8.119 0.572
597 HB VAL 73 HB VAL 73 -6.840 -5.291 1.395
598 HG11 VAL 73 1HG1 VAL 73 -5.915 -6.882 2.982
599 HG12 VAL 73 2HG1 VAL 73 -4.632 -6.197 1.984
600 HG13 VAL 73 3HG1 VAL 73 -5.223 -7.827 1.661
601 HG21 VAL 73 3HG2 VAL 73 -5.725 -7.072 -0.768
602 HG22 VAL 73 1HG2 VAL 73 -5.061 -5.505 -0.300
603 HG23 VAL 73 2HG2 VAL 73 -6.679 -5.606 -0.995
604 H ALA 74 H ALA 74 -9.025 -5.513 2.500
605 HA ALA 74 HA ALA 74 -8.570 -6.940 4.942
606 HB1 ALA 74 3HB ALA 74 -10.286 -4.517 4.430
607 HB2 ALA 74 1HB ALA 74 -8.583 -4.502 4.894
608 HB3 ALA 74 2HB ALA 74 -9.798 -5.127 6.011
609 H ALA 75 H ALA 75 -11.370 -6.367 2.851
610 HA ALA 75 HA ALA 75 -13.057 -7.957 4.620
611 HB1 ALA 75 3HB ALA 75 -14.888 -7.315 3.160
612 HB2 ALA 75 1HB ALA 75 -13.757 -6.567 2.033
613 HB3 ALA 75 2HB ALA 75 -13.966 -5.894 3.651
614 H HIS 76 H HIS 76 -10.756 -8.928 2.843
615 HA HIS 76 HA HIS 76 -11.928 -10.641 0.888
616 HD1 HIS 76 HD1 HIS 76 -10.178 -10.708 -1.430
617 HD2 HIS 76 HD2 HIS 76 -8.777 -13.564 1.253
618 HE1 HIS 76 HE1 HIS 76 -9.566 -12.712 -2.826
619 HE2 HIS 76 HE2 HIS 76 -8.535 -14.345 -1.206
620 HB2 HIS 76 2HB HIS 76 -9.509 -9.810 0.976
621 HB3 HIS 76 1HB HIS 76 -9.239 -11.034 2.211
622 H GLY 77 H GLY 77 -11.252 -10.867 4.284
623 HA2 GLY 77 2HA GLY 77 -12.150 -13.672 4.314
624 HA3 GLY 77 1HA GLY 77 -11.300 -12.864 5.629
625 H GLU 78 H GLU 78 -14.331 -13.084 3.893
626 HA GLU 78 HA GLU 78 -15.666 -11.446 5.932
627 HB2 GLU 78 2HB GLU 78 -17.503 -11.304 4.286
628 HB3 GLU 78 1HB GLU 78 -15.978 -10.733 3.620
629 HG2 GLU 78 2HG GLU 78 -15.665 -12.832 2.454
630 HG3 GLU 78 1HG GLU 78 -17.144 -13.472 3.168
631 H LYS 79 H LYS 79 -15.388 -14.657 4.732
632 HA LYS 79 HA LYS 79 -18.006 -15.548 5.401
633 HB2 LYS 79 2HB LYS 79 -15.488 -17.126 4.849
634 HB3 LYS 79 1HB LYS 79 -17.105 -17.811 4.963
635 HG2 LYS 79 2HG LYS 79 -16.178 -15.795 2.923
636 HG3 LYS 79 1HG LYS 79 -16.425 -17.521 2.643
637 HD2 LYS 79 2HD LYS 79 -18.556 -15.538 3.459
638 HD3 LYS 79 1HD LYS 79 -18.328 -16.200 1.840
639 HE2 LYS 79 2HE LYS 79 -18.819 -18.428 2.641
640 HE3 LYS 79 1HE LYS 79 -18.930 -17.839 4.299
641 HZ1 LYS 79 3HZ LYS 79 -21.116 -18.121 3.370
642 HZ2 LYS 79 1HZ LYS 79 -20.739 -17.122 2.052
643 HZ3 LYS 79 2HZ LYS 79 -20.825 -16.468 3.615
644 H ALA 80 H ALA 80 -14.864 -15.764 7.004
645 HA ALA 80 HA ALA 80 -16.280 -16.732 9.406
646 HB1 ALA 80 3HB ALA 80 -14.260 -17.920 10.044
647 HB2 ALA 80 1HB ALA 80 -13.437 -17.338 8.598
648 HB3 ALA 80 2HB ALA 80 -14.803 -18.444 8.451
649 H LEU 81 H LEU 81 -16.240 -15.392 11.071
650 HA LEU 81 HA LEU 81 -14.526 -13.062 11.003
651 HG LEU 81 HG LEU 81 -16.431 -11.534 11.060
652 HB2 LEU 81 2HB LEU 81 -16.728 -13.944 12.855
653 HB3 LEU 81 1HB LEU 81 -15.694 -12.584 13.248
654 HD11 LEU 81 1HD1 LEU 81 -17.260 -13.530 9.948
655 HD12 LEU 81 2HD1 LEU 81 -18.554 -12.342 10.125
656 HD13 LEU 81 3HD1 LEU 81 -18.487 -13.741 11.200
657 HD21 LEU 81 3HD2 LEU 81 -17.294 -10.851 13.249
658 HD22 LEU 81 1HD2 LEU 81 -18.558 -12.078 13.130
659 HD23 LEU 81 2HD2 LEU 81 -18.524 -10.729 11.991
660 H LYS 82 H LYS 82 -12.750 -14.794 11.059
661 HA LYS 82 HA LYS 82 -11.912 -15.875 13.523
662 HB2 LYS 82 2HB LYS 82 -10.972 -16.653 11.450
663 HB3 LYS 82 1HB LYS 82 -10.433 -15.040 11.021
664 HG2 LYS 82 2HG LYS 82 -8.771 -15.098 12.780
665 HG3 LYS 82 1HG LYS 82 -9.350 -16.682 13.301
666 HD2 LYS 82 2HD LYS 82 -8.689 -17.676 11.220
667 HD3 LYS 82 1HD LYS 82 -8.298 -16.100 10.536
668 HE2 LYS 82 2HE LYS 82 -6.470 -15.838 12.098
669 HE3 LYS 82 1HE LYS 82 -6.899 -17.351 12.893
670 HZ1 LYS 82 3HZ LYS 82 -6.138 -17.190 10.030
671 HZ2 LYS 82 1HZ LYS 82 -6.297 -18.582 10.987
672 HZ3 LYS 82 2HZ LYS 82 -5.021 -17.498 11.273
673 H VAL 83 H VAL 83 -10.313 -15.044 15.002
674 HA VAL 83 HA VAL 83 -10.843 -12.477 15.888
675 HB VAL 83 HB VAL 83 -9.852 -14.199 17.310
676 HG11 VAL 83 1HG1 VAL 83 -7.464 -14.708 17.211
677 HG12 VAL 83 2HG1 VAL 83 -7.311 -13.715 15.764
678 HG13 VAL 83 3HG1 VAL 83 -8.289 -15.183 15.727
679 HG21 VAL 83 3HG2 VAL 83 -8.265 -12.806 18.538
680 HG22 VAL 83 1HG2 VAL 83 -9.668 -11.872 18.014
681 HG23 VAL 83 2HG2 VAL 83 -8.137 -11.725 17.152
682 H THR 84 H THR 84 -8.488 -13.508 13.553
683 HA THR 84 HA THR 84 -6.978 -11.069 13.546
684 HB THR 84 HB THR 84 -6.972 -13.175 11.397
685 HG1 THR 84 HG1 THR 84 -5.881 -13.260 14.028
686 HG21 THR 84 3HG2 THR 84 -4.842 -11.370 12.556
687 HG22 THR 84 1HG2 THR 84 -5.594 -11.220 10.971
688 HG23 THR 84 2HG2 THR 84 -4.556 -12.604 11.326
689 H MET 85 H MET 85 -9.943 -12.030 12.235
690 HA MET 85 HA MET 85 -9.771 -10.393 9.839
691 HB2 MET 85 2HB MET 85 -11.785 -12.310 10.938
692 HB3 MET 85 1HB MET 85 -12.297 -11.121 9.748
693 HG2 MET 85 2HG MET 85 -11.731 -13.282 8.743
694 HG3 MET 85 1HG MET 85 -10.713 -11.973 8.146
695 HE1 MET 85 3HE MET 85 -8.349 -15.101 8.083
696 HE2 MET 85 1HE MET 85 -9.060 -13.795 7.135
697 HE3 MET 85 2HE MET 85 -10.084 -15.084 7.766
698 H ILE 86 H ILE 86 -11.029 -10.192 13.071
699 HA ILE 86 HA ILE 86 -12.802 -8.028 12.631
700 HB ILE 86 HB ILE 86 -11.370 -8.892 15.147
701 HG12 ILE 86 2HG1 ILE 86 -13.870 -9.433 15.698
702 HG13 ILE 86 1HG1 ILE 86 -14.072 -9.368 13.950
703 HG21 ILE 86 1HG2 ILE 86 -12.862 -7.415 16.383
704 HG22 ILE 86 2HG2 ILE 86 -13.552 -6.826 14.871
705 HG23 ILE 86 3HG2 ILE 86 -11.864 -6.495 15.259
706 HD11 ILE 86 3HD1 ILE 86 -12.430 -11.129 13.676
707 HD12 ILE 86 1HD1 ILE 86 -13.742 -11.643 14.738
708 HD13 ILE 86 2HD1 ILE 86 -12.183 -11.181 15.421
709 H GLN 87 H GLN 87 -9.395 -8.235 13.474
710 HA GLN 87 HA GLN 87 -8.654 -5.587 13.629
711 HB2 GLN 87 2HB GLN 87 -7.001 -7.252 13.973
712 HB3 GLN 87 1HB GLN 87 -7.312 -8.000 12.414
713 HG2 GLN 87 2HG GLN 87 -6.419 -5.883 11.364
714 HG3 GLN 87 1HG GLN 87 -5.885 -5.419 12.981
715 HE21 GLN 87 1HE2 GLN 87 -4.208 -6.530 13.948
716 HE22 GLN 87 2HE2 GLN 87 -3.174 -7.619 13.079
717 H LYS 88 H LYS 88 -9.228 -7.569 10.773
718 HA LYS 88 HA LYS 88 -8.477 -5.656 8.847
719 HB2 LYS 88 2HB LYS 88 -10.448 -7.924 8.517
720 HB3 LYS 88 1HB LYS 88 -9.574 -7.100 7.235
721 HG2 LYS 88 2HG LYS 88 -8.355 -8.823 9.385
722 HG3 LYS 88 1HG LYS 88 -8.611 -9.280 7.701
723 HD2 LYS 88 2HD LYS 88 -7.115 -7.416 7.024
724 HD3 LYS 88 1HD LYS 88 -6.787 -7.112 8.731
725 HE2 LYS 88 2HE LYS 88 -6.241 -9.695 7.277
726 HE3 LYS 88 1HE LYS 88 -5.035 -8.472 7.671
727 HZ1 LYS 88 3HZ LYS 88 -5.155 -10.403 9.228
728 HZ2 LYS 88 1HZ LYS 88 -6.679 -9.847 9.724
729 HZ3 LYS 88 2HZ LYS 88 -5.306 -8.885 9.974
730 H TYR 89 H TYR 89 -11.634 -6.580 10.206
731 HA TYR 89 HA TYR 89 -13.186 -4.846 8.619
732 HD1 TYR 89 HD2 TYR 89 -14.104 -6.647 7.788
733 HD2 TYR 89 HD1 TYR 89 -14.547 -7.974 11.808
734 HE1 TYR 89 HE2 TYR 89 -14.532 -8.933 6.985
735 HE2 TYR 89 HE1 TYR 89 -14.981 -10.259 11.015
736 HH TYR 89 HH TYR 89 -14.353 -11.261 7.861
737 HB2 TYR 89 2HB TYR 89 -13.823 -5.814 11.413
738 HB3 TYR 89 1HB TYR 89 -14.968 -5.191 10.235
739 H ARG 90 H ARG 90 -11.621 -4.412 11.757
740 HA ARG 90 HA ARG 90 -12.819 -1.931 12.395
741 HE ARG 90 HE ARG 90 -13.657 -3.907 16.422
742 HB2 ARG 90 2HB ARG 90 -10.270 -3.235 13.331
743 HB3 ARG 90 1HB ARG 90 -10.822 -1.686 13.951
744 HG2 ARG 90 2HG ARG 90 -12.339 -4.282 14.109
745 HG3 ARG 90 1HG ARG 90 -11.445 -3.520 15.427
746 HD2 ARG 90 2HD ARG 90 -12.929 -1.565 15.279
747 HD3 ARG 90 1HD ARG 90 -13.832 -2.360 13.990
748 HH11 ARG 90 1HH1 ARG 90 -15.469 -1.440 14.706
749 HH12 ARG 90 2HH1 ARG 90 -16.931 -1.711 15.603
750 HH21 ARG 90 1HH2 ARG 90 -15.590 -4.279 17.581
751 HH22 ARG 90 2HH2 ARG 90 -17.007 -3.341 17.211
752 H GLN 91 H GLN 91 -9.912 -2.754 10.581
753 HA GLN 91 HA GLN 91 -9.430 0.112 10.189
754 HB2 GLN 91 2HB GLN 91 -7.674 -2.248 9.500
755 HB3 GLN 91 1HB GLN 91 -7.244 -0.554 9.278
756 HG2 GLN 91 2HG GLN 91 -7.621 -0.275 11.762
757 HG3 GLN 91 1HG GLN 91 -7.683 -2.033 11.856
758 HE21 GLN 91 1HE2 GLN 91 -5.700 0.742 11.345
759 HE22 GLN 91 2HE2 GLN 91 -4.175 -0.062 11.423
760 H LEU 92 H LEU 92 -11.394 -1.939 8.902
761 HA LEU 92 HA LEU 92 -10.924 -1.330 6.087
762 HG LEU 92 HG LEU 92 -13.617 -1.679 5.157
763 HB2 LEU 92 2HB LEU 92 -11.796 -3.530 6.587
764 HB3 LEU 92 1HB LEU 92 -13.113 -2.843 7.519
765 HD11 LEU 92 1HD1 LEU 92 -11.743 -2.715 4.017
766 HD12 LEU 92 2HD1 LEU 92 -13.273 -3.307 3.363
767 HD13 LEU 92 3HD1 LEU 92 -12.337 -4.314 4.469
768 HD21 LEU 92 3HD2 LEU 92 -14.437 -4.453 5.989
769 HD22 LEU 92 1HD2 LEU 92 -15.253 -3.473 4.771
770 HD23 LEU 92 2HD2 LEU 92 -15.216 -2.939 6.452
771 H HIS 93 H HIS 93 -13.293 -0.748 8.629
772 HA HIS 93 HA HIS 93 -15.068 0.815 7.103
773 HD1 HIS 93 HD1 HIS 93 -15.752 2.770 11.002
774 HD2 HIS 93 HD2 HIS 93 -17.929 1.089 7.878
775 HE1 HIS 93 HE1 HIS 93 -17.905 4.078 10.887
776 HE2 HIS 93 HE2 HIS 93 -19.260 2.950 9.082
777 HB2 HIS 93 2HB HIS 93 -15.711 -0.354 9.168
778 HB3 HIS 93 1HB HIS 93 -14.677 0.718 10.102
779 H HIS 94 H HIS 94 -14.492 2.649 6.174
780 HA HIS 94 HA HIS 94 -12.596 4.485 7.269
781 HD1 HIS 94 HD1 HIS 94 -15.438 7.180 5.554
782 HD2 HIS 94 HD2 HIS 94 -15.623 3.359 3.903
783 HE1 HIS 94 HE1 HIS 94 -17.681 7.025 4.436
784 HE2 HIS 94 HE2 HIS 94 -17.855 4.641 3.654
785 HB2 HIS 94 2HB HIS 94 -13.139 5.935 5.432
786 HB3 HIS 94 1HB HIS 94 -13.138 4.291 4.807
787 H HIS 95 H HIS 95 -13.178 6.793 7.728
788 HA HIS 95 HA HIS 95 -15.335 6.956 9.609
789 HD1 HIS 95 HD1 HIS 95 -14.187 7.958 12.040
790 HD2 HIS 95 HD2 HIS 95 -11.095 8.215 9.270
791 HE1 HIS 95 HE1 HIS 95 -12.102 7.323 13.290
792 HE2 HIS 95 HE2 HIS 95 -10.226 7.742 11.661
793 HB2 HIS 95 2HB HIS 95 -13.535 9.116 8.483
794 HB3 HIS 95 1HB HIS 95 -14.697 9.357 9.784
Start of MODEL 15
1 HA MET 1 HA MET 1 1.095 22.379 10.870
2 H1 MET 1 1H MET 1 -0.909 21.135 10.289
3 H2 MET 1 2H MET 1 -0.227 20.749 8.786
4 H3 MET 1 3H MET 1 -0.549 22.366 9.181
5 HB2 MET 1 2HB MET 1 0.825 20.067 11.626
6 HB3 MET 1 1HB MET 1 1.517 19.477 10.120
7 HG2 MET 1 2HG MET 1 3.637 20.588 10.686
8 HG3 MET 1 1HG MET 1 2.936 21.105 12.217
9 HE1 MET 1 3HE MET 1 5.489 18.355 13.318
10 HE2 MET 1 1HE MET 1 4.946 20.017 13.554
11 HE3 MET 1 2HE MET 1 5.671 19.535 12.021
12 H TYR 2 H TYR 2 1.965 20.103 8.270
13 HA TYR 2 HA TYR 2 3.392 22.141 6.810
14 HD1 TYR 2 HD2 TYR 2 5.843 23.378 7.401
15 HD2 TYR 2 HD1 TYR 2 6.375 19.362 6.120
16 HE1 TYR 2 HE2 TYR 2 7.688 24.097 5.942
17 HE2 TYR 2 HE1 TYR 2 8.217 20.066 4.656
18 HH TYR 2 HH TYR 2 9.627 23.201 4.826
19 HB2 TYR 2 2HB TYR 2 4.940 21.426 8.693
20 HB3 TYR 2 1HB TYR 2 4.968 19.826 7.960
21 H LEU 3 H LEU 3 4.047 21.411 4.734
22 HA LEU 3 HA LEU 3 2.298 19.615 3.507
23 HG LEU 3 HG LEU 3 2.368 19.896 1.051
24 HB2 LEU 3 2HB LEU 3 3.707 21.510 2.499
25 HB3 LEU 3 1HB LEU 3 5.014 20.347 2.430
26 HD11 LEU 3 1HD1 LEU 3 3.491 20.658 -0.996
27 HD12 LEU 3 2HD1 LEU 3 4.889 21.144 -0.036
28 HD13 LEU 3 3HD1 LEU 3 3.337 21.951 0.194
29 HD21 LEU 3 3HD2 LEU 3 3.763 17.904 1.413
30 HD22 LEU 3 1HD2 LEU 3 5.110 18.710 0.608
31 HD23 LEU 3 2HD2 LEU 3 3.647 18.318 -0.297
32 H LYS 4 H LYS 4 5.827 19.165 3.872
33 HA LYS 4 HA LYS 4 5.453 16.321 3.412
34 HB2 LYS 4 2HB LYS 4 7.228 17.486 2.184
35 HB3 LYS 4 1HB LYS 4 7.995 17.933 3.702
36 HG2 LYS 4 2HG LYS 4 8.491 15.640 4.195
37 HG3 LYS 4 1HG LYS 4 7.558 15.095 2.800
38 HD2 LYS 4 2HD LYS 4 9.124 16.162 1.291
39 HD3 LYS 4 1HD LYS 4 10.027 16.824 2.658
40 HE2 LYS 4 2HE LYS 4 10.631 14.601 3.381
41 HE3 LYS 4 1HE LYS 4 9.635 13.884 2.116
42 HZ1 LYS 4 3HZ LYS 4 11.914 15.684 1.522
43 HZ2 LYS 4 1HZ LYS 4 11.090 14.659 0.455
44 HZ3 LYS 4 2HZ LYS 4 12.088 14.002 1.657
45 H ARG 5 H ARG 5 4.852 15.223 5.120
46 HA ARG 5 HA ARG 5 6.604 15.268 7.454
47 HE ARG 5 HE ARG 5 2.067 14.600 9.101
48 HB2 ARG 5 2HB ARG 5 4.641 16.605 8.075
49 HB3 ARG 5 1HB ARG 5 3.576 15.300 7.572
50 HG2 ARG 5 2HG ARG 5 4.449 13.879 9.339
51 HG3 ARG 5 1HG ARG 5 5.567 15.156 9.826
52 HD2 ARG 5 2HD ARG 5 3.599 15.096 11.275
53 HD3 ARG 5 1HD ARG 5 3.692 16.610 10.375
54 HH11 ARG 5 1HH1 ARG 5 2.079 17.151 11.499
55 HH12 ARG 5 2HH1 ARG 5 0.375 17.472 11.347
56 HH21 ARG 5 1HH2 ARG 5 -0.155 15.010 8.905
57 HH22 ARG 5 2HH2 ARG 5 -0.893 16.269 9.851
58 H VAL 6 H VAL 6 7.305 13.274 7.840
59 HA VAL 6 HA VAL 6 6.381 11.075 6.293
60 HB VAL 6 HB VAL 6 8.209 11.068 8.703
61 HG11 VAL 6 1HG1 VAL 6 7.752 8.959 6.589
62 HG12 VAL 6 2HG1 VAL 6 7.257 8.859 8.280
63 HG13 VAL 6 3HG1 VAL 6 8.971 8.891 7.863
64 HG21 VAL 6 3HG2 VAL 6 10.017 10.985 7.059
65 HG22 VAL 6 1HG2 VAL 6 9.051 12.448 6.877
66 HG23 VAL 6 2HG2 VAL 6 8.836 11.106 5.753
67 H ASP 7 H ASP 7 4.407 10.334 6.621
68 HA ASP 7 HA ASP 7 3.348 10.039 9.317
69 HB2 ASP 7 2HB ASP 7 1.989 10.998 7.411
70 HB3 ASP 7 1HB ASP 7 1.993 9.393 6.691
71 H GLY 8 H GLY 8 4.019 8.269 10.331
72 HA2 GLY 8 2HA GLY 8 3.526 5.900 10.612
73 HA3 GLY 8 1HA GLY 8 3.817 5.705 8.890
74 HA PRO 9 HA PRO 9 7.813 5.035 11.357
75 HB2 PRO 9 2HB PRO 9 7.377 2.170 11.376
76 HB3 PRO 9 1HB PRO 9 7.634 3.255 12.742
77 HG2 PRO 9 2HG PRO 9 5.265 1.994 12.235
78 HG3 PRO 9 1HG PRO 9 5.394 3.533 13.106
79 HD2 PRO 9 2HD PRO 9 4.658 3.024 10.250
80 HD3 PRO 9 1HD PRO 9 3.977 4.196 11.399
81 H ARG 10 H ARG 10 9.609 3.435 10.629
82 HA ARG 10 HA ARG 10 9.718 3.557 7.761
83 HE ARG 10 HE ARG 10 13.927 3.251 7.484
84 HB2 ARG 10 2HB ARG 10 11.637 2.631 9.878
85 HB3 ARG 10 1HB ARG 10 11.977 2.390 8.170
86 HG2 ARG 10 2HG ARG 10 11.881 4.784 7.786
87 HG3 ARG 10 1HG ARG 10 11.459 5.052 9.480
88 HD2 ARG 10 2HD ARG 10 13.865 5.433 8.952
89 HD3 ARG 10 1HD ARG 10 13.583 4.231 10.209
90 HH11 ARG 10 1HH1 ARG 10 15.358 3.829 10.621
91 HH12 ARG 10 2HH1 ARG 10 16.615 2.647 10.416
92 HH21 ARG 10 1HH2 ARG 10 15.567 1.706 7.190
93 HH22 ARG 10 2HH2 ARG 10 16.741 1.434 8.453
94 H GLN 11 H GLN 11 8.933 1.096 10.076
95 HA GLN 11 HA GLN 11 8.332 -0.705 7.893
96 HB2 GLN 11 2HB GLN 11 9.594 -2.568 8.690
97 HB3 GLN 11 1HB GLN 11 10.702 -1.211 8.547
98 HG2 GLN 11 2HG GLN 11 10.522 -0.838 10.973
99 HG3 GLN 11 1HG GLN 11 9.458 -2.237 11.093
100 HE21 GLN 11 1HE2 GLN 11 10.781 -3.414 12.416
101 HE22 GLN 11 2HE2 GLN 11 12.307 -4.058 11.899
102 H VAL 12 H VAL 12 6.765 -2.225 8.369
103 HA VAL 12 HA VAL 12 5.771 -2.298 11.135
104 HB VAL 12 HB VAL 12 3.452 -2.570 10.245
105 HG11 VAL 12 1HG1 VAL 12 4.177 -0.441 11.152
106 HG12 VAL 12 2HG1 VAL 12 3.081 -0.189 9.792
107 HG13 VAL 12 3HG1 VAL 12 4.819 0.031 9.579
108 HG21 VAL 12 3HG2 VAL 12 2.963 -1.816 7.965
109 HG22 VAL 12 1HG2 VAL 12 3.990 -3.248 7.971
110 HG23 VAL 12 2HG2 VAL 12 4.690 -1.662 7.646
111 H THR 13 H THR 13 4.576 -4.280 11.642
112 HA THR 13 HA THR 13 5.742 -6.551 10.203
113 HB THR 13 HB THR 13 4.414 -6.608 12.916
114 HG1 THR 13 HG1 THR 13 7.204 -6.349 12.362
115 HG21 THR 13 3HG2 THR 13 4.694 -8.783 11.834
116 HG22 THR 13 1HG2 THR 13 5.769 -8.634 13.225
117 HG23 THR 13 2HG2 THR 13 6.410 -8.455 11.592
118 H LEU 14 H LEU 14 4.486 -8.099 9.263
119 HA LEU 14 HA LEU 14 1.639 -7.574 9.025
120 HG LEU 14 HG LEU 14 2.769 -8.669 5.624
121 HB2 LEU 14 2HB LEU 14 3.468 -9.629 7.782
122 HB3 LEU 14 1HB LEU 14 1.734 -9.649 7.545
123 HD11 LEU 14 1HD1 LEU 14 1.501 -6.505 7.285
124 HD12 LEU 14 2HD1 LEU 14 0.644 -7.708 6.321
125 HD13 LEU 14 3HD1 LEU 14 1.672 -6.511 5.530
126 HD21 LEU 14 3HD2 LEU 14 4.871 -7.967 6.635
127 HD22 LEU 14 1HD2 LEU 14 4.035 -6.667 7.485
128 HD23 LEU 14 2HD2 LEU 14 4.124 -6.658 5.723
129 HA PRO 15 HA PRO 15 0.364 -10.617 12.051
130 HB2 PRO 15 2HB PRO 15 -1.886 -11.294 10.286
131 HB3 PRO 15 1HB PRO 15 -1.908 -10.580 11.899
132 HG2 PRO 15 2HG PRO 15 -2.550 -9.164 9.699
133 HG3 PRO 15 1HG PRO 15 -1.743 -8.424 11.094
134 HD2 PRO 15 2HD PRO 15 -0.587 -9.304 8.476
135 HD3 PRO 15 1HD PRO 15 -0.226 -7.850 9.432
136 H ASP 16 H ASP 16 0.897 -11.239 8.743
137 HA ASP 16 HA ASP 16 0.710 -14.099 8.813
138 HB2 ASP 16 2HB ASP 16 0.314 -12.995 6.727
139 HB3 ASP 16 1HB ASP 16 1.842 -12.132 6.818
140 H GLY 17 H GLY 17 3.099 -11.776 9.651
141 HA2 GLY 17 2HA GLY 17 5.021 -12.480 10.935
142 HA3 GLY 17 1HA GLY 17 5.076 -13.942 9.957
143 H THR 18 H THR 18 4.356 -11.578 7.858
144 HA THR 18 HA THR 18 7.043 -11.469 6.829
145 HB THR 18 HB THR 18 5.398 -9.761 5.319
146 HG1 THR 18 HG1 THR 18 3.967 -12.176 5.661
147 HG21 THR 18 3HG2 THR 18 6.059 -12.679 4.895
148 HG22 THR 18 1HG2 THR 18 7.075 -11.312 4.434
149 HG23 THR 18 2HG2 THR 18 5.513 -11.552 3.653
150 H VAL 19 H VAL 19 7.962 -9.352 6.088
151 HA VAL 19 HA VAL 19 7.382 -7.215 8.043
152 HB VAL 19 HB VAL 19 10.014 -7.795 6.657
153 HG11 VAL 19 1HG1 VAL 19 9.689 -5.406 7.044
154 HG12 VAL 19 2HG1 VAL 19 10.930 -6.048 8.122
155 HG13 VAL 19 3HG1 VAL 19 9.311 -5.722 8.738
156 HG21 VAL 19 3HG2 VAL 19 9.513 -9.445 8.377
157 HG22 VAL 19 1HG2 VAL 19 9.194 -8.156 9.539
158 HG23 VAL 19 2HG2 VAL 19 10.823 -8.385 8.901
159 H LEU 20 H LEU 20 6.789 -5.285 7.266
160 HA LEU 20 HA LEU 20 7.116 -4.789 4.380
161 HG LEU 20 HG LEU 20 5.098 -2.315 4.528
162 HB2 LEU 20 2HB LEU 20 4.804 -5.298 4.834
163 HB3 LEU 20 1HB LEU 20 4.762 -4.163 6.167
164 HD11 LEU 20 1HD1 LEU 20 6.165 -3.653 2.758
165 HD12 LEU 20 2HD1 LEU 20 4.770 -2.750 2.165
166 HD13 LEU 20 3HD1 LEU 20 4.631 -4.480 2.478
167 HD21 LEU 20 3HD2 LEU 20 2.807 -2.387 3.665
168 HD22 LEU 20 1HD2 LEU 20 2.880 -2.894 5.353
169 HD23 LEU 20 2HD2 LEU 20 2.709 -4.098 4.075
170 H SER 21 H SER 21 8.753 -3.363 4.331
171 HA SER 21 HA SER 21 8.700 -1.115 6.207
172 HG SER 21 HG SER 21 10.616 -2.816 3.658
173 HB2 SER 21 2HB SER 21 10.991 -0.690 5.523
174 HB3 SER 21 1HB SER 21 10.824 -2.396 5.920
175 H ARG 22 H ARG 22 9.412 1.041 5.166
176 HA ARG 22 HA ARG 22 7.520 1.714 3.153
177 HE ARG 22 HE ARG 22 8.739 6.171 4.175
178 HB2 ARG 22 2HB ARG 22 9.833 3.284 4.307
179 HB3 ARG 22 1HB ARG 22 8.639 3.957 3.203
180 HG2 ARG 22 2HG ARG 22 6.873 3.514 4.813
181 HG3 ARG 22 1HG ARG 22 8.038 2.776 5.909
182 HD2 ARG 22 2HD ARG 22 7.526 5.054 6.595
183 HD3 ARG 22 1HD ARG 22 9.212 4.915 6.102
184 HH11 ARG 22 1HH1 ARG 22 5.945 5.813 6.272
185 HH12 ARG 22 2HH1 ARG 22 5.062 7.106 5.529
186 HH21 ARG 22 1HH2 ARG 22 7.588 7.860 3.192
187 HH22 ARG 22 2HH2 ARG 22 5.989 8.268 3.732
188 H ALA 23 H ALA 23 10.432 0.164 2.929
189 HA ALA 23 HA ALA 23 10.975 1.147 0.217
190 HB1 ALA 23 3HB ALA 23 12.635 -0.671 1.964
191 HB2 ALA 23 1HB ALA 23 12.887 1.061 1.757
192 HB3 ALA 23 2HB ALA 23 13.102 -0.030 0.388
193 H ASP 24 H ASP 24 9.166 -1.159 1.726
194 HA ASP 24 HA ASP 24 9.607 -3.261 -0.244
195 HB2 ASP 24 2HB ASP 24 7.872 -3.047 2.201
196 HB3 ASP 24 1HB ASP 24 7.600 -4.317 1.015
197 H LEU 25 H LEU 25 7.783 -0.471 0.092
198 HA LEU 25 HA LEU 25 5.385 -1.089 -1.181
199 HG LEU 25 HG LEU 25 5.782 0.737 1.003
200 HB2 LEU 25 2HB LEU 25 7.026 1.426 -1.067
201 HB3 LEU 25 1HB LEU 25 5.507 1.362 -1.940
202 HD11 LEU 25 1HD1 LEU 25 6.365 3.072 0.541
203 HD12 LEU 25 2HD1 LEU 25 4.830 2.941 1.401
204 HD13 LEU 25 3HD1 LEU 25 4.845 3.276 -0.330
205 HD21 LEU 25 3HD2 LEU 25 3.379 1.235 -0.753
206 HD22 LEU 25 1HD2 LEU 25 3.342 0.993 0.993
207 HD23 LEU 25 2HD2 LEU 25 3.866 -0.313 -0.067
208 HA PRO 26 HA PRO 26 6.598 -2.411 -5.216
209 HB2 PRO 26 2HB PRO 26 4.250 -1.624 -6.486
210 HB3 PRO 26 1HB PRO 26 4.483 -3.158 -5.642
211 HG2 PRO 26 2HG PRO 26 3.212 -0.635 -4.674
212 HG3 PRO 26 1HG PRO 26 2.721 -2.319 -4.404
213 HD2 PRO 26 2HD PRO 26 3.967 -0.935 -2.500
214 HD3 PRO 26 1HD PRO 26 4.340 -2.652 -2.766
215 HA PRO 27 HA PRO 27 8.255 0.908 -7.560
216 HB2 PRO 27 2HB PRO 27 7.372 0.253 -10.119
217 HB3 PRO 27 1HB PRO 27 8.832 -0.369 -9.345
218 HG2 PRO 27 2HG PRO 27 6.129 -1.617 -9.582
219 HG3 PRO 27 1HG PRO 27 7.731 -2.374 -9.688
220 HD2 PRO 27 2HD PRO 27 6.239 -2.607 -7.485
221 HD3 PRO 27 1HD PRO 27 8.001 -2.407 -7.376
222 H LEU 28 H LEU 28 7.664 2.935 -7.945
223 HA LEU 28 HA LEU 28 5.013 3.755 -7.566
224 HG LEU 28 HG LEU 28 8.042 4.604 -6.662
225 HB2 LEU 28 2HB LEU 28 7.249 5.344 -8.823
226 HB3 LEU 28 1HB LEU 28 5.789 5.996 -8.106
227 HD11 LEU 28 1HD1 LEU 28 8.483 6.928 -7.304
228 HD12 LEU 28 2HD1 LEU 28 8.326 6.747 -5.556
229 HD13 LEU 28 3HD1 LEU 28 6.996 7.426 -6.495
230 HD21 LEU 28 3HD2 LEU 28 5.433 5.651 -5.582
231 HD22 LEU 28 1HD2 LEU 28 6.783 5.064 -4.613
232 HD23 LEU 28 2HD2 LEU 28 5.915 3.959 -5.678
233 H ASP 29 H ASP 29 6.832 3.127 -10.488
234 HA ASP 29 HA ASP 29 4.651 4.205 -12.132
235 HB2 ASP 29 2HB ASP 29 7.493 3.432 -12.815
236 HB3 ASP 29 1HB ASP 29 6.304 3.902 -14.023
237 H THR 30 H THR 30 4.356 1.674 -10.731
238 HA THR 30 HA THR 30 4.789 -0.467 -12.531
239 HB THR 30 HB THR 30 4.535 -0.911 -10.162
240 HG1 THR 30 HG1 THR 30 3.559 -2.341 -12.016
241 HG21 THR 30 3HG2 THR 30 2.924 0.796 -9.551
242 HG22 THR 30 1HG2 THR 30 2.338 -0.793 -9.065
243 HG23 THR 30 2HG2 THR 30 1.676 -0.009 -10.500
244 H ARG 31 H ARG 31 1.935 1.545 -11.865
245 HA ARG 31 HA ARG 31 0.047 1.969 -13.026
246 HE ARG 31 HE ARG 31 2.352 5.297 -15.487
247 HB2 ARG 31 2HB ARG 31 1.826 1.000 -15.216
248 HB3 ARG 31 1HB ARG 31 0.113 1.192 -15.552
249 HG2 ARG 31 2HG ARG 31 1.435 3.164 -16.185
250 HG3 ARG 31 1HG ARG 31 0.211 3.529 -14.970
251 HD2 ARG 31 2HD ARG 31 1.886 3.511 -13.228
252 HD3 ARG 31 1HD ARG 31 3.121 3.012 -14.382
253 HH11 ARG 31 1HH1 ARG 31 2.850 4.591 -12.088
254 HH12 ARG 31 2HH1 ARG 31 3.509 6.158 -11.721
255 HH21 ARG 31 1HH2 ARG 31 3.193 7.379 -15.000
256 HH22 ARG 31 2HH2 ARG 31 3.688 7.742 -13.376
257 H ARG 32 H ARG 32 1.032 -1.155 -14.465
258 HA ARG 32 HA ARG 32 -1.662 -2.131 -14.226
259 HE ARG 32 HE ARG 32 -2.168 -6.678 -16.205
260 HB2 ARG 32 2HB ARG 32 -0.161 -2.728 -16.132
261 HB3 ARG 32 1HB ARG 32 0.823 -3.656 -15.011
262 HG2 ARG 32 2HG ARG 32 -1.040 -5.136 -14.550
263 HG3 ARG 32 1HG ARG 32 -2.082 -4.177 -15.605
264 HD2 ARG 32 2HD ARG 32 -0.616 -4.695 -17.501
265 HD3 ARG 32 1HD ARG 32 0.396 -5.673 -16.440
266 HH11 ARG 32 1HH1 ARG 32 0.177 -6.242 -18.753
267 HH12 ARG 32 2HH1 ARG 32 -0.324 -7.639 -19.646
268 HH21 ARG 32 1HH2 ARG 32 -2.851 -8.529 -17.367
269 HH22 ARG 32 2HH2 ARG 32 -2.052 -8.953 -18.857
270 H TRP 33 H TRP 33 -1.918 -1.932 -12.009
271 HA TRP 33 HA TRP 33 -0.333 -3.187 -10.052
272 HD1 TRP 33 HD1 TRP 33 -2.468 0.266 -10.713
273 HE1 TRP 33 HE1 TRP 33 -1.090 2.068 -9.489
274 HE3 TRP 33 HE3 TRP 33 -0.415 -2.647 -7.067
275 HZ2 TRP 33 HZ2 TRP 33 0.630 2.215 -7.263
276 HZ3 TRP 33 HZ3 TRP 33 1.083 -1.606 -5.426
277 HH2 TRP 33 HH2 TRP 33 1.597 0.777 -5.523
278 HB2 TRP 33 2HB TRP 33 -3.175 -2.204 -10.066
279 HB3 TRP 33 1HB TRP 33 -2.433 -2.913 -8.635
280 H VAL 34 H VAL 34 -0.176 -5.211 -9.401
281 HA VAL 34 HA VAL 34 -2.300 -7.107 -10.115
282 HB VAL 34 HB VAL 34 -0.726 -8.899 -9.605
283 HG11 VAL 34 1HG1 VAL 34 0.468 -6.821 -11.428
284 HG12 VAL 34 2HG1 VAL 34 -0.758 -8.010 -11.866
285 HG13 VAL 34 3HG1 VAL 34 0.863 -8.540 -11.426
286 HG21 VAL 34 3HG2 VAL 34 1.258 -6.713 -8.999
287 HG22 VAL 34 1HG2 VAL 34 1.614 -8.438 -9.079
288 HG23 VAL 34 2HG2 VAL 34 0.540 -7.815 -7.825
289 H ALA 35 H ALA 35 -2.722 -8.799 -8.406
290 HA ALA 35 HA ALA 35 -3.948 -7.540 -6.254
291 HB1 ALA 35 3HB ALA 35 -4.609 -9.722 -7.168
292 HB2 ALA 35 1HB ALA 35 -4.442 -9.747 -5.412
293 HB3 ALA 35 2HB ALA 35 -3.182 -10.447 -6.426
294 H SER 36 H SER 36 -0.846 -9.236 -6.337
295 HA SER 36 HA SER 36 -0.379 -9.258 -3.569
296 HG SER 36 HG SER 36 -0.107 -11.159 -4.976
297 HB2 SER 36 2HB SER 36 1.710 -9.169 -5.744
298 HB3 SER 36 1HB SER 36 1.872 -9.867 -4.128
299 H ARG 37 H ARG 37 0.570 -6.912 -6.067
300 HA ARG 37 HA ARG 37 2.140 -5.337 -4.286
301 HE ARG 37 HE ARG 37 4.588 -6.630 -8.467
302 HB2 ARG 37 2HB ARG 37 0.953 -4.565 -6.962
303 HB3 ARG 37 1HB ARG 37 2.230 -3.704 -6.108
304 HG2 ARG 37 2HG ARG 37 3.658 -5.704 -6.284
305 HG3 ARG 37 1HG ARG 37 2.383 -6.499 -7.209
306 HD2 ARG 37 2HD ARG 37 2.547 -4.626 -8.864
307 HD3 ARG 37 1HD ARG 37 3.968 -4.059 -7.983
308 HH11 ARG 37 1HH1 ARG 37 3.516 -4.020 -10.538
309 HH12 ARG 37 2HH1 ARG 37 4.240 -4.686 -11.968
310 HH21 ARG 37 1HH2 ARG 37 5.526 -7.524 -10.347
311 HH22 ARG 37 2HH2 ARG 37 5.359 -6.687 -11.866
312 H LYS 38 H LYS 38 -1.191 -5.201 -5.422
313 HA LYS 38 HA LYS 38 -1.944 -2.779 -4.216
314 HB2 LYS 38 2HB LYS 38 -3.571 -5.282 -4.686
315 HB3 LYS 38 1HB LYS 38 -4.251 -3.749 -4.170
316 HG2 LYS 38 2HG LYS 38 -3.386 -2.730 -6.265
317 HG3 LYS 38 1HG LYS 38 -2.889 -4.343 -6.782
318 HD2 LYS 38 2HD LYS 38 -5.228 -5.100 -6.545
319 HD3 LYS 38 1HD LYS 38 -5.696 -3.453 -6.132
320 HE2 LYS 38 2HE LYS 38 -4.962 -2.669 -8.304
321 HE3 LYS 38 1HE LYS 38 -4.396 -4.285 -8.722
322 HZ1 LYS 38 3HZ LYS 38 -7.224 -3.547 -8.163
323 HZ2 LYS 38 1HZ LYS 38 -6.662 -5.087 -8.614
324 HZ3 LYS 38 2HZ LYS 38 -6.558 -3.788 -9.698
325 H ALA 39 H ALA 39 -1.895 -6.089 -2.989
326 HA ALA 39 HA ALA 39 -3.072 -5.644 -0.497
327 HB1 ALA 39 3HB ALA 39 -2.711 -7.874 -1.430
328 HB2 ALA 39 1HB ALA 39 -2.026 -7.736 0.190
329 HB3 ALA 39 2HB ALA 39 -0.971 -7.682 -1.219
330 H ALA 40 H ALA 40 0.354 -5.563 -1.445
331 HA ALA 40 HA ALA 40 1.455 -5.086 1.073
332 HB1 ALA 40 3HB ALA 40 3.400 -4.218 -0.108
333 HB2 ALA 40 1HB ALA 40 2.456 -4.080 -1.592
334 HB3 ALA 40 2HB ALA 40 2.788 -5.668 -0.900
335 H VAL 41 H VAL 41 0.237 -2.787 -1.345
336 HA VAL 41 HA VAL 41 1.032 -0.453 0.049
337 HB VAL 41 HB VAL 41 -1.162 -0.770 -2.006
338 HG11 VAL 41 1HG1 VAL 41 0.253 1.713 -1.042
339 HG12 VAL 41 2HG1 VAL 41 -1.424 1.280 -0.708
340 HG13 VAL 41 3HG1 VAL 41 -0.917 1.635 -2.359
341 HG21 VAL 41 3HG2 VAL 41 1.719 0.058 -2.309
342 HG22 VAL 41 1HG2 VAL 41 0.509 0.052 -3.591
343 HG23 VAL 41 2HG2 VAL 41 1.013 -1.464 -2.846
344 H VAL 42 H VAL 42 -2.109 -2.141 -0.149
345 HA VAL 42 HA VAL 42 -3.436 -0.263 1.501
346 HB VAL 42 HB VAL 42 -4.654 -1.760 -0.032
347 HG11 VAL 42 1HG1 VAL 42 -5.125 -4.076 0.610
348 HG12 VAL 42 2HG1 VAL 42 -3.992 -3.926 1.953
349 HG13 VAL 42 3HG1 VAL 42 -3.410 -3.815 0.292
350 HG21 VAL 42 3HG2 VAL 42 -5.474 -2.007 2.856
351 HG22 VAL 42 1HG2 VAL 42 -6.529 -2.252 1.461
352 HG23 VAL 42 2HG2 VAL 42 -5.837 -0.660 1.777
353 H LYS 43 H LYS 43 -1.731 -3.290 2.211
354 HA LYS 43 HA LYS 43 -2.425 -3.431 4.949
355 HB2 LYS 43 2HB LYS 43 -0.035 -4.485 3.434
356 HB3 LYS 43 1HB LYS 43 -0.283 -4.787 5.149
357 HG2 LYS 43 2HG LYS 43 -2.286 -6.011 4.715
358 HG3 LYS 43 1HG LYS 43 -2.255 -5.560 3.008
359 HD2 LYS 43 2HD LYS 43 -0.231 -6.840 2.667
360 HD3 LYS 43 1HD LYS 43 -0.127 -7.194 4.391
361 HE2 LYS 43 2HE LYS 43 -2.173 -8.488 4.285
362 HE3 LYS 43 1HE LYS 43 -2.384 -8.061 2.588
363 HZ1 LYS 43 3HZ LYS 43 -0.616 -9.401 1.947
364 HZ2 LYS 43 1HZ LYS 43 -1.380 -10.325 3.139
365 HZ3 LYS 43 2HZ LYS 43 0.039 -9.482 3.510
366 H ALA 44 H ALA 44 0.054 -1.683 3.194
367 HA ALA 44 HA ALA 44 1.605 -0.834 5.374
368 HB1 ALA 44 3HB ALA 44 2.351 -0.612 3.050
369 HB2 ALA 44 1HB ALA 44 2.415 0.936 3.895
370 HB3 ALA 44 2HB ALA 44 1.105 0.602 2.764
371 H VAL 45 H VAL 45 -1.204 0.667 3.800
372 HA VAL 45 HA VAL 45 -1.190 2.920 5.562
373 HB VAL 45 HB VAL 45 -3.393 1.935 3.744
374 HG11 VAL 45 1HG1 VAL 45 -4.258 4.231 3.900
375 HG12 VAL 45 2HG1 VAL 45 -3.010 4.614 5.087
376 HG13 VAL 45 3HG1 VAL 45 -4.257 3.425 5.469
377 HG21 VAL 45 3HG2 VAL 45 -2.581 3.682 2.209
378 HG22 VAL 45 1HG2 VAL 45 -1.368 2.438 2.509
379 HG23 VAL 45 2HG2 VAL 45 -1.241 4.002 3.308
380 H ILE 46 H ILE 46 -2.859 -0.181 5.516
381 HA ILE 46 HA ILE 46 -4.703 0.417 7.584
382 HB ILE 46 HB ILE 46 -3.648 -2.207 6.545
383 HG12 ILE 46 2HG1 ILE 46 -6.348 -0.855 6.332
384 HG13 ILE 46 1HG1 ILE 46 -5.124 -0.894 5.066
385 HG21 ILE 46 1HG2 ILE 46 -5.430 -3.305 7.850
386 HG22 ILE 46 2HG2 ILE 46 -5.764 -1.771 8.650
387 HG23 ILE 46 3HG2 ILE 46 -4.205 -2.562 8.876
388 HD11 ILE 46 3HD1 ILE 46 -6.555 -3.285 6.206
389 HD12 ILE 46 1HD1 ILE 46 -5.341 -3.318 4.926
390 HD13 ILE 46 2HD1 ILE 46 -6.889 -2.514 4.656
391 H HIS 47 H HIS 47 -1.454 -1.026 7.630
392 HA HIS 47 HA HIS 47 -1.563 -1.425 10.488
393 HD1 HIS 47 HD1 HIS 47 -1.505 -3.774 10.852
394 HD2 HIS 47 HD2 HIS 47 0.576 -4.074 7.259
395 HE1 HIS 47 HE1 HIS 47 -2.006 -6.070 9.968
396 HE2 HIS 47 HE2 HIS 47 -0.667 -6.265 7.842
397 HB2 HIS 47 2HB HIS 47 0.723 -1.708 8.534
398 HB3 HIS 47 1HB HIS 47 0.851 -2.062 10.251
399 H GLY 48 H GLY 48 -0.908 1.204 8.481
400 HA2 GLY 48 2HA GLY 48 -0.678 3.387 9.304
401 HA3 GLY 48 1HA GLY 48 -0.094 2.732 10.824
402 H LEU 49 H LEU 49 1.293 1.515 7.925
403 HA LEU 49 HA LEU 49 3.902 2.451 8.617
404 HG LEU 49 HG LEU 49 5.058 2.285 5.743
405 HB2 LEU 49 2HB LEU 49 3.563 0.321 7.476
406 HB3 LEU 49 1HB LEU 49 2.845 1.145 6.108
407 HD11 LEU 49 1HD1 LEU 49 7.031 1.265 6.754
408 HD12 LEU 49 2HD1 LEU 49 5.992 0.243 7.749
409 HD13 LEU 49 3HD1 LEU 49 5.982 1.992 7.972
410 HD21 LEU 49 3HD2 LEU 49 6.093 0.327 4.704
411 HD22 LEU 49 1HD2 LEU 49 4.359 0.397 4.390
412 HD23 LEU 49 2HD2 LEU 49 4.993 -0.722 5.597
413 H ILE 50 H ILE 50 1.514 3.263 6.167
414 HA ILE 50 HA ILE 50 2.788 5.884 5.845
415 HB ILE 50 HB ILE 50 2.401 5.876 3.428
416 HG12 ILE 50 2HG1 ILE 50 1.793 2.926 3.661
417 HG13 ILE 50 1HG1 ILE 50 0.540 4.159 3.546
418 HG21 ILE 50 1HG2 ILE 50 4.601 5.248 4.193
419 HG22 ILE 50 2HG2 ILE 50 4.179 4.302 2.767
420 HG23 ILE 50 3HG2 ILE 50 4.097 3.570 4.371
421 HD11 ILE 50 3HD1 ILE 50 0.990 3.120 1.394
422 HD12 ILE 50 1HD1 ILE 50 2.676 3.633 1.493
423 HD13 ILE 50 2HD1 ILE 50 1.393 4.838 1.377
424 H THR 51 H THR 51 1.268 7.447 4.801
425 HA THR 51 HA THR 51 -1.460 6.942 5.664
426 HB THR 51 HB THR 51 -0.713 9.084 6.333
427 HG1 THR 51 HG1 THR 51 -2.063 10.504 4.943
428 HG21 THR 51 3HG2 THR 51 0.188 10.767 4.789
429 HG22 THR 51 1HG2 THR 51 0.134 9.586 3.483
430 HG23 THR 51 2HG2 THR 51 1.203 9.327 4.858
431 H GLU 52 H GLU 52 -3.249 7.488 4.226
432 HA GLU 52 HA GLU 52 -3.184 5.972 1.883
433 HB2 GLU 52 2HB GLU 52 -5.172 6.743 3.377
434 HB3 GLU 52 1HB GLU 52 -5.191 8.160 2.340
435 HG2 GLU 52 2HG GLU 52 -5.574 6.759 0.394
436 HG3 GLU 52 1HG GLU 52 -5.478 5.317 1.401
437 H ARG 53 H ARG 53 -3.020 9.475 2.391
438 HA ARG 53 HA ARG 53 -2.985 10.162 -0.352
439 HE ARG 53 HE ARG 53 -4.934 13.502 -1.514
440 HB2 ARG 53 2HB ARG 53 -2.900 11.544 2.136
441 HB3 ARG 53 1HB ARG 53 -1.575 12.134 1.140
442 HG2 ARG 53 2HG ARG 53 -4.465 12.010 0.303
443 HG3 ARG 53 1HG ARG 53 -3.616 13.456 0.854
444 HD2 ARG 53 2HD ARG 53 -2.157 13.410 -1.027
445 HD3 ARG 53 1HD ARG 53 -2.727 11.812 -1.503
446 HH11 ARG 53 1HH1 ARG 53 -1.844 13.321 -3.137
447 HH12 ARG 53 2HH1 ARG 53 -2.459 13.910 -4.655
448 HH21 ARG 53 1HH2 ARG 53 -5.757 14.285 -3.522
449 HH22 ARG 53 2HH2 ARG 53 -4.675 14.449 -4.876
450 H GLU 54 H GLU 54 -0.507 9.203 1.893
451 HA GLU 54 HA GLU 54 1.795 9.922 0.465
452 HB2 GLU 54 2HB GLU 54 1.961 9.089 2.732
453 HB3 GLU 54 1HB GLU 54 1.228 7.561 2.274
454 HG2 GLU 54 2HG GLU 54 3.516 7.133 2.539
455 HG3 GLU 54 1HG GLU 54 3.234 7.177 0.801
456 H ALA 55 H ALA 55 -0.188 6.993 0.391
457 HA ALA 55 HA ALA 55 1.271 5.731 -1.696
458 HB1 ALA 55 3HB ALA 55 -1.571 5.248 -0.809
459 HB2 ALA 55 1HB ALA 55 -0.136 4.486 -0.122
460 HB3 ALA 55 2HB ALA 55 -0.592 4.164 -1.795
461 H LEU 56 H LEU 56 -1.780 7.550 -1.657
462 HA LEU 56 HA LEU 56 -2.471 7.249 -4.337
463 HG LEU 56 HG LEU 56 -3.902 7.469 -1.607
464 HB2 LEU 56 2HB LEU 56 -3.020 9.601 -2.525
465 HB3 LEU 56 1HB LEU 56 -3.851 9.265 -4.032
466 HD11 LEU 56 1HD1 LEU 56 -5.991 9.371 -2.653
467 HD12 LEU 56 2HD1 LEU 56 -5.041 9.577 -1.182
468 HD13 LEU 56 3HD1 LEU 56 -6.190 8.245 -1.310
469 HD21 LEU 56 3HD2 LEU 56 -5.717 6.336 -2.798
470 HD22 LEU 56 1HD2 LEU 56 -4.202 6.262 -3.697
471 HD23 LEU 56 2HD2 LEU 56 -5.463 7.395 -4.186
472 H ASP 57 H ASP 57 -0.385 9.680 -2.821
473 HA ASP 57 HA ASP 57 -0.115 11.290 -5.139
474 HB2 ASP 57 2HB ASP 57 1.072 11.198 -2.472
475 HB3 ASP 57 1HB ASP 57 2.207 11.720 -3.713
476 H ARG 58 H ARG 58 2.087 8.872 -3.717
477 HA ARG 58 HA ARG 58 4.071 9.253 -5.696
478 HE ARG 58 HE ARG 58 4.399 7.471 -1.201
479 HB2 ARG 58 2HB ARG 58 5.120 7.240 -4.765
480 HB3 ARG 58 1HB ARG 58 4.641 8.379 -3.520
481 HG2 ARG 58 2HG ARG 58 2.674 7.029 -3.027
482 HG3 ARG 58 1HG ARG 58 3.145 5.883 -4.282
483 HD2 ARG 58 2HD ARG 58 3.784 5.124 -2.032
484 HD3 ARG 58 1HD ARG 58 5.179 5.352 -3.086
485 HH11 ARG 58 1HH1 ARG 58 6.721 5.095 -2.298
486 HH12 ARG 58 2HH1 ARG 58 8.013 5.717 -1.327
487 HH21 ARG 58 1HH2 ARG 58 6.087 8.292 0.088
488 HH22 ARG 58 2HH2 ARG 58 7.655 7.522 0.046
489 H TYR 59 H TYR 59 1.275 7.161 -5.572
490 HA TYR 59 HA TYR 59 2.225 5.753 -7.963
491 HD1 TYR 59 HD2 TYR 59 2.881 3.440 -7.614
492 HD2 TYR 59 HD1 TYR 59 0.689 4.354 -4.088
493 HE1 TYR 59 HE2 TYR 59 4.428 2.057 -6.304
494 HE2 TYR 59 HE1 TYR 59 2.233 2.968 -2.765
495 HH TYR 59 HH TYR 59 5.120 1.549 -4.209
496 HB2 TYR 59 2HB TYR 59 -0.076 5.155 -6.102
497 HB3 TYR 59 1HB TYR 59 0.310 4.214 -7.539
498 H SER 60 H SER 60 0.526 8.462 -7.284
499 HA SER 60 HA SER 60 -0.948 9.783 -8.393
500 HG SER 60 HG SER 60 -1.978 9.733 -10.953
501 HB2 SER 60 2HB SER 60 0.732 9.334 -10.220
502 HB3 SER 60 1HB SER 60 -0.329 8.052 -10.800
503 H LEU 61 H LEU 61 -2.072 7.706 -6.942
504 HA LEU 61 HA LEU 61 -4.148 6.497 -8.612
505 HG LEU 61 HG LEU 61 -1.872 4.991 -7.332
506 HB2 LEU 61 2HB LEU 61 -3.418 6.089 -5.713
507 HB3 LEU 61 1HB LEU 61 -4.756 5.288 -6.509
508 HD11 LEU 61 1HD1 LEU 61 -2.254 4.082 -5.098
509 HD12 LEU 61 2HD1 LEU 61 -1.982 2.800 -6.279
510 HD13 LEU 61 3HD1 LEU 61 -3.617 3.145 -5.712
511 HD21 LEU 61 3HD2 LEU 61 -4.355 3.477 -8.122
512 HD22 LEU 61 1HD2 LEU 61 -2.710 3.083 -8.618
513 HD23 LEU 61 2HD2 LEU 61 -3.451 4.594 -9.142
514 H SER 62 H SER 62 -6.356 6.423 -7.671
515 HA SER 62 HA SER 62 -7.085 8.983 -6.418
516 HG SER 62 HG SER 62 -7.647 8.011 -9.649
517 HB2 SER 62 2HB SER 62 -8.852 7.183 -8.101
518 HB3 SER 62 1HB SER 62 -9.238 8.798 -7.509
519 H GLU 63 H GLU 63 -8.926 8.899 -4.950
520 HA GLU 63 HA GLU 63 -8.545 7.078 -2.902
521 HB2 GLU 63 2HB GLU 63 -9.622 9.346 -2.772
522 HB3 GLU 63 1HB GLU 63 -11.080 8.620 -3.441
523 HG2 GLU 63 2HG GLU 63 -11.050 7.019 -1.542
524 HG3 GLU 63 1HG GLU 63 -9.733 7.963 -0.854
525 H GLU 64 H GLU 64 -10.953 7.101 -5.497
526 HA GLU 64 HA GLU 64 -12.566 5.003 -4.628
527 HB2 GLU 64 2HB GLU 64 -13.163 4.720 -7.035
528 HB3 GLU 64 1HB GLU 64 -13.270 6.377 -6.458
529 HG2 GLU 64 2HG GLU 64 -11.215 6.955 -7.541
530 HG3 GLU 64 1HG GLU 64 -10.918 5.271 -7.974
531 H GLU 65 H GLU 65 -9.532 4.902 -6.424
532 HA GLU 65 HA GLU 65 -9.569 2.145 -7.056
533 HB2 GLU 65 2HB GLU 65 -8.102 3.817 -8.153
534 HB3 GLU 65 1HB GLU 65 -7.213 4.007 -6.654
535 HG2 GLU 65 2HG GLU 65 -5.951 2.633 -8.133
536 HG3 GLU 65 1HG GLU 65 -6.531 1.640 -6.801
537 H PHE 66 H PHE 66 -7.900 3.954 -4.488
538 HA PHE 66 HA PHE 66 -6.832 1.735 -3.150
539 HD1 PHE 66 HD1 PHE 66 -7.670 3.303 0.339
540 HD2 PHE 66 HD2 PHE 66 -4.257 2.966 -2.172
541 HE1 PHE 66 HE1 PHE 66 -6.336 2.542 2.259
542 HE2 PHE 66 HE2 PHE 66 -2.920 2.206 -0.257
543 HZ PHE 66 HZ PHE 66 -3.958 1.993 1.959
544 HB2 PHE 66 2HB PHE 66 -6.206 4.183 -2.881
545 HB3 PHE 66 1HB PHE 66 -7.619 4.336 -1.841
546 H ALA 67 H ALA 67 -9.892 3.445 -2.757
547 HA ALA 67 HA ALA 67 -10.908 2.148 -0.524
548 HB1 ALA 67 3HB ALA 67 -13.115 2.758 -1.357
549 HB2 ALA 67 1HB ALA 67 -12.434 3.091 -2.949
550 HB3 ALA 67 2HB ALA 67 -11.977 4.088 -1.567
551 H LEU 68 H LEU 68 -10.850 1.136 -3.891
552 HA LEU 68 HA LEU 68 -12.498 -1.157 -3.561
553 HG LEU 68 HG LEU 68 -12.285 1.016 -5.759
554 HB2 LEU 68 2HB LEU 68 -10.390 -0.550 -5.636
555 HB3 LEU 68 1HB LEU 68 -11.507 -1.897 -5.715
556 HD11 LEU 68 1HD1 LEU 68 -12.223 -1.044 -7.956
557 HD12 LEU 68 2HD1 LEU 68 -11.157 0.350 -7.800
558 HD13 LEU 68 3HD1 LEU 68 -12.880 0.586 -8.094
559 HD21 LEU 68 3HD2 LEU 68 -14.006 -0.358 -4.731
560 HD22 LEU 68 1HD2 LEU 68 -13.946 -1.480 -6.090
561 HD23 LEU 68 2HD2 LEU 68 -14.515 0.170 -6.334
562 H TRP 69 H TRP 69 -8.996 -0.635 -3.572
563 HA TRP 69 HA TRP 69 -8.139 -3.269 -3.320
564 HD1 TRP 69 HD1 TRP 69 -8.086 -1.544 -5.263
565 HE1 TRP 69 HE1 TRP 69 -6.556 -0.641 -7.119
566 HE3 TRP 69 HE3 TRP 69 -3.848 -0.822 -2.514
567 HZ2 TRP 69 HZ2 TRP 69 -3.884 0.244 -7.378
568 HZ3 TRP 69 HZ3 TRP 69 -1.848 0.060 -3.637
569 HH2 TRP 69 HH2 TRP 69 -1.868 0.576 -6.019
570 HB2 TRP 69 2HB TRP 69 -6.927 -0.810 -2.037
571 HB3 TRP 69 1HB TRP 69 -6.114 -2.357 -2.223
572 H ARG 70 H ARG 70 -8.909 -0.968 -0.702
573 HA ARG 70 HA ARG 70 -8.454 -2.879 1.345
574 HE ARG 70 HE ARG 70 -11.353 2.564 1.138
575 HB2 ARG 70 2HB ARG 70 -9.653 -1.250 2.829
576 HB3 ARG 70 1HB ARG 70 -8.259 -0.614 1.977
577 HG2 ARG 70 2HG ARG 70 -9.789 0.421 0.330
578 HG3 ARG 70 1HG ARG 70 -11.153 -0.143 1.304
579 HD2 ARG 70 2HD ARG 70 -10.512 1.194 3.141
580 HD3 ARG 70 1HD ARG 70 -8.934 1.520 2.438
581 HH11 ARG 70 1HH1 ARG 70 -8.424 3.066 2.948
582 HH12 ARG 70 2HH1 ARG 70 -8.275 4.751 2.532
583 HH21 ARG 70 1HH2 ARG 70 -11.150 4.801 0.538
584 HH22 ARG 70 2HH2 ARG 70 -9.790 5.712 1.125
585 H SER 71 H SER 71 -11.284 -2.023 -0.525
586 HA SER 71 HA SER 71 -13.182 -3.363 1.086
587 HG SER 71 HG SER 71 -13.262 -0.896 -0.776
588 HB2 SER 71 2HB SER 71 -13.210 -2.803 -1.889
589 HB3 SER 71 1HB SER 71 -14.595 -3.386 -0.967
590 H ALA 72 H ALA 72 -10.945 -4.451 -1.377
591 HA ALA 72 HA ALA 72 -12.100 -7.112 -1.453
592 HB1 ALA 72 3HB ALA 72 -11.212 -6.114 -3.494
593 HB2 ALA 72 1HB ALA 72 -10.358 -7.602 -3.082
594 HB3 ALA 72 2HB ALA 72 -9.608 -6.037 -2.765
595 H VAL 73 H VAL 73 -9.077 -5.620 -0.302
596 HA VAL 73 HA VAL 73 -7.975 -8.150 0.483
597 HB VAL 73 HB VAL 73 -6.990 -5.354 1.066
598 HG11 VAL 73 1HG1 VAL 73 -6.105 -6.972 2.672
599 HG12 VAL 73 2HG1 VAL 73 -4.842 -6.412 1.577
600 HG13 VAL 73 3HG1 VAL 73 -5.568 -8.003 1.345
601 HG21 VAL 73 3HG2 VAL 73 -7.059 -5.850 -1.319
602 HG22 VAL 73 1HG2 VAL 73 -6.158 -7.341 -1.047
603 HG23 VAL 73 2HG2 VAL 73 -5.392 -5.783 -0.744
604 H ALA 74 H ALA 74 -9.308 -5.367 2.289
605 HA ALA 74 HA ALA 74 -8.665 -6.487 4.826
606 HB1 ALA 74 3HB ALA 74 -8.980 -4.079 4.514
607 HB2 ALA 74 1HB ALA 74 -10.035 -4.722 5.772
608 HB3 ALA 74 2HB ALA 74 -10.690 -4.353 4.177
609 H ALA 75 H ALA 75 -11.624 -6.369 2.892
610 HA ALA 75 HA ALA 75 -13.126 -7.890 4.841
611 HB1 ALA 75 3HB ALA 75 -14.201 -6.114 3.534
612 HB2 ALA 75 1HB ALA 75 -14.977 -7.675 3.273
613 HB3 ALA 75 2HB ALA 75 -13.885 -7.020 2.054
614 H HIS 76 H HIS 76 -10.745 -8.860 3.025
615 HA HIS 76 HA HIS 76 -11.826 -11.056 1.557
616 HD1 HIS 76 HD1 HIS 76 -8.225 -13.130 2.220
617 HD2 HIS 76 HD2 HIS 76 -10.240 -11.588 -1.077
618 HE1 HIS 76 HE1 HIS 76 -7.882 -14.800 0.368
619 HE2 HIS 76 HE2 HIS 76 -8.929 -13.742 -1.667
620 HB2 HIS 76 2HB HIS 76 -9.599 -9.892 1.151
621 HB3 HIS 76 1HB HIS 76 -8.990 -10.753 2.555
622 H GLY 77 H GLY 77 -12.955 -12.514 2.698
623 HA2 GLY 77 2HA GLY 77 -13.249 -14.351 4.072
624 HA3 GLY 77 1HA GLY 77 -11.577 -14.182 4.591
625 H GLU 78 H GLU 78 -14.173 -11.791 4.761
626 HA GLU 78 HA GLU 78 -13.505 -11.035 7.412
627 HB2 GLU 78 2HB GLU 78 -15.496 -9.610 7.299
628 HB3 GLU 78 1HB GLU 78 -14.532 -9.470 5.834
629 HG2 GLU 78 2HG GLU 78 -16.059 -10.858 4.621
630 HG3 GLU 78 1HG GLU 78 -16.964 -11.222 6.089
631 H LYS 79 H LYS 79 -15.412 -13.545 6.164
632 HA LYS 79 HA LYS 79 -17.277 -13.715 8.341
633 HB2 LYS 79 2HB LYS 79 -17.969 -15.832 7.259
634 HB3 LYS 79 1HB LYS 79 -17.966 -14.466 6.153
635 HG2 LYS 79 2HG LYS 79 -15.822 -15.207 5.240
636 HG3 LYS 79 1HG LYS 79 -15.824 -16.577 6.352
637 HD2 LYS 79 2HD LYS 79 -17.859 -16.038 4.187
638 HD3 LYS 79 1HD LYS 79 -16.578 -17.251 4.135
639 HE2 LYS 79 2HE LYS 79 -17.574 -18.351 6.099
640 HE3 LYS 79 1HE LYS 79 -18.876 -17.164 6.083
641 HZ1 LYS 79 3HZ LYS 79 -19.603 -19.157 5.005
642 HZ2 LYS 79 1HZ LYS 79 -18.266 -19.143 3.960
643 HZ3 LYS 79 2HZ LYS 79 -19.451 -17.939 3.833
644 H ALA 80 H ALA 80 -14.054 -14.582 7.992
645 HA ALA 80 HA ALA 80 -14.302 -16.761 9.958
646 HB1 ALA 80 3HB ALA 80 -11.983 -16.132 8.135
647 HB2 ALA 80 1HB ALA 80 -13.192 -17.386 7.859
648 HB3 ALA 80 2HB ALA 80 -12.101 -17.503 9.239
649 H LEU 81 H LEU 81 -14.324 -15.671 11.882
650 HA LEU 81 HA LEU 81 -12.268 -13.638 12.318
651 HG LEU 81 HG LEU 81 -13.943 -11.874 12.312
652 HB2 LEU 81 2HB LEU 81 -14.761 -14.319 13.863
653 HB3 LEU 81 1HB LEU 81 -13.544 -13.218 14.470
654 HD11 LEU 81 1HD1 LEU 81 -16.496 -13.476 12.347
655 HD12 LEU 81 2HD1 LEU 81 -15.215 -13.630 11.145
656 HD13 LEU 81 3HD1 LEU 81 -16.116 -12.121 11.284
657 HD21 LEU 81 3HD2 LEU 81 -15.873 -10.728 13.317
658 HD22 LEU 81 1HD2 LEU 81 -14.613 -11.090 14.497
659 HD23 LEU 81 2HD2 LEU 81 -16.071 -12.080 14.434
660 H LYS 82 H LYS 82 -10.515 -15.084 12.529
661 HA LYS 82 HA LYS 82 -10.441 -16.739 14.914
662 HB2 LYS 82 2HB LYS 82 -9.243 -17.330 12.743
663 HB3 LYS 82 1HB LYS 82 -8.128 -16.021 13.103
664 HG2 LYS 82 2HG LYS 82 -7.146 -18.095 13.795
665 HG3 LYS 82 1HG LYS 82 -7.551 -17.152 15.229
666 HD2 LYS 82 2HD LYS 82 -9.676 -18.465 15.395
667 HD3 LYS 82 1HD LYS 82 -9.075 -19.487 14.089
668 HE2 LYS 82 2HE LYS 82 -7.746 -19.073 16.767
669 HE3 LYS 82 1HE LYS 82 -8.666 -20.493 16.281
670 HZ1 LYS 82 3HZ LYS 82 -6.086 -19.555 15.149
671 HZ2 LYS 82 1HZ LYS 82 -7.014 -20.805 14.468
672 HZ3 LYS 82 2HZ LYS 82 -6.372 -20.976 16.027
673 H VAL 83 H VAL 83 -8.700 -16.322 16.554
674 HA VAL 83 HA VAL 83 -9.006 -13.938 17.827
675 HB VAL 83 HB VAL 83 -8.048 -15.860 18.923
676 HG11 VAL 83 1HG1 VAL 83 -5.715 -16.525 18.591
677 HG12 VAL 83 2HG1 VAL 83 -5.575 -15.357 17.277
678 HG13 VAL 83 3HG1 VAL 83 -6.673 -16.729 17.124
679 HG21 VAL 83 3HG2 VAL 83 -6.154 -13.514 18.995
680 HG22 VAL 83 1HG2 VAL 83 -6.280 -14.773 20.223
681 HG23 VAL 83 2HG2 VAL 83 -7.637 -13.685 19.933
682 H THR 84 H THR 84 -6.491 -14.660 15.441
683 HA THR 84 HA THR 84 -5.181 -12.126 15.814
684 HB THR 84 HB THR 84 -4.774 -14.069 13.545
685 HG1 THR 84 HG1 THR 84 -3.937 -14.149 16.258
686 HG21 THR 84 3HG2 THR 84 -2.907 -12.112 14.900
687 HG22 THR 84 1HG2 THR 84 -3.654 -11.893 13.317
688 HG23 THR 84 2HG2 THR 84 -2.484 -13.188 13.571
689 H MET 85 H MET 85 -7.857 -13.224 14.034
690 HA MET 85 HA MET 85 -7.537 -11.606 11.694
691 HB2 MET 85 2HB MET 85 -8.946 -13.747 11.939
692 HB3 MET 85 1HB MET 85 -10.148 -12.718 12.709
693 HG2 MET 85 2HG MET 85 -10.743 -12.960 10.420
694 HG3 MET 85 1HG MET 85 -10.178 -11.309 10.665
695 HE1 MET 85 3HE MET 85 -8.077 -14.645 10.317
696 HE2 MET 85 1HE MET 85 -7.730 -14.631 8.588
697 HE3 MET 85 2HE MET 85 -9.389 -14.832 9.152
698 H ILE 86 H ILE 86 -8.814 -11.109 14.863
699 HA ILE 86 HA ILE 86 -10.580 -8.992 14.332
700 HB ILE 86 HB ILE 86 -9.043 -9.694 16.832
701 HG12 ILE 86 2HG1 ILE 86 -11.593 -10.081 17.488
702 HG13 ILE 86 1HG1 ILE 86 -11.757 -10.268 15.743
703 HG21 ILE 86 1HG2 ILE 86 -10.516 -8.151 18.048
704 HG22 ILE 86 2HG2 ILE 86 -11.171 -7.585 16.512
705 HG23 ILE 86 3HG2 ILE 86 -9.475 -7.308 16.901
706 HD11 ILE 86 3HD1 ILE 86 -9.947 -11.865 17.531
707 HD12 ILE 86 1HD1 ILE 86 -10.081 -12.042 15.782
708 HD13 ILE 86 2HD1 ILE 86 -11.465 -12.409 16.815
709 H GLN 87 H GLN 87 -7.139 -9.130 14.409
710 HA GLN 87 HA GLN 87 -6.484 -6.485 14.999
711 HB2 GLN 87 2HB GLN 87 -4.823 -8.276 14.848
712 HB3 GLN 87 1HB GLN 87 -5.087 -8.387 13.113
713 HG2 GLN 87 2HG GLN 87 -4.221 -6.150 12.803
714 HG3 GLN 87 1HG GLN 87 -4.039 -5.955 14.546
715 HE21 GLN 87 1HE2 GLN 87 -3.079 -8.653 14.973
716 HE22 GLN 87 2HE2 GLN 87 -1.460 -8.708 14.355
717 H LYS 88 H LYS 88 -7.415 -7.963 11.896
718 HA LYS 88 HA LYS 88 -6.818 -5.611 10.388
719 HB2 LYS 88 2HB LYS 88 -7.850 -6.703 8.506
720 HB3 LYS 88 1HB LYS 88 -6.877 -7.882 9.370
721 HG2 LYS 88 2HG LYS 88 -8.770 -8.954 10.256
722 HG3 LYS 88 1HG LYS 88 -9.834 -7.620 9.813
723 HD2 LYS 88 2HD LYS 88 -10.121 -9.537 8.317
724 HD3 LYS 88 1HD LYS 88 -9.512 -8.127 7.450
725 HE2 LYS 88 2HE LYS 88 -7.276 -9.035 7.462
726 HE3 LYS 88 1HE LYS 88 -7.796 -10.393 8.458
727 HZ1 LYS 88 3HZ LYS 88 -7.612 -11.037 6.148
728 HZ2 LYS 88 1HZ LYS 88 -8.706 -9.828 5.687
729 HZ3 LYS 88 2HZ LYS 88 -9.228 -11.120 6.646
730 H TYR 89 H TYR 89 -9.348 -6.408 12.463
731 HA TYR 89 HA TYR 89 -11.245 -4.637 11.116
732 HD1 TYR 89 HD2 TYR 89 -12.532 -6.061 9.970
733 HD2 TYR 89 HD1 TYR 89 -11.994 -8.596 13.338
734 HE1 TYR 89 HE2 TYR 89 -12.970 -8.023 8.556
735 HE2 TYR 89 HE1 TYR 89 -12.422 -10.568 11.935
736 HH TYR 89 HH TYR 89 -13.642 -11.058 9.774
737 HB2 TYR 89 2HB TYR 89 -11.629 -6.343 13.587
738 HB3 TYR 89 1HB TYR 89 -12.886 -5.447 12.748
739 H ARG 90 H ARG 90 -9.355 -4.917 14.078
740 HA ARG 90 HA ARG 90 -10.553 -2.518 15.195
741 HE ARG 90 HE ARG 90 -12.896 -3.935 15.875
742 HB2 ARG 90 2HB ARG 90 -8.433 -4.395 16.235
743 HB3 ARG 90 1HB ARG 90 -9.000 -2.982 17.111
744 HG2 ARG 90 2HG ARG 90 -10.781 -5.244 16.239
745 HG3 ARG 90 1HG ARG 90 -10.017 -5.139 17.821
746 HD2 ARG 90 2HD ARG 90 -12.149 -4.285 18.188
747 HD3 ARG 90 1HD ARG 90 -11.152 -2.846 18.001
748 HH11 ARG 90 1HH1 ARG 90 -11.380 -1.232 17.532
749 HH12 ARG 90 2HH1 ARG 90 -12.212 -0.029 16.580
750 HH21 ARG 90 1HH2 ARG 90 -14.024 -2.355 14.678
751 HH22 ARG 90 2HH2 ARG 90 -13.748 -0.667 14.992
752 H GLN 91 H GLN 91 -7.606 -3.447 13.569
753 HA GLN 91 HA GLN 91 -6.255 -0.972 14.264
754 HB2 GLN 91 2HB GLN 91 -5.062 -3.179 13.964
755 HB3 GLN 91 1HB GLN 91 -5.430 -3.073 12.249
756 HG2 GLN 91 2HG GLN 91 -4.125 -1.020 12.090
757 HG3 GLN 91 1HG GLN 91 -3.756 -1.117 13.813
758 HE21 GLN 91 1HE2 GLN 91 -1.537 -1.275 13.490
759 HE22 GLN 91 2HE2 GLN 91 -0.801 -2.707 12.841
760 H LEU 92 H LEU 92 -8.530 -2.012 12.087
761 HA LEU 92 HA LEU 92 -7.810 -0.486 9.797
762 HG LEU 92 HG LEU 92 -9.687 -0.410 8.060
763 HB2 LEU 92 2HB LEU 92 -9.228 -2.470 9.652
764 HB3 LEU 92 1HB LEU 92 -10.442 -1.700 10.650
765 HD11 LEU 92 1HD1 LEU 92 -10.014 -2.756 7.477
766 HD12 LEU 92 2HD1 LEU 92 -11.366 -1.779 6.906
767 HD13 LEU 92 3HD1 LEU 92 -11.545 -2.771 8.353
768 HD21 LEU 92 3HD2 LEU 92 -11.223 0.718 9.601
769 HD22 LEU 92 1HD2 LEU 92 -12.283 -0.689 9.574
770 HD23 LEU 92 2HD2 LEU 92 -12.035 0.254 8.105
771 H HIS 93 H HIS 93 -7.844 1.634 9.703
772 HA HIS 93 HA HIS 93 -9.835 3.119 11.244
773 HD1 HIS 93 HD1 HIS 93 -5.705 3.116 11.588
774 HD2 HIS 93 HD2 HIS 93 -6.928 4.415 7.821
775 HE1 HIS 93 HE1 HIS 93 -3.724 2.787 10.080
776 HE2 HIS 93 HE2 HIS 93 -4.480 3.548 7.808
777 HB2 HIS 93 2HB HIS 93 -8.442 5.117 10.166
778 HB3 HIS 93 1HB HIS 93 -7.918 4.307 11.634
779 H HIS 94 H HIS 94 -11.507 4.119 10.314
780 HA HIS 94 HA HIS 94 -12.190 3.098 7.711
781 HD1 HIS 94 HD1 HIS 94 -15.079 6.214 7.946
782 HD2 HIS 94 HD2 HIS 94 -15.270 2.109 7.269
783 HE1 HIS 94 HE1 HIS 94 -16.894 5.887 6.231
784 HE2 HIS 94 HE2 HIS 94 -17.112 3.389 5.972
785 HB2 HIS 94 2HB HIS 94 -13.833 3.082 9.518
786 HB3 HIS 94 1HB HIS 94 -13.745 4.834 9.641
787 H HIS 95 H HIS 95 -12.378 4.148 5.833
788 HA HIS 95 HA HIS 95 -12.499 7.053 5.793
789 HD1 HIS 95 HD1 HIS 95 -10.368 9.066 5.343
790 HD2 HIS 95 HD2 HIS 95 -10.860 6.993 1.778
791 HE1 HIS 95 HE1 HIS 95 -10.219 10.802 3.528
792 HE2 HIS 95 HE2 HIS 95 -10.733 9.546 1.397
793 HB2 HIS 95 2HB HIS 95 -10.088 6.458 5.520
794 HB3 HIS 95 1HB HIS 95 -10.513 5.521 4.091
Start of MODEL 16
1 HA MET 1 HA MET 1 18.529 20.510 10.398
2 H1 MET 1 1H MET 1 19.195 19.003 8.616
3 H2 MET 1 2H MET 1 20.499 19.892 9.228
4 H3 MET 1 3H MET 1 19.817 20.313 7.739
5 HB2 MET 1 2HB MET 1 19.493 22.578 8.419
6 HB3 MET 1 1HB MET 1 18.426 22.952 9.763
7 HG2 MET 1 2HG MET 1 20.159 22.144 11.321
8 HG3 MET 1 1HG MET 1 21.233 21.880 9.945
9 HE1 MET 1 3HE MET 1 21.964 23.695 12.499
10 HE2 MET 1 1HE MET 1 22.750 25.058 11.703
11 HE3 MET 1 2HE MET 1 23.065 23.412 11.151
12 H TYR 2 H TYR 2 18.027 19.911 7.094
13 HA TYR 2 HA TYR 2 15.407 21.214 7.076
14 HD1 TYR 2 HD2 TYR 2 15.645 23.241 5.667
15 HD2 TYR 2 HD1 TYR 2 18.821 20.794 4.240
16 HE1 TYR 2 HE2 TYR 2 17.022 25.248 5.305
17 HE2 TYR 2 HE1 TYR 2 20.207 22.790 3.882
18 HH TYR 2 HH TYR 2 19.375 25.860 5.132
19 HB2 TYR 2 2HB TYR 2 16.841 19.792 4.824
20 HB3 TYR 2 1HB TYR 2 15.373 20.754 4.684
21 H LEU 3 H LEU 3 13.730 20.089 7.750
22 HA LEU 3 HA LEU 3 13.883 17.211 7.937
23 HG LEU 3 HG LEU 3 12.187 18.098 11.057
24 HB2 LEU 3 2HB LEU 3 11.945 19.272 8.892
25 HB3 LEU 3 1HB LEU 3 11.454 17.591 8.825
26 HD11 LEU 3 1HD1 LEU 3 13.970 16.449 11.338
27 HD12 LEU 3 2HD1 LEU 3 14.270 16.476 9.601
28 HD13 LEU 3 3HD1 LEU 3 12.728 15.882 10.220
29 HD21 LEU 3 3HD2 LEU 3 13.598 20.029 10.563
30 HD22 LEU 3 1HD2 LEU 3 14.804 18.968 9.838
31 HD23 LEU 3 2HD2 LEU 3 14.450 18.850 11.563
32 H LYS 4 H LYS 4 14.090 17.540 5.415
33 HA LYS 4 HA LYS 4 11.523 17.377 4.086
34 HB2 LYS 4 2HB LYS 4 13.375 18.379 2.873
35 HB3 LYS 4 1HB LYS 4 14.357 16.942 3.112
36 HG2 LYS 4 2HG LYS 4 12.834 15.659 1.698
37 HG3 LYS 4 1HG LYS 4 11.836 17.096 1.466
38 HD2 LYS 4 2HD LYS 4 14.753 16.948 0.721
39 HD3 LYS 4 1HD LYS 4 13.435 16.604 -0.401
40 HE2 LYS 4 2HE LYS 4 13.755 19.199 1.098
41 HE3 LYS 4 1HE LYS 4 14.330 18.929 -0.547
42 HZ1 LYS 4 3HZ LYS 4 12.020 18.409 -1.180
43 HZ2 LYS 4 1HZ LYS 4 12.204 19.997 -0.611
44 HZ3 LYS 4 2HZ LYS 4 11.508 18.815 0.385
45 H ARG 5 H ARG 5 13.997 15.303 5.368
46 HA ARG 5 HA ARG 5 12.784 12.917 4.280
47 HE ARG 5 HE ARG 5 17.085 13.085 6.317
48 HB2 ARG 5 2HB ARG 5 15.131 13.313 6.125
49 HB3 ARG 5 1HB ARG 5 14.561 11.739 5.571
50 HG2 ARG 5 2HG ARG 5 15.024 12.247 3.331
51 HG3 ARG 5 1HG ARG 5 15.276 13.946 3.700
52 HD2 ARG 5 2HD ARG 5 17.038 11.598 4.383
53 HD3 ARG 5 1HD ARG 5 17.438 12.994 3.385
54 HH11 ARG 5 1HH1 ARG 5 18.462 14.372 3.372
55 HH12 ARG 5 2HH1 ARG 5 19.616 15.372 4.195
56 HH21 ARG 5 1HH2 ARG 5 18.612 14.407 7.414
57 HH22 ARG 5 2HH2 ARG 5 19.721 15.382 6.488
58 H VAL 6 H VAL 6 10.880 12.773 5.069
59 HA VAL 6 HA VAL 6 10.323 12.931 7.905
60 HB VAL 6 HB VAL 6 8.444 12.012 5.720
61 HG11 VAL 6 1HG1 VAL 6 7.696 11.435 7.952
62 HG12 VAL 6 2HG1 VAL 6 6.695 12.728 7.293
63 HG13 VAL 6 3HG1 VAL 6 7.940 13.097 8.488
64 HG21 VAL 6 3HG2 VAL 6 8.861 14.799 6.794
65 HG22 VAL 6 1HG2 VAL 6 7.602 14.306 5.665
66 HG23 VAL 6 2HG2 VAL 6 9.297 14.230 5.181
67 H ASP 7 H ASP 7 11.553 11.285 8.782
68 HA ASP 7 HA ASP 7 11.079 8.557 7.832
69 HB2 ASP 7 2HB ASP 7 13.426 9.563 8.248
70 HB3 ASP 7 1HB ASP 7 13.061 9.362 9.958
71 H GLY 8 H GLY 8 11.416 7.019 9.993
72 HA2 GLY 8 2HA GLY 8 10.410 7.284 12.398
73 HA3 GLY 8 1HA GLY 8 8.946 7.575 11.468
74 HA PRO 9 HA PRO 9 8.564 3.117 11.694
75 HB2 PRO 9 2HB PRO 9 6.228 2.922 10.337
76 HB3 PRO 9 1HB PRO 9 6.311 3.437 12.027
77 HG2 PRO 9 2HG PRO 9 6.021 5.093 9.554
78 HG3 PRO 9 1HG PRO 9 5.215 5.270 11.124
79 HD2 PRO 9 2HD PRO 9 7.345 6.787 10.351
80 HD3 PRO 9 1HD PRO 9 6.992 6.393 12.043
81 H ARG 10 H ARG 10 10.315 2.581 10.356
82 HA ARG 10 HA ARG 10 10.094 2.865 7.483
83 HE ARG 10 HE ARG 10 14.148 5.489 8.273
84 HB2 ARG 10 2HB ARG 10 12.191 1.601 9.248
85 HB3 ARG 10 1HB ARG 10 12.290 1.613 7.493
86 HG2 ARG 10 2HG ARG 10 12.294 4.059 7.518
87 HG3 ARG 10 1HG ARG 10 12.215 4.033 9.281
88 HD2 ARG 10 2HD ARG 10 14.353 2.895 9.390
89 HD3 ARG 10 1HD ARG 10 14.419 2.804 7.631
90 HH11 ARG 10 1HH1 ARG 10 16.488 2.947 8.897
91 HH12 ARG 10 2HH1 ARG 10 17.845 4.032 8.929
92 HH21 ARG 10 1HH2 ARG 10 15.914 6.898 8.310
93 HH22 ARG 10 2HH2 ARG 10 17.518 6.289 8.587
94 H GLN 11 H GLN 11 9.410 0.498 9.865
95 HA GLN 11 HA GLN 11 8.546 -1.344 7.769
96 HB2 GLN 11 2HB GLN 11 9.493 -3.282 8.974
97 HB3 GLN 11 1HB GLN 11 10.737 -2.189 8.384
98 HG2 GLN 11 2HG GLN 11 11.151 -1.341 10.548
99 HG3 GLN 11 1HG GLN 11 9.702 -2.101 11.201
100 HE21 GLN 11 1HE2 GLN 11 11.856 -3.723 8.981
101 HE22 GLN 11 2HE2 GLN 11 12.479 -4.864 10.123
102 H VAL 12 H VAL 12 6.726 -2.471 8.240
103 HA VAL 12 HA VAL 12 5.698 -2.305 10.992
104 HB VAL 12 HB VAL 12 3.386 -2.315 10.035
105 HG11 VAL 12 1HG1 VAL 12 4.380 -0.266 10.881
106 HG12 VAL 12 2HG1 VAL 12 3.350 0.066 9.487
107 HG13 VAL 12 3HG1 VAL 12 5.105 0.049 9.305
108 HG21 VAL 12 3HG2 VAL 12 3.068 -1.621 7.709
109 HG22 VAL 12 1HG2 VAL 12 3.908 -3.168 7.810
110 HG23 VAL 12 2HG2 VAL 12 4.811 -1.696 7.445
111 H THR 13 H THR 13 4.537 -4.113 11.720
112 HA THR 13 HA THR 13 5.335 -6.565 10.389
113 HB THR 13 HB THR 13 3.872 -6.287 13.018
114 HG1 THR 13 HG1 THR 13 6.682 -6.638 12.682
115 HG21 THR 13 3HG2 THR 13 4.784 -8.511 13.472
116 HG22 THR 13 1HG2 THR 13 5.589 -8.516 11.905
117 HG23 THR 13 2HG2 THR 13 3.828 -8.535 11.989
118 H LEU 14 H LEU 14 4.031 -7.774 9.202
119 HA LEU 14 HA LEU 14 1.223 -7.181 8.934
120 HG LEU 14 HG LEU 14 2.413 -8.522 5.622
121 HB2 LEU 14 2HB LEU 14 2.925 -9.447 7.873
122 HB3 LEU 14 1HB LEU 14 1.221 -9.275 7.524
123 HD11 LEU 14 1HD1 LEU 14 1.543 -6.086 7.155
124 HD12 LEU 14 2HD1 LEU 14 0.484 -7.161 6.242
125 HD13 LEU 14 3HD1 LEU 14 1.718 -6.220 5.403
126 HD21 LEU 14 3HD2 LEU 14 4.572 -8.155 6.758
127 HD22 LEU 14 1HD2 LEU 14 3.945 -6.632 7.388
128 HD23 LEU 14 2HD2 LEU 14 4.133 -6.858 5.649
129 HA PRO 15 HA PRO 15 -0.039 -10.114 12.106
130 HB2 PRO 15 2HB PRO 15 -2.628 -10.427 11.364
131 HB3 PRO 15 1HB PRO 15 -2.054 -8.985 12.207
132 HG2 PRO 15 2HG PRO 15 -2.656 -9.381 9.317
133 HG3 PRO 15 1HG PRO 15 -2.929 -7.958 10.338
134 HD2 PRO 15 2HD PRO 15 -0.836 -8.236 8.570
135 HD3 PRO 15 1HD PRO 15 -0.817 -7.156 9.975
136 H ASP 16 H ASP 16 0.187 -10.465 8.820
137 HA ASP 16 HA ASP 16 -0.516 -13.228 8.522
138 HB2 ASP 16 2HB ASP 16 1.351 -11.596 6.783
139 HB3 ASP 16 1HB ASP 16 0.414 -13.006 6.315
140 H GLY 17 H GLY 17 1.954 -11.552 10.043
141 HA2 GLY 17 2HA GLY 17 3.806 -12.381 11.167
142 HA3 GLY 17 1HA GLY 17 3.584 -13.923 10.356
143 H THR 18 H THR 18 4.086 -10.623 9.168
144 HA THR 18 HA THR 18 6.547 -11.461 7.829
145 HB THR 18 HB THR 18 4.328 -10.080 6.302
146 HG1 THR 18 HG1 THR 18 4.949 -12.859 6.518
147 HG21 THR 18 3HG2 THR 18 6.809 -11.538 5.379
148 HG22 THR 18 1HG2 THR 18 6.579 -9.787 5.384
149 HG23 THR 18 2HG2 THR 18 5.595 -10.804 4.331
150 H VAL 19 H VAL 19 7.670 -9.504 6.847
151 HA VAL 19 HA VAL 19 7.085 -7.089 8.434
152 HB VAL 19 HB VAL 19 9.716 -7.937 7.198
153 HG11 VAL 19 1HG1 VAL 19 10.667 -6.050 8.464
154 HG12 VAL 19 2HG1 VAL 19 9.040 -5.567 8.939
155 HG13 VAL 19 3HG1 VAL 19 9.512 -5.521 7.240
156 HG21 VAL 19 3HG2 VAL 19 10.471 -8.244 9.509
157 HG22 VAL 19 1HG2 VAL 19 9.134 -9.323 9.108
158 HG23 VAL 19 2HG2 VAL 19 8.844 -7.883 10.085
159 H LEU 20 H LEU 20 6.462 -5.319 7.381
160 HA LEU 20 HA LEU 20 6.980 -5.158 4.483
161 HG LEU 20 HG LEU 20 5.153 -2.468 4.356
162 HB2 LEU 20 2HB LEU 20 4.622 -5.390 4.873
163 HB3 LEU 20 1HB LEU 20 4.643 -4.143 6.102
164 HD11 LEU 20 1HD1 LEU 20 6.279 -3.910 2.749
165 HD12 LEU 20 2HD1 LEU 20 4.912 -3.084 1.999
166 HD13 LEU 20 3HD1 LEU 20 4.770 -4.780 2.458
167 HD21 LEU 20 3HD2 LEU 20 2.857 -2.848 5.034
168 HD22 LEU 20 1HD2 LEU 20 2.707 -4.158 3.858
169 HD23 LEU 20 2HD2 LEU 20 2.935 -2.499 3.307
170 H SER 21 H SER 21 8.626 -3.830 4.204
171 HA SER 21 HA SER 21 8.879 -1.488 5.937
172 HG SER 21 HG SER 21 10.642 -3.973 4.007
173 HB2 SER 21 2HB SER 21 11.174 -1.332 4.886
174 HB3 SER 21 1HB SER 21 10.886 -2.771 5.856
175 H ARG 22 H ARG 22 9.590 0.556 4.894
176 HA ARG 22 HA ARG 22 7.739 1.336 2.906
177 HE ARG 22 HE ARG 22 6.965 4.490 6.523
178 HB2 ARG 22 2HB ARG 22 10.178 2.688 4.045
179 HB3 ARG 22 1HB ARG 22 9.135 3.454 2.852
180 HG2 ARG 22 2HG ARG 22 7.257 3.332 4.355
181 HG3 ARG 22 1HG ARG 22 8.225 2.449 5.535
182 HD2 ARG 22 2HD ARG 22 9.615 4.334 5.926
183 HD3 ARG 22 1HD ARG 22 8.918 5.207 4.559
184 HH11 ARG 22 1HH1 ARG 22 9.424 6.855 5.732
185 HH12 ARG 22 2HH1 ARG 22 8.686 8.123 6.656
186 HH21 ARG 22 1HH2 ARG 22 5.986 6.142 7.724
187 HH22 ARG 22 2HH2 ARG 22 6.725 7.720 7.797
188 H ALA 23 H ALA 23 11.001 0.170 2.762
189 HA ALA 23 HA ALA 23 11.390 0.924 0.007
190 HB1 ALA 23 3HB ALA 23 13.002 -0.921 1.761
191 HB2 ALA 23 1HB ALA 23 13.281 0.807 1.558
192 HB3 ALA 23 2HB ALA 23 13.494 -0.286 0.191
193 H ASP 24 H ASP 24 9.644 -1.465 1.545
194 HA ASP 24 HA ASP 24 10.115 -3.498 -0.493
195 HB2 ASP 24 2HB ASP 24 9.866 -3.997 2.007
196 HB3 ASP 24 1HB ASP 24 8.148 -3.683 1.786
197 H LEU 25 H LEU 25 8.135 -0.851 0.032
198 HA LEU 25 HA LEU 25 5.708 -1.611 -1.135
199 HG LEU 25 HG LEU 25 6.156 0.210 1.090
200 HB2 LEU 25 2HB LEU 25 7.178 1.018 -1.062
201 HB3 LEU 25 1HB LEU 25 5.603 0.850 -1.809
202 HD11 LEU 25 1HD1 LEU 25 5.043 2.329 1.585
203 HD12 LEU 25 2HD1 LEU 25 4.961 2.690 -0.138
204 HD13 LEU 25 3HD1 LEU 25 6.527 2.581 0.667
205 HD21 LEU 25 3HD2 LEU 25 3.561 0.641 -0.377
206 HD22 LEU 25 1HD2 LEU 25 3.760 0.196 1.317
207 HD23 LEU 25 2HD2 LEU 25 4.226 -0.935 0.048
208 HA PRO 26 HA PRO 26 6.640 -2.186 -5.418
209 HB2 PRO 26 2HB PRO 26 4.348 -1.259 -6.572
210 HB3 PRO 26 1HB PRO 26 4.449 -2.810 -5.735
211 HG2 PRO 26 2HG PRO 26 3.409 -0.188 -4.751
212 HG3 PRO 26 1HG PRO 26 2.739 -1.816 -4.530
213 HD2 PRO 26 2HD PRO 26 4.158 -0.549 -2.602
214 HD3 PRO 26 1HD PRO 26 4.191 -2.311 -2.806
215 HA PRO 27 HA PRO 27 8.432 1.577 -6.831
216 HB2 PRO 27 2HB PRO 27 8.625 1.056 -9.503
217 HB3 PRO 27 1HB PRO 27 9.689 0.332 -8.291
218 HG2 PRO 27 2HG PRO 27 7.225 -0.809 -9.572
219 HG3 PRO 27 1HG PRO 27 8.802 -1.583 -9.302
220 HD2 PRO 27 2HD PRO 27 6.730 -2.053 -7.678
221 HD3 PRO 27 1HD PRO 27 8.383 -1.915 -7.040
222 H LEU 28 H LEU 28 8.046 3.477 -8.076
223 HA LEU 28 HA LEU 28 5.283 4.151 -8.331
224 HG LEU 28 HG LEU 28 7.901 5.327 -6.880
225 HB2 LEU 28 2HB LEU 28 7.697 5.689 -9.299
226 HB3 LEU 28 1HB LEU 28 6.081 6.333 -9.073
227 HD11 LEU 28 1HD1 LEU 28 7.030 8.123 -7.599
228 HD12 LEU 28 2HD1 LEU 28 8.641 7.445 -7.839
229 HD13 LEU 28 3HD1 LEU 28 8.012 7.670 -6.208
230 HD21 LEU 28 3HD2 LEU 28 5.544 4.927 -6.375
231 HD22 LEU 28 1HD2 LEU 28 5.180 6.618 -6.716
232 HD23 LEU 28 2HD2 LEU 28 6.212 6.199 -5.350
233 H ASP 29 H ASP 29 7.431 2.613 -10.376
234 HA ASP 29 HA ASP 29 6.342 3.498 -12.885
235 HB2 ASP 29 2HB ASP 29 8.663 2.692 -12.734
236 HB3 ASP 29 1HB ASP 29 8.089 1.113 -12.212
237 H THR 30 H THR 30 5.112 1.699 -10.453
238 HA THR 30 HA THR 30 3.938 -0.393 -12.057
239 HB THR 30 HB THR 30 3.560 0.243 -9.130
240 HG1 THR 30 HG1 THR 30 5.597 -0.465 -9.304
241 HG21 THR 30 3HG2 THR 30 2.782 -2.187 -10.744
242 HG22 THR 30 1HG2 THR 30 1.674 -1.025 -10.015
243 HG23 THR 30 2HG2 THR 30 2.675 -2.051 -8.988
244 H ARG 31 H ARG 31 2.633 0.865 -13.486
245 HA ARG 31 HA ARG 31 0.077 1.613 -12.249
246 HE ARG 31 HE ARG 31 -1.850 3.039 -13.912
247 HB2 ARG 31 2HB ARG 31 1.141 1.833 -15.062
248 HB3 ARG 31 1HB ARG 31 -0.571 2.013 -14.709
249 HG2 ARG 31 2HG ARG 31 1.661 3.715 -13.621
250 HG3 ARG 31 1HG ARG 31 0.497 4.176 -14.867
251 HD2 ARG 31 2HD ARG 31 -0.039 3.603 -11.956
252 HD3 ARG 31 1HD ARG 31 -0.235 5.136 -12.808
253 HH11 ARG 31 1HH1 ARG 31 -1.699 5.521 -11.443
254 HH12 ARG 31 2HH1 ARG 31 -3.419 5.547 -11.180
255 HH21 ARG 31 1HH2 ARG 31 -4.104 3.064 -13.573
256 HH22 ARG 31 2HH2 ARG 31 -4.788 4.162 -12.409
257 H ARG 32 H ARG 32 1.764 -0.786 -14.004
258 HA ARG 32 HA ARG 32 -0.371 -2.615 -14.426
259 HE ARG 32 HE ARG 32 5.358 -1.621 -14.658
260 HB2 ARG 32 2HB ARG 32 1.611 -4.273 -14.484
261 HB3 ARG 32 1HB ARG 32 1.558 -3.013 -15.714
262 HG2 ARG 32 2HG ARG 32 3.096 -1.661 -14.267
263 HG3 ARG 32 1HG ARG 32 3.256 -3.078 -13.229
264 HD2 ARG 32 2HD ARG 32 4.315 -4.321 -14.915
265 HD3 ARG 32 1HD ARG 32 3.831 -3.183 -16.176
266 HH11 ARG 32 1HH1 ARG 32 5.900 -4.895 -15.767
267 HH12 ARG 32 2HH1 ARG 32 7.626 -4.706 -15.885
268 HH21 ARG 32 1HH2 ARG 32 7.633 -1.364 -14.777
269 HH22 ARG 32 2HH2 ARG 32 8.612 -2.715 -15.281
270 H TRP 33 H TRP 33 -1.342 -2.173 -12.296
271 HA TRP 33 HA TRP 33 -0.028 -3.056 -9.911
272 HD1 TRP 33 HD1 TRP 33 -2.278 0.363 -11.043
273 HE1 TRP 33 HE1 TRP 33 -1.056 2.236 -9.769
274 HE3 TRP 33 HE3 TRP 33 -0.296 -2.407 -7.233
275 HZ2 TRP 33 HZ2 TRP 33 0.529 2.502 -7.451
276 HZ3 TRP 33 HZ3 TRP 33 1.057 -1.267 -5.525
277 HH2 TRP 33 HH2 TRP 33 1.464 1.138 -5.637
278 HB2 TRP 33 2HB TRP 33 -2.822 -2.123 -10.530
279 HB3 TRP 33 1HB TRP 33 -2.376 -2.723 -8.936
280 H VAL 34 H VAL 34 0.374 -5.141 -9.673
281 HA VAL 34 HA VAL 34 -1.649 -7.124 -10.299
282 HB VAL 34 HB VAL 34 0.001 -8.776 -9.473
283 HG11 VAL 34 1HG1 VAL 34 1.073 -6.832 -11.516
284 HG12 VAL 34 2HG1 VAL 34 -0.036 -8.167 -11.825
285 HG13 VAL 34 3HG1 VAL 34 1.614 -8.497 -11.295
286 HG21 VAL 34 3HG2 VAL 34 2.302 -8.031 -9.001
287 HG22 VAL 34 1HG2 VAL 34 1.143 -7.435 -7.813
288 HG23 VAL 34 2HG2 VAL 34 1.757 -6.355 -9.066
289 H ALA 35 H ALA 35 -2.159 -8.765 -8.586
290 HA ALA 35 HA ALA 35 -3.669 -7.526 -6.628
291 HB1 ALA 35 3HB ALA 35 -4.097 -9.774 -7.484
292 HB2 ALA 35 1HB ALA 35 -4.065 -9.742 -5.723
293 HB3 ALA 35 2HB ALA 35 -2.681 -10.371 -6.619
294 H SER 36 H SER 36 -0.516 -9.134 -6.242
295 HA SER 36 HA SER 36 -0.429 -8.844 -3.433
296 HG SER 36 HG SER 36 1.523 -11.463 -4.448
297 HB2 SER 36 2HB SER 36 1.842 -9.225 -5.391
298 HB3 SER 36 1HB SER 36 1.937 -9.470 -3.647
299 H ARG 37 H ARG 37 0.706 -6.756 -6.050
300 HA ARG 37 HA ARG 37 2.194 -5.014 -4.352
301 HE ARG 37 HE ARG 37 5.485 -5.680 -7.714
302 HB2 ARG 37 2HB ARG 37 1.116 -4.638 -7.143
303 HB3 ARG 37 1HB ARG 37 2.074 -3.422 -6.307
304 HG2 ARG 37 2HG ARG 37 3.869 -5.144 -6.035
305 HG3 ARG 37 1HG ARG 37 2.918 -6.198 -7.078
306 HD2 ARG 37 2HD ARG 37 3.087 -4.616 -8.899
307 HD3 ARG 37 1HD ARG 37 3.942 -3.474 -7.859
308 HH11 ARG 37 1HH1 ARG 37 4.220 -3.858 -10.434
309 HH12 ARG 37 2HH1 ARG 37 5.535 -4.286 -11.482
310 HH21 ARG 37 1HH2 ARG 37 7.196 -6.234 -9.094
311 HH22 ARG 37 2HH2 ARG 37 7.219 -5.633 -10.729
312 H LYS 38 H LYS 38 -1.119 -5.049 -5.548
313 HA LYS 38 HA LYS 38 -1.904 -2.583 -4.405
314 HB2 LYS 38 2HB LYS 38 -3.535 -5.066 -4.970
315 HB3 LYS 38 1HB LYS 38 -4.220 -3.528 -4.472
316 HG2 LYS 38 2HG LYS 38 -3.054 -2.560 -6.540
317 HG3 LYS 38 1HG LYS 38 -2.891 -4.241 -7.056
318 HD2 LYS 38 2HD LYS 38 -5.308 -4.537 -6.878
319 HD3 LYS 38 1HD LYS 38 -5.481 -2.873 -6.329
320 HE2 LYS 38 2HE LYS 38 -4.458 -2.147 -8.498
321 HE3 LYS 38 1HE LYS 38 -4.561 -3.822 -9.037
322 HZ1 LYS 38 3HZ LYS 38 -6.453 -2.619 -9.841
323 HZ2 LYS 38 1HZ LYS 38 -6.830 -2.051 -8.291
324 HZ3 LYS 38 2HZ LYS 38 -6.990 -3.701 -8.648
325 H ALA 39 H ALA 39 -1.851 -5.892 -3.180
326 HA ALA 39 HA ALA 39 -3.130 -5.403 -0.722
327 HB1 ALA 39 3HB ALA 39 -2.877 -7.645 -1.647
328 HB2 ALA 39 1HB ALA 39 -2.204 -7.554 -0.021
329 HB3 ALA 39 2HB ALA 39 -1.131 -7.551 -1.420
330 H ALA 40 H ALA 40 0.271 -5.278 -1.673
331 HA ALA 40 HA ALA 40 1.372 -4.946 0.890
332 HB1 ALA 40 3HB ALA 40 3.335 -4.056 -0.255
333 HB2 ALA 40 1HB ALA 40 2.400 -3.886 -1.740
334 HB3 ALA 40 2HB ALA 40 2.717 -5.489 -1.076
335 H VAL 41 H VAL 41 0.170 -2.578 -1.457
336 HA VAL 41 HA VAL 41 1.000 -0.294 0.002
337 HB VAL 41 HB VAL 41 -1.190 -0.534 -2.068
338 HG11 VAL 41 1HG1 VAL 41 0.241 1.917 -1.045
339 HG12 VAL 41 2HG1 VAL 41 -1.432 1.482 -0.701
340 HG13 VAL 41 3HG1 VAL 41 -0.943 1.875 -2.349
341 HG21 VAL 41 3HG2 VAL 41 1.689 0.310 -2.342
342 HG22 VAL 41 1HG2 VAL 41 0.485 0.293 -3.630
343 HG23 VAL 41 2HG2 VAL 41 1.005 -1.221 -2.891
344 H VAL 42 H VAL 42 -2.127 -1.992 -0.209
345 HA VAL 42 HA VAL 42 -3.488 -0.149 1.441
346 HB VAL 42 HB VAL 42 -4.691 -1.676 -0.066
347 HG11 VAL 42 1HG1 VAL 42 -5.091 -4.002 0.573
348 HG12 VAL 42 2HG1 VAL 42 -3.946 -3.827 1.905
349 HG13 VAL 42 3HG1 VAL 42 -3.389 -3.694 0.236
350 HG21 VAL 42 3HG2 VAL 42 -5.470 -1.946 2.831
351 HG22 VAL 42 1HG2 VAL 42 -6.529 -2.234 1.450
352 HG23 VAL 42 2HG2 VAL 42 -5.892 -0.618 1.751
353 H LYS 43 H LYS 43 -1.753 -3.163 2.197
354 HA LYS 43 HA LYS 43 -2.460 -3.143 4.953
355 HB2 LYS 43 2HB LYS 43 -0.094 -4.433 3.577
356 HB3 LYS 43 1HB LYS 43 -0.540 -4.706 5.258
357 HG2 LYS 43 2HG LYS 43 -2.697 -5.636 4.509
358 HG3 LYS 43 1HG LYS 43 -2.193 -5.409 2.833
359 HD2 LYS 43 2HD LYS 43 -0.320 -6.930 3.170
360 HD3 LYS 43 1HD LYS 43 -0.762 -7.127 4.867
361 HE2 LYS 43 2HE LYS 43 -2.956 -8.042 4.115
362 HE3 LYS 43 1HE LYS 43 -2.366 -7.974 2.455
363 HZ1 LYS 43 3HZ LYS 43 -1.302 -9.640 4.677
364 HZ2 LYS 43 1HZ LYS 43 -0.515 -9.452 3.190
365 HZ3 LYS 43 2HZ LYS 43 -2.041 -10.171 3.248
366 H ALA 44 H ALA 44 0.077 -1.634 3.062
367 HA ALA 44 HA ALA 44 1.785 -0.846 5.144
368 HB1 ALA 44 3HB ALA 44 2.400 -0.711 2.768
369 HB2 ALA 44 1HB ALA 44 2.650 0.822 3.600
370 HB3 ALA 44 2HB ALA 44 1.248 0.607 2.554
371 H VAL 45 H VAL 45 -1.011 0.791 3.700
372 HA VAL 45 HA VAL 45 -0.813 3.123 5.316
373 HB VAL 45 HB VAL 45 -3.226 2.006 3.873
374 HG11 VAL 45 1HG1 VAL 45 -3.886 3.608 5.568
375 HG12 VAL 45 2HG1 VAL 45 -4.076 4.314 3.963
376 HG13 VAL 45 3HG1 VAL 45 -2.701 4.767 4.971
377 HG21 VAL 45 3HG2 VAL 45 -1.202 4.064 2.998
378 HG22 VAL 45 1HG2 VAL 45 -2.648 3.594 2.105
379 HG23 VAL 45 2HG2 VAL 45 -1.355 2.423 2.368
380 H ILE 46 H ILE 46 -2.647 0.120 5.580
381 HA ILE 46 HA ILE 46 -4.188 0.972 7.812
382 HB ILE 46 HB ILE 46 -3.704 -1.765 6.642
383 HG12 ILE 46 2HG1 ILE 46 -6.068 0.121 6.523
384 HG13 ILE 46 1HG1 ILE 46 -4.908 -0.148 5.227
385 HG21 ILE 46 1HG2 ILE 46 -4.267 -2.026 8.998
386 HG22 ILE 46 2HG2 ILE 46 -5.606 -2.546 7.973
387 HG23 ILE 46 3HG2 ILE 46 -5.674 -0.983 8.788
388 HD11 ILE 46 3HD1 ILE 46 -6.803 -2.194 6.356
389 HD12 ILE 46 1HD1 ILE 46 -5.644 -2.468 5.056
390 HD13 ILE 46 2HD1 ILE 46 -6.981 -1.338 4.824
391 H HIS 47 H HIS 47 -1.068 -0.593 7.503
392 HA HIS 47 HA HIS 47 -1.027 -1.227 10.344
393 HD1 HIS 47 HD1 HIS 47 -1.111 -3.515 10.760
394 HD2 HIS 47 HD2 HIS 47 0.399 -4.004 6.911
395 HE1 HIS 47 HE1 HIS 47 -2.068 -5.682 9.925
396 HE2 HIS 47 HE2 HIS 47 -1.204 -5.934 7.569
397 HB2 HIS 47 2HB HIS 47 1.009 -1.688 8.166
398 HB3 HIS 47 1HB HIS 47 1.292 -2.081 9.860
399 H GLY 48 H GLY 48 -0.454 1.471 8.521
400 HA2 GLY 48 2HA GLY 48 0.154 3.547 9.371
401 HA3 GLY 48 1HA GLY 48 0.757 2.751 10.816
402 H LEU 49 H LEU 49 1.766 1.698 7.672
403 HA LEU 49 HA LEU 49 4.516 2.384 8.240
404 HG LEU 49 HG LEU 49 5.542 2.129 5.381
405 HB2 LEU 49 2HB LEU 49 3.874 0.288 7.091
406 HB3 LEU 49 1HB LEU 49 3.236 1.230 5.757
407 HD11 LEU 49 1HD1 LEU 49 7.419 0.942 6.376
408 HD12 LEU 49 2HD1 LEU 49 6.306 -0.017 7.351
409 HD13 LEU 49 3HD1 LEU 49 6.433 1.723 7.614
410 HD21 LEU 49 3HD2 LEU 49 6.374 0.077 4.318
411 HD22 LEU 49 1HD2 LEU 49 4.658 0.341 4.009
412 HD23 LEU 49 2HD2 LEU 49 5.164 -0.853 5.203
413 H ILE 50 H ILE 50 2.066 3.240 5.861
414 HA ILE 50 HA ILE 50 3.345 5.867 5.541
415 HB ILE 50 HB ILE 50 2.703 5.926 3.184
416 HG12 ILE 50 2HG1 ILE 50 1.929 3.016 3.411
417 HG13 ILE 50 1HG1 ILE 50 0.753 4.325 3.499
418 HG21 ILE 50 1HG2 ILE 50 4.281 4.254 2.285
419 HG22 ILE 50 2HG2 ILE 50 4.333 3.480 3.869
420 HG23 ILE 50 3HG2 ILE 50 4.935 5.127 3.672
421 HD11 ILE 50 3HD1 ILE 50 0.892 3.305 1.275
422 HD12 ILE 50 1HD1 ILE 50 2.582 3.803 1.168
423 HD13 ILE 50 2HD1 ILE 50 1.307 5.019 1.260
424 H THR 51 H THR 51 1.537 7.294 4.291
425 HA THR 51 HA THR 51 -0.930 6.859 5.811
426 HB THR 51 HB THR 51 -0.016 8.947 6.442
427 HG1 THR 51 HG1 THR 51 -1.857 9.942 6.239
428 HG21 THR 51 3HG2 THR 51 0.221 9.648 3.518
429 HG22 THR 51 1HG2 THR 51 1.554 9.285 4.611
430 HG23 THR 51 2HG2 THR 51 0.572 10.728 4.866
431 H GLU 52 H GLU 52 -2.943 7.486 4.782
432 HA GLU 52 HA GLU 52 -3.312 6.056 2.393
433 HB2 GLU 52 2HB GLU 52 -4.926 6.668 4.372
434 HB3 GLU 52 1HB GLU 52 -5.292 8.074 3.384
435 HG2 GLU 52 2HG GLU 52 -6.204 6.783 1.673
436 HG3 GLU 52 1HG GLU 52 -5.464 5.300 2.277
437 H ARG 53 H ARG 53 -3.072 9.473 3.109
438 HA ARG 53 HA ARG 53 -3.710 10.494 0.561
439 HE ARG 53 HE ARG 53 -2.756 15.338 0.240
440 HB2 ARG 53 2HB ARG 53 -3.339 11.629 2.940
441 HB3 ARG 53 1HB ARG 53 -1.711 11.854 2.321
442 HG2 ARG 53 2HG ARG 53 -4.229 12.866 1.015
443 HG3 ARG 53 1HG ARG 53 -3.122 13.826 1.996
444 HD2 ARG 53 2HD ARG 53 -1.324 13.153 0.330
445 HD3 ARG 53 1HD ARG 53 -2.636 12.570 -0.690
446 HH11 ARG 53 1HH1 ARG 53 -2.229 13.068 -2.358
447 HH12 ARG 53 2HH1 ARG 53 -2.213 14.285 -3.596
448 HH21 ARG 53 1HH2 ARG 53 -2.740 16.950 -1.389
449 HH22 ARG 53 2HH2 ARG 53 -2.485 16.491 -3.044
450 H GLU 54 H GLU 54 -0.751 9.374 2.054
451 HA GLU 54 HA GLU 54 1.125 10.118 0.117
452 HB2 GLU 54 2HB GLU 54 1.918 9.367 2.225
453 HB3 GLU 54 1HB GLU 54 1.010 7.869 2.121
454 HG2 GLU 54 2HG GLU 54 3.255 7.291 1.796
455 HG3 GLU 54 1HG GLU 54 2.510 7.232 0.203
456 H ALA 55 H ALA 55 -0.747 7.116 0.494
457 HA ALA 55 HA ALA 55 0.429 5.719 -1.631
458 HB1 ALA 55 3HB ALA 55 -1.476 4.226 -1.513
459 HB2 ALA 55 1HB ALA 55 -2.376 5.414 -0.569
460 HB3 ALA 55 2HB ALA 55 -0.935 4.657 0.109
461 H LEU 56 H LEU 56 -2.421 7.810 -1.552
462 HA LEU 56 HA LEU 56 -3.146 7.339 -4.265
463 HG LEU 56 HG LEU 56 -4.381 7.741 -1.296
464 HB2 LEU 56 2HB LEU 56 -3.854 9.775 -2.646
465 HB3 LEU 56 1HB LEU 56 -4.744 9.072 -3.977
466 HD11 LEU 56 1HD1 LEU 56 -5.698 9.779 -1.089
467 HD12 LEU 56 2HD1 LEU 56 -6.703 8.345 -0.878
468 HD13 LEU 56 3HD1 LEU 56 -6.752 9.238 -2.398
469 HD21 LEU 56 3HD2 LEU 56 -4.752 6.175 -3.118
470 HD22 LEU 56 1HD2 LEU 56 -6.171 7.088 -3.631
471 HD23 LEU 56 2HD2 LEU 56 -6.168 6.265 -2.070
472 H ASP 57 H ASP 57 -1.014 9.593 -2.664
473 HA ASP 57 HA ASP 57 -0.868 11.385 -4.918
474 HB2 ASP 57 2HB ASP 57 -0.625 12.132 -2.541
475 HB3 ASP 57 1HB ASP 57 0.918 11.291 -2.485
476 H ARG 58 H ARG 58 1.356 9.079 -3.367
477 HA ARG 58 HA ARG 58 3.493 9.601 -5.141
478 HE ARG 58 HE ARG 58 4.961 4.716 -2.911
479 HB2 ARG 58 2HB ARG 58 4.574 7.652 -4.184
480 HB3 ARG 58 1HB ARG 58 3.832 8.619 -2.922
481 HG2 ARG 58 2HG ARG 58 1.912 7.029 -2.931
482 HG3 ARG 58 1HG ARG 58 2.834 6.016 -4.045
483 HD2 ARG 58 2HD ARG 58 3.761 6.857 -1.300
484 HD3 ARG 58 1HD ARG 58 3.022 5.303 -1.678
485 HH11 ARG 58 1HH1 ARG 58 5.234 7.790 -1.239
486 HH12 ARG 58 2HH1 ARG 58 6.973 7.785 -1.271
487 HH21 ARG 58 1HH2 ARG 58 7.262 4.724 -2.930
488 HH22 ARG 58 2HH2 ARG 58 8.119 6.059 -2.230
489 H TYR 59 H TYR 59 0.889 7.216 -5.245
490 HA TYR 59 HA TYR 59 2.073 6.050 -7.657
491 HD1 TYR 59 HD2 TYR 59 3.102 4.039 -7.124
492 HD2 TYR 59 HD1 TYR 59 0.205 4.197 -4.005
493 HE1 TYR 59 HE2 TYR 59 4.655 2.858 -5.624
494 HE2 TYR 59 HE1 TYR 59 1.757 3.021 -2.503
495 HH TYR 59 HH TYR 59 3.723 1.478 -2.719
496 HB2 TYR 59 2HB TYR 59 -0.311 5.142 -6.035
497 HB3 TYR 59 1HB TYR 59 0.366 4.292 -7.420
498 H SER 60 H SER 60 0.102 8.546 -6.960
499 HA SER 60 HA SER 60 -1.343 9.833 -8.144
500 HG SER 60 HG SER 60 -2.264 9.818 -10.669
501 HB2 SER 60 2HB SER 60 0.439 9.492 -9.894
502 HB3 SER 60 1HB SER 60 -0.527 8.167 -10.537
503 H LEU 61 H LEU 61 -2.350 7.546 -6.826
504 HA LEU 61 HA LEU 61 -4.192 6.160 -8.554
505 HG LEU 61 HG LEU 61 -2.035 4.965 -6.873
506 HB2 LEU 61 2HB LEU 61 -3.797 6.154 -5.565
507 HB3 LEU 61 1HB LEU 61 -5.001 5.177 -6.381
508 HD11 LEU 61 1HD1 LEU 61 -2.567 4.321 -4.594
509 HD12 LEU 61 2HD1 LEU 61 -2.160 2.904 -5.566
510 HD13 LEU 61 3HD1 LEU 61 -3.845 3.258 -5.182
511 HD21 LEU 61 3HD2 LEU 61 -2.616 2.893 -8.005
512 HD22 LEU 61 1HD2 LEU 61 -3.438 4.263 -8.753
513 HD23 LEU 61 2HD2 LEU 61 -4.325 3.180 -7.679
514 H SER 62 H SER 62 -6.499 5.913 -7.426
515 HA SER 62 HA SER 62 -7.533 8.604 -6.844
516 HG SER 62 HG SER 62 -7.500 8.661 -9.273
517 HB2 SER 62 2HB SER 62 -9.003 6.440 -8.371
518 HB3 SER 62 1HB SER 62 -9.531 8.101 -8.103
519 H GLU 63 H GLU 63 -9.475 8.638 -5.574
520 HA GLU 63 HA GLU 63 -9.250 7.193 -3.216
521 HB2 GLU 63 2HB GLU 63 -10.355 9.410 -3.570
522 HB3 GLU 63 1HB GLU 63 -11.699 8.567 -4.324
523 HG2 GLU 63 2HG GLU 63 -12.022 7.326 -2.217
524 HG3 GLU 63 1HG GLU 63 -10.782 8.340 -1.487
525 H GLU 64 H GLU 64 -11.437 6.802 -5.955
526 HA GLU 64 HA GLU 64 -13.001 4.714 -4.934
527 HB2 GLU 64 2HB GLU 64 -13.516 4.288 -7.368
528 HB3 GLU 64 1HB GLU 64 -13.807 5.927 -6.801
529 HG2 GLU 64 2HG GLU 64 -11.510 6.495 -7.704
530 HG3 GLU 64 1HG GLU 64 -11.549 4.925 -8.503
531 H GLU 65 H GLU 65 -9.942 4.682 -6.663
532 HA GLU 65 HA GLU 65 -9.903 1.907 -7.243
533 HB2 GLU 65 2HB GLU 65 -8.523 3.554 -8.444
534 HB3 GLU 65 1HB GLU 65 -7.625 3.885 -6.974
535 HG2 GLU 65 2HG GLU 65 -6.356 2.480 -8.474
536 HG3 GLU 65 1HG GLU 65 -6.739 1.616 -6.990
537 H PHE 66 H PHE 66 -8.234 3.826 -4.729
538 HA PHE 66 HA PHE 66 -7.126 1.620 -3.380
539 HD1 PHE 66 HD1 PHE 66 -4.592 2.653 -2.289
540 HD2 PHE 66 HD2 PHE 66 -8.020 3.428 0.109
541 HE1 PHE 66 HE1 PHE 66 -3.362 1.903 -0.294
542 HE2 PHE 66 HE2 PHE 66 -6.795 2.684 2.106
543 HZ PHE 66 HZ PHE 66 -4.464 1.920 1.908
544 HB2 PHE 66 2HB PHE 66 -6.426 4.020 -3.112
545 HB3 PHE 66 1HB PHE 66 -7.869 4.275 -2.139
546 H ALA 67 H ALA 67 -10.265 3.164 -3.155
547 HA ALA 67 HA ALA 67 -11.175 1.974 -0.782
548 HB1 ALA 67 3HB ALA 67 -12.803 2.710 -3.214
549 HB2 ALA 67 1HB ALA 67 -12.347 3.813 -1.918
550 HB3 ALA 67 2HB ALA 67 -13.420 2.455 -1.580
551 H LEU 68 H LEU 68 -11.115 0.832 -4.107
552 HA LEU 68 HA LEU 68 -12.531 -1.581 -3.640
553 HG LEU 68 HG LEU 68 -12.501 0.570 -5.896
554 HB2 LEU 68 2HB LEU 68 -10.517 -0.899 -5.786
555 HB3 LEU 68 1HB LEU 68 -11.570 -2.301 -5.801
556 HD11 LEU 68 1HD1 LEU 68 -12.410 -1.530 -8.054
557 HD12 LEU 68 2HD1 LEU 68 -11.371 -0.109 -7.951
558 HD13 LEU 68 3HD1 LEU 68 -13.106 0.083 -8.203
559 HD21 LEU 68 3HD2 LEU 68 -14.694 -0.380 -6.345
560 HD22 LEU 68 1HD2 LEU 68 -14.086 -0.931 -4.786
561 HD23 LEU 68 2HD2 LEU 68 -14.036 -2.008 -6.181
562 H TRP 69 H TRP 69 -9.099 -0.718 -3.691
563 HA TRP 69 HA TRP 69 -7.961 -3.229 -3.316
564 HD1 TRP 69 HD1 TRP 69 -8.065 -1.323 -5.295
565 HE1 TRP 69 HE1 TRP 69 -6.495 -0.456 -7.130
566 HE3 TRP 69 HE3 TRP 69 -3.841 -0.682 -2.496
567 HZ2 TRP 69 HZ2 TRP 69 -3.813 0.372 -7.362
568 HZ3 TRP 69 HZ3 TRP 69 -1.811 0.151 -3.606
569 HH2 TRP 69 HH2 TRP 69 -1.802 0.663 -5.990
570 HB2 TRP 69 2HB TRP 69 -7.066 -0.599 -2.106
571 HB3 TRP 69 1HB TRP 69 -6.088 -2.056 -2.172
572 H ARG 70 H ARG 70 -9.038 -0.921 -0.836
573 HA ARG 70 HA ARG 70 -8.284 -2.612 1.319
574 HE ARG 70 HE ARG 70 -9.519 0.858 3.664
575 HB2 ARG 70 2HB ARG 70 -9.153 -0.958 2.754
576 HB3 ARG 70 1HB ARG 70 -8.508 -0.086 1.375
577 HG2 ARG 70 2HG ARG 70 -10.922 -0.133 0.488
578 HG3 ARG 70 1HG ARG 70 -11.359 -0.546 2.148
579 HD2 ARG 70 2HD ARG 70 -10.117 1.954 1.081
580 HD3 ARG 70 1HD ARG 70 -11.535 1.770 2.110
581 HH11 ARG 70 1HH1 ARG 70 -10.090 3.831 1.909
582 HH12 ARG 70 2HH1 ARG 70 -9.007 4.778 2.886
583 HH21 ARG 70 1HH2 ARG 70 -8.092 2.106 4.963
584 HH22 ARG 70 2HH2 ARG 70 -7.863 3.797 4.605
585 H SER 71 H SER 71 -11.138 -2.382 -0.623
586 HA SER 71 HA SER 71 -12.800 -3.780 1.275
587 HG SER 71 HG SER 71 -13.344 -1.239 -0.708
588 HB2 SER 71 2HB SER 71 -13.275 -3.164 -1.650
589 HB3 SER 71 1HB SER 71 -14.480 -3.789 -0.522
590 H ALA 72 H ALA 72 -10.734 -4.589 -1.415
591 HA ALA 72 HA ALA 72 -11.732 -7.292 -1.619
592 HB1 ALA 72 3HB ALA 72 -10.897 -6.099 -3.597
593 HB2 ALA 72 1HB ALA 72 -10.015 -7.599 -3.306
594 HB3 ALA 72 2HB ALA 72 -9.287 -6.050 -2.877
595 H VAL 73 H VAL 73 -9.449 -5.668 0.326
596 HA VAL 73 HA VAL 73 -8.196 -8.237 1.039
597 HB VAL 73 HB VAL 73 -7.011 -5.474 1.354
598 HG11 VAL 73 1HG1 VAL 73 -4.956 -6.656 1.974
599 HG12 VAL 73 2HG1 VAL 73 -5.812 -8.196 1.869
600 HG13 VAL 73 3HG1 VAL 73 -6.271 -7.016 3.097
601 HG21 VAL 73 3HG2 VAL 73 -6.304 -7.687 -0.573
602 HG22 VAL 73 1HG2 VAL 73 -5.448 -6.155 -0.396
603 HG23 VAL 73 2HG2 VAL 73 -7.110 -6.173 -0.986
604 H ALA 74 H ALA 74 -8.831 -5.047 2.550
605 HA ALA 74 HA ALA 74 -8.654 -6.161 5.173
606 HB1 ALA 74 3HB ALA 74 -8.020 -3.843 4.698
607 HB2 ALA 74 1HB ALA 74 -9.245 -3.942 5.961
608 HB3 ALA 74 2HB ALA 74 -9.701 -3.464 4.327
609 H ALA 75 H ALA 75 -11.315 -5.222 3.057
610 HA ALA 75 HA ALA 75 -13.298 -5.767 5.085
611 HB1 ALA 75 3HB ALA 75 -13.679 -4.013 3.418
612 HB2 ALA 75 1HB ALA 75 -14.937 -5.249 3.362
613 HB3 ALA 75 2HB ALA 75 -13.666 -5.229 2.140
614 H HIS 76 H HIS 76 -11.454 -7.683 3.091
615 HA HIS 76 HA HIS 76 -13.497 -9.638 2.483
616 HD1 HIS 76 HD1 HIS 76 -9.940 -12.196 1.370
617 HD2 HIS 76 HD2 HIS 76 -13.853 -11.176 0.394
618 HE1 HIS 76 HE1 HIS 76 -10.907 -14.221 0.236
619 HE2 HIS 76 HE2 HIS 76 -13.336 -13.654 -0.131
620 HB2 HIS 76 2HB HIS 76 -11.568 -9.143 0.940
621 HB3 HIS 76 1HB HIS 76 -10.508 -9.911 2.118
622 H GLY 77 H GLY 77 -14.105 -9.922 4.720
623 HA2 GLY 77 2HA GLY 77 -12.848 -12.307 5.770
624 HA3 GLY 77 1HA GLY 77 -12.712 -10.905 6.827
625 H GLU 78 H GLU 78 -15.392 -11.401 4.708
626 HA GLU 78 HA GLU 78 -17.246 -10.916 6.814
627 HB2 GLU 78 2HB GLU 78 -18.926 -11.152 4.969
628 HB3 GLU 78 1HB GLU 78 -17.661 -9.967 4.656
629 HG2 GLU 78 2HG GLU 78 -16.490 -11.554 3.242
630 HG3 GLU 78 1HG GLU 78 -17.696 -12.788 3.598
631 H LYS 79 H LYS 79 -15.689 -13.660 6.370
632 HA LYS 79 HA LYS 79 -17.994 -15.450 6.406
633 HB2 LYS 79 2HB LYS 79 -15.031 -16.067 6.428
634 HB3 LYS 79 1HB LYS 79 -16.316 -17.265 6.344
635 HG2 LYS 79 2HG LYS 79 -15.685 -15.162 4.282
636 HG3 LYS 79 1HG LYS 79 -15.389 -16.897 4.148
637 HD2 LYS 79 2HD LYS 79 -17.809 -17.308 4.296
638 HD3 LYS 79 1HD LYS 79 -18.088 -15.571 4.403
639 HE2 LYS 79 2HE LYS 79 -18.492 -16.270 2.147
640 HE3 LYS 79 1HE LYS 79 -17.010 -15.316 2.181
641 HZ1 LYS 79 3HZ LYS 79 -16.993 -18.275 2.293
642 HZ2 LYS 79 1HZ LYS 79 -15.699 -17.236 1.950
643 HZ3 LYS 79 2HZ LYS 79 -16.959 -17.422 0.827
644 H ALA 80 H ALA 80 -15.095 -14.841 8.382
645 HA ALA 80 HA ALA 80 -16.699 -15.135 10.786
646 HB1 ALA 80 3HB ALA 80 -14.240 -16.821 10.312
647 HB2 ALA 80 1HB ALA 80 -15.902 -17.408 10.368
648 HB3 ALA 80 2HB ALA 80 -15.158 -16.732 11.816
649 H LEU 81 H LEU 81 -16.312 -13.240 11.709
650 HA LEU 81 HA LEU 81 -13.953 -11.732 11.234
651 HG LEU 81 HG LEU 81 -15.165 -9.647 10.748
652 HB2 LEU 81 2HB LEU 81 -16.381 -11.338 12.937
653 HB3 LEU 81 1HB LEU 81 -14.991 -10.296 13.154
654 HD11 LEU 81 1HD1 LEU 81 -16.354 -11.621 9.928
655 HD12 LEU 81 2HD1 LEU 81 -17.213 -10.131 9.533
656 HD13 LEU 81 3HD1 LEU 81 -17.776 -11.149 10.859
657 HD21 LEU 81 3HD2 LEU 81 -17.089 -8.183 11.062
658 HD22 LEU 81 1HD2 LEU 81 -16.100 -8.262 12.520
659 HD23 LEU 81 2HD2 LEU 81 -17.615 -9.161 12.433
660 H LYS 82 H LYS 82 -12.290 -13.022 11.945
661 HA LYS 82 HA LYS 82 -11.901 -13.749 14.664
662 HB2 LYS 82 2HB LYS 82 -10.593 -14.764 12.857
663 HB3 LYS 82 1HB LYS 82 -9.892 -13.201 12.462
664 HG2 LYS 82 2HG LYS 82 -8.745 -13.144 14.592
665 HG3 LYS 82 1HG LYS 82 -9.506 -14.662 15.068
666 HD2 LYS 82 2HD LYS 82 -7.695 -14.337 12.679
667 HD3 LYS 82 1HD LYS 82 -7.163 -14.907 14.263
668 HE2 LYS 82 2HE LYS 82 -8.788 -16.763 14.089
669 HE3 LYS 82 1HE LYS 82 -9.208 -16.212 12.467
670 HZ1 LYS 82 3HZ LYS 82 -6.486 -17.052 13.312
671 HZ2 LYS 82 1HZ LYS 82 -6.974 -16.642 11.740
672 HZ3 LYS 82 2HZ LYS 82 -7.585 -18.039 12.480
673 H VAL 83 H VAL 83 -10.464 -12.680 16.213
674 HA VAL 83 HA VAL 83 -11.159 -10.052 16.680
675 HB VAL 83 HB VAL 83 -10.277 -11.557 18.405
676 HG11 VAL 83 1HG1 VAL 83 -7.869 -11.882 18.677
677 HG12 VAL 83 2HG1 VAL 83 -7.585 -11.039 17.153
678 HG13 VAL 83 3HG1 VAL 83 -8.453 -12.576 17.162
679 HG21 VAL 83 3HG2 VAL 83 -8.760 -8.963 18.168
680 HG22 VAL 83 1HG2 VAL 83 -8.969 -9.901 19.648
681 HG23 VAL 83 2HG2 VAL 83 -10.368 -9.173 18.859
682 H THR 84 H THR 84 -8.400 -11.241 14.874
683 HA THR 84 HA THR 84 -7.046 -8.745 14.659
684 HB THR 84 HB THR 84 -6.827 -11.068 12.760
685 HG1 THR 84 HG1 THR 84 -5.006 -11.258 14.692
686 HG21 THR 84 3HG2 THR 84 -5.549 -9.076 12.160
687 HG22 THR 84 1HG2 THR 84 -4.466 -10.373 12.660
688 HG23 THR 84 2HG2 THR 84 -4.818 -9.044 13.764
689 H MET 85 H MET 85 -9.866 -9.927 13.247
690 HA MET 85 HA MET 85 -9.524 -8.506 10.721
691 HB2 MET 85 2HB MET 85 -11.584 -10.470 11.713
692 HB3 MET 85 1HB MET 85 -11.783 -9.583 10.206
693 HG2 MET 85 2HG MET 85 -9.726 -10.556 9.350
694 HG3 MET 85 1HG MET 85 -9.489 -11.418 10.869
695 HE1 MET 85 3HE MET 85 -9.225 -13.707 9.514
696 HE2 MET 85 1HE MET 85 -9.460 -12.823 8.004
697 HE3 MET 85 2HE MET 85 -10.406 -14.275 8.333
698 H ILE 86 H ILE 86 -11.127 -8.179 13.775
699 HA ILE 86 HA ILE 86 -13.183 -6.424 12.913
700 HB ILE 86 HB ILE 86 -11.965 -6.830 15.646
701 HG12 ILE 86 2HG1 ILE 86 -14.489 -7.603 15.927
702 HG13 ILE 86 1HG1 ILE 86 -14.363 -7.835 14.186
703 HG21 ILE 86 1HG2 ILE 86 -13.829 -5.510 16.551
704 HG22 ILE 86 2HG2 ILE 86 -14.311 -5.084 14.911
705 HG23 ILE 86 3HG2 ILE 86 -12.758 -4.538 15.544
706 HD11 ILE 86 3HD1 ILE 86 -13.906 -9.897 15.300
707 HD12 ILE 86 1HD1 ILE 86 -12.679 -9.130 16.305
708 HD13 ILE 86 2HD1 ILE 86 -12.414 -9.299 14.568
709 H GLN 87 H GLN 87 -9.851 -5.889 13.974
710 HA GLN 87 HA GLN 87 -10.013 -3.081 14.141
711 HB2 GLN 87 2HB GLN 87 -7.593 -3.058 14.036
712 HB3 GLN 87 1HB GLN 87 -8.133 -4.363 15.081
713 HG2 GLN 87 2HG GLN 87 -7.675 -5.984 13.365
714 HG3 GLN 87 1HG GLN 87 -7.267 -4.704 12.222
715 HE21 GLN 87 1HE2 GLN 87 -5.332 -3.561 12.486
716 HE22 GLN 87 2HE2 GLN 87 -4.044 -4.171 13.462
717 H LYS 88 H LYS 88 -9.657 -5.247 11.426
718 HA LYS 88 HA LYS 88 -8.864 -3.452 9.430
719 HB2 LYS 88 2HB LYS 88 -10.771 -5.797 9.277
720 HB3 LYS 88 1HB LYS 88 -10.190 -4.923 7.872
721 HG2 LYS 88 2HG LYS 88 -7.909 -5.631 8.352
722 HG3 LYS 88 1HG LYS 88 -8.471 -6.478 9.800
723 HD2 LYS 88 2HD LYS 88 -9.801 -7.977 8.482
724 HD3 LYS 88 1HD LYS 88 -9.494 -7.045 7.021
725 HE2 LYS 88 2HE LYS 88 -7.101 -7.635 7.189
726 HE3 LYS 88 1HE LYS 88 -7.474 -8.641 8.590
727 HZ1 LYS 88 3HZ LYS 88 -7.352 -9.923 6.502
728 HZ2 LYS 88 1HZ LYS 88 -8.637 -9.021 5.877
729 HZ3 LYS 88 2HZ LYS 88 -8.880 -10.020 7.218
730 H TYR 89 H TYR 89 -12.048 -4.239 10.716
731 HA TYR 89 HA TYR 89 -13.386 -2.432 8.912
732 HD1 TYR 89 HD2 TYR 89 -14.543 -3.806 7.519
733 HD2 TYR 89 HD1 TYR 89 -14.521 -6.307 10.959
734 HE1 TYR 89 HE2 TYR 89 -14.595 -5.791 6.069
735 HE2 TYR 89 HE1 TYR 89 -14.566 -8.300 9.519
736 HH TYR 89 HH TYR 89 -14.156 -8.086 6.077
737 HB2 TYR 89 2HB TYR 89 -14.442 -4.030 11.253
738 HB3 TYR 89 1HB TYR 89 -15.430 -3.158 10.088
739 H ARG 90 H ARG 90 -11.908 -2.174 11.965
740 HA ARG 90 HA ARG 90 -13.559 0.078 12.791
741 HE ARG 90 HE ARG 90 -11.610 -0.540 17.207
742 HB2 ARG 90 2HB ARG 90 -11.251 -1.345 14.104
743 HB3 ARG 90 1HB ARG 90 -11.962 0.120 14.769
744 HG2 ARG 90 2HG ARG 90 -14.123 -1.002 14.940
745 HG3 ARG 90 1HG ARG 90 -13.409 -2.470 14.272
746 HD2 ARG 90 2HD ARG 90 -13.554 -2.623 16.690
747 HD3 ARG 90 1HD ARG 90 -11.871 -2.583 16.171
748 HH11 ARG 90 1HH1 ARG 90 -15.001 -1.384 17.118
749 HH12 ARG 90 2HH1 ARG 90 -15.463 -0.207 18.312
750 HH21 ARG 90 1HH2 ARG 90 -12.196 0.998 18.782
751 HH22 ARG 90 2HH2 ARG 90 -13.864 1.164 19.256
752 H GLN 91 H GLN 91 -10.686 -0.454 11.028
753 HA GLN 91 HA GLN 91 -9.933 2.368 11.388
754 HB2 GLN 91 2HB GLN 91 -8.220 0.527 11.828
755 HB3 GLN 91 1HB GLN 91 -8.244 0.231 10.093
756 HG2 GLN 91 2HG GLN 91 -7.762 2.769 9.916
757 HG3 GLN 91 1HG GLN 91 -7.246 2.603 11.593
758 HE21 GLN 91 1HE2 GLN 91 -5.390 1.401 12.068
759 HE22 GLN 91 2HE2 GLN 91 -4.270 0.927 10.832
760 H LEU 92 H LEU 92 -11.650 0.392 9.415
761 HA LEU 92 HA LEU 92 -10.766 1.446 6.874
762 HG LEU 92 HG LEU 92 -11.329 -0.057 5.026
763 HB2 LEU 92 2HB LEU 92 -11.716 -0.912 7.379
764 HB3 LEU 92 1HB LEU 92 -13.281 -0.130 7.326
765 HD11 LEU 92 1HD1 LEU 92 -13.635 -1.941 5.497
766 HD12 LEU 92 2HD1 LEU 92 -11.923 -2.366 5.495
767 HD13 LEU 92 3HD1 LEU 92 -12.698 -1.813 4.010
768 HD21 LEU 92 3HD2 LEU 92 -13.022 1.708 5.042
769 HD22 LEU 92 1HD2 LEU 92 -14.290 0.490 5.181
770 HD23 LEU 92 2HD2 LEU 92 -13.291 0.563 3.727
771 H HIS 93 H HIS 93 -11.252 3.486 6.464
772 HA HIS 93 HA HIS 93 -13.995 4.398 7.013
773 HD1 HIS 93 HD1 HIS 93 -9.875 5.776 8.245
774 HD2 HIS 93 HD2 HIS 93 -11.366 7.052 4.577
775 HE1 HIS 93 HE1 HIS 93 -7.876 6.533 6.925
776 HE2 HIS 93 HE2 HIS 93 -8.783 7.015 4.622
777 HB2 HIS 93 2HB HIS 93 -13.123 6.713 6.905
778 HB3 HIS 93 1HB HIS 93 -12.372 5.779 8.189
779 H HIS 94 H HIS 94 -15.276 4.762 5.353
780 HA HIS 94 HA HIS 94 -16.066 5.229 3.290
781 HD1 HIS 94 HD1 HIS 94 -12.984 5.542 0.425
782 HD2 HIS 94 HD2 HIS 94 -16.432 7.763 1.067
783 HE1 HIS 94 HE1 HIS 94 -13.854 6.105 -1.861
784 HE2 HIS 94 HE2 HIS 94 -15.882 7.540 -1.455
785 HB2 HIS 94 2HB HIS 94 -14.764 7.236 3.251
786 HB3 HIS 94 1HB HIS 94 -13.290 6.346 2.877
787 H HIS 95 H HIS 95 -16.587 3.387 2.329
788 HA HIS 95 HA HIS 95 -14.671 2.460 0.347
789 HD1 HIS 95 HD1 HIS 95 -17.561 -0.945 1.048
790 HD2 HIS 95 HD2 HIS 95 -16.236 1.250 4.327
791 HE1 HIS 95 HE1 HIS 95 -19.151 -1.488 2.924
792 HE2 HIS 95 HE2 HIS 95 -18.293 -0.206 4.915
793 HB2 HIS 95 2HB HIS 95 -15.314 0.091 0.675
794 HB3 HIS 95 1HB HIS 95 -14.482 0.763 2.068
Start of MODEL 17
1 HA MET 1 HA MET 1 11.756 20.663 19.794
2 H1 MET 1 1H MET 1 11.708 20.332 22.156
3 H2 MET 1 2H MET 1 12.516 18.850 22.008
4 H3 MET 1 3H MET 1 10.952 19.030 21.378
5 HB2 MET 1 2HB MET 1 14.420 19.960 21.032
6 HB3 MET 1 1HB MET 1 14.261 20.759 19.475
7 HG2 MET 1 2HG MET 1 13.089 22.616 20.564
8 HG3 MET 1 1HG MET 1 13.302 21.819 22.122
9 HE1 MET 1 3HE MET 1 15.764 24.875 22.270
10 HE2 MET 1 1HE MET 1 14.417 24.054 23.064
11 HE3 MET 1 2HE MET 1 14.185 24.808 21.487
12 H TYR 2 H TYR 2 13.412 19.943 17.908
13 HA TYR 2 HA TYR 2 13.442 17.043 17.660
14 HD1 TYR 2 HD2 TYR 2 12.300 15.206 15.876
15 HD2 TYR 2 HD1 TYR 2 9.737 18.303 17.267
16 HE1 TYR 2 HE2 TYR 2 10.608 13.527 16.472
17 HE2 TYR 2 HE1 TYR 2 8.034 16.630 17.867
18 HH TYR 2 HH TYR 2 8.707 13.216 17.800
19 HB2 TYR 2 2HB TYR 2 11.702 18.857 16.092
20 HB3 TYR 2 1HB TYR 2 12.569 17.631 15.173
21 H LEU 3 H LEU 3 15.507 16.665 17.263
22 HA LEU 3 HA LEU 3 17.050 18.407 15.517
23 HG LEU 3 HG LEU 3 19.245 16.257 14.932
24 HB2 LEU 3 2HB LEU 3 18.122 17.408 17.491
25 HB3 LEU 3 1HB LEU 3 17.763 15.804 16.883
26 HD11 LEU 3 1HD1 LEU 3 20.760 18.157 15.012
27 HD12 LEU 3 2HD1 LEU 3 19.963 18.747 16.469
28 HD13 LEU 3 3HD1 LEU 3 19.082 18.693 14.943
29 HD21 LEU 3 3HD2 LEU 3 20.079 15.036 16.869
30 HD22 LEU 3 1HD2 LEU 3 20.530 16.554 17.647
31 HD23 LEU 3 2HD2 LEU 3 21.345 16.043 16.169
32 H LYS 4 H LYS 4 15.615 15.210 15.562
33 HA LYS 4 HA LYS 4 15.510 15.171 12.677
34 HB2 LYS 4 2HB LYS 4 17.705 14.163 13.105
35 HB3 LYS 4 1HB LYS 4 16.971 13.005 14.204
36 HG2 LYS 4 2HG LYS 4 15.702 12.044 12.352
37 HG3 LYS 4 1HG LYS 4 16.430 13.212 11.248
38 HD2 LYS 4 2HD LYS 4 17.954 11.176 12.869
39 HD3 LYS 4 1HD LYS 4 17.530 11.002 11.165
40 HE2 LYS 4 2HE LYS 4 18.832 12.984 10.621
41 HE3 LYS 4 1HE LYS 4 19.227 13.208 12.324
42 HZ1 LYS 4 3HZ LYS 4 21.020 12.126 11.091
43 HZ2 LYS 4 1HZ LYS 4 19.986 10.844 10.692
44 HZ3 LYS 4 2HZ LYS 4 20.409 11.122 12.312
45 H ARG 5 H ARG 5 13.341 15.045 12.669
46 HA ARG 5 HA ARG 5 11.897 13.249 14.383
47 HE ARG 5 HE ARG 5 8.643 16.325 13.370
48 HB2 ARG 5 2HB ARG 5 10.793 15.282 13.696
49 HB3 ARG 5 1HB ARG 5 11.029 14.891 11.997
50 HG2 ARG 5 2HG ARG 5 9.617 12.815 12.450
51 HG3 ARG 5 1HG ARG 5 9.183 13.591 13.971
52 HD2 ARG 5 2HD ARG 5 8.842 14.928 11.306
53 HD3 ARG 5 1HD ARG 5 7.594 13.916 12.030
54 HH11 ARG 5 1HH1 ARG 5 6.001 14.311 12.260
55 HH12 ARG 5 2HH1 ARG 5 4.766 15.337 12.937
56 HH21 ARG 5 1HH2 ARG 5 7.037 17.675 14.272
57 HH22 ARG 5 2HH2 ARG 5 5.357 17.242 14.109
58 H VAL 6 H VAL 6 11.250 11.225 13.985
59 HA VAL 6 HA VAL 6 11.165 10.327 11.200
60 HB VAL 6 HB VAL 6 13.210 9.385 12.055
61 HG11 VAL 6 1HG1 VAL 6 12.752 9.509 14.441
62 HG12 VAL 6 2HG1 VAL 6 13.296 7.896 13.981
63 HG13 VAL 6 3HG1 VAL 6 11.586 8.193 14.295
64 HG21 VAL 6 3HG2 VAL 6 11.909 7.987 10.560
65 HG22 VAL 6 1HG2 VAL 6 11.049 7.287 11.932
66 HG23 VAL 6 2HG2 VAL 6 12.779 7.000 11.733
67 H ASP 7 H ASP 7 8.949 10.798 11.341
68 HA ASP 7 HA ASP 7 7.356 9.196 13.201
69 HB2 ASP 7 2HB ASP 7 5.451 10.617 12.400
70 HB3 ASP 7 1HB ASP 7 6.737 11.511 13.195
71 H GLY 8 H GLY 8 8.505 9.092 10.079
72 HA2 GLY 8 2HA GLY 8 6.325 7.392 9.125
73 HA3 GLY 8 1HA GLY 8 7.689 7.962 8.167
74 HA PRO 9 HA PRO 9 8.689 3.951 10.822
75 HB2 PRO 9 2HB PRO 9 6.552 2.366 9.548
76 HB3 PRO 9 1HB PRO 9 7.065 2.407 11.237
77 HG2 PRO 9 2HG PRO 9 4.749 3.501 10.458
78 HG3 PRO 9 1HG PRO 9 5.739 4.233 11.735
79 HD2 PRO 9 2HD PRO 9 5.470 5.022 8.857
80 HD3 PRO 9 1HD PRO 9 5.557 6.049 10.304
81 H ARG 10 H ARG 10 10.176 2.612 9.936
82 HA ARG 10 HA ARG 10 10.435 2.615 7.044
83 HE ARG 10 HE ARG 10 14.394 2.378 6.602
84 HB2 ARG 10 2HB ARG 10 12.202 1.487 9.222
85 HB3 ARG 10 1HB ARG 10 12.571 1.389 7.507
86 HG2 ARG 10 2HG ARG 10 12.558 3.864 7.408
87 HG3 ARG 10 1HG ARG 10 12.325 3.895 9.158
88 HD2 ARG 10 2HD ARG 10 14.686 4.187 8.533
89 HD3 ARG 10 1HD ARG 10 14.425 2.726 9.486
90 HH11 ARG 10 1HH1 ARG 10 16.328 2.326 9.532
91 HH12 ARG 10 2HH1 ARG 10 17.492 1.198 8.892
92 HH21 ARG 10 1HH2 ARG 10 15.942 0.927 5.748
93 HH22 ARG 10 2HH2 ARG 10 17.287 0.426 6.722
94 H GLN 11 H GLN 11 9.425 0.534 9.592
95 HA GLN 11 HA GLN 11 8.577 -1.469 7.673
96 HB2 GLN 11 2HB GLN 11 9.607 -3.325 8.932
97 HB3 GLN 11 1HB GLN 11 10.807 -2.256 8.224
98 HG2 GLN 11 2HG GLN 11 11.234 -1.229 10.354
99 HG3 GLN 11 1HG GLN 11 9.911 -2.125 11.095
100 HE21 GLN 11 1HE2 GLN 11 12.086 -3.554 8.776
101 HE22 GLN 11 2HE2 GLN 11 12.888 -4.609 9.888
102 H VAL 12 H VAL 12 6.779 -2.529 8.294
103 HA VAL 12 HA VAL 12 5.888 -2.297 11.091
104 HB VAL 12 HB VAL 12 3.530 -2.242 10.247
105 HG11 VAL 12 1HG1 VAL 12 4.628 -0.205 11.015
106 HG12 VAL 12 2HG1 VAL 12 3.534 0.139 9.673
107 HG13 VAL 12 3HG1 VAL 12 5.275 0.067 9.397
108 HG21 VAL 12 3HG2 VAL 12 3.126 -1.555 7.931
109 HG22 VAL 12 1HG2 VAL 12 3.923 -3.129 8.012
110 HG23 VAL 12 2HG2 VAL 12 4.852 -1.691 7.594
111 H THR 13 H THR 13 4.050 -3.996 11.467
112 HA THR 13 HA THR 13 5.071 -6.518 10.348
113 HB THR 13 HB THR 13 3.567 -6.204 12.946
114 HG1 THR 13 HG1 THR 13 6.344 -5.979 12.377
115 HG21 THR 13 3HG2 THR 13 5.417 -8.355 11.908
116 HG22 THR 13 1HG2 THR 13 3.660 -8.468 12.014
117 HG23 THR 13 2HG2 THR 13 4.627 -8.346 13.484
118 H LEU 14 H LEU 14 3.720 -7.877 9.306
119 HA LEU 14 HA LEU 14 0.975 -7.112 8.848
120 HG LEU 14 HG LEU 14 2.065 -8.738 5.684
121 HB2 LEU 14 2HB LEU 14 2.593 -9.521 8.008
122 HB3 LEU 14 1HB LEU 14 0.893 -9.350 7.631
123 HD11 LEU 14 1HD1 LEU 14 1.307 -6.187 7.089
124 HD12 LEU 14 2HD1 LEU 14 0.212 -7.257 6.211
125 HD13 LEU 14 3HD1 LEU 14 1.491 -6.402 5.346
126 HD21 LEU 14 3HD2 LEU 14 4.258 -8.408 6.781
127 HD22 LEU 14 1HD2 LEU 14 3.722 -6.807 7.288
128 HD23 LEU 14 2HD2 LEU 14 3.873 -7.188 5.571
129 HA PRO 15 HA PRO 15 -0.907 -9.408 12.122
130 HB2 PRO 15 2HB PRO 15 -3.168 -10.351 10.936
131 HB3 PRO 15 1HB PRO 15 -2.958 -8.665 11.424
132 HG2 PRO 15 2HG PRO 15 -2.646 -9.909 8.719
133 HG3 PRO 15 1HG PRO 15 -3.418 -8.375 9.163
134 HD2 PRO 15 2HD PRO 15 -0.928 -8.487 8.129
135 HD3 PRO 15 1HD PRO 15 -1.405 -7.262 9.323
136 H ASP 16 H ASP 16 0.124 -10.901 9.270
137 HA ASP 16 HA ASP 16 -0.539 -13.605 10.097
138 HB2 ASP 16 2HB ASP 16 -0.655 -12.930 7.708
139 HB3 ASP 16 1HB ASP 16 1.079 -12.631 7.728
140 H GLY 17 H GLY 17 2.075 -11.362 10.248
141 HA2 GLY 17 2HA GLY 17 3.772 -11.910 11.983
142 HA3 GLY 17 1HA GLY 17 3.884 -13.489 11.219
143 H THR 18 H THR 18 3.453 -11.642 8.668
144 HA THR 18 HA THR 18 6.197 -11.701 7.886
145 HB THR 18 HB THR 18 4.104 -10.169 6.383
146 HG1 THR 18 HG1 THR 18 4.190 -12.964 6.845
147 HG21 THR 18 3HG2 THR 18 5.219 -11.173 4.445
148 HG22 THR 18 1HG2 THR 18 6.295 -12.064 5.523
149 HG23 THR 18 2HG2 THR 18 6.370 -10.302 5.462
150 H VAL 19 H VAL 19 7.319 -9.769 6.976
151 HA VAL 19 HA VAL 19 6.798 -7.368 8.598
152 HB VAL 19 HB VAL 19 9.376 -8.212 7.250
153 HG11 VAL 19 1HG1 VAL 19 9.168 -5.789 7.393
154 HG12 VAL 19 2HG1 VAL 19 10.400 -6.374 8.510
155 HG13 VAL 19 3HG1 VAL 19 8.811 -5.907 9.116
156 HG21 VAL 19 3HG2 VAL 19 8.589 -8.263 10.164
157 HG22 VAL 19 1HG2 VAL 19 10.204 -8.596 9.535
158 HG23 VAL 19 2HG2 VAL 19 8.859 -9.662 9.125
159 H LEU 20 H LEU 20 6.460 -5.441 7.609
160 HA LEU 20 HA LEU 20 6.634 -5.379 4.667
161 HG LEU 20 HG LEU 20 4.997 -2.657 4.501
162 HB2 LEU 20 2HB LEU 20 4.306 -5.456 5.392
163 HB3 LEU 20 1HB LEU 20 4.573 -4.099 6.465
164 HD11 LEU 20 1HD1 LEU 20 5.786 -4.358 2.950
165 HD12 LEU 20 2HD1 LEU 20 4.423 -3.469 2.270
166 HD13 LEU 20 3HD1 LEU 20 4.182 -5.092 2.920
167 HD21 LEU 20 3HD2 LEU 20 2.780 -2.767 5.496
168 HD22 LEU 20 1HD2 LEU 20 2.370 -4.134 4.458
169 HD23 LEU 20 2HD2 LEU 20 2.676 -2.548 3.749
170 H SER 21 H SER 21 8.449 -4.225 4.324
171 HA SER 21 HA SER 21 8.888 -1.819 5.934
172 HG SER 21 HG SER 21 10.218 -4.033 3.458
173 HB2 SER 21 2HB SER 21 11.142 -1.810 4.986
174 HB3 SER 21 1HB SER 21 10.781 -3.402 5.649
175 H ARG 22 H ARG 22 9.718 0.129 4.672
176 HA ARG 22 HA ARG 22 7.874 0.762 2.588
177 HE ARG 22 HE ARG 22 9.043 5.040 2.732
178 HB2 ARG 22 2HB ARG 22 10.275 2.257 3.646
179 HB3 ARG 22 1HB ARG 22 9.207 2.891 2.402
180 HG2 ARG 22 2HG ARG 22 7.315 2.668 3.998
181 HG3 ARG 22 1HG ARG 22 8.479 2.203 5.237
182 HD2 ARG 22 2HD ARG 22 7.931 4.557 5.429
183 HD3 ARG 22 1HD ARG 22 9.618 4.352 4.966
184 HH11 ARG 22 1HH1 ARG 22 6.498 5.482 5.115
185 HH12 ARG 22 2HH1 ARG 22 5.670 6.691 4.185
186 HH21 ARG 22 1HH2 ARG 22 7.955 6.662 1.531
187 HH22 ARG 22 2HH2 ARG 22 6.495 7.377 2.165
188 H ALA 23 H ALA 23 10.681 -0.996 2.608
189 HA ALA 23 HA ALA 23 11.467 -0.372 -0.114
190 HB1 ALA 23 3HB ALA 23 13.122 -2.162 0.194
191 HB2 ALA 23 1HB ALA 23 12.418 -2.534 1.766
192 HB3 ALA 23 2HB ALA 23 13.196 -0.974 1.495
193 H ASP 24 H ASP 24 9.236 -2.349 1.521
194 HA ASP 24 HA ASP 24 8.990 -4.349 -0.551
195 HB2 ASP 24 2HB ASP 24 7.380 -3.731 1.925
196 HB3 ASP 24 1HB ASP 24 6.863 -4.937 0.752
197 H LEU 25 H LEU 25 7.718 -1.238 0.162
198 HA LEU 25 HA LEU 25 5.329 -1.253 -1.273
199 HG LEU 25 HG LEU 25 6.173 0.193 1.237
200 HB2 LEU 25 2HB LEU 25 7.336 0.952 -0.819
201 HB3 LEU 25 1HB LEU 25 5.780 1.209 -1.580
202 HD11 LEU 25 1HD1 LEU 25 5.353 2.398 1.908
203 HD12 LEU 25 2HD1 LEU 25 5.330 2.905 0.219
204 HD13 LEU 25 3HD1 LEU 25 6.863 2.519 1.003
205 HD21 LEU 25 3HD2 LEU 25 3.684 1.011 -0.259
206 HD22 LEU 25 1HD2 LEU 25 3.763 0.568 1.446
207 HD23 LEU 25 2HD2 LEU 25 4.124 -0.631 0.205
208 HA PRO 26 HA PRO 26 6.732 -2.013 -5.407
209 HB2 PRO 26 2HB PRO 26 4.450 -1.125 -6.657
210 HB3 PRO 26 1HB PRO 26 4.618 -2.721 -5.922
211 HG2 PRO 26 2HG PRO 26 3.364 -0.242 -4.808
212 HG3 PRO 26 1HG PRO 26 2.793 -1.921 -4.735
213 HD2 PRO 26 2HD PRO 26 4.000 -0.764 -2.644
214 HD3 PRO 26 1HD PRO 26 4.260 -2.478 -3.033
215 HA PRO 27 HA PRO 27 8.347 1.803 -6.897
216 HB2 PRO 27 2HB PRO 27 8.377 1.320 -9.589
217 HB3 PRO 27 1HB PRO 27 9.566 0.672 -8.454
218 HG2 PRO 27 2HG PRO 27 7.139 -0.639 -9.615
219 HG3 PRO 27 1HG PRO 27 8.765 -1.307 -9.367
220 HD2 PRO 27 2HD PRO 27 6.738 -1.864 -7.692
221 HD3 PRO 27 1HD PRO 27 8.406 -1.676 -7.110
222 H LEU 28 H LEU 28 7.909 3.629 -8.354
223 HA LEU 28 HA LEU 28 5.091 4.258 -8.163
224 HG LEU 28 HG LEU 28 7.884 5.348 -6.842
225 HB2 LEU 28 2HB LEU 28 7.352 6.004 -9.130
226 HB3 LEU 28 1HB LEU 28 5.759 6.532 -8.630
227 HD11 LEU 28 1HD1 LEU 28 8.362 7.631 -7.526
228 HD12 LEU 28 2HD1 LEU 28 7.910 7.570 -5.824
229 HD13 LEU 28 3HD1 LEU 28 6.748 8.134 -7.025
230 HD21 LEU 28 3HD2 LEU 28 5.689 4.658 -6.085
231 HD22 LEU 28 1HD2 LEU 28 5.105 6.320 -6.185
232 HD23 LEU 28 2HD2 LEU 28 6.340 5.888 -5.003
233 H ASP 29 H ASP 29 7.085 2.988 -10.511
234 HA ASP 29 HA ASP 29 5.714 4.212 -12.770
235 HB2 ASP 29 2HB ASP 29 7.269 2.893 -14.159
236 HB3 ASP 29 1HB ASP 29 8.127 3.861 -12.966
237 H THR 30 H THR 30 4.933 1.868 -10.673
238 HA THR 30 HA THR 30 4.106 -0.199 -12.492
239 HB THR 30 HB THR 30 3.435 0.220 -9.574
240 HG1 THR 30 HG1 THR 30 5.660 -0.649 -10.838
241 HG21 THR 30 3HG2 THR 30 1.790 -1.212 -10.680
242 HG22 THR 30 1HG2 THR 30 2.808 -2.154 -9.591
243 HG23 THR 30 2HG2 THR 30 3.087 -2.214 -11.331
244 H ARG 31 H ARG 31 2.498 0.319 -13.894
245 HA ARG 31 HA ARG 31 0.043 1.422 -12.721
246 HE ARG 31 HE ARG 31 -1.653 3.092 -14.005
247 HB2 ARG 31 2HB ARG 31 0.858 1.135 -15.614
248 HB3 ARG 31 1HB ARG 31 -0.739 1.650 -15.091
249 HG2 ARG 31 2HG ARG 31 1.878 3.077 -14.722
250 HG3 ARG 31 1HG ARG 31 0.462 3.608 -15.629
251 HD2 ARG 31 2HD ARG 31 0.760 3.374 -12.640
252 HD3 ARG 31 1HD ARG 31 0.522 4.839 -13.588
253 HH11 ARG 31 1HH1 ARG 31 -0.278 5.211 -11.574
254 HH12 ARG 31 2HH1 ARG 31 -1.789 5.465 -10.759
255 HH21 ARG 31 1HH2 ARG 31 -3.627 3.404 -12.940
256 HH22 ARG 31 2HH2 ARG 31 -3.706 4.420 -11.534
257 H ARG 32 H ARG 32 1.424 -1.384 -14.276
258 HA ARG 32 HA ARG 32 -1.042 -2.842 -14.327
259 HE ARG 32 HE ARG 32 0.885 -4.788 -17.328
260 HB2 ARG 32 2HB ARG 32 0.855 -3.437 -15.809
261 HB3 ARG 32 1HB ARG 32 1.792 -3.904 -14.395
262 HG2 ARG 32 2HG ARG 32 0.150 -5.645 -13.884
263 HG3 ARG 32 1HG ARG 32 -0.777 -5.182 -15.311
264 HD2 ARG 32 2HD ARG 32 2.066 -6.179 -15.334
265 HD3 ARG 32 1HD ARG 32 0.643 -7.157 -15.693
266 HH11 ARG 32 1HH1 ARG 32 1.700 -8.178 -16.973
267 HH12 ARG 32 2HH1 ARG 32 2.043 -8.410 -18.666
268 HH21 ARG 32 1HH2 ARG 32 1.289 -5.081 -19.552
269 HH22 ARG 32 2HH2 ARG 32 1.801 -6.636 -20.145
270 H TRP 33 H TRP 33 -1.696 -2.256 -12.197
271 HA TRP 33 HA TRP 33 -0.227 -3.074 -9.911
272 HD1 TRP 33 HD1 TRP 33 -2.418 0.339 -11.079
273 HE1 TRP 33 HE1 TRP 33 -0.979 2.221 -10.064
274 HE3 TRP 33 HE3 TRP 33 -0.240 -2.273 -7.274
275 HZ2 TRP 33 HZ2 TRP 33 0.837 2.546 -7.925
276 HZ3 TRP 33 HZ3 TRP 33 1.328 -1.111 -5.786
277 HH2 TRP 33 HH2 TRP 33 1.860 1.250 -6.111
278 HB2 TRP 33 2HB TRP 33 -3.031 -2.084 -10.334
279 HB3 TRP 33 1HB TRP 33 -2.460 -2.595 -8.746
280 H VAL 34 H VAL 34 0.167 -5.135 -9.587
281 HA VAL 34 HA VAL 34 -1.926 -7.116 -9.940
282 HB VAL 34 HB VAL 34 -0.206 -8.760 -9.258
283 HG11 VAL 34 1HG1 VAL 34 -0.487 -8.179 -11.614
284 HG12 VAL 34 2HG1 VAL 34 1.197 -8.547 -11.248
285 HG13 VAL 34 3HG1 VAL 34 0.682 -6.872 -11.437
286 HG21 VAL 34 3HG2 VAL 34 1.624 -6.365 -9.121
287 HG22 VAL 34 1HG2 VAL 34 2.124 -8.053 -9.006
288 HG23 VAL 34 2HG2 VAL 34 1.100 -7.350 -7.756
289 H ALA 35 H ALA 35 -2.378 -8.635 -8.142
290 HA ALA 35 HA ALA 35 -3.492 -7.261 -6.003
291 HB1 ALA 35 3HB ALA 35 -4.238 -9.463 -6.773
292 HB2 ALA 35 1HB ALA 35 -3.957 -9.433 -5.032
293 HB3 ALA 35 2HB ALA 35 -2.775 -10.186 -6.102
294 H SER 36 H SER 36 -0.413 -8.991 -6.170
295 HA SER 36 HA SER 36 0.185 -8.886 -3.425
296 HG SER 36 HG SER 36 1.604 -11.328 -4.479
297 HB2 SER 36 2HB SER 36 2.096 -8.999 -5.769
298 HB3 SER 36 1HB SER 36 2.461 -9.457 -4.104
299 H ARG 37 H ARG 37 0.742 -6.570 -6.026
300 HA ARG 37 HA ARG 37 2.409 -4.889 -4.372
301 HE ARG 37 HE ARG 37 5.376 -5.939 -7.960
302 HB2 ARG 37 2HB ARG 37 1.239 -4.450 -7.125
303 HB3 ARG 37 1HB ARG 37 2.305 -3.308 -6.309
304 HG2 ARG 37 2HG ARG 37 3.961 -5.211 -6.120
305 HG3 ARG 37 1HG ARG 37 2.930 -6.089 -7.245
306 HD2 ARG 37 2HD ARG 37 3.275 -4.426 -8.943
307 HD3 ARG 37 1HD ARG 37 4.153 -3.391 -7.812
308 HH11 ARG 37 1HH1 ARG 37 5.058 -2.958 -9.785
309 HH12 ARG 37 2HH1 ARG 37 6.554 -3.179 -10.632
310 HH21 ARG 37 1HH2 ARG 37 7.345 -6.215 -9.067
311 HH22 ARG 37 2HH2 ARG 37 7.862 -5.010 -10.219
312 H LYS 38 H LYS 38 -0.935 -4.964 -5.448
313 HA LYS 38 HA LYS 38 -1.747 -2.495 -4.353
314 HB2 LYS 38 2HB LYS 38 -3.281 -5.067 -4.748
315 HB3 LYS 38 1HB LYS 38 -4.022 -3.557 -4.244
316 HG2 LYS 38 2HG LYS 38 -3.234 -2.520 -6.350
317 HG3 LYS 38 1HG LYS 38 -2.628 -4.099 -6.856
318 HD2 LYS 38 2HD LYS 38 -4.862 -5.022 -6.760
319 HD3 LYS 38 1HD LYS 38 -5.496 -3.497 -6.147
320 HE2 LYS 38 2HE LYS 38 -4.915 -2.383 -8.215
321 HE3 LYS 38 1HE LYS 38 -4.159 -3.852 -8.827
322 HZ1 LYS 38 3HZ LYS 38 -6.277 -4.933 -8.881
323 HZ2 LYS 38 1HZ LYS 38 -6.404 -3.462 -9.711
324 HZ3 LYS 38 2HZ LYS 38 -7.042 -3.608 -8.147
325 H ALA 39 H ALA 39 -1.565 -5.751 -3.005
326 HA ALA 39 HA ALA 39 -2.710 -5.270 -0.514
327 HB1 ALA 39 3HB ALA 39 -0.523 -7.229 -1.205
328 HB2 ALA 39 1HB ALA 39 -2.256 -7.508 -1.378
329 HB3 ALA 39 2HB ALA 39 -1.555 -7.286 0.224
330 H ALA 40 H ALA 40 0.722 -5.137 -1.472
331 HA ALA 40 HA ALA 40 1.763 -4.526 1.042
332 HB1 ALA 40 3HB ALA 40 3.741 -3.732 -0.138
333 HB2 ALA 40 1HB ALA 40 2.832 -3.679 -1.648
334 HB3 ALA 40 2HB ALA 40 3.137 -5.226 -0.858
335 H VAL 41 H VAL 41 0.391 -2.415 -1.427
336 HA VAL 41 HA VAL 41 1.178 0.026 -0.192
337 HB VAL 41 HB VAL 41 -1.069 -0.504 -2.144
338 HG11 VAL 41 1HG1 VAL 41 -1.417 1.583 -0.908
339 HG12 VAL 41 2HG1 VAL 41 -1.015 1.896 -2.596
340 HG13 VAL 41 3HG1 VAL 41 0.207 2.114 -1.346
341 HG21 VAL 41 3HG2 VAL 41 1.127 -1.082 -3.028
342 HG22 VAL 41 1HG2 VAL 41 1.737 0.512 -2.584
343 HG23 VAL 41 2HG2 VAL 41 0.490 0.357 -3.820
344 H VAL 42 H VAL 42 -1.935 -1.711 -0.276
345 HA VAL 42 HA VAL 42 -3.261 0.170 1.369
346 HB VAL 42 HB VAL 42 -4.457 -1.358 -0.160
347 HG11 VAL 42 1HG1 VAL 42 -3.793 -3.487 1.863
348 HG12 VAL 42 2HG1 VAL 42 -3.221 -3.404 0.197
349 HG13 VAL 42 3HG1 VAL 42 -4.934 -3.661 0.530
350 HG21 VAL 42 3HG2 VAL 42 -5.288 -1.529 2.729
351 HG22 VAL 42 1HG2 VAL 42 -6.335 -1.845 1.345
352 HG23 VAL 42 2HG2 VAL 42 -5.670 -0.231 1.596
353 H LYS 43 H LYS 43 -1.568 -2.865 2.089
354 HA LYS 43 HA LYS 43 -2.326 -2.981 4.820
355 HB2 LYS 43 2HB LYS 43 0.054 -4.157 3.379
356 HB3 LYS 43 1HB LYS 43 -0.338 -4.498 5.058
357 HG2 LYS 43 2HG LYS 43 -2.412 -5.532 4.417
358 HG3 LYS 43 1HG LYS 43 -2.164 -5.067 2.732
359 HD2 LYS 43 2HD LYS 43 -0.105 -6.456 2.706
360 HD3 LYS 43 1HD LYS 43 -0.484 -6.984 4.347
361 HE2 LYS 43 2HE LYS 43 -2.554 -7.977 3.581
362 HE3 LYS 43 1HE LYS 43 -2.272 -7.370 1.949
363 HZ1 LYS 43 3HZ LYS 43 -0.228 -8.753 1.902
364 HZ2 LYS 43 1HZ LYS 43 -1.660 -9.659 2.032
365 HZ3 LYS 43 2HZ LYS 43 -0.682 -9.424 3.396
366 H ALA 44 H ALA 44 0.204 -1.302 3.085
367 HA ALA 44 HA ALA 44 1.824 -0.590 5.267
368 HB1 ALA 44 3HB ALA 44 2.528 -0.309 2.936
369 HB2 ALA 44 1HB ALA 44 2.666 1.199 3.836
370 HB3 ALA 44 2HB ALA 44 1.320 0.956 2.722
371 H VAL 45 H VAL 45 -0.909 1.084 3.747
372 HA VAL 45 HA VAL 45 -0.979 3.297 5.484
373 HB VAL 45 HB VAL 45 -3.277 2.012 3.994
374 HG11 VAL 45 1HG1 VAL 45 -4.366 4.186 4.168
375 HG12 VAL 45 2HG1 VAL 45 -3.007 4.802 5.107
376 HG13 VAL 45 3HG1 VAL 45 -4.028 3.523 5.766
377 HG21 VAL 45 3HG2 VAL 45 -1.460 2.625 2.497
378 HG22 VAL 45 1HG2 VAL 45 -1.432 4.254 3.175
379 HG23 VAL 45 2HG2 VAL 45 -2.841 3.698 2.272
380 H ILE 46 H ILE 46 -2.625 0.177 5.564
381 HA ILE 46 HA ILE 46 -4.291 0.649 7.757
382 HB ILE 46 HB ILE 46 -3.151 -1.922 6.665
383 HG12 ILE 46 2HG1 ILE 46 -5.896 -0.671 6.422
384 HG13 ILE 46 1HG1 ILE 46 -4.641 -0.592 5.190
385 HG21 ILE 46 1HG2 ILE 46 -5.324 -1.573 8.724
386 HG22 ILE 46 2HG2 ILE 46 -3.739 -2.300 8.985
387 HG23 ILE 46 3HG2 ILE 46 -4.907 -3.088 7.924
388 HD11 ILE 46 3HD1 ILE 46 -6.293 -2.274 4.638
389 HD12 ILE 46 1HD1 ILE 46 -6.004 -3.089 6.178
390 HD13 ILE 46 2HD1 ILE 46 -4.730 -3.027 4.960
391 H HIS 47 H HIS 47 -0.894 -0.217 7.652
392 HA HIS 47 HA HIS 47 -0.920 -0.743 10.538
393 HD1 HIS 47 HD1 HIS 47 -0.799 -3.110 11.058
394 HD2 HIS 47 HD2 HIS 47 0.754 -3.492 7.220
395 HE1 HIS 47 HE1 HIS 47 -1.555 -5.365 10.239
396 HE2 HIS 47 HE2 HIS 47 -0.748 -5.492 7.860
397 HB2 HIS 47 2HB HIS 47 1.254 -1.178 8.488
398 HB3 HIS 47 1HB HIS 47 1.439 -1.486 10.211
399 H GLY 48 H GLY 48 -0.436 1.832 8.480
400 HA2 GLY 48 2HA GLY 48 0.057 4.009 9.181
401 HA3 GLY 48 1HA GLY 48 0.759 3.355 10.651
402 H LEU 49 H LEU 49 1.894 1.726 7.947
403 HA LEU 49 HA LEU 49 4.557 2.649 8.179
404 HG LEU 49 HG LEU 49 5.564 2.113 5.395
405 HB2 LEU 49 2HB LEU 49 3.884 0.436 7.254
406 HB3 LEU 49 1HB LEU 49 3.233 1.249 5.845
407 HD11 LEU 49 1HD1 LEU 49 7.416 0.902 6.436
408 HD12 LEU 49 2HD1 LEU 49 6.275 0.066 7.490
409 HD13 LEU 49 3HD1 LEU 49 6.485 1.812 7.626
410 HD21 LEU 49 3HD2 LEU 49 5.137 -0.869 5.388
411 HD22 LEU 49 1HD2 LEU 49 6.324 0.005 4.418
412 HD23 LEU 49 2HD2 LEU 49 4.600 0.262 4.147
413 H ILE 50 H ILE 50 1.998 3.242 5.837
414 HA ILE 50 HA ILE 50 3.123 5.905 5.347
415 HB ILE 50 HB ILE 50 2.527 5.857 3.019
416 HG12 ILE 50 2HG1 ILE 50 1.639 2.985 3.345
417 HG13 ILE 50 1HG1 ILE 50 0.526 4.350 3.338
418 HG21 ILE 50 1HG2 ILE 50 4.036 4.112 2.140
419 HG22 ILE 50 2HG2 ILE 50 4.070 3.367 3.738
420 HG23 ILE 50 3HG2 ILE 50 4.731 4.985 3.507
421 HD11 ILE 50 3HD1 ILE 50 0.630 3.265 1.168
422 HD12 ILE 50 1HD1 ILE 50 2.366 3.574 1.088
423 HD13 ILE 50 2HD1 ILE 50 1.228 4.922 1.084
424 H THR 51 H THR 51 1.297 7.322 4.356
425 HA THR 51 HA THR 51 -1.188 6.604 5.745
426 HB THR 51 HB THR 51 -0.339 8.706 6.544
427 HG1 THR 51 HG1 THR 51 -2.220 9.687 6.418
428 HG21 THR 51 3HG2 THR 51 1.076 9.281 4.609
429 HG22 THR 51 1HG2 THR 51 0.057 10.629 5.122
430 HG23 THR 51 2HG2 THR 51 -0.372 9.692 3.695
431 H GLU 52 H GLU 52 -3.221 7.132 4.673
432 HA GLU 52 HA GLU 52 -3.430 5.966 2.150
433 HB2 GLU 52 2HB GLU 52 -5.268 6.247 3.841
434 HB3 GLU 52 1HB GLU 52 -5.376 7.934 3.364
435 HG2 GLU 52 2HG GLU 52 -5.845 7.141 1.028
436 HG3 GLU 52 1HG GLU 52 -5.972 5.508 1.687
437 H ARG 53 H ARG 53 -3.219 9.322 3.124
438 HA ARG 53 HA ARG 53 -3.751 10.490 0.612
439 HE ARG 53 HE ARG 53 -4.134 14.855 0.022
440 HB2 ARG 53 2HB ARG 53 -3.513 11.450 3.118
441 HB3 ARG 53 1HB ARG 53 -1.922 11.875 2.506
442 HG2 ARG 53 2HG ARG 53 -4.512 12.657 1.185
443 HG3 ARG 53 1HG ARG 53 -3.610 13.680 2.300
444 HD2 ARG 53 2HD ARG 53 -1.779 13.845 0.813
445 HD3 ARG 53 1HD ARG 53 -2.401 12.549 -0.208
446 HH11 ARG 53 1HH1 ARG 53 -1.466 13.417 -1.729
447 HH12 ARG 53 2HH1 ARG 53 -1.830 14.232 -3.221
448 HH21 ARG 53 1HH2 ARG 53 -4.618 15.929 -1.940
449 HH22 ARG 53 2HH2 ARG 53 -3.615 15.673 -3.332
450 H GLU 54 H GLU 54 -0.880 9.195 2.107
451 HA GLU 54 HA GLU 54 0.968 10.297 0.224
452 HB2 GLU 54 2HB GLU 54 1.769 9.710 2.421
453 HB3 GLU 54 1HB GLU 54 1.220 8.053 2.234
454 HG2 GLU 54 2HG GLU 54 2.883 7.622 0.565
455 HG3 GLU 54 1HG GLU 54 3.357 9.320 0.541
456 H ALA 55 H ALA 55 -0.815 7.281 0.547
457 HA ALA 55 HA ALA 55 0.547 5.864 -1.495
458 HB1 ALA 55 3HB ALA 55 -2.279 5.495 -0.496
459 HB2 ALA 55 1HB ALA 55 -0.837 4.758 0.201
460 HB3 ALA 55 2HB ALA 55 -1.345 4.326 -1.431
461 H LEU 56 H LEU 56 -2.457 7.750 -1.471
462 HA LEU 56 HA LEU 56 -3.079 7.486 -4.208
463 HG LEU 56 HG LEU 56 -4.455 7.815 -1.303
464 HB2 LEU 56 2HB LEU 56 -3.666 9.861 -2.439
465 HB3 LEU 56 1HB LEU 56 -4.538 9.382 -3.881
466 HD11 LEU 56 1HD1 LEU 56 -5.702 9.870 -1.040
467 HD12 LEU 56 2HD1 LEU 56 -6.800 8.491 -1.084
468 HD13 LEU 56 3HD1 LEU 56 -6.623 9.523 -2.502
469 HD21 LEU 56 3HD2 LEU 56 -4.717 6.395 -3.270
470 HD22 LEU 56 1HD2 LEU 56 -6.069 7.388 -3.811
471 HD23 LEU 56 2HD2 LEU 56 -6.202 6.456 -2.319
472 H ASP 57 H ASP 57 -0.994 9.628 -2.429
473 HA ASP 57 HA ASP 57 -0.453 11.523 -4.450
474 HB2 ASP 57 2HB ASP 57 -0.006 12.046 -2.145
475 HB3 ASP 57 1HB ASP 57 1.075 10.670 -1.986
476 H ARG 58 H ARG 58 1.560 8.847 -3.238
477 HA ARG 58 HA ARG 58 3.587 9.304 -5.164
478 HE ARG 58 HE ARG 58 4.262 4.277 -2.945
479 HB2 ARG 58 2HB ARG 58 4.570 7.175 -4.295
480 HB3 ARG 58 1HB ARG 58 4.215 8.372 -3.062
481 HG2 ARG 58 2HG ARG 58 2.110 7.141 -2.569
482 HG3 ARG 58 1HG ARG 58 2.656 5.885 -3.684
483 HD2 ARG 58 2HD ARG 58 4.416 6.804 -1.444
484 HD3 ARG 58 1HD ARG 58 3.137 5.630 -1.148
485 HH11 ARG 58 1HH1 ARG 58 6.088 6.586 -1.048
486 HH12 ARG 58 2HH1 ARG 58 7.560 5.667 -1.140
487 HH21 ARG 58 1HH2 ARG 58 6.183 3.078 -3.070
488 HH22 ARG 58 2HH2 ARG 58 7.622 3.681 -2.292
489 H TYR 59 H TYR 59 0.754 7.258 -5.224
490 HA TYR 59 HA TYR 59 1.840 5.916 -7.609
491 HD1 TYR 59 HD2 TYR 59 2.897 3.964 -7.112
492 HD2 TYR 59 HD1 TYR 59 0.181 4.095 -3.839
493 HE1 TYR 59 HE2 TYR 59 4.535 2.784 -5.707
494 HE2 TYR 59 HE1 TYR 59 1.818 2.926 -2.431
495 HH TYR 59 HH TYR 59 3.775 1.379 -2.781
496 HB2 TYR 59 2HB TYR 59 -0.438 5.065 -5.818
497 HB3 TYR 59 1HB TYR 59 0.128 4.183 -7.234
498 H SER 60 H SER 60 0.099 8.536 -7.022
499 HA SER 60 HA SER 60 -1.504 9.740 -8.093
500 HG SER 60 HG SER 60 1.100 9.009 -9.776
501 HB2 SER 60 2HB SER 60 -0.725 7.979 -10.436
502 HB3 SER 60 1HB SER 60 -1.576 9.521 -10.539
503 H LEU 61 H LEU 61 -2.678 8.022 -6.532
504 HA LEU 61 HA LEU 61 -4.630 6.503 -8.121
505 HG LEU 61 HG LEU 61 -2.162 5.246 -6.744
506 HB2 LEU 61 2HB LEU 61 -3.845 6.220 -5.221
507 HB3 LEU 61 1HB LEU 61 -5.088 5.278 -6.019
508 HD11 LEU 61 1HD1 LEU 61 -2.572 4.254 -4.562
509 HD12 LEU 61 2HD1 LEU 61 -2.167 3.015 -5.751
510 HD13 LEU 61 3HD1 LEU 61 -3.842 3.244 -5.251
511 HD21 LEU 61 3HD2 LEU 61 -3.618 4.770 -8.647
512 HD22 LEU 61 1HD2 LEU 61 -4.452 3.536 -7.701
513 HD23 LEU 61 2HD2 LEU 61 -2.754 3.326 -8.125
514 H SER 62 H SER 62 -6.800 6.658 -7.689
515 HA SER 62 HA SER 62 -7.646 8.949 -6.055
516 HG SER 62 HG SER 62 -7.807 8.555 -9.314
517 HB2 SER 62 2HB SER 62 -9.212 7.395 -8.139
518 HB3 SER 62 1HB SER 62 -9.750 8.852 -7.303
519 H GLU 63 H GLU 63 -9.670 8.613 -4.804
520 HA GLU 63 HA GLU 63 -9.322 6.522 -2.997
521 HB2 GLU 63 2HB GLU 63 -10.479 8.734 -2.624
522 HB3 GLU 63 1HB GLU 63 -11.879 8.053 -3.448
523 HG2 GLU 63 2HG GLU 63 -11.964 6.269 -1.789
524 HG3 GLU 63 1HG GLU 63 -10.597 7.002 -0.954
525 H GLU 64 H GLU 64 -11.408 6.827 -5.808
526 HA GLU 64 HA GLU 64 -13.061 4.634 -5.541
527 HB2 GLU 64 2HB GLU 64 -13.111 4.595 -8.026
528 HB3 GLU 64 1HB GLU 64 -13.325 6.205 -7.354
529 HG2 GLU 64 2HG GLU 64 -10.948 6.676 -7.798
530 HG3 GLU 64 1HG GLU 64 -10.795 5.085 -8.542
531 H GLU 65 H GLU 65 -9.673 4.726 -6.390
532 HA GLU 65 HA GLU 65 -9.569 1.960 -7.223
533 HB2 GLU 65 2HB GLU 65 -8.143 3.777 -8.201
534 HB3 GLU 65 1HB GLU 65 -7.326 3.915 -6.654
535 HG2 GLU 65 2HG GLU 65 -5.965 2.647 -8.143
536 HG3 GLU 65 1HG GLU 65 -6.575 1.573 -6.890
537 H PHE 66 H PHE 66 -8.154 3.893 -4.591
538 HA PHE 66 HA PHE 66 -6.939 1.761 -3.245
539 HD1 PHE 66 HD2 PHE 66 -4.574 2.761 -2.127
540 HD2 PHE 66 HD1 PHE 66 -7.972 3.669 0.268
541 HE1 PHE 66 HE2 PHE 66 -3.331 2.088 -0.118
542 HE2 PHE 66 HE1 PHE 66 -6.732 2.990 2.282
543 HZ PHE 66 HZ PHE 66 -4.409 2.201 2.091
544 HB2 PHE 66 2HB PHE 66 -6.427 4.201 -2.941
545 HB3 PHE 66 1HB PHE 66 -7.905 4.337 -1.995
546 H ALA 67 H ALA 67 -10.182 3.112 -2.968
547 HA ALA 67 HA ALA 67 -10.986 1.797 -0.628
548 HB1 ALA 67 3HB ALA 67 -13.275 2.140 -1.405
549 HB2 ALA 67 1HB ALA 67 -12.674 2.543 -3.013
550 HB3 ALA 67 2HB ALA 67 -12.296 3.588 -1.644
551 H LEU 68 H LEU 68 -10.958 0.751 -3.997
552 HA LEU 68 HA LEU 68 -12.312 -1.712 -3.563
553 HG LEU 68 HG LEU 68 -12.569 0.401 -5.804
554 HB2 LEU 68 2HB LEU 68 -10.452 -0.829 -5.769
555 HB3 LEU 68 1HB LEU 68 -11.325 -2.350 -5.777
556 HD11 LEU 68 1HD1 LEU 68 -11.516 -0.166 -7.915
557 HD12 LEU 68 2HD1 LEU 68 -13.272 -0.224 -8.071
558 HD13 LEU 68 3HD1 LEU 68 -12.348 -1.720 -7.935
559 HD21 LEU 68 3HD2 LEU 68 -13.850 -2.327 -5.938
560 HD22 LEU 68 1HD2 LEU 68 -14.684 -0.787 -6.138
561 HD23 LEU 68 2HD2 LEU 68 -13.952 -1.199 -4.588
562 H TRP 69 H TRP 69 -8.914 -0.744 -3.663
563 HA TRP 69 HA TRP 69 -7.716 -3.248 -3.501
564 HD1 TRP 69 HD1 TRP 69 -7.928 -1.391 -5.399
565 HE1 TRP 69 HE1 TRP 69 -6.445 -0.504 -7.300
566 HE3 TRP 69 HE3 TRP 69 -3.615 -0.674 -2.767
567 HZ2 TRP 69 HZ2 TRP 69 -3.783 0.369 -7.634
568 HZ3 TRP 69 HZ3 TRP 69 -1.644 0.190 -3.949
569 HH2 TRP 69 HH2 TRP 69 -1.727 0.697 -6.336
570 HB2 TRP 69 2HB TRP 69 -6.825 -0.644 -2.250
571 HB3 TRP 69 1HB TRP 69 -5.819 -2.082 -2.354
572 H ARG 70 H ARG 70 -8.740 -1.141 -0.801
573 HA ARG 70 HA ARG 70 -8.001 -3.069 1.153
574 HE ARG 70 HE ARG 70 -11.626 1.837 1.438
575 HB2 ARG 70 2HB ARG 70 -9.196 -1.607 2.759
576 HB3 ARG 70 1HB ARG 70 -7.991 -0.771 1.794
577 HG2 ARG 70 2HG ARG 70 -9.885 -0.011 0.308
578 HG3 ARG 70 1HG ARG 70 -10.979 -0.635 1.549
579 HD2 ARG 70 2HD ARG 70 -9.947 0.807 3.210
580 HD3 ARG 70 1HD ARG 70 -8.802 1.397 2.010
581 HH11 ARG 70 1HH1 ARG 70 -8.624 3.064 2.702
582 HH12 ARG 70 2HH1 ARG 70 -9.059 4.739 2.556
583 HH21 ARG 70 1HH2 ARG 70 -12.254 4.062 1.238
584 HH22 ARG 70 2HH2 ARG 70 -11.134 5.304 1.723
585 H SER 71 H SER 71 -10.888 -2.547 -0.701
586 HA SER 71 HA SER 71 -12.580 -4.122 0.997
587 HG SER 71 HG SER 71 -12.890 -1.532 -0.745
588 HB2 SER 71 2HB SER 71 -12.928 -3.411 -1.925
589 HB3 SER 71 1HB SER 71 -14.177 -4.055 -0.861
590 H ALA 72 H ALA 72 -10.314 -4.757 -1.554
591 HA ALA 72 HA ALA 72 -11.256 -7.491 -1.898
592 HB1 ALA 72 3HB ALA 72 -8.937 -6.066 -3.196
593 HB2 ALA 72 1HB ALA 72 -10.560 -6.214 -3.866
594 HB3 ALA 72 2HB ALA 72 -9.565 -7.653 -3.640
595 H VAL 73 H VAL 73 -8.333 -5.816 -0.751
596 HA VAL 73 HA VAL 73 -7.023 -8.305 -0.128
597 HB VAL 73 HB VAL 73 -6.184 -5.467 0.488
598 HG11 VAL 73 1HG1 VAL 73 -4.614 -8.040 0.627
599 HG12 VAL 73 2HG1 VAL 73 -5.113 -7.044 1.995
600 HG13 VAL 73 3HG1 VAL 73 -3.947 -6.421 0.827
601 HG21 VAL 73 3HG2 VAL 73 -6.338 -5.866 -1.902
602 HG22 VAL 73 1HG2 VAL 73 -5.371 -7.333 -1.742
603 HG23 VAL 73 2HG2 VAL 73 -4.647 -5.758 -1.412
604 H ALA 74 H ALA 74 -8.282 -5.573 1.795
605 HA ALA 74 HA ALA 74 -7.572 -6.867 4.264
606 HB1 ALA 74 3HB ALA 74 -8.570 -4.931 5.347
607 HB2 ALA 74 1HB ALA 74 -9.236 -4.397 3.802
608 HB3 ALA 74 2HB ALA 74 -7.489 -4.434 4.046
609 H ALA 75 H ALA 75 -10.031 -7.358 2.135
610 HA ALA 75 HA ALA 75 -11.693 -8.534 4.259
611 HB1 ALA 75 3HB ALA 75 -12.685 -7.355 1.664
612 HB2 ALA 75 1HB ALA 75 -12.835 -6.609 3.255
613 HB3 ALA 75 2HB ALA 75 -13.675 -8.120 2.906
614 H HIS 76 H HIS 76 -9.452 -9.474 2.444
615 HA HIS 76 HA HIS 76 -10.600 -11.383 0.657
616 HD1 HIS 76 HD1 HIS 76 -8.506 -12.441 -1.615
617 HD2 HIS 76 HD2 HIS 76 -7.315 -13.868 2.108
618 HE1 HIS 76 HE1 HIS 76 -7.691 -14.786 -2.011
619 HE2 HIS 76 HE2 HIS 76 -7.218 -15.705 0.294
620 HB2 HIS 76 2HB HIS 76 -8.350 -10.621 0.227
621 HB3 HIS 76 1HB HIS 76 -7.820 -11.126 1.824
622 H GLY 77 H GLY 77 -11.789 -13.019 1.347
623 HA2 GLY 77 2HA GLY 77 -10.777 -14.625 3.581
624 HA3 GLY 77 1HA GLY 77 -12.416 -13.997 3.675
625 H GLU 78 H GLU 78 -10.277 -16.250 2.098
626 HA GLU 78 HA GLU 78 -12.375 -17.475 0.540
627 HB2 GLU 78 2HB GLU 78 -10.719 -19.289 0.173
628 HB3 GLU 78 1HB GLU 78 -10.077 -17.701 -0.219
629 HG2 GLU 78 2HG GLU 78 -9.598 -18.888 2.476
630 HG3 GLU 78 1HG GLU 78 -8.622 -19.389 1.099
631 H LYS 79 H LYS 79 -11.384 -17.438 3.732
632 HA LYS 79 HA LYS 79 -12.358 -20.076 4.423
633 HB2 LYS 79 2HB LYS 79 -11.302 -17.842 6.173
634 HB3 LYS 79 1HB LYS 79 -11.603 -19.500 6.682
635 HG2 LYS 79 2HG LYS 79 -9.847 -20.337 5.358
636 HG3 LYS 79 1HG LYS 79 -9.692 -18.819 4.474
637 HD2 LYS 79 2HD LYS 79 -8.913 -17.720 6.522
638 HD3 LYS 79 1HD LYS 79 -9.056 -19.249 7.394
639 HE2 LYS 79 2HE LYS 79 -7.369 -20.258 6.021
640 HE3 LYS 79 1HE LYS 79 -7.324 -18.851 4.962
641 HZ1 LYS 79 3HZ LYS 79 -5.466 -18.939 6.548
642 HZ2 LYS 79 1HZ LYS 79 -6.567 -18.810 7.832
643 HZ3 LYS 79 2HZ LYS 79 -6.405 -17.538 6.721
644 H ALA 80 H ALA 80 -13.063 -16.749 5.535
645 HA ALA 80 HA ALA 80 -15.878 -17.068 5.276
646 HB1 ALA 80 3HB ALA 80 -15.576 -18.445 7.279
647 HB2 ALA 80 1HB ALA 80 -16.486 -16.978 7.643
648 HB3 ALA 80 2HB ALA 80 -14.784 -17.093 8.090
649 H LEU 81 H LEU 81 -17.050 -15.144 5.914
650 HA LEU 81 HA LEU 81 -15.400 -12.843 6.662
651 HG LEU 81 HG LEU 81 -14.505 -12.430 4.427
652 HB2 LEU 81 2HB LEU 81 -17.458 -12.889 4.451
653 HB3 LEU 81 1HB LEU 81 -16.824 -11.416 5.152
654 HD11 LEU 81 1HD1 LEU 81 -15.365 -14.584 3.705
655 HD12 LEU 81 2HD1 LEU 81 -14.672 -13.702 2.344
656 HD13 LEU 81 3HD1 LEU 81 -16.422 -13.790 2.538
657 HD21 LEU 81 3HD2 LEU 81 -14.725 -11.254 2.283
658 HD22 LEU 81 1HD2 LEU 81 -15.425 -10.335 3.616
659 HD23 LEU 81 2HD2 LEU 81 -16.475 -11.205 2.497
660 H LYS 82 H LYS 82 -16.435 -13.762 8.682
661 HA LYS 82 HA LYS 82 -19.197 -13.341 9.179
662 HB2 LYS 82 2HB LYS 82 -17.531 -14.786 10.474
663 HB3 LYS 82 1HB LYS 82 -16.972 -13.299 11.216
664 HG2 LYS 82 2HG LYS 82 -19.158 -12.925 12.183
665 HG3 LYS 82 1HG LYS 82 -19.776 -14.373 11.381
666 HD2 LYS 82 2HD LYS 82 -18.059 -15.702 12.598
667 HD3 LYS 82 1HD LYS 82 -17.620 -14.243 13.485
668 HE2 LYS 82 2HE LYS 82 -19.876 -14.097 14.387
669 HE3 LYS 82 1HE LYS 82 -20.347 -15.529 13.470
670 HZ1 LYS 82 3HZ LYS 82 -18.346 -15.398 15.659
671 HZ2 LYS 82 1HZ LYS 82 -18.635 -16.772 14.708
672 HZ3 LYS 82 2HZ LYS 82 -19.859 -16.164 15.705
673 H VAL 83 H VAL 83 -20.228 -11.536 10.149
674 HA VAL 83 HA VAL 83 -19.441 -9.077 9.184
675 HB VAL 83 HB VAL 83 -21.741 -9.540 9.840
676 HG11 VAL 83 1HG1 VAL 83 -20.756 -9.341 12.678
677 HG12 VAL 83 2HG1 VAL 83 -21.360 -10.793 11.880
678 HG13 VAL 83 3HG1 VAL 83 -22.445 -9.435 12.180
679 HG21 VAL 83 3HG2 VAL 83 -22.252 -7.379 10.925
680 HG22 VAL 83 1HG2 VAL 83 -21.119 -7.230 9.581
681 HG23 VAL 83 2HG2 VAL 83 -20.531 -7.164 11.242
682 H THR 84 H THR 84 -18.839 -10.385 12.413
683 HA THR 84 HA THR 84 -17.490 -8.032 13.356
684 HB THR 84 HB THR 84 -17.368 -10.844 14.422
685 HG1 THR 84 HG1 THR 84 -19.150 -8.874 15.389
686 HG21 THR 84 3HG2 THR 84 -15.716 -9.325 15.409
687 HG22 THR 84 1HG2 THR 84 -16.960 -9.745 16.588
688 HG23 THR 84 2HG2 THR 84 -16.995 -8.174 15.791
689 H MET 85 H MET 85 -16.632 -10.947 11.703
690 HA MET 85 HA MET 85 -13.888 -11.078 12.396
691 HB2 MET 85 2HB MET 85 -15.564 -12.837 11.299
692 HB3 MET 85 1HB MET 85 -14.894 -12.185 9.815
693 HG2 MET 85 2HG MET 85 -12.680 -12.838 10.452
694 HG3 MET 85 1HG MET 85 -13.247 -13.350 12.042
695 HE1 MET 85 3HE MET 85 -12.185 -15.736 11.838
696 HE2 MET 85 1HE MET 85 -11.496 -15.276 10.284
697 HE3 MET 85 2HE MET 85 -12.388 -16.790 10.439
698 H ILE 86 H ILE 86 -15.695 -9.530 9.812
699 HA ILE 86 HA ILE 86 -13.565 -8.907 8.089
700 HB ILE 86 HB ILE 86 -16.109 -7.334 8.536
701 HG12 ILE 86 2HG1 ILE 86 -16.030 -8.882 6.108
702 HG13 ILE 86 1HG1 ILE 86 -15.738 -9.930 7.495
703 HG21 ILE 86 1HG2 ILE 86 -15.730 -6.463 6.277
704 HG22 ILE 86 2HG2 ILE 86 -14.193 -7.327 6.205
705 HG23 ILE 86 3HG2 ILE 86 -14.420 -6.023 7.372
706 HD11 ILE 86 3HD1 ILE 86 -17.781 -9.213 8.527
707 HD12 ILE 86 1HD1 ILE 86 -18.112 -9.773 6.885
708 HD13 ILE 86 2HD1 ILE 86 -18.064 -8.043 7.232
709 H GLN 87 H GLN 87 -14.939 -7.139 10.832
710 HA GLN 87 HA GLN 87 -13.427 -4.801 10.596
711 HB2 GLN 87 2HB GLN 87 -15.328 -4.973 12.118
712 HB3 GLN 87 1HB GLN 87 -14.469 -6.160 13.090
713 HG2 GLN 87 2HG GLN 87 -12.774 -4.461 13.622
714 HG3 GLN 87 1HG GLN 87 -13.704 -3.276 12.707
715 HE21 GLN 87 1HE2 GLN 87 -15.634 -2.500 13.547
716 HE22 GLN 87 2HE2 GLN 87 -16.073 -2.726 15.206
717 H LYS 88 H LYS 88 -12.756 -7.842 12.266
718 HA LYS 88 HA LYS 88 -10.111 -6.889 12.985
719 HB2 LYS 88 2HB LYS 88 -11.650 -9.370 13.711
720 HB3 LYS 88 1HB LYS 88 -9.958 -9.141 14.147
721 HG2 LYS 88 2HG LYS 88 -10.557 -7.077 15.327
722 HG3 LYS 88 1HG LYS 88 -12.249 -7.349 14.927
723 HD2 LYS 88 2HD LYS 88 -12.297 -9.352 16.257
724 HD3 LYS 88 1HD LYS 88 -10.555 -9.251 16.539
725 HE2 LYS 88 2HE LYS 88 -10.841 -7.180 17.762
726 HE3 LYS 88 1HE LYS 88 -12.567 -7.180 17.411
727 HZ1 LYS 88 3HZ LYS 88 -11.190 -9.291 18.981
728 HZ2 LYS 88 1HZ LYS 88 -12.863 -9.107 18.762
729 HZ3 LYS 88 2HZ LYS 88 -11.993 -7.964 19.669
730 H TYR 89 H TYR 89 -11.241 -7.868 10.214
731 HA TYR 89 HA TYR 89 -8.835 -9.326 9.447
732 HD1 TYR 89 HD2 TYR 89 -8.945 -11.088 8.862
733 HD2 TYR 89 HD1 TYR 89 -12.670 -10.079 7.079
734 HE1 TYR 89 HE2 TYR 89 -9.562 -13.464 8.818
735 HE2 TYR 89 HE1 TYR 89 -13.297 -12.453 7.027
736 HH TYR 89 HH TYR 89 -12.417 -14.581 7.143
737 HB2 TYR 89 2HB TYR 89 -11.285 -8.386 7.981
738 HB3 TYR 89 1HB TYR 89 -9.826 -8.760 7.078
739 H ARG 90 H ARG 90 -10.460 -6.274 8.743
740 HA ARG 90 HA ARG 90 -8.274 -5.118 7.352
741 HE ARG 90 HE ARG 90 -13.311 -5.073 5.703
742 HB2 ARG 90 2HB ARG 90 -10.563 -3.660 8.675
743 HB3 ARG 90 1HB ARG 90 -9.578 -3.098 7.334
744 HG2 ARG 90 2HG ARG 90 -10.510 -4.888 5.925
745 HG3 ARG 90 1HG ARG 90 -11.533 -5.392 7.274
746 HD2 ARG 90 2HD ARG 90 -12.493 -3.083 7.297
747 HD3 ARG 90 1HD ARG 90 -11.593 -2.753 5.818
748 HH11 ARG 90 1HH1 ARG 90 -13.011 -1.635 5.118
749 HH12 ARG 90 2HH1 ARG 90 -14.409 -1.560 4.080
750 HH21 ARG 90 1HH2 ARG 90 -15.153 -4.974 4.311
751 HH22 ARG 90 2HH2 ARG 90 -15.600 -3.449 3.613
752 H GLN 91 H GLN 91 -9.107 -5.367 10.694
753 HA GLN 91 HA GLN 91 -6.977 -3.450 11.373
754 HB2 GLN 91 2HB GLN 91 -9.601 -3.872 12.824
755 HB3 GLN 91 1HB GLN 91 -8.299 -2.826 13.372
756 HG2 GLN 91 2HG GLN 91 -9.696 -2.469 10.736
757 HG3 GLN 91 1HG GLN 91 -10.219 -1.687 12.227
758 HE21 GLN 91 1HE2 GLN 91 -7.688 -1.868 9.815
759 HE22 GLN 91 2HE2 GLN 91 -6.940 -0.363 10.221
760 H LEU 92 H LEU 92 -7.074 -6.421 11.056
761 HA LEU 92 HA LEU 92 -7.086 -7.805 13.460
762 HG LEU 92 HG LEU 92 -7.155 -10.180 12.685
763 HB2 LEU 92 2HB LEU 92 -6.685 -8.523 10.926
764 HB3 LEU 92 1HB LEU 92 -5.007 -8.470 11.424
765 HD11 LEU 92 1HD1 LEU 92 -6.580 -10.949 10.462
766 HD12 LEU 92 2HD1 LEU 92 -5.933 -12.049 11.677
767 HD13 LEU 92 3HD1 LEU 92 -4.865 -10.903 10.866
768 HD21 LEU 92 3HD2 LEU 92 -5.319 -11.235 13.897
769 HD22 LEU 92 1HD2 LEU 92 -5.456 -9.522 14.294
770 HD23 LEU 92 2HD2 LEU 92 -4.189 -10.074 13.199
771 H HIS 93 H HIS 93 -4.187 -6.566 11.787
772 HA HIS 93 HA HIS 93 -2.929 -6.242 14.423
773 HD1 HIS 93 HD1 HIS 93 0.078 -8.188 14.279
774 HD2 HIS 93 HD2 HIS 93 0.013 -4.160 13.260
775 HE1 HIS 93 HE1 HIS 93 2.079 -7.166 15.412
776 HE2 HIS 93 HE2 HIS 93 1.841 -4.689 14.998
777 HB2 HIS 93 2HB HIS 93 -1.737 -7.656 12.677
778 HB3 HIS 93 1HB HIS 93 -1.524 -6.179 11.743
779 H HIS 94 H HIS 94 -4.007 -4.334 14.902
780 HA HIS 94 HA HIS 94 -3.780 -2.094 13.044
781 HD1 HIS 94 HD1 HIS 94 -5.989 -0.178 16.603
782 HD2 HIS 94 HD2 HIS 94 -5.312 0.059 12.504
783 HE1 HIS 94 HE1 HIS 94 -6.475 2.205 15.968
784 HE2 HIS 94 HE2 HIS 94 -6.301 2.254 13.459
785 HB2 HIS 94 2HB HIS 94 -5.955 -2.558 14.093
786 HB3 HIS 94 1HB HIS 94 -5.242 -2.325 15.685
787 H HIS 95 H HIS 95 -2.308 -3.324 15.877
788 HA HIS 95 HA HIS 95 -0.632 -0.933 15.986
789 HD1 HIS 95 HD1 HIS 95 -0.645 -2.967 20.100
790 HD2 HIS 95 HD2 HIS 95 -4.145 -2.695 17.871
791 HE1 HIS 95 HE1 HIS 95 -2.228 -4.646 21.112
792 HE2 HIS 95 HE2 HIS 95 -4.357 -4.439 19.773
793 HB2 HIS 95 2HB HIS 95 -0.590 -1.075 18.495
794 HB3 HIS 95 1HB HIS 95 -2.127 -0.561 17.818
Start of MODEL 18
1 HA MET 1 HA MET 1 13.201 12.086 4.573
2 H1 MET 1 1H MET 1 12.008 14.106 4.336
3 H2 MET 1 2H MET 1 12.101 13.382 2.810
4 H3 MET 1 3H MET 1 13.100 14.696 3.186
5 HB2 MET 1 2HB MET 1 14.926 13.196 2.350
6 HB3 MET 1 1HB MET 1 15.353 11.790 3.317
7 HG2 MET 1 2HG MET 1 12.933 12.049 1.547
8 HG3 MET 1 1HG MET 1 14.400 11.144 1.180
9 HE1 MET 1 3HE MET 1 12.887 9.009 0.656
10 HE2 MET 1 1HE MET 1 11.435 9.918 1.062
11 HE3 MET 1 2HE MET 1 11.719 8.334 1.790
12 H TYR 2 H TYR 2 15.767 12.000 5.223
13 HA TYR 2 HA TYR 2 17.274 12.655 6.771
14 HD1 TYR 2 HD2 TYR 2 19.748 13.826 6.019
15 HD2 TYR 2 HD1 TYR 2 16.554 15.295 3.625
16 HE1 TYR 2 HE2 TYR 2 21.146 13.577 4.013
17 HE2 TYR 2 HE1 TYR 2 17.941 15.041 1.611
18 HH TYR 2 HH TYR 2 20.351 14.943 1.018
19 HB2 TYR 2 2HB TYR 2 16.428 15.457 6.000
20 HB3 TYR 2 1HB TYR 2 17.815 15.065 7.013
21 H LEU 3 H LEU 3 15.087 15.371 7.372
22 HA LEU 3 HA LEU 3 13.927 13.862 9.603
23 HG LEU 3 HG LEU 3 15.582 14.353 11.252
24 HB2 LEU 3 2HB LEU 3 14.797 16.751 9.646
25 HB3 LEU 3 1HB LEU 3 13.660 16.084 10.801
26 HD11 LEU 3 1HD1 LEU 3 17.804 15.337 11.026
27 HD12 LEU 3 2HD1 LEU 3 17.109 16.708 10.161
28 HD13 LEU 3 3HD1 LEU 3 17.039 15.094 9.456
29 HD21 LEU 3 3HD2 LEU 3 15.665 17.201 12.236
30 HD22 LEU 3 1HD2 LEU 3 16.433 15.818 13.018
31 HD23 LEU 3 2HD2 LEU 3 14.677 15.897 12.893
32 H LYS 4 H LYS 4 13.116 17.158 8.824
33 HA LYS 4 HA LYS 4 11.354 18.179 7.867
34 HB2 LYS 4 2HB LYS 4 12.089 16.694 5.916
35 HB3 LYS 4 1HB LYS 4 10.793 15.606 6.383
36 HG2 LYS 4 2HG LYS 4 10.332 18.494 5.675
37 HG3 LYS 4 1HG LYS 4 10.296 17.191 4.491
38 HD2 LYS 4 2HD LYS 4 8.543 16.099 5.965
39 HD3 LYS 4 1HD LYS 4 8.464 17.631 6.834
40 HE2 LYS 4 2HE LYS 4 7.930 17.216 3.897
41 HE3 LYS 4 1HE LYS 4 6.719 17.493 5.143
42 HZ1 LYS 4 3HZ LYS 4 7.588 19.691 5.505
43 HZ2 LYS 4 1HZ LYS 4 7.267 19.493 3.852
44 HZ3 LYS 4 2HZ LYS 4 8.862 19.421 4.420
45 H ARG 5 H ARG 5 10.128 14.875 7.928
46 HA ARG 5 HA ARG 5 8.596 14.843 10.189
47 HE ARG 5 HE ARG 5 3.411 14.673 9.147
48 HB2 ARG 5 2HB ARG 5 7.346 16.744 9.589
49 HB3 ARG 5 1HB ARG 5 7.275 16.268 7.899
50 HG2 ARG 5 2HG ARG 5 5.723 14.476 8.454
51 HG3 ARG 5 1HG ARG 5 5.841 14.890 10.165
52 HD2 ARG 5 2HD ARG 5 4.858 17.066 9.732
53 HD3 ARG 5 1HD ARG 5 4.806 16.718 8.003
54 HH11 ARG 5 1HH1 ARG 5 3.146 18.161 9.280
55 HH12 ARG 5 2HH1 ARG 5 1.416 18.144 9.481
56 HH21 ARG 5 1HH2 ARG 5 1.165 14.638 9.391
57 HH22 ARG 5 2HH2 ARG 5 0.279 16.132 9.515
58 H VAL 6 H VAL 6 7.871 12.797 10.361
59 HA VAL 6 HA VAL 6 7.506 11.290 7.849
60 HB VAL 6 HB VAL 6 8.279 9.988 10.450
61 HG11 VAL 6 1HG1 VAL 6 8.561 9.160 7.563
62 HG12 VAL 6 2HG1 VAL 6 7.383 8.541 8.721
63 HG13 VAL 6 3HG1 VAL 6 9.102 8.218 8.953
64 HG21 VAL 6 3HG2 VAL 6 10.619 9.994 9.708
65 HG22 VAL 6 1HG2 VAL 6 10.019 11.628 9.986
66 HG23 VAL 6 2HG2 VAL 6 10.178 11.014 8.339
67 H ASP 7 H ASP 7 5.541 10.475 7.540
68 HA ASP 7 HA ASP 7 3.466 11.026 9.402
69 HB2 ASP 7 2HB ASP 7 2.012 9.808 7.756
70 HB3 ASP 7 1HB ASP 7 2.936 11.140 7.075
71 H GLY 8 H GLY 8 5.178 8.073 8.501
72 HA2 GLY 8 2HA GLY 8 3.938 6.774 10.829
73 HA3 GLY 8 1HA GLY 8 3.920 5.958 9.271
74 HA PRO 9 HA PRO 9 7.861 4.817 11.578
75 HB2 PRO 9 2HB PRO 9 6.915 2.080 11.050
76 HB3 PRO 9 1HB PRO 9 7.487 2.796 12.561
77 HG2 PRO 9 2HG PRO 9 4.898 2.188 12.172
78 HG3 PRO 9 1HG PRO 9 5.399 3.593 13.130
79 HD2 PRO 9 2HD PRO 9 4.403 3.479 10.308
80 HD3 PRO 9 1HD PRO 9 4.028 4.650 11.592
81 H ARG 10 H ARG 10 9.628 3.505 10.651
82 HA ARG 10 HA ARG 10 9.740 3.812 7.806
83 HE ARG 10 HE ARG 10 13.662 4.398 7.358
84 HB2 ARG 10 2HB ARG 10 11.694 2.526 9.724
85 HB3 ARG 10 1HB ARG 10 12.017 2.854 8.026
86 HG2 ARG 10 2HG ARG 10 11.667 5.261 8.466
87 HG3 ARG 10 1HG ARG 10 11.469 4.886 10.178
88 HD2 ARG 10 2HD ARG 10 13.728 5.624 9.776
89 HD3 ARG 10 1HD ARG 10 13.736 3.912 10.198
90 HH11 ARG 10 1HH1 ARG 10 15.769 4.146 10.142
91 HH12 ARG 10 2HH1 ARG 10 17.144 3.623 9.222
92 HH21 ARG 10 1HH2 ARG 10 15.474 3.716 6.136
93 HH22 ARG 10 2HH2 ARG 10 16.968 3.358 6.946
94 H GLN 11 H GLN 11 9.058 1.186 9.981
95 HA GLN 11 HA GLN 11 8.221 -0.436 7.759
96 HB2 GLN 11 2HB GLN 11 9.524 -2.432 8.505
97 HB3 GLN 11 1HB GLN 11 10.496 -1.154 7.796
98 HG2 GLN 11 2HG GLN 11 11.219 -0.440 9.993
99 HG3 GLN 11 1HG GLN 11 10.173 -1.641 10.751
100 HE21 GLN 11 1HE2 GLN 11 11.916 -2.326 7.821
101 HE22 GLN 11 2HE2 GLN 11 13.054 -3.430 8.517
102 H VAL 12 H VAL 12 6.757 -2.010 8.271
103 HA VAL 12 HA VAL 12 5.951 -2.190 11.102
104 HB VAL 12 HB VAL 12 3.600 -2.481 10.312
105 HG11 VAL 12 1HG1 VAL 12 3.178 -0.102 9.940
106 HG12 VAL 12 2HG1 VAL 12 4.889 0.150 9.592
107 HG13 VAL 12 3HG1 VAL 12 4.382 -0.344 11.208
108 HG21 VAL 12 3HG2 VAL 12 3.003 -1.711 8.067
109 HG22 VAL 12 1HG2 VAL 12 4.057 -3.126 8.009
110 HG23 VAL 12 2HG2 VAL 12 4.714 -1.522 7.679
111 H THR 13 H THR 13 4.516 -4.154 11.477
112 HA THR 13 HA THR 13 5.755 -6.438 10.088
113 HB THR 13 HB THR 13 4.306 -6.508 12.740
114 HG1 THR 13 HG1 THR 13 6.471 -5.194 12.312
115 HG21 THR 13 3HG2 THR 13 6.341 -8.368 11.493
116 HG22 THR 13 1HG2 THR 13 4.609 -8.676 11.614
117 HG23 THR 13 2HG2 THR 13 5.593 -8.570 13.077
118 H LEU 14 H LEU 14 4.529 -7.965 9.102
119 HA LEU 14 HA LEU 14 1.690 -7.412 8.737
120 HG LEU 14 HG LEU 14 2.961 -8.362 5.343
121 HB2 LEU 14 2HB LEU 14 3.535 -9.461 7.497
122 HB3 LEU 14 1HB LEU 14 1.819 -9.385 7.164
123 HD11 LEU 14 1HD1 LEU 14 0.911 -7.248 6.003
124 HD12 LEU 14 2HD1 LEU 14 2.080 -6.085 5.378
125 HD13 LEU 14 3HD1 LEU 14 1.811 -6.221 7.115
126 HD21 LEU 14 3HD2 LEU 14 5.074 -7.897 6.485
127 HD22 LEU 14 1HD2 LEU 14 4.304 -6.558 7.338
128 HD23 LEU 14 2HD2 LEU 14 4.482 -6.502 5.586
129 HA PRO 15 HA PRO 15 0.343 -10.633 11.571
130 HB2 PRO 15 2HB PRO 15 -1.951 -11.002 9.770
131 HB3 PRO 15 1HB PRO 15 -1.928 -10.471 11.454
132 HG2 PRO 15 2HG PRO 15 -2.510 -8.800 9.409
133 HG3 PRO 15 1HG PRO 15 -1.697 -8.250 10.886
134 HD2 PRO 15 2HD PRO 15 -0.552 -8.830 8.189
135 HD3 PRO 15 1HD PRO 15 -0.127 -7.554 9.347
136 H ASP 16 H ASP 16 0.988 -10.887 8.260
137 HA ASP 16 HA ASP 16 0.626 -13.729 7.997
138 HB2 ASP 16 2HB ASP 16 2.227 -11.881 6.212
139 HB3 ASP 16 1HB ASP 16 1.537 -13.442 5.788
140 H GLY 17 H GLY 17 2.856 -11.770 9.510
141 HA2 GLY 17 2HA GLY 17 4.768 -12.414 10.670
142 HA3 GLY 17 1HA GLY 17 4.752 -13.943 9.807
143 H THR 18 H THR 18 4.740 -10.664 8.534
144 HA THR 18 HA THR 18 7.372 -11.143 7.313
145 HB THR 18 HB THR 18 5.074 -9.812 5.857
146 HG1 THR 18 HG1 THR 18 5.966 -12.508 5.516
147 HG21 THR 18 3HG2 THR 18 7.671 -11.004 4.873
148 HG22 THR 18 1HG2 THR 18 7.304 -9.286 5.005
149 HG23 THR 18 2HG2 THR 18 6.417 -10.291 3.862
150 H VAL 19 H VAL 19 8.316 -9.010 6.492
151 HA VAL 19 HA VAL 19 7.517 -6.790 8.258
152 HB VAL 19 HB VAL 19 10.244 -7.334 7.058
153 HG11 VAL 19 1HG1 VAL 19 9.809 -4.943 7.252
154 HG12 VAL 19 2HG1 VAL 19 11.005 -5.457 8.445
155 HG13 VAL 19 3HG1 VAL 19 9.340 -5.154 8.941
156 HG21 VAL 19 3HG2 VAL 19 10.946 -7.721 9.386
157 HG22 VAL 19 1HG2 VAL 19 9.731 -8.886 8.857
158 HG23 VAL 19 2HG2 VAL 19 9.269 -7.547 9.907
159 H LEU 20 H LEU 20 6.922 -4.917 7.348
160 HA LEU 20 HA LEU 20 7.385 -4.581 4.460
161 HG LEU 20 HG LEU 20 5.204 -2.111 4.542
162 HB2 LEU 20 2HB LEU 20 5.083 -5.115 4.728
163 HB3 LEU 20 1HB LEU 20 4.909 -4.009 6.074
164 HD11 LEU 20 1HD1 LEU 20 6.589 -3.175 2.847
165 HD12 LEU 20 2HD1 LEU 20 5.134 -2.500 2.115
166 HD13 LEU 20 3HD1 LEU 20 5.254 -4.236 2.397
167 HD21 LEU 20 3HD2 LEU 20 3.063 -4.065 3.713
168 HD22 LEU 20 1HD2 LEU 20 3.045 -2.326 3.425
169 HD23 LEU 20 2HD2 LEU 20 2.977 -2.946 5.074
170 H SER 21 H SER 21 8.998 -3.135 4.454
171 HA SER 21 HA SER 21 8.834 -0.780 6.149
172 HG SER 21 HG SER 21 11.128 -3.125 5.255
173 HB2 SER 21 2HB SER 21 10.939 -1.324 4.067
174 HB3 SER 21 1HB SER 21 11.061 -0.325 5.513
175 H ARG 22 H ARG 22 9.189 1.376 5.093
176 HA ARG 22 HA ARG 22 7.252 1.837 3.087
177 HE ARG 22 HE ARG 22 7.711 6.260 3.713
178 HB2 ARG 22 2HB ARG 22 9.503 3.621 4.034
179 HB3 ARG 22 1HB ARG 22 8.165 4.144 3.020
180 HG2 ARG 22 2HG ARG 22 6.593 3.565 4.802
181 HG3 ARG 22 1HG ARG 22 7.942 3.071 5.825
182 HD2 ARG 22 2HD ARG 22 7.275 5.282 6.458
183 HD3 ARG 22 1HD ARG 22 8.839 5.382 5.652
184 HH11 ARG 22 1HH1 ARG 22 5.720 5.994 6.578
185 HH12 ARG 22 2HH1 ARG 22 4.619 7.257 6.097
186 HH21 ARG 22 1HH2 ARG 22 6.251 7.952 3.077
187 HH22 ARG 22 2HH2 ARG 22 4.956 8.389 4.148
188 H ALA 23 H ALA 23 10.480 0.807 2.913
189 HA ALA 23 HA ALA 23 10.757 1.567 0.107
190 HB1 ALA 23 3HB ALA 23 13.052 0.788 0.308
191 HB2 ALA 23 1HB ALA 23 12.732 0.229 1.949
192 HB3 ALA 23 2HB ALA 23 12.670 1.952 1.576
193 H ASP 24 H ASP 24 9.445 -0.945 1.844
194 HA ASP 24 HA ASP 24 10.256 -3.027 -0.044
195 HB2 ASP 24 2HB ASP 24 8.732 -3.080 2.549
196 HB3 ASP 24 1HB ASP 24 8.683 -4.451 1.448
197 H LEU 25 H LEU 25 8.084 -0.631 0.031
198 HA LEU 25 HA LEU 25 5.713 -1.853 -0.904
199 HG LEU 25 HG LEU 25 5.975 0.205 1.117
200 HB2 LEU 25 2HB LEU 25 6.830 0.933 -1.148
201 HB3 LEU 25 1HB LEU 25 5.267 0.484 -1.806
202 HD11 LEU 25 1HD1 LEU 25 6.076 2.557 0.419
203 HD12 LEU 25 2HD1 LEU 25 4.702 2.240 1.478
204 HD13 LEU 25 3HD1 LEU 25 4.454 2.413 -0.261
205 HD21 LEU 25 3HD2 LEU 25 3.552 0.052 1.387
206 HD22 LEU 25 1HD2 LEU 25 4.168 -1.236 0.350
207 HD23 LEU 25 2HD2 LEU 25 3.347 0.157 -0.361
208 HA PRO 26 HA PRO 26 6.538 -2.773 -5.180
209 HB2 PRO 26 2HB PRO 26 4.299 -1.648 -6.364
210 HB3 PRO 26 1HB PRO 26 4.339 -3.251 -5.626
211 HG2 PRO 26 2HG PRO 26 3.379 -0.658 -4.491
212 HG3 PRO 26 1HG PRO 26 2.679 -2.280 -4.332
213 HD2 PRO 26 2HD PRO 26 4.084 -1.175 -2.345
214 HD3 PRO 26 1HD PRO 26 4.207 -2.911 -2.699
215 HA PRO 27 HA PRO 27 8.567 0.697 -7.006
216 HB2 PRO 27 2HB PRO 27 8.061 0.222 -9.683
217 HB3 PRO 27 1HB PRO 27 9.345 -0.554 -8.749
218 HG2 PRO 27 2HG PRO 27 6.601 -1.559 -9.413
219 HG3 PRO 27 1HG PRO 27 8.155 -2.430 -9.442
220 HD2 PRO 27 2HD PRO 27 6.459 -2.758 -7.419
221 HD3 PRO 27 1HD PRO 27 8.207 -2.646 -7.112
222 H LEU 28 H LEU 28 8.166 2.738 -7.774
223 HA LEU 28 HA LEU 28 5.544 3.726 -7.481
224 HG LEU 28 HG LEU 28 8.349 4.407 -6.328
225 HB2 LEU 28 2HB LEU 28 7.977 5.043 -8.681
226 HB3 LEU 28 1HB LEU 28 6.507 5.876 -8.215
227 HD11 LEU 28 1HD1 LEU 28 8.939 6.626 -5.510
228 HD12 LEU 28 2HD1 LEU 28 7.923 7.363 -6.749
229 HD13 LEU 28 3HD1 LEU 28 9.356 6.446 -7.214
230 HD21 LEU 28 3HD2 LEU 28 6.032 4.360 -5.591
231 HD22 LEU 28 1HD2 LEU 28 5.915 6.107 -5.803
232 HD23 LEU 28 2HD2 LEU 28 6.991 5.439 -4.575
233 H ASP 29 H ASP 29 7.281 2.569 -10.227
234 HA ASP 29 HA ASP 29 5.436 3.837 -12.093
235 HB2 ASP 29 2HB ASP 29 7.892 3.807 -12.566
236 HB3 ASP 29 1HB ASP 29 7.799 2.053 -12.708
237 H THR 30 H THR 30 4.713 1.636 -10.190
238 HA THR 30 HA THR 30 3.979 -0.532 -11.950
239 HB THR 30 HB THR 30 3.065 0.052 -9.127
240 HG1 THR 30 HG1 THR 30 5.166 -0.478 -8.978
241 HG21 THR 30 3HG2 THR 30 2.768 -2.448 -10.796
242 HG22 THR 30 1HG2 THR 30 1.465 -1.347 -10.348
243 HG23 THR 30 2HG2 THR 30 2.301 -2.276 -9.103
244 H ARG 31 H ARG 31 2.608 0.034 -13.507
245 HA ARG 31 HA ARG 31 0.134 1.428 -12.734
246 HE ARG 31 HE ARG 31 2.686 3.762 -14.338
247 HB2 ARG 31 2HB ARG 31 1.910 1.808 -14.923
248 HB3 ARG 31 1HB ARG 31 0.405 1.178 -15.577
249 HG2 ARG 31 2HG ARG 31 0.450 3.622 -15.549
250 HG3 ARG 31 1HG ARG 31 -0.838 2.975 -14.536
251 HD2 ARG 31 2HD ARG 31 0.218 4.790 -13.373
252 HD3 ARG 31 1HD ARG 31 0.627 3.281 -12.559
253 HH11 ARG 31 1HH1 ARG 31 1.259 5.403 -11.587
254 HH12 ARG 31 2HH1 ARG 31 2.727 6.205 -11.125
255 HH21 ARG 31 1HH2 ARG 31 4.644 4.820 -13.726
256 HH22 ARG 31 2HH2 ARG 31 4.640 5.869 -12.342
257 H ARG 32 H ARG 32 -1.846 0.633 -13.844
258 HA ARG 32 HA ARG 32 -3.327 -0.994 -14.455
259 HE ARG 32 HE ARG 32 -3.975 -5.558 -16.404
260 HB2 ARG 32 2HB ARG 32 -1.541 -1.713 -16.104
261 HB3 ARG 32 1HB ARG 32 -0.980 -2.853 -14.894
262 HG2 ARG 32 2HG ARG 32 -3.811 -2.905 -15.868
263 HG3 ARG 32 1HG ARG 32 -2.516 -3.699 -16.762
264 HD2 ARG 32 2HD ARG 32 -1.940 -4.888 -14.609
265 HD3 ARG 32 1HD ARG 32 -3.457 -4.264 -13.965
266 HH11 ARG 32 1HH1 ARG 32 -3.064 -6.256 -13.100
267 HH12 ARG 32 2HH1 ARG 32 -3.669 -7.887 -13.144
268 HH21 ARG 32 1HH2 ARG 32 -4.795 -7.714 -16.452
269 HH22 ARG 32 2HH2 ARG 32 -4.639 -8.706 -15.033
270 H TRP 33 H TRP 33 -0.603 -2.451 -12.694
271 HA TRP 33 HA TRP 33 -0.416 -3.195 -10.563
272 HD1 TRP 33 HD1 TRP 33 -2.299 0.312 -10.974
273 HE1 TRP 33 HE1 TRP 33 -0.847 1.995 -9.678
274 HE3 TRP 33 HE3 TRP 33 -0.501 -2.803 -7.360
275 HZ2 TRP 33 HZ2 TRP 33 0.842 1.991 -7.409
276 HZ3 TRP 33 HZ3 TRP 33 1.021 -1.891 -5.660
277 HH2 TRP 33 HH2 TRP 33 1.681 0.459 -5.687
278 HB2 TRP 33 2HB TRP 33 -3.211 -2.110 -10.337
279 HB3 TRP 33 1HB TRP 33 -2.427 -2.951 -9.006
280 H VAL 34 H VAL 34 -0.857 -4.964 -9.257
281 HA VAL 34 HA VAL 34 -2.878 -6.866 -10.193
282 HB VAL 34 HB VAL 34 -1.323 -8.753 -9.831
283 HG11 VAL 34 1HG1 VAL 34 -1.605 -7.914 -12.091
284 HG12 VAL 34 2HG1 VAL 34 0.063 -8.428 -11.844
285 HG13 VAL 34 3HG1 VAL 34 -0.342 -6.710 -11.828
286 HG21 VAL 34 3HG2 VAL 34 1.085 -8.338 -9.621
287 HG22 VAL 34 1HG2 VAL 34 0.187 -7.705 -8.242
288 HG23 VAL 34 2HG2 VAL 34 0.768 -6.608 -9.493
289 H ALA 35 H ALA 35 -3.202 -8.606 -8.441
290 HA ALA 35 HA ALA 35 -4.196 -7.250 -6.222
291 HB1 ALA 35 3HB ALA 35 -4.743 -9.435 -5.309
292 HB2 ALA 35 1HB ALA 35 -3.658 -10.204 -6.469
293 HB3 ALA 35 2HB ALA 35 -5.104 -9.368 -7.033
294 H SER 36 H SER 36 -1.267 -9.248 -6.481
295 HA SER 36 HA SER 36 -0.615 -9.269 -3.765
296 HG SER 36 HG SER 36 0.195 -11.601 -4.756
297 HB2 SER 36 2HB SER 36 1.294 -9.380 -6.107
298 HB3 SER 36 1HB SER 36 1.606 -9.964 -4.472
299 H ARG 37 H ARG 37 0.227 -6.914 -6.275
300 HA ARG 37 HA ARG 37 2.002 -5.455 -4.561
301 HE ARG 37 HE ARG 37 3.986 -6.751 -9.069
302 HB2 ARG 37 2HB ARG 37 0.727 -4.622 -7.175
303 HB3 ARG 37 1HB ARG 37 2.029 -3.766 -6.358
304 HG2 ARG 37 2HG ARG 37 3.399 -5.852 -6.571
305 HG3 ARG 37 1HG ARG 37 2.122 -6.504 -7.591
306 HD2 ARG 37 2HD ARG 37 2.411 -4.569 -9.110
307 HD3 ARG 37 1HD ARG 37 3.770 -4.039 -8.118
308 HH11 ARG 37 1HH1 ARG 37 4.688 -3.383 -9.788
309 HH12 ARG 37 2HH1 ARG 37 5.966 -3.768 -10.904
310 HH21 ARG 37 1HH2 ARG 37 5.627 -7.246 -10.563
311 HH22 ARG 37 2HH2 ARG 37 6.458 -5.955 -11.383
312 H LYS 38 H LYS 38 -1.363 -5.194 -5.524
313 HA LYS 38 HA LYS 38 -1.941 -2.721 -4.302
314 HB2 LYS 38 2HB LYS 38 -3.734 -5.122 -4.733
315 HB3 LYS 38 1HB LYS 38 -4.295 -3.529 -4.246
316 HG2 LYS 38 2HG LYS 38 -3.438 -2.601 -6.349
317 HG3 LYS 38 1HG LYS 38 -2.936 -4.222 -6.841
318 HD2 LYS 38 2HD LYS 38 -5.264 -4.971 -6.701
319 HD3 LYS 38 1HD LYS 38 -5.756 -3.348 -6.218
320 HE2 LYS 38 2HE LYS 38 -4.911 -2.475 -8.351
321 HE3 LYS 38 1HE LYS 38 -4.476 -4.113 -8.838
322 HZ1 LYS 38 3HZ LYS 38 -7.205 -3.055 -8.338
323 HZ2 LYS 38 1HZ LYS 38 -6.859 -4.699 -8.584
324 HZ3 LYS 38 2HZ LYS 38 -6.554 -3.572 -9.813
325 H ALA 39 H ALA 39 -2.033 -6.039 -3.109
326 HA ALA 39 HA ALA 39 -3.101 -5.566 -0.577
327 HB1 ALA 39 3HB ALA 39 -2.861 -7.803 -1.545
328 HB2 ALA 39 1HB ALA 39 -2.139 -7.710 0.062
329 HB3 ALA 39 2HB ALA 39 -1.109 -7.691 -1.369
330 H ALA 40 H ALA 40 0.246 -5.445 -1.703
331 HA ALA 40 HA ALA 40 1.454 -5.089 0.818
332 HB1 ALA 40 3HB ALA 40 3.387 -4.256 -0.433
333 HB2 ALA 40 1HB ALA 40 2.400 -4.150 -1.889
334 HB3 ALA 40 2HB ALA 40 2.726 -5.722 -1.158
335 H VAL 41 H VAL 41 0.073 -2.801 -1.483
336 HA VAL 41 HA VAL 41 0.998 -0.466 -0.135
337 HB VAL 41 HB VAL 41 -1.287 -0.770 -2.093
338 HG11 VAL 41 1HG1 VAL 41 -1.038 1.639 -2.459
339 HG12 VAL 41 2HG1 VAL 41 0.176 1.706 -1.182
340 HG13 VAL 41 3HG1 VAL 41 -1.489 1.279 -0.793
341 HG21 VAL 41 3HG2 VAL 41 1.586 0.032 -2.519
342 HG22 VAL 41 1HG2 VAL 41 0.321 0.060 -3.749
343 HG23 VAL 41 2HG2 VAL 41 0.830 -1.472 -3.043
344 H VAL 42 H VAL 42 -2.126 -2.183 -0.186
345 HA VAL 42 HA VAL 42 -3.413 -0.310 1.515
346 HB VAL 42 HB VAL 42 -4.667 -1.794 0.001
347 HG11 VAL 42 1HG1 VAL 42 -5.083 -4.126 0.586
348 HG12 VAL 42 2HG1 VAL 42 -3.950 -3.993 1.932
349 HG13 VAL 42 3HG1 VAL 42 -3.370 -3.841 0.274
350 HG21 VAL 42 3HG2 VAL 42 -5.831 -0.753 1.838
351 HG22 VAL 42 1HG2 VAL 42 -5.380 -2.076 2.911
352 HG23 VAL 42 2HG2 VAL 42 -6.473 -2.371 1.561
353 H LYS 43 H LYS 43 -1.674 -3.336 2.138
354 HA LYS 43 HA LYS 43 -2.315 -3.528 4.881
355 HB2 LYS 43 2HB LYS 43 0.082 -4.508 3.327
356 HB3 LYS 43 1HB LYS 43 -0.127 -4.823 5.042
357 HG2 LYS 43 2HG LYS 43 -2.233 -6.001 4.547
358 HG3 LYS 43 1HG LYS 43 -1.960 -5.724 2.824
359 HD2 LYS 43 2HD LYS 43 0.136 -6.989 2.962
360 HD3 LYS 43 1HD LYS 43 -0.146 -7.273 4.678
361 HE2 LYS 43 2HE LYS 43 -2.267 -8.430 4.061
362 HE3 LYS 43 1HE LYS 43 -1.814 -8.258 2.369
363 HZ1 LYS 43 3HZ LYS 43 -0.316 -9.776 4.445
364 HZ2 LYS 43 1HZ LYS 43 0.207 -9.550 2.847
365 HZ3 LYS 43 2HZ LYS 43 -1.204 -10.434 3.160
366 H ALA 44 H ALA 44 0.159 -1.746 3.134
367 HA ALA 44 HA ALA 44 1.736 -0.934 5.293
368 HB1 ALA 44 3HB ALA 44 2.516 0.860 3.846
369 HB2 ALA 44 1HB ALA 44 1.162 0.585 2.751
370 HB3 ALA 44 2HB ALA 44 2.401 -0.653 2.953
371 H VAL 45 H VAL 45 -1.103 0.623 3.834
372 HA VAL 45 HA VAL 45 -1.051 2.872 5.574
373 HB VAL 45 HB VAL 45 -3.374 1.775 3.985
374 HG11 VAL 45 1HG1 VAL 45 -4.391 3.925 4.235
375 HG12 VAL 45 2HG1 VAL 45 -2.966 4.568 5.049
376 HG13 VAL 45 3HG1 VAL 45 -3.959 3.346 5.841
377 HG21 VAL 45 3HG2 VAL 45 -1.352 3.901 3.282
378 HG22 VAL 45 1HG2 VAL 45 -2.764 3.466 2.318
379 HG23 VAL 45 2HG2 VAL 45 -1.467 2.295 2.560
380 H ILE 46 H ILE 46 -2.857 -0.176 5.599
381 HA ILE 46 HA ILE 46 -4.538 0.498 7.772
382 HB ILE 46 HB ILE 46 -3.797 -2.185 6.606
383 HG12 ILE 46 2HG1 ILE 46 -6.256 -0.443 6.340
384 HG13 ILE 46 1HG1 ILE 46 -5.011 -0.657 5.118
385 HG21 ILE 46 1HG2 ILE 46 -4.490 -2.521 8.914
386 HG22 ILE 46 2HG2 ILE 46 -5.735 -3.100 7.807
387 HG23 ILE 46 3HG2 ILE 46 -5.939 -1.556 8.634
388 HD11 ILE 46 3HD1 ILE 46 -5.612 -3.014 4.925
389 HD12 ILE 46 1HD1 ILE 46 -6.985 -1.956 4.597
390 HD13 ILE 46 2HD1 ILE 46 -6.864 -2.792 6.147
391 H HIS 47 H HIS 47 -1.298 -0.790 7.631
392 HA HIS 47 HA HIS 47 -1.357 -1.537 10.441
393 HD1 HIS 47 HD1 HIS 47 -1.307 -3.781 10.680
394 HD2 HIS 47 HD2 HIS 47 0.748 -4.006 7.072
395 HE1 HIS 47 HE1 HIS 47 -1.854 -6.038 9.721
396 HE2 HIS 47 HE2 HIS 47 -0.739 -6.082 7.468
397 HB2 HIS 47 2HB HIS 47 0.846 -1.644 8.380
398 HB3 HIS 47 1HB HIS 47 1.082 -2.078 10.071
399 H GLY 48 H GLY 48 -0.939 1.278 8.724
400 HA2 GLY 48 2HA GLY 48 -0.643 3.373 9.744
401 HA3 GLY 48 1HA GLY 48 0.120 2.575 11.110
402 H LEU 49 H LEU 49 1.344 1.455 8.182
403 HA LEU 49 HA LEU 49 3.928 2.522 8.682
404 HG LEU 49 HG LEU 49 4.942 2.415 5.769
405 HB2 LEU 49 2HB LEU 49 3.614 0.379 7.554
406 HB3 LEU 49 1HB LEU 49 2.797 1.175 6.224
407 HD11 LEU 49 1HD1 LEU 49 5.987 2.155 7.940
408 HD12 LEU 49 2HD1 LEU 49 6.999 1.458 6.673
409 HD13 LEU 49 3HD1 LEU 49 6.044 0.405 7.721
410 HD21 LEU 49 3HD2 LEU 49 4.250 0.495 4.440
411 HD22 LEU 49 1HD2 LEU 49 5.021 -0.590 5.597
412 HD23 LEU 49 2HD2 LEU 49 6.002 0.527 4.648
413 H ILE 50 H ILE 50 1.756 3.007 5.907
414 HA ILE 50 HA ILE 50 2.858 5.729 5.655
415 HB ILE 50 HB ILE 50 2.505 5.648 3.257
416 HG12 ILE 50 2HG1 ILE 50 1.792 2.730 3.512
417 HG13 ILE 50 1HG1 ILE 50 0.568 3.994 3.443
418 HG21 ILE 50 1HG2 ILE 50 4.669 4.924 4.065
419 HG22 ILE 50 2HG2 ILE 50 4.215 3.998 2.634
420 HG23 ILE 50 3HG2 ILE 50 4.078 3.273 4.234
421 HD11 ILE 50 3HD1 ILE 50 0.931 2.967 1.269
422 HD12 ILE 50 1HD1 ILE 50 2.631 3.435 1.327
423 HD13 ILE 50 2HD1 ILE 50 1.375 4.676 1.260
424 H THR 51 H THR 51 1.375 7.285 4.726
425 HA THR 51 HA THR 51 -1.336 6.865 5.650
426 HB THR 51 HB THR 51 -0.451 8.963 6.283
427 HG1 THR 51 HG1 THR 51 -1.957 10.333 5.455
428 HG21 THR 51 3HG2 THR 51 0.465 10.604 4.707
429 HG22 THR 51 1HG2 THR 51 0.271 9.446 3.393
430 HG23 THR 51 2HG2 THR 51 1.399 9.109 4.703
431 H GLU 52 H GLU 52 -3.178 7.228 4.346
432 HA GLU 52 HA GLU 52 -3.283 6.013 1.871
433 HB2 GLU 52 2HB GLU 52 -5.039 7.856 3.390
434 HB3 GLU 52 1HB GLU 52 -5.369 7.694 1.671
435 HG2 GLU 52 2HG GLU 52 -6.056 5.554 1.857
436 HG3 GLU 52 1HG GLU 52 -4.991 5.204 3.213
437 H ARG 53 H ARG 53 -2.849 9.411 2.665
438 HA ARG 53 HA ARG 53 -3.062 10.405 0.038
439 HE ARG 53 HE ARG 53 -3.635 13.741 0.304
440 HB2 ARG 53 2HB ARG 53 -1.603 11.578 2.411
441 HB3 ARG 53 1HB ARG 53 -2.009 12.446 0.937
442 HG2 ARG 53 2HG ARG 53 -3.966 11.264 2.899
443 HG3 ARG 53 1HG ARG 53 -3.578 12.975 2.708
444 HD2 ARG 53 2HD ARG 53 -4.845 11.188 0.635
445 HD3 ARG 53 1HD ARG 53 -5.674 12.411 1.593
446 HH11 ARG 53 1HH1 ARG 53 -6.466 11.884 -0.625
447 HH12 ARG 53 2HH1 ARG 53 -6.670 12.718 -2.135
448 HH21 ARG 53 1HH2 ARG 53 -3.915 14.834 -1.690
449 HH22 ARG 53 2HH2 ARG 53 -5.236 14.375 -2.734
450 H GLU 54 H GLU 54 -0.436 8.999 1.823
451 HA GLU 54 HA GLU 54 1.681 9.747 0.083
452 HB2 GLU 54 2HB GLU 54 2.270 8.994 2.260
453 HB3 GLU 54 1HB GLU 54 1.310 7.535 2.102
454 HG2 GLU 54 2HG GLU 54 3.582 6.904 1.980
455 HG3 GLU 54 1HG GLU 54 2.919 6.762 0.355
456 H ALA 55 H ALA 55 -0.254 6.779 0.401
457 HA ALA 55 HA ALA 55 0.878 5.380 -1.745
458 HB1 ALA 55 3HB ALA 55 -1.107 3.970 -1.671
459 HB2 ALA 55 1HB ALA 55 -1.933 5.170 -0.676
460 HB3 ALA 55 2HB ALA 55 -0.521 4.321 -0.045
461 H LEU 56 H LEU 56 -1.927 7.532 -1.646
462 HA LEU 56 HA LEU 56 -2.716 7.179 -4.338
463 HG LEU 56 HG LEU 56 -3.980 7.446 -1.511
464 HB2 LEU 56 2HB LEU 56 -3.165 9.582 -2.563
465 HB3 LEU 56 1HB LEU 56 -4.087 9.159 -3.993
466 HD11 LEU 56 1HD1 LEU 56 -6.199 8.312 -0.993
467 HD12 LEU 56 2HD1 LEU 56 -6.090 9.426 -2.358
468 HD13 LEU 56 3HD1 LEU 56 -4.994 9.599 -0.986
469 HD21 LEU 56 3HD2 LEU 56 -5.924 6.353 -2.487
470 HD22 LEU 56 1HD2 LEU 56 -4.536 6.255 -3.571
471 HD23 LEU 56 2HD2 LEU 56 -5.827 7.414 -3.893
472 H ASP 57 H ASP 57 -0.387 9.277 -2.799
473 HA ASP 57 HA ASP 57 -0.130 11.070 -5.028
474 HB2 ASP 57 2HB ASP 57 0.267 11.806 -2.719
475 HB3 ASP 57 1HB ASP 57 1.621 10.697 -2.593
476 H ARG 58 H ARG 58 1.873 8.529 -3.600
477 HA ARG 58 HA ARG 58 4.027 8.954 -5.412
478 HE ARG 58 HE ARG 58 5.411 4.303 -2.812
479 HB2 ARG 58 2HB ARG 58 5.055 7.003 -4.374
480 HB3 ARG 58 1HB ARG 58 4.393 8.082 -3.160
481 HG2 ARG 58 2HG ARG 58 2.367 6.569 -3.106
482 HG3 ARG 58 1HG ARG 58 3.312 5.434 -4.071
483 HD2 ARG 58 2HD ARG 58 4.117 6.520 -1.372
484 HD3 ARG 58 1HD ARG 58 3.406 4.933 -1.656
485 HH11 ARG 58 1HH1 ARG 58 5.594 7.378 -1.124
486 HH12 ARG 58 2HH1 ARG 58 7.326 7.318 -0.976
487 HH21 ARG 58 1HH2 ARG 58 7.669 4.230 -2.613
488 HH22 ARG 58 2HH2 ARG 58 8.511 5.541 -1.823
489 H TYR 59 H TYR 59 1.255 6.794 -5.459
490 HA TYR 59 HA TYR 59 2.406 5.428 -7.791
491 HD1 TYR 59 HD2 TYR 59 3.383 3.446 -7.192
492 HD2 TYR 59 HD1 TYR 59 0.536 3.770 -4.051
493 HE1 TYR 59 HE2 TYR 59 4.928 2.281 -5.679
494 HE2 TYR 59 HE1 TYR 59 2.076 2.610 -2.528
495 HH TYR 59 HH TYR 59 3.980 1.057 -2.681
496 HB2 TYR 59 2HB TYR 59 0.025 4.676 -6.094
497 HB3 TYR 59 1HB TYR 59 0.643 3.745 -7.455
498 H SER 60 H SER 60 0.506 8.010 -7.199
499 HA SER 60 HA SER 60 -1.048 9.196 -8.341
500 HG SER 60 HG SER 60 0.769 9.871 -9.655
501 HB2 SER 60 2HB SER 60 -0.249 7.414 -10.658
502 HB3 SER 60 1HB SER 60 -1.139 8.933 -10.781
503 H LEU 61 H LEU 61 -2.510 8.066 -6.861
504 HA LEU 61 HA LEU 61 -4.397 6.335 -8.320
505 HG LEU 61 HG LEU 61 -1.893 5.118 -6.962
506 HB2 LEU 61 2HB LEU 61 -3.600 6.089 -5.416
507 HB3 LEU 61 1HB LEU 61 -4.819 5.124 -6.222
508 HD11 LEU 61 1HD1 LEU 61 -2.213 4.250 -4.713
509 HD12 LEU 61 2HD1 LEU 61 -1.805 2.952 -5.835
510 HD13 LEU 61 3HD1 LEU 61 -3.472 3.164 -5.298
511 HD21 LEU 61 3HD2 LEU 61 -4.202 3.354 -7.780
512 HD22 LEU 61 1HD2 LEU 61 -2.508 3.060 -8.177
513 HD23 LEU 61 2HD2 LEU 61 -3.327 4.489 -8.807
514 H SER 62 H SER 62 -6.572 6.538 -7.723
515 HA SER 62 HA SER 62 -7.270 9.074 -6.447
516 HG SER 62 HG SER 62 -7.382 9.103 -8.936
517 HB2 SER 62 2HB SER 62 -9.138 7.158 -7.857
518 HB3 SER 62 1HB SER 62 -9.380 8.877 -7.548
519 H GLU 63 H GLU 63 -9.143 9.059 -4.948
520 HA GLU 63 HA GLU 63 -8.744 7.355 -2.785
521 HB2 GLU 63 2HB GLU 63 -9.893 9.625 -2.860
522 HB3 GLU 63 1HB GLU 63 -11.322 8.773 -3.430
523 HG2 GLU 63 2HG GLU 63 -11.095 7.334 -1.368
524 HG3 GLU 63 1HG GLU 63 -9.944 8.540 -0.797
525 H GLU 64 H GLU 64 -11.173 7.306 -5.353
526 HA GLU 64 HA GLU 64 -12.697 5.143 -4.430
527 HB2 GLU 64 2HB GLU 64 -13.460 4.983 -6.812
528 HB3 GLU 64 1HB GLU 64 -13.590 6.588 -6.105
529 HG2 GLU 64 2HG GLU 64 -11.448 7.185 -7.213
530 HG3 GLU 64 1HG GLU 64 -11.483 5.616 -8.017
531 H GLU 65 H GLU 65 -9.655 5.228 -6.079
532 HA GLU 65 HA GLU 65 -9.643 2.535 -7.009
533 HB2 GLU 65 2HB GLU 65 -8.146 4.311 -7.893
534 HB3 GLU 65 1HB GLU 65 -7.314 4.354 -6.347
535 HG2 GLU 65 2HG GLU 65 -5.993 3.103 -7.874
536 HG3 GLU 65 1HG GLU 65 -6.667 1.983 -6.690
537 H PHE 66 H PHE 66 -8.040 4.138 -4.261
538 HA PHE 66 HA PHE 66 -7.056 1.761 -3.115
539 HD1 PHE 66 HD2 PHE 66 -4.603 2.276 -1.984
540 HD2 PHE 66 HD1 PHE 66 -7.742 3.614 0.558
541 HE1 PHE 66 HE2 PHE 66 -3.453 1.291 -0.048
542 HE2 PHE 66 HE1 PHE 66 -6.598 2.627 2.496
543 HZ PHE 66 HZ PHE 66 -4.450 1.464 2.197
544 HB2 PHE 66 2HB PHE 66 -6.208 4.084 -2.650
545 HB3 PHE 66 1HB PHE 66 -7.645 4.353 -1.668
546 H ALA 67 H ALA 67 -10.095 3.477 -2.782
547 HA ALA 67 HA ALA 67 -11.133 2.189 -0.525
548 HB1 ALA 67 3HB ALA 67 -12.180 4.137 -1.625
549 HB2 ALA 67 1HB ALA 67 -13.319 2.822 -1.344
550 HB3 ALA 67 2HB ALA 67 -12.671 3.095 -2.960
551 H LEU 68 H LEU 68 -11.112 1.235 -3.927
552 HA LEU 68 HA LEU 68 -12.610 -1.151 -3.587
553 HG LEU 68 HG LEU 68 -12.604 1.064 -5.731
554 HB2 LEU 68 2HB LEU 68 -10.605 -0.383 -5.708
555 HB3 LEU 68 1HB LEU 68 -11.641 -1.795 -5.783
556 HD11 LEU 68 1HD1 LEU 68 -13.225 0.652 -8.063
557 HD12 LEU 68 2HD1 LEU 68 -12.462 -0.935 -7.982
558 HD13 LEU 68 3HD1 LEU 68 -11.485 0.523 -7.817
559 HD21 LEU 68 3HD2 LEU 68 -14.786 0.078 -6.262
560 HD22 LEU 68 1HD2 LEU 68 -14.191 -0.455 -4.690
561 HD23 LEU 68 2HD2 LEU 68 -14.096 -1.535 -6.083
562 H TRP 69 H TRP 69 -9.138 -0.448 -3.697
563 HA TRP 69 HA TRP 69 -8.146 -3.041 -3.478
564 HD1 TRP 69 HD1 TRP 69 -8.214 -1.199 -5.434
565 HE1 TRP 69 HE1 TRP 69 -6.687 -0.392 -7.338
566 HE3 TRP 69 HE3 TRP 69 -3.868 -0.671 -2.799
567 HZ2 TRP 69 HZ2 TRP 69 -3.990 0.347 -7.673
568 HZ3 TRP 69 HZ3 TRP 69 -1.859 0.089 -3.991
569 HH2 TRP 69 HH2 TRP 69 -1.920 0.585 -6.377
570 HB2 TRP 69 2HB TRP 69 -7.037 -0.494 -2.279
571 HB3 TRP 69 1HB TRP 69 -6.147 -2.003 -2.394
572 H ARG 70 H ARG 70 -8.933 -0.771 -0.857
573 HA ARG 70 HA ARG 70 -8.193 -2.575 1.200
574 HE ARG 70 HE ARG 70 -9.638 1.117 3.716
575 HB2 ARG 70 2HB ARG 70 -9.082 -0.936 2.738
576 HB3 ARG 70 1HB ARG 70 -8.183 -0.119 1.469
577 HG2 ARG 70 2HG ARG 70 -10.539 0.096 0.358
578 HG3 ARG 70 1HG ARG 70 -11.110 -0.148 2.009
579 HD2 ARG 70 2HD ARG 70 -9.194 1.984 1.083
580 HD3 ARG 70 1HD ARG 70 -10.891 2.224 1.484
581 HH11 ARG 70 1HH1 ARG 70 -9.650 4.064 1.849
582 HH12 ARG 70 2HH1 ARG 70 -9.042 5.060 3.137
583 HH21 ARG 70 1HH2 ARG 70 -8.873 2.425 5.452
584 HH22 ARG 70 2HH2 ARG 70 -8.658 4.132 5.210
585 H SER 71 H SER 71 -11.121 -2.149 -0.601
586 HA SER 71 HA SER 71 -12.739 -3.623 1.275
587 HG SER 71 HG SER 71 -13.195 -1.090 -0.149
588 HB2 SER 71 2HB SER 71 -13.248 -2.855 -1.608
589 HB3 SER 71 1HB SER 71 -14.432 -3.621 -0.548
590 H ALA 72 H ALA 72 -11.020 -4.301 -1.744
591 HA ALA 72 HA ALA 72 -12.079 -6.909 -2.095
592 HB1 ALA 72 3HB ALA 72 -11.107 -5.617 -3.930
593 HB2 ALA 72 1HB ALA 72 -10.337 -7.195 -3.766
594 HB3 ALA 72 2HB ALA 72 -9.517 -5.747 -3.177
595 H VAL 73 H VAL 73 -9.281 -5.666 -0.406
596 HA VAL 73 HA VAL 73 -8.190 -8.280 0.104
597 HB VAL 73 HB VAL 73 -7.452 -5.577 1.237
598 HG11 VAL 73 1HG1 VAL 73 -5.400 -6.644 2.022
599 HG12 VAL 73 2HG1 VAL 73 -5.983 -8.205 1.446
600 HG13 VAL 73 3HG1 VAL 73 -6.819 -7.386 2.765
601 HG21 VAL 73 3HG2 VAL 73 -7.040 -5.730 -1.145
602 HG22 VAL 73 1HG2 VAL 73 -6.185 -7.257 -0.924
603 HG23 VAL 73 2HG2 VAL 73 -5.511 -5.764 -0.267
604 H ALA 74 H ALA 74 -9.719 -5.748 2.113
605 HA ALA 74 HA ALA 74 -9.500 -7.209 4.517
606 HB1 ALA 74 3HB ALA 74 -9.738 -4.791 4.475
607 HB2 ALA 74 1HB ALA 74 -10.991 -5.537 5.465
608 HB3 ALA 74 2HB ALA 74 -11.378 -4.953 3.845
609 H ALA 75 H ALA 75 -12.190 -6.843 2.219
610 HA ALA 75 HA ALA 75 -14.021 -8.333 3.834
611 HB1 ALA 75 3HB ALA 75 -14.802 -6.670 2.212
612 HB2 ALA 75 1HB ALA 75 -15.512 -8.258 1.917
613 HB3 ALA 75 2HB ALA 75 -14.197 -7.677 0.896
614 H HIS 76 H HIS 76 -11.433 -9.220 1.860
615 HA HIS 76 HA HIS 76 -12.521 -11.856 1.268
616 HD1 HIS 76 HD1 HIS 76 -11.676 -11.976 -2.124
617 HD2 HIS 76 HD2 HIS 76 -9.427 -13.928 0.781
618 HE1 HIS 76 HE1 HIS 76 -11.250 -14.287 -3.036
619 HE2 HIS 76 HE2 HIS 76 -10.006 -15.500 -1.199
620 HB2 HIS 76 2HB HIS 76 -10.992 -10.454 -0.295
621 HB3 HIS 76 1HB HIS 76 -9.685 -11.000 0.750
622 H GLY 77 H GLY 77 -10.610 -10.233 3.608
623 HA2 GLY 77 2HA GLY 77 -9.356 -12.699 4.549
624 HA3 GLY 77 1HA GLY 77 -9.004 -11.074 5.115
625 H GLU 78 H GLU 78 -12.204 -11.010 5.114
626 HA GLU 78 HA GLU 78 -12.338 -11.514 7.952
627 HB2 GLU 78 2HB GLU 78 -14.656 -10.638 7.758
628 HB3 GLU 78 1HB GLU 78 -13.428 -9.538 7.150
629 HG2 GLU 78 2HG GLU 78 -13.972 -10.125 4.878
630 HG3 GLU 78 1HG GLU 78 -15.124 -11.338 5.435
631 H LYS 79 H LYS 79 -12.085 -13.729 5.930
632 HA LYS 79 HA LYS 79 -14.418 -15.315 6.721
633 HB2 LYS 79 2HB LYS 79 -13.529 -17.006 5.125
634 HB3 LYS 79 1HB LYS 79 -13.896 -15.467 4.365
635 HG2 LYS 79 2HG LYS 79 -11.486 -14.889 4.487
636 HG3 LYS 79 1HG LYS 79 -11.172 -16.510 5.106
637 HD2 LYS 79 2HD LYS 79 -12.520 -15.941 2.468
638 HD3 LYS 79 1HD LYS 79 -10.792 -16.246 2.644
639 HE2 LYS 79 2HE LYS 79 -12.922 -18.170 3.557
640 HE3 LYS 79 1HE LYS 79 -12.179 -18.228 1.959
641 HZ1 LYS 79 3HZ LYS 79 -10.009 -18.477 3.074
642 HZ2 LYS 79 1HZ LYS 79 -11.071 -19.754 3.408
643 HZ3 LYS 79 2HZ LYS 79 -10.801 -18.554 4.574
644 H ALA 80 H ALA 80 -11.416 -14.520 7.785
645 HA ALA 80 HA ALA 80 -11.209 -16.965 9.401
646 HB1 ALA 80 3HB ALA 80 -8.877 -15.465 8.202
647 HB2 ALA 80 1HB ALA 80 -9.483 -17.028 7.655
648 HB3 ALA 80 2HB ALA 80 -8.780 -16.871 9.264
649 H LEU 81 H LEU 81 -11.901 -16.204 11.320
650 HA LEU 81 HA LEU 81 -11.026 -13.533 12.141
651 HG LEU 81 HG LEU 81 -13.237 -12.618 11.533
652 HB2 LEU 81 2HB LEU 81 -13.360 -15.202 13.067
653 HB3 LEU 81 1HB LEU 81 -12.883 -13.699 13.826
654 HD11 LEU 81 1HD1 LEU 81 -13.306 -14.670 10.215
655 HD12 LEU 81 2HD1 LEU 81 -14.802 -13.749 10.048
656 HD13 LEU 81 3HD1 LEU 81 -14.759 -15.180 11.079
657 HD21 LEU 81 3HD2 LEU 81 -14.724 -12.263 13.416
658 HD22 LEU 81 1HD2 LEU 81 -15.581 -13.760 13.048
659 HD23 LEU 81 2HD2 LEU 81 -15.650 -12.403 11.920
660 H LYS 82 H LYS 82 -8.945 -14.345 12.801
661 HA LYS 82 HA LYS 82 -8.605 -16.028 15.045
662 HB2 LYS 82 2HB LYS 82 -6.788 -15.196 13.500
663 HB3 LYS 82 1HB LYS 82 -6.926 -13.627 14.277
664 HG2 LYS 82 2HG LYS 82 -6.389 -14.796 16.451
665 HG3 LYS 82 1HG LYS 82 -5.974 -16.210 15.477
666 HD2 LYS 82 2HD LYS 82 -4.375 -14.778 14.209
667 HD3 LYS 82 1HD LYS 82 -4.714 -13.473 15.346
668 HE2 LYS 82 2HE LYS 82 -2.730 -14.497 16.105
669 HE3 LYS 82 1HE LYS 82 -4.007 -15.061 17.180
670 HZ1 LYS 82 3HZ LYS 82 -4.088 -17.138 15.990
671 HZ2 LYS 82 1HZ LYS 82 -2.489 -16.835 16.468
672 HZ3 LYS 82 2HZ LYS 82 -2.954 -16.587 14.858
673 H VAL 83 H VAL 83 -8.261 -15.377 17.293
674 HA VAL 83 HA VAL 83 -10.222 -13.665 18.291
675 HB VAL 83 HB VAL 83 -9.173 -15.424 19.637
676 HG11 VAL 83 1HG1 VAL 83 -6.992 -15.076 20.690
677 HG12 VAL 83 2HG1 VAL 83 -6.772 -13.605 19.741
678 HG13 VAL 83 3HG1 VAL 83 -6.865 -15.170 18.934
679 HG21 VAL 83 3HG2 VAL 83 -8.932 -12.674 20.848
680 HG22 VAL 83 1HG2 VAL 83 -9.013 -14.185 21.752
681 HG23 VAL 83 2HG2 VAL 83 -10.388 -13.664 20.779
682 H THR 84 H THR 84 -6.933 -12.965 17.345
683 HA THR 84 HA THR 84 -7.041 -10.266 18.418
684 HB THR 84 HB THR 84 -4.861 -11.456 16.716
685 HG1 THR 84 HG1 THR 84 -4.992 -11.575 19.565
686 HG21 THR 84 3HG2 THR 84 -3.423 -9.921 18.004
687 HG22 THR 84 1HG2 THR 84 -4.841 -9.338 18.876
688 HG23 THR 84 2HG2 THR 84 -4.694 -9.054 17.142
689 H MET 85 H MET 85 -8.313 -11.689 15.767
690 HA MET 85 HA MET 85 -7.426 -9.759 13.781
691 HB2 MET 85 2HB MET 85 -7.841 -12.226 13.291
692 HB3 MET 85 1HB MET 85 -9.554 -11.867 13.438
693 HG2 MET 85 2HG MET 85 -8.876 -11.890 11.120
694 HG3 MET 85 1HG MET 85 -9.395 -10.277 11.605
695 HE1 MET 85 3HE MET 85 -6.564 -9.618 8.945
696 HE2 MET 85 1HE MET 85 -8.239 -9.284 9.389
697 HE3 MET 85 2HE MET 85 -7.752 -10.921 8.955
698 H ILE 86 H ILE 86 -10.105 -10.264 15.923
699 HA ILE 86 HA ILE 86 -12.068 -8.804 14.521
700 HB ILE 86 HB ILE 86 -11.837 -9.157 17.518
701 HG12 ILE 86 2HG1 ILE 86 -13.836 -10.794 16.868
702 HG13 ILE 86 1HG1 ILE 86 -12.976 -10.852 15.335
703 HG21 ILE 86 1HG2 ILE 86 -14.202 -8.343 15.835
704 HG22 ILE 86 2HG2 ILE 86 -13.271 -7.281 16.890
705 HG23 ILE 86 3HG2 ILE 86 -14.210 -8.608 17.581
706 HD11 ILE 86 3HD1 ILE 86 -12.376 -12.688 16.841
707 HD12 ILE 86 1HD1 ILE 86 -11.777 -11.517 18.015
708 HD13 ILE 86 2HD1 ILE 86 -10.990 -11.672 16.445
709 H GLN 87 H GLN 87 -9.599 -7.825 16.848
710 HA GLN 87 HA GLN 87 -10.360 -5.136 17.094
711 HB2 GLN 87 2HB GLN 87 -8.710 -6.177 18.578
712 HB3 GLN 87 1HB GLN 87 -7.594 -6.355 17.232
713 HG2 GLN 87 2HG GLN 87 -7.031 -4.464 18.695
714 HG3 GLN 87 1HG GLN 87 -7.372 -3.967 17.037
715 HE21 GLN 87 1HE2 GLN 87 -7.869 -1.876 17.628
716 HE22 GLN 87 2HE2 GLN 87 -9.318 -1.454 18.479
717 H LYS 88 H LYS 88 -8.383 -6.822 14.729
718 HA LYS 88 HA LYS 88 -7.516 -4.516 13.344
719 HB2 LYS 88 2HB LYS 88 -7.745 -7.385 12.421
720 HB3 LYS 88 1HB LYS 88 -6.924 -6.107 11.531
721 HG2 LYS 88 2HG LYS 88 -5.379 -5.805 13.414
722 HG3 LYS 88 1HG LYS 88 -6.187 -7.121 14.269
723 HD2 LYS 88 2HD LYS 88 -5.552 -8.678 12.512
724 HD3 LYS 88 1HD LYS 88 -4.800 -7.365 11.600
725 HE2 LYS 88 2HE LYS 88 -3.110 -8.625 12.794
726 HE3 LYS 88 1HE LYS 88 -3.234 -6.993 13.450
727 HZ1 LYS 88 3HZ LYS 88 -3.111 -8.397 15.297
728 HZ2 LYS 88 1HZ LYS 88 -4.200 -9.525 14.642
729 HZ3 LYS 88 2HZ LYS 88 -4.757 -8.018 15.175
730 H TYR 89 H TYR 89 -10.376 -6.533 13.133
731 HA TYR 89 HA TYR 89 -11.403 -5.373 10.753
732 HD1 TYR 89 HD2 TYR 89 -11.468 -7.060 9.622
733 HD2 TYR 89 HD1 TYR 89 -13.108 -9.012 13.026
734 HE1 TYR 89 HE2 TYR 89 -10.921 -9.245 8.625
735 HE2 TYR 89 HE1 TYR 89 -12.567 -11.199 12.047
736 HH TYR 89 HH TYR 89 -10.541 -11.567 9.332
737 HB2 TYR 89 2HB TYR 89 -12.826 -6.703 13.065
738 HB3 TYR 89 1HB TYR 89 -13.615 -6.220 11.569
739 H ARG 90 H ARG 90 -11.652 -4.570 14.167
740 HA ARG 90 HA ARG 90 -13.640 -2.548 13.784
741 HE ARG 90 HE ARG 90 -12.003 -3.902 18.149
742 HB2 ARG 90 2HB ARG 90 -11.871 -3.186 16.146
743 HB3 ARG 90 1HB ARG 90 -13.141 -1.970 16.169
744 HG2 ARG 90 2HG ARG 90 -14.789 -3.727 15.645
745 HG3 ARG 90 1HG ARG 90 -13.497 -4.926 15.719
746 HD2 ARG 90 2HD ARG 90 -14.358 -3.124 17.981
747 HD3 ARG 90 1HD ARG 90 -14.788 -4.823 17.804
748 HH11 ARG 90 1HH1 ARG 90 -14.646 -6.054 18.970
749 HH12 ARG 90 2HH1 ARG 90 -13.659 -7.091 19.959
750 HH21 ARG 90 1HH2 ARG 90 -10.720 -5.226 19.490
751 HH22 ARG 90 2HH2 ARG 90 -11.434 -6.610 20.270
752 H GLN 91 H GLN 91 -10.232 -2.615 13.439
753 HA GLN 91 HA GLN 91 -10.093 0.314 13.688
754 HB2 GLN 91 2HB GLN 91 -7.690 0.094 13.748
755 HB3 GLN 91 1HB GLN 91 -8.388 -1.024 14.910
756 HG2 GLN 91 2HG GLN 91 -8.049 -2.869 13.379
757 HG3 GLN 91 1HG GLN 91 -7.433 -1.760 12.154
758 HE21 GLN 91 1HE2 GLN 91 -5.394 -0.854 12.410
759 HE22 GLN 91 2HE2 GLN 91 -4.236 -1.499 13.518
760 H LEU 92 H LEU 92 -10.595 -2.009 11.391
761 HA LEU 92 HA LEU 92 -8.983 -0.779 9.305
762 HG LEU 92 HG LEU 92 -8.352 -2.292 7.527
763 HB2 LEU 92 2HB LEU 92 -9.258 -3.300 9.718
764 HB3 LEU 92 1HB LEU 92 -10.843 -3.121 8.998
765 HD11 LEU 92 1HD1 LEU 92 -9.674 -5.006 7.497
766 HD12 LEU 92 2HD1 LEU 92 -8.103 -4.638 8.206
767 HD13 LEU 92 3HD1 LEU 92 -8.341 -4.482 6.466
768 HD21 LEU 92 3HD2 LEU 92 -10.474 -1.473 6.661
769 HD22 LEU 92 1HD2 LEU 92 -11.114 -3.115 6.638
770 HD23 LEU 92 2HD2 LEU 92 -9.780 -2.674 5.570
771 H HIS 93 H HIS 93 -9.761 0.775 8.081
772 HA HIS 93 HA HIS 93 -12.635 1.206 7.879
773 HD1 HIS 93 HD1 HIS 93 -13.834 3.179 8.394
774 HD2 HIS 93 HD2 HIS 93 -11.657 4.897 5.293
775 HE1 HIS 93 HE1 HIS 93 -15.352 4.907 7.374
776 HE2 HIS 93 HE2 HIS 93 -14.085 5.786 5.381
777 HB2 HIS 93 2HB HIS 93 -10.915 3.055 8.334
778 HB3 HIS 93 1HB HIS 93 -10.461 2.893 6.643
779 H HIS 94 H HIS 94 -13.784 0.537 6.179
780 HA HIS 94 HA HIS 94 -12.366 -0.955 4.134
781 HD1 HIS 94 HD1 HIS 94 -14.578 -1.499 7.286
782 HD2 HIS 94 HD2 HIS 94 -13.626 -4.173 4.243
783 HE1 HIS 94 HE1 HIS 94 -14.030 -3.672 8.434
784 HE2 HIS 94 HE2 HIS 94 -13.582 -5.309 6.567
785 HB2 HIS 94 2HB HIS 94 -15.292 -0.759 4.836
786 HB3 HIS 94 1HB HIS 94 -14.672 -1.740 3.513
787 H HIS 95 H HIS 95 -14.087 2.054 4.328
788 HA HIS 95 HA HIS 95 -13.576 2.425 1.464
789 HD1 HIS 95 HD1 HIS 95 -16.086 2.889 -0.788
790 HD2 HIS 95 HD2 HIS 95 -16.461 0.016 2.200
791 HE1 HIS 95 HE1 HIS 95 -16.958 0.820 -1.935
792 HE2 HIS 95 HE2 HIS 95 -17.325 -0.849 -0.081
793 HB2 HIS 95 2HB HIS 95 -16.194 2.804 2.878
794 HB3 HIS 95 1HB HIS 95 -15.790 3.836 1.514
Start of MODEL 19
1 HA MET 1 HA MET 1 7.425 16.535 9.414
2 H1 MET 1 1H MET 1 6.850 14.889 11.802
3 H2 MET 1 2H MET 1 8.342 15.104 11.030
4 H3 MET 1 3H MET 1 7.102 14.249 10.256
5 HB2 MET 1 2HB MET 1 5.309 15.352 9.102
6 HB3 MET 1 1HB MET 1 4.760 15.884 10.685
7 HG2 MET 1 2HG MET 1 4.808 18.205 9.919
8 HG3 MET 1 1HG MET 1 5.350 17.665 8.332
9 HE1 MET 1 3HE MET 1 2.697 15.898 10.673
10 HE2 MET 1 1HE MET 1 1.208 16.650 10.108
11 HE3 MET 1 2HE MET 1 2.423 17.618 10.943
12 H TYR 2 H TYR 2 5.707 16.527 12.542
13 HA TYR 2 HA TYR 2 6.086 19.372 12.815
14 HD1 TYR 2 HD2 TYR 2 4.470 20.940 13.780
15 HD2 TYR 2 HD1 TYR 2 4.741 18.035 16.883
16 HE1 TYR 2 HE2 TYR 2 4.117 22.702 15.457
17 HE2 TYR 2 HE1 TYR 2 4.389 19.793 18.565
18 HH TYR 2 HH TYR 2 3.341 22.937 17.745
19 HB2 TYR 2 2HB TYR 2 3.991 18.293 13.513
20 HB3 TYR 2 1HB TYR 2 4.873 17.333 14.693
21 H LEU 3 H LEU 3 7.300 16.434 14.332
22 HA LEU 3 HA LEU 3 9.242 18.071 15.832
23 HG LEU 3 HG LEU 3 6.622 17.055 17.074
24 HB2 LEU 3 2HB LEU 3 8.204 15.284 16.374
25 HB3 LEU 3 1HB LEU 3 9.467 16.073 17.303
26 HD11 LEU 3 1HD1 LEU 3 6.387 16.322 19.378
27 HD12 LEU 3 2HD1 LEU 3 8.031 15.684 19.356
28 HD13 LEU 3 3HD1 LEU 3 6.790 14.961 18.331
29 HD21 LEU 3 3HD2 LEU 3 8.242 18.851 17.425
30 HD22 LEU 3 1HD2 LEU 3 8.915 17.977 18.802
31 HD23 LEU 3 2HD2 LEU 3 7.261 18.588 18.868
32 H LYS 4 H LYS 4 9.723 17.646 13.185
33 HA LYS 4 HA LYS 4 11.204 16.859 11.649
34 HB2 LYS 4 2HB LYS 4 12.748 17.271 13.726
35 HB3 LYS 4 1HB LYS 4 12.763 15.520 13.854
36 HG2 LYS 4 2HG LYS 4 14.710 16.192 12.663
37 HG3 LYS 4 1HG LYS 4 13.612 15.425 11.513
38 HD2 LYS 4 2HD LYS 4 12.826 17.689 10.849
39 HD3 LYS 4 1HD LYS 4 14.057 18.382 11.906
40 HE2 LYS 4 2HE LYS 4 15.787 17.191 10.602
41 HE3 LYS 4 1HE LYS 4 14.528 16.614 9.509
42 HZ1 LYS 4 3HZ LYS 4 15.518 19.368 9.894
43 HZ2 LYS 4 1HZ LYS 4 13.980 19.087 9.238
44 HZ3 LYS 4 2HZ LYS 4 15.356 18.485 8.455
45 H ARG 5 H ARG 5 12.492 14.477 11.267
46 HA ARG 5 HA ARG 5 12.422 12.207 11.169
47 HE ARG 5 HE ARG 5 9.108 11.053 14.659
48 HB2 ARG 5 2HB ARG 5 12.080 12.296 13.588
49 HB3 ARG 5 1HB ARG 5 10.354 12.499 13.353
50 HG2 ARG 5 2HG ARG 5 10.167 10.276 12.444
51 HG3 ARG 5 1HG ARG 5 11.919 10.063 12.527
52 HD2 ARG 5 2HD ARG 5 10.687 8.981 14.390
53 HD3 ARG 5 1HD ARG 5 11.881 10.164 14.918
54 HH11 ARG 5 1HH1 ARG 5 11.783 10.113 16.700
55 HH12 ARG 5 2HH1 ARG 5 11.090 10.784 18.149
56 HH21 ARG 5 1HH2 ARG 5 8.181 11.964 16.556
57 HH22 ARG 5 2HH2 ARG 5 9.028 11.820 18.072
58 H VAL 6 H VAL 6 11.127 10.433 10.344
59 HA VAL 6 HA VAL 6 8.898 11.259 8.710
60 HB VAL 6 HB VAL 6 9.917 8.451 9.209
61 HG11 VAL 6 1HG1 VAL 6 8.872 7.938 7.066
62 HG12 VAL 6 2HG1 VAL 6 8.301 9.601 6.934
63 HG13 VAL 6 3HG1 VAL 6 7.689 8.556 8.218
64 HG21 VAL 6 3HG2 VAL 6 11.739 9.828 8.393
65 HG22 VAL 6 1HG2 VAL 6 10.731 10.413 7.066
66 HG23 VAL 6 2HG2 VAL 6 11.204 8.715 7.134
67 H ASP 7 H ASP 7 6.764 10.947 9.144
68 HA ASP 7 HA ASP 7 6.105 10.439 11.908
69 HB2 ASP 7 2HB ASP 7 4.293 11.113 9.581
70 HB3 ASP 7 1HB ASP 7 3.845 11.149 11.287
71 H GLY 8 H GLY 8 6.170 8.624 9.049
72 HA2 GLY 8 2HA GLY 8 4.515 6.541 10.316
73 HA3 GLY 8 1HA GLY 8 4.766 6.688 8.579
74 HA PRO 9 HA PRO 9 8.162 4.129 11.052
75 HB2 PRO 9 2HB PRO 9 6.425 1.840 10.269
76 HB3 PRO 9 1HB PRO 9 7.397 2.069 11.727
77 HG2 PRO 9 2HG PRO 9 4.746 2.338 11.806
78 HG3 PRO 9 1HG PRO 9 5.801 3.416 12.740
79 HD2 PRO 9 2HD PRO 9 4.327 3.938 10.195
80 HD3 PRO 9 1HD PRO 9 4.638 5.023 11.566
81 H ARG 10 H ARG 10 9.723 2.924 9.902
82 HA ARG 10 HA ARG 10 9.498 3.212 7.016
83 HE ARG 10 HE ARG 10 13.783 2.318 6.859
84 HB2 ARG 10 2HB ARG 10 11.842 2.823 6.920
85 HB3 ARG 10 1HB ARG 10 11.570 3.868 8.308
86 HG2 ARG 10 2HG ARG 10 11.681 1.877 9.768
87 HG3 ARG 10 1HG ARG 10 12.084 0.905 8.353
88 HD2 ARG 10 2HD ARG 10 13.681 3.220 9.447
89 HD3 ARG 10 1HD ARG 10 14.094 1.514 9.591
90 HH11 ARG 10 1HH1 ARG 10 15.989 2.246 9.578
91 HH12 ARG 10 2HH1 ARG 10 17.414 2.434 8.596
92 HH21 ARG 10 1HH2 ARG 10 15.661 2.552 5.550
93 HH22 ARG 10 2HH2 ARG 10 17.232 2.577 6.304
94 H GLN 11 H GLN 11 9.124 0.828 9.416
95 HA GLN 11 HA GLN 11 8.352 -1.079 7.406
96 HB2 GLN 11 2HB GLN 11 9.713 -2.928 8.314
97 HB3 GLN 11 1HB GLN 11 10.695 -1.664 7.588
98 HG2 GLN 11 2HG GLN 11 11.380 -0.855 9.699
99 HG3 GLN 11 1HG GLN 11 10.169 -1.822 10.538
100 HE21 GLN 11 1HE2 GLN 11 12.089 -3.060 7.897
101 HE22 GLN 11 2HE2 GLN 11 13.025 -4.163 8.844
102 H VAL 12 H VAL 12 6.709 -2.310 8.045
103 HA VAL 12 HA VAL 12 6.056 -2.320 10.918
104 HB VAL 12 HB VAL 12 3.658 -2.522 10.256
105 HG11 VAL 12 1HG1 VAL 12 4.663 -0.378 10.934
106 HG12 VAL 12 2HG1 VAL 12 3.342 -0.169 9.785
107 HG13 VAL 12 3HG1 VAL 12 5.016 -0.026 9.242
108 HG21 VAL 12 3HG2 VAL 12 4.685 -1.826 7.502
109 HG22 VAL 12 1HG2 VAL 12 2.989 -1.896 7.986
110 HG23 VAL 12 2HG2 VAL 12 3.969 -3.364 7.985
111 H THR 13 H THR 13 5.227 -4.230 11.782
112 HA THR 13 HA THR 13 6.000 -6.612 10.315
113 HB THR 13 HB THR 13 5.011 -6.384 13.165
114 HG1 THR 13 HG1 THR 13 7.720 -6.586 12.290
115 HG21 THR 13 3HG2 THR 13 4.884 -8.647 12.217
116 HG22 THR 13 1HG2 THR 13 6.117 -8.542 13.473
117 HG23 THR 13 2HG2 THR 13 6.589 -8.556 11.773
118 H LEU 14 H LEU 14 4.587 -7.784 9.225
119 HA LEU 14 HA LEU 14 1.800 -7.279 9.161
120 HG LEU 14 HG LEU 14 2.917 -8.926 5.943
121 HB2 LEU 14 2HB LEU 14 3.464 -9.610 8.202
122 HB3 LEU 14 1HB LEU 14 1.732 -9.546 7.981
123 HD11 LEU 14 1HD1 LEU 14 0.739 -7.920 6.346
124 HD12 LEU 14 2HD1 LEU 14 1.798 -6.811 5.467
125 HD13 LEU 14 3HD1 LEU 14 1.507 -6.576 7.192
126 HD21 LEU 14 3HD2 LEU 14 4.928 -7.993 7.026
127 HD22 LEU 14 1HD2 LEU 14 3.983 -6.575 7.481
128 HD23 LEU 14 2HD2 LEU 14 4.254 -6.945 5.779
129 HA PRO 15 HA PRO 15 0.191 -9.694 12.550
130 HB2 PRO 15 2HB PRO 15 -1.711 -10.903 10.624
131 HB3 PRO 15 1HB PRO 15 -2.032 -10.026 12.121
132 HG2 PRO 15 2HG PRO 15 -2.478 -8.896 9.746
133 HG3 PRO 15 1HG PRO 15 -1.843 -7.951 11.107
134 HD2 PRO 15 2HD PRO 15 -0.417 -9.038 8.716
135 HD3 PRO 15 1HD PRO 15 -0.189 -7.493 9.561
136 H ASP 16 H ASP 16 1.006 -11.179 9.516
137 HA ASP 16 HA ASP 16 1.088 -13.894 10.374
138 HB2 ASP 16 2HB ASP 16 1.012 -13.228 7.999
139 HB3 ASP 16 1HB ASP 16 2.597 -12.484 8.156
140 H GLY 17 H GLY 17 3.322 -11.209 10.463
141 HA2 GLY 17 2HA GLY 17 5.183 -11.293 12.065
142 HA3 GLY 17 1HA GLY 17 5.407 -12.974 11.590
143 H THR 18 H THR 18 4.534 -11.383 8.889
144 HA THR 18 HA THR 18 7.140 -11.435 7.729
145 HB THR 18 HB THR 18 4.806 -10.052 6.454
146 HG1 THR 18 HG1 THR 18 5.069 -12.877 6.831
147 HG21 THR 18 3HG2 THR 18 6.863 -12.006 5.412
148 HG22 THR 18 1HG2 THR 18 6.924 -10.253 5.230
149 HG23 THR 18 2HG2 THR 18 5.640 -11.174 4.451
150 H VAL 19 H VAL 19 8.010 -9.473 6.524
151 HA VAL 19 HA VAL 19 7.631 -7.060 8.175
152 HB VAL 19 HB VAL 19 10.085 -7.824 6.584
153 HG11 VAL 19 1HG1 VAL 19 11.143 -5.974 7.793
154 HG12 VAL 19 2HG1 VAL 19 9.602 -5.603 8.567
155 HG13 VAL 19 3HG1 VAL 19 9.779 -5.418 6.822
156 HG21 VAL 19 3HG2 VAL 19 9.762 -9.328 8.483
157 HG22 VAL 19 1HG2 VAL 19 9.614 -7.941 9.561
158 HG23 VAL 19 2HG2 VAL 19 11.143 -8.261 8.742
159 H LEU 20 H LEU 20 6.729 -5.391 7.211
160 HA LEU 20 HA LEU 20 6.963 -5.126 4.285
161 HG LEU 20 HG LEU 20 5.011 -2.544 4.440
162 HB2 LEU 20 2HB LEU 20 4.672 -5.509 4.865
163 HB3 LEU 20 1HB LEU 20 4.735 -4.325 6.154
164 HD11 LEU 20 1HD1 LEU 20 5.973 -3.909 2.659
165 HD12 LEU 20 2HD1 LEU 20 4.529 -3.058 2.109
166 HD13 LEU 20 3HD1 LEU 20 4.446 -4.776 2.495
167 HD21 LEU 20 3HD2 LEU 20 2.825 -3.038 5.376
168 HD22 LEU 20 1HD2 LEU 20 2.566 -4.283 4.151
169 HD23 LEU 20 2HD2 LEU 20 2.687 -2.589 3.676
170 H SER 21 H SER 21 8.689 -3.806 4.097
171 HA SER 21 HA SER 21 8.776 -1.410 5.765
172 HG SER 21 HG SER 21 10.495 -3.515 3.479
173 HB2 SER 21 2HB SER 21 11.080 -1.144 4.948
174 HB3 SER 21 1HB SER 21 10.834 -2.734 5.667
175 H ARG 22 H ARG 22 9.606 0.587 4.615
176 HA ARG 22 HA ARG 22 7.889 1.239 2.436
177 HE ARG 22 HE ARG 22 7.145 4.486 6.452
178 HB2 ARG 22 2HB ARG 22 10.188 2.702 3.735
179 HB3 ARG 22 1HB ARG 22 9.220 3.387 2.435
180 HG2 ARG 22 2HG ARG 22 7.232 3.260 3.782
181 HG3 ARG 22 1HG ARG 22 8.115 2.432 5.063
182 HD2 ARG 22 2HD ARG 22 9.421 4.378 5.520
183 HD3 ARG 22 1HD ARG 22 8.780 5.208 4.097
184 HH11 ARG 22 1HH1 ARG 22 8.027 6.739 3.903
185 HH12 ARG 22 2HH1 ARG 22 6.753 7.862 4.298
186 HH21 ARG 22 1HH2 ARG 22 5.471 5.955 6.942
187 HH22 ARG 22 2HH2 ARG 22 5.303 7.413 6.011
188 H ALA 23 H ALA 23 10.658 -0.522 2.564
189 HA ALA 23 HA ALA 23 11.463 0.116 -0.177
190 HB1 ALA 23 3HB ALA 23 13.353 -1.378 0.234
191 HB2 ALA 23 1HB ALA 23 12.706 -1.773 1.824
192 HB3 ALA 23 2HB ALA 23 13.255 -0.133 1.479
193 H ASP 24 H ASP 24 9.340 -1.835 1.494
194 HA ASP 24 HA ASP 24 9.376 -4.003 -0.463
195 HB2 ASP 24 2HB ASP 24 7.807 -3.562 2.077
196 HB3 ASP 24 1HB ASP 24 7.398 -4.843 0.942
197 H LEU 25 H LEU 25 7.803 -1.051 0.248
198 HA LEU 25 HA LEU 25 5.392 -1.276 -1.096
199 HG LEU 25 HG LEU 25 5.901 0.286 1.200
200 HB2 LEU 25 2HB LEU 25 7.319 1.016 -0.793
201 HB3 LEU 25 1HB LEU 25 5.815 1.194 -1.675
202 HD11 LEU 25 1HD1 LEU 25 5.340 2.602 1.785
203 HD12 LEU 25 2HD1 LEU 25 5.587 3.079 0.105
204 HD13 LEU 25 3HD1 LEU 25 6.944 2.478 1.059
205 HD21 LEU 25 3HD2 LEU 25 3.854 -0.227 -0.023
206 HD22 LEU 25 1HD2 LEU 25 3.723 1.457 -0.529
207 HD23 LEU 25 2HD2 LEU 25 3.565 1.034 1.174
208 HA PRO 26 HA PRO 26 6.669 -2.194 -5.248
209 HB2 PRO 26 2HB PRO 26 4.367 -1.380 -6.506
210 HB3 PRO 26 1HB PRO 26 4.547 -2.935 -5.691
211 HG2 PRO 26 2HG PRO 26 3.282 -0.414 -4.701
212 HG3 PRO 26 1HG PRO 26 2.737 -2.092 -4.518
213 HD2 PRO 26 2HD PRO 26 3.970 -0.769 -2.528
214 HD3 PRO 26 1HD PRO 26 4.202 -2.512 -2.782
215 HA PRO 27 HA PRO 27 8.262 1.662 -6.686
216 HB2 PRO 27 2HB PRO 27 8.693 1.031 -9.309
217 HB3 PRO 27 1HB PRO 27 9.740 0.488 -7.991
218 HG2 PRO 27 2HG PRO 27 7.534 -0.983 -9.386
219 HG3 PRO 27 1HG PRO 27 9.142 -1.565 -8.908
220 HD2 PRO 27 2HD PRO 27 6.944 -2.130 -7.467
221 HD3 PRO 27 1HD PRO 27 8.520 -1.846 -6.699
222 H LEU 28 H LEU 28 7.698 3.494 -7.891
223 HA LEU 28 HA LEU 28 4.946 3.816 -8.490
224 HG LEU 28 HG LEU 28 7.379 5.481 -6.951
225 HB2 LEU 28 2HB LEU 28 7.240 5.582 -9.343
226 HB3 LEU 28 1HB LEU 28 5.550 6.037 -9.282
227 HD11 LEU 28 1HD1 LEU 28 5.848 7.930 -7.810
228 HD12 LEU 28 2HD1 LEU 28 7.592 7.694 -7.924
229 HD13 LEU 28 3HD1 LEU 28 6.815 7.785 -6.344
230 HD21 LEU 28 3HD2 LEU 28 5.461 5.919 -5.507
231 HD22 LEU 28 1HD2 LEU 28 5.203 4.482 -6.496
232 HD23 LEU 28 2HD2 LEU 28 4.408 5.999 -6.921
233 H ASP 29 H ASP 29 7.530 2.559 -10.253
234 HA ASP 29 HA ASP 29 6.655 3.082 -12.904
235 HB2 ASP 29 2HB ASP 29 8.352 0.803 -11.851
236 HB3 ASP 29 1HB ASP 29 8.191 1.260 -13.542
237 H THR 30 H THR 30 5.396 1.153 -10.451
238 HA THR 30 HA THR 30 4.348 -0.907 -12.191
239 HB THR 30 HB THR 30 3.773 -0.399 -9.265
240 HG1 THR 30 HG1 THR 30 5.950 -0.935 -9.601
241 HG21 THR 30 3HG2 THR 30 3.248 -2.812 -11.006
242 HG22 THR 30 1HG2 THR 30 2.030 -1.715 -10.356
243 HG23 THR 30 2HG2 THR 30 2.974 -2.726 -9.264
244 H ARG 31 H ARG 31 2.945 0.025 -13.599
245 HA ARG 31 HA ARG 31 0.552 1.185 -12.374
246 HE ARG 31 HE ARG 31 -2.484 3.553 -13.673
247 HB2 ARG 31 2HB ARG 31 1.767 2.258 -14.407
248 HB3 ARG 31 1HB ARG 31 0.984 0.983 -15.335
249 HG2 ARG 31 2HG ARG 31 -0.371 2.956 -15.416
250 HG3 ARG 31 1HG ARG 31 -1.193 1.729 -14.446
251 HD2 ARG 31 2HD ARG 31 -0.066 2.860 -12.433
252 HD3 ARG 31 1HD ARG 31 0.236 4.203 -13.530
253 HH11 ARG 31 1HH1 ARG 31 -0.151 4.891 -11.437
254 HH12 ARG 31 2HH1 ARG 31 -1.325 5.783 -10.524
255 HH21 ARG 31 1HH2 ARG 31 -4.058 4.724 -12.462
256 HH22 ARG 31 2HH2 ARG 31 -3.544 5.701 -11.117
257 H ARG 32 H ARG 32 1.807 -1.591 -13.992
258 HA ARG 32 HA ARG 32 -0.774 -2.802 -14.398
259 HE ARG 32 HE ARG 32 3.521 -6.565 -14.066
260 HB2 ARG 32 2HB ARG 32 0.490 -4.816 -15.035
261 HB3 ARG 32 1HB ARG 32 1.041 -3.396 -15.908
262 HG2 ARG 32 2HG ARG 32 2.973 -3.222 -14.432
263 HG3 ARG 32 1HG ARG 32 2.415 -4.636 -13.531
264 HD2 ARG 32 2HD ARG 32 2.398 -5.561 -16.097
265 HD3 ARG 32 1HD ARG 32 3.782 -4.465 -16.116
266 HH11 ARG 32 1HH1 ARG 32 5.312 -5.043 -16.664
267 HH12 ARG 32 2HH1 ARG 32 6.750 -5.994 -16.400
268 HH21 ARG 32 1HH2 ARG 32 5.379 -7.840 -13.737
269 HH22 ARG 32 2HH2 ARG 32 6.780 -7.597 -14.743
270 H TRP 33 H TRP 33 -1.406 -2.319 -12.194
271 HA TRP 33 HA TRP 33 -0.140 -3.432 -9.951
272 HD1 TRP 33 HD1 TRP 33 -2.231 -0.006 -11.119
273 HE1 TRP 33 HE1 TRP 33 -0.914 1.873 -9.955
274 HE3 TRP 33 HE3 TRP 33 -0.384 -2.650 -7.163
275 HZ2 TRP 33 HZ2 TRP 33 0.696 2.188 -7.651
276 HZ3 TRP 33 HZ3 TRP 33 1.027 -1.492 -5.522
277 HH2 TRP 33 HH2 TRP 33 1.559 0.877 -5.762
278 HB2 TRP 33 2HB TRP 33 -2.937 -2.426 -10.410
279 HB3 TRP 33 1HB TRP 33 -2.389 -3.006 -8.840
280 H VAL 34 H VAL 34 -0.011 -5.412 -9.263
281 HA VAL 34 HA VAL 34 -2.106 -7.350 -9.958
282 HB VAL 34 HB VAL 34 -0.521 -9.101 -9.272
283 HG11 VAL 34 1HG1 VAL 34 -0.573 -8.437 -11.606
284 HG12 VAL 34 2HG1 VAL 34 1.068 -8.870 -11.128
285 HG13 VAL 34 3HG1 VAL 34 0.616 -7.173 -11.293
286 HG21 VAL 34 3HG2 VAL 34 0.745 -7.861 -7.609
287 HG22 VAL 34 1HG2 VAL 34 1.425 -6.833 -8.870
288 HG23 VAL 34 2HG2 VAL 34 1.825 -8.551 -8.821
289 H ALA 35 H ALA 35 -2.416 -9.017 -8.103
290 HA ALA 35 HA ALA 35 -3.723 -7.679 -6.047
291 HB1 ALA 35 3HB ALA 35 -4.287 -9.940 -6.762
292 HB2 ALA 35 1HB ALA 35 -4.028 -9.863 -5.020
293 HB3 ALA 35 2HB ALA 35 -2.782 -10.541 -6.067
294 H SER 36 H SER 36 -0.596 -9.376 -5.941
295 HA SER 36 HA SER 36 -0.112 -9.044 -3.212
296 HG SER 36 HG SER 36 2.096 -9.480 -2.662
297 HB2 SER 36 2HB SER 36 1.141 -10.602 -4.637
298 HB3 SER 36 1HB SER 36 1.897 -9.243 -5.466
299 H ARG 37 H ARG 37 0.790 -6.922 -5.931
300 HA ARG 37 HA ARG 37 2.319 -5.178 -4.272
301 HE ARG 37 HE ARG 37 5.178 -6.673 -7.910
302 HB2 ARG 37 2HB ARG 37 1.247 -4.758 -7.067
303 HB3 ARG 37 1HB ARG 37 2.377 -3.679 -6.253
304 HG2 ARG 37 2HG ARG 37 3.890 -5.704 -5.990
305 HG3 ARG 37 1HG ARG 37 2.819 -6.517 -7.127
306 HD2 ARG 37 2HD ARG 37 3.313 -4.837 -8.823
307 HD3 ARG 37 1HD ARG 37 4.343 -3.970 -7.680
308 HH11 ARG 37 1HH1 ARG 37 5.327 -3.610 -9.641
309 HH12 ARG 37 2HH1 ARG 37 6.768 -4.044 -10.513
310 HH21 ARG 37 1HH2 ARG 37 7.053 -7.225 -9.061
311 HH22 ARG 37 2HH2 ARG 37 7.757 -6.085 -10.171
312 H LYS 38 H LYS 38 -1.017 -5.176 -5.442
313 HA LYS 38 HA LYS 38 -1.739 -2.657 -4.367
314 HB2 LYS 38 2HB LYS 38 -3.379 -5.138 -4.877
315 HB3 LYS 38 1HB LYS 38 -4.073 -3.636 -4.289
316 HG2 LYS 38 2HG LYS 38 -3.151 -2.530 -6.349
317 HG3 LYS 38 1HG LYS 38 -2.768 -4.149 -6.943
318 HD2 LYS 38 2HD LYS 38 -5.122 -4.781 -6.727
319 HD3 LYS 38 1HD LYS 38 -5.505 -3.164 -6.141
320 HE2 LYS 38 2HE LYS 38 -4.687 -2.242 -8.289
321 HE3 LYS 38 1HE LYS 38 -4.436 -3.888 -8.863
322 HZ1 LYS 38 3HZ LYS 38 -6.526 -3.102 -9.670
323 HZ2 LYS 38 1HZ LYS 38 -7.023 -2.642 -8.118
324 HZ3 LYS 38 2HZ LYS 38 -6.834 -4.281 -8.489
325 H ALA 39 H ALA 39 -1.850 -5.937 -3.071
326 HA ALA 39 HA ALA 39 -3.083 -5.428 -0.634
327 HB1 ALA 39 3HB ALA 39 -2.119 -7.526 0.128
328 HB2 ALA 39 1HB ALA 39 -0.976 -7.508 -1.215
329 HB3 ALA 39 2HB ALA 39 -2.703 -7.682 -1.527
330 H ALA 40 H ALA 40 0.374 -5.398 -1.449
331 HA ALA 40 HA ALA 40 1.370 -4.895 1.114
332 HB1 ALA 40 3HB ALA 40 2.500 -3.910 -1.510
333 HB2 ALA 40 1HB ALA 40 2.772 -5.508 -0.812
334 HB3 ALA 40 2HB ALA 40 3.372 -4.070 0.014
335 H VAL 41 H VAL 41 0.292 -2.619 -1.405
336 HA VAL 41 HA VAL 41 0.991 -0.261 -0.017
337 HB VAL 41 HB VAL 41 -1.161 -0.649 -2.104
338 HG11 VAL 41 1HG1 VAL 41 -1.515 1.411 -0.855
339 HG12 VAL 41 2HG1 VAL 41 -0.948 1.764 -2.487
340 HG13 VAL 41 3HG1 VAL 41 0.163 1.880 -1.125
341 HG21 VAL 41 3HG2 VAL 41 0.521 0.194 -3.664
342 HG22 VAL 41 1HG2 VAL 41 1.052 -1.293 -2.884
343 HG23 VAL 41 2HG2 VAL 41 1.702 0.259 -2.357
344 H VAL 42 H VAL 42 -2.159 -1.932 -0.271
345 HA VAL 42 HA VAL 42 -3.502 -0.067 1.390
346 HB VAL 42 HB VAL 42 -4.687 -1.533 -0.203
347 HG11 VAL 42 1HG1 VAL 42 -4.116 -3.739 1.766
348 HG12 VAL 42 2HG1 VAL 42 -3.484 -3.610 0.126
349 HG13 VAL 42 3HG1 VAL 42 -5.211 -3.848 0.388
350 HG21 VAL 42 3HG2 VAL 42 -6.612 -2.014 1.215
351 HG22 VAL 42 1HG2 VAL 42 -5.907 -0.444 1.593
352 HG23 VAL 42 2HG2 VAL 42 -5.606 -1.823 2.649
353 H LYS 43 H LYS 43 -1.913 -3.186 2.098
354 HA LYS 43 HA LYS 43 -2.631 -3.295 4.834
355 HB2 LYS 43 2HB LYS 43 -0.198 -4.402 3.417
356 HB3 LYS 43 1HB LYS 43 -0.580 -4.732 5.099
357 HG2 LYS 43 2HG LYS 43 -2.553 -5.928 4.496
358 HG3 LYS 43 1HG LYS 43 -2.407 -5.425 2.809
359 HD2 LYS 43 2HD LYS 43 -0.252 -6.646 2.674
360 HD3 LYS 43 1HD LYS 43 -0.504 -7.212 4.325
361 HE2 LYS 43 2HE LYS 43 -2.493 -7.713 2.130
362 HE3 LYS 43 1HE LYS 43 -1.141 -8.798 2.438
363 HZ1 LYS 43 3HZ LYS 43 -3.199 -8.069 4.448
364 HZ2 LYS 43 1HZ LYS 43 -1.955 -9.206 4.644
365 HZ3 LYS 43 2HZ LYS 43 -3.207 -9.495 3.536
366 H ALA 44 H ALA 44 -0.107 -1.600 3.095
367 HA ALA 44 HA ALA 44 1.503 -0.860 5.282
368 HB1 ALA 44 3HB ALA 44 1.054 0.643 2.702
369 HB2 ALA 44 1HB ALA 44 2.232 -0.645 2.946
370 HB3 ALA 44 2HB ALA 44 2.396 0.875 3.823
371 H VAL 45 H VAL 45 -1.239 0.774 3.734
372 HA VAL 45 HA VAL 45 -1.178 3.046 5.451
373 HB VAL 45 HB VAL 45 -3.472 1.973 3.792
374 HG11 VAL 45 1HG1 VAL 45 -4.350 4.260 3.917
375 HG12 VAL 45 2HG1 VAL 45 -3.030 4.703 4.999
376 HG13 VAL 45 3HG1 VAL 45 -4.228 3.517 5.512
377 HG21 VAL 45 3HG2 VAL 45 -1.408 4.077 3.130
378 HG22 VAL 45 1HG2 VAL 45 -2.765 3.596 2.112
379 HG23 VAL 45 2HG2 VAL 45 -1.472 2.449 2.457
380 H ILE 46 H ILE 46 -2.988 0.019 5.435
381 HA ILE 46 HA ILE 46 -4.723 0.622 7.569
382 HB ILE 46 HB ILE 46 -3.789 -2.009 6.433
383 HG12 ILE 46 2HG1 ILE 46 -6.414 -0.514 6.238
384 HG13 ILE 46 1HG1 ILE 46 -5.183 -0.581 4.982
385 HG21 ILE 46 1HG2 ILE 46 -5.580 -3.092 7.691
386 HG22 ILE 46 2HG2 ILE 46 -5.937 -1.567 8.499
387 HG23 ILE 46 3HG2 ILE 46 -4.387 -2.364 8.769
388 HD11 ILE 46 3HD1 ILE 46 -6.753 -2.923 6.041
389 HD12 ILE 46 1HD1 ILE 46 -5.531 -2.985 4.769
390 HD13 ILE 46 2HD1 ILE 46 -7.031 -2.090 4.510
391 H HIS 47 H HIS 47 -1.491 -0.818 7.503
392 HA HIS 47 HA HIS 47 -1.559 -1.381 10.337
393 HD1 HIS 47 HD1 HIS 47 -1.882 -3.529 10.338
394 HD2 HIS 47 HD2 HIS 47 0.868 -4.123 7.279
395 HE1 HIS 47 HE1 HIS 47 -2.314 -5.849 9.477
396 HE2 HIS 47 HE2 HIS 47 -0.518 -6.245 7.768
397 HB2 HIS 47 2HB HIS 47 0.669 -1.594 8.313
398 HB3 HIS 47 1HB HIS 47 0.852 -2.006 10.013
399 H GLY 48 H GLY 48 -0.512 1.233 8.302
400 HA2 GLY 48 2HA GLY 48 -0.350 3.407 9.359
401 HA3 GLY 48 1HA GLY 48 0.382 2.621 10.746
402 H LEU 49 H LEU 49 1.635 1.253 7.996
403 HA LEU 49 HA LEU 49 4.240 2.217 8.308
404 HG LEU 49 HG LEU 49 5.128 2.165 5.364
405 HB2 LEU 49 2HB LEU 49 3.704 0.149 7.101
406 HB3 LEU 49 1HB LEU 49 2.897 1.073 5.849
407 HD11 LEU 49 1HD1 LEU 49 7.128 0.991 6.117
408 HD12 LEU 49 2HD1 LEU 49 6.133 -0.068 7.118
409 HD13 LEU 49 3HD1 LEU 49 6.218 1.657 7.474
410 HD21 LEU 49 3HD2 LEU 49 4.206 0.414 3.944
411 HD22 LEU 49 1HD2 LEU 49 4.908 -0.820 4.986
412 HD23 LEU 49 2HD2 LEU 49 5.957 0.259 4.068
413 H ILE 50 H ILE 50 1.891 2.990 5.756
414 HA ILE 50 HA ILE 50 3.051 5.697 5.618
415 HB ILE 50 HB ILE 50 2.556 5.792 3.227
416 HG12 ILE 50 2HG1 ILE 50 1.956 2.838 3.319
417 HG13 ILE 50 1HG1 ILE 50 0.685 4.054 3.410
418 HG21 ILE 50 1HG2 ILE 50 4.230 3.383 3.924
419 HG22 ILE 50 2HG2 ILE 50 4.780 5.059 3.921
420 HG23 ILE 50 3HG2 ILE 50 4.295 4.287 2.411
421 HD11 ILE 50 3HD1 ILE 50 2.632 3.701 1.144
422 HD12 ILE 50 1HD1 ILE 50 1.355 4.917 1.234
423 HD13 ILE 50 2HD1 ILE 50 0.937 3.204 1.155
424 H THR 51 H THR 51 1.454 7.326 4.823
425 HA THR 51 HA THR 51 -1.170 6.696 5.887
426 HB THR 51 HB THR 51 -0.322 8.821 6.586
427 HG1 THR 51 HG1 THR 51 -2.003 10.225 5.640
428 HG21 THR 51 3HG2 THR 51 1.236 9.206 4.703
429 HG22 THR 51 1HG2 THR 51 0.252 10.620 5.079
430 HG23 THR 51 2HG2 THR 51 -0.142 9.620 3.684
431 H GLU 52 H GLU 52 -3.095 7.171 4.735
432 HA GLU 52 HA GLU 52 -3.327 5.863 2.300
433 HB2 GLU 52 2HB GLU 52 -5.127 6.324 3.994
434 HB3 GLU 52 1HB GLU 52 -5.182 7.978 3.406
435 HG2 GLU 52 2HG GLU 52 -5.792 7.107 1.170
436 HG3 GLU 52 1HG GLU 52 -5.861 5.480 1.870
437 H ARG 53 H ARG 53 -3.092 9.304 3.034
438 HA ARG 53 HA ARG 53 -3.473 10.215 0.374
439 HE ARG 53 HE ARG 53 -6.283 10.314 2.353
440 HB2 ARG 53 2HB ARG 53 -2.152 11.575 2.731
441 HB3 ARG 53 1HB ARG 53 -2.595 12.370 1.227
442 HG2 ARG 53 2HG ARG 53 -4.498 11.054 3.156
443 HG3 ARG 53 1HG ARG 53 -4.241 12.789 2.969
444 HD2 ARG 53 2HD ARG 53 -5.661 12.882 1.255
445 HD3 ARG 53 1HD ARG 53 -4.829 11.566 0.426
446 HH11 ARG 53 1HH1 ARG 53 -7.080 12.571 -0.211
447 HH12 ARG 53 2HH1 ARG 53 -8.681 11.934 -0.431
448 HH21 ARG 53 1HH2 ARG 53 -8.350 9.437 2.030
449 HH22 ARG 53 2HH2 ARG 53 -9.422 10.166 0.860
450 H GLU 54 H GLU 54 -0.728 9.050 2.126
451 HA GLU 54 HA GLU 54 1.322 10.091 0.463
452 HB2 GLU 54 2HB GLU 54 1.828 9.271 2.686
453 HB3 GLU 54 1HB GLU 54 1.220 7.676 2.284
454 HG2 GLU 54 2HG GLU 54 3.600 7.604 2.316
455 HG3 GLU 54 1HG GLU 54 3.055 7.434 0.651
456 H ALA 55 H ALA 55 -0.464 7.035 0.557
457 HA ALA 55 HA ALA 55 0.869 5.846 -1.644
458 HB1 ALA 55 3HB ALA 55 -1.903 5.283 -0.589
459 HB2 ALA 55 1HB ALA 55 -0.411 4.557 0.007
460 HB3 ALA 55 2HB ALA 55 -0.952 4.232 -1.639
461 H LEU 56 H LEU 56 -2.191 7.619 -1.371
462 HA LEU 56 HA LEU 56 -2.966 7.427 -4.064
463 HG LEU 56 HG LEU 56 -4.274 7.460 -1.222
464 HB2 LEU 56 2HB LEU 56 -3.549 9.664 -2.121
465 HB3 LEU 56 1HB LEU 56 -4.436 9.319 -3.592
466 HD11 LEU 56 1HD1 LEU 56 -5.473 9.502 -0.658
467 HD12 LEU 56 2HD1 LEU 56 -6.574 8.129 -0.772
468 HD13 LEU 56 3HD1 LEU 56 -6.493 9.309 -2.081
469 HD21 LEU 56 3HD2 LEU 56 -4.651 6.301 -3.322
470 HD22 LEU 56 1HD2 LEU 56 -5.975 7.399 -3.711
471 HD23 LEU 56 2HD2 LEU 56 -6.117 6.294 -2.342
472 H ASP 57 H ASP 57 -0.789 9.593 -2.412
473 HA ASP 57 HA ASP 57 -0.608 11.524 -4.505
474 HB2 ASP 57 2HB ASP 57 -0.078 12.086 -2.179
475 HB3 ASP 57 1HB ASP 57 1.265 10.950 -2.199
476 H ARG 58 H ARG 58 1.654 9.029 -3.358
477 HA ARG 58 HA ARG 58 3.544 9.606 -5.395
478 HE ARG 58 HE ARG 58 4.280 7.717 -1.107
479 HB2 ARG 58 2HB ARG 58 4.768 7.661 -4.568
480 HB3 ARG 58 1HB ARG 58 4.231 8.691 -3.249
481 HG2 ARG 58 2HG ARG 58 2.417 7.157 -2.758
482 HG3 ARG 58 1HG ARG 58 2.906 6.132 -4.110
483 HD2 ARG 58 2HD ARG 58 3.709 5.309 -1.919
484 HD3 ARG 58 1HD ARG 58 5.012 5.653 -3.055
485 HH11 ARG 58 1HH1 ARG 58 6.557 5.260 -2.163
486 HH12 ARG 58 2HH1 ARG 58 7.868 5.899 -1.225
487 HH21 ARG 58 1HH2 ARG 58 5.998 8.551 0.116
488 HH22 ARG 58 2HH2 ARG 58 7.550 7.757 0.088
489 H TYR 59 H TYR 59 1.049 7.111 -5.073
490 HA TYR 59 HA TYR 59 2.000 5.808 -7.492
491 HD1 TYR 59 HD2 TYR 59 2.648 3.428 -7.177
492 HD2 TYR 59 HD1 TYR 59 0.607 4.468 -3.593
493 HE1 TYR 59 HE2 TYR 59 4.265 2.109 -5.883
494 HE2 TYR 59 HE1 TYR 59 2.223 3.147 -2.287
495 HH TYR 59 HH TYR 59 5.063 1.723 -3.792
496 HB2 TYR 59 2HB TYR 59 -0.271 5.151 -5.615
497 HB3 TYR 59 1HB TYR 59 0.117 4.210 -7.051
498 H SER 60 H SER 60 0.202 8.453 -6.932
499 HA SER 60 HA SER 60 -1.402 9.619 -8.032
500 HG SER 60 HG SER 60 -2.342 9.905 -10.153
501 HB2 SER 60 2HB SER 60 0.299 9.317 -9.863
502 HB3 SER 60 1HB SER 60 -0.627 7.923 -10.418
503 H LEU 61 H LEU 61 -2.740 8.212 -6.550
504 HA LEU 61 HA LEU 61 -4.601 6.553 -8.121
505 HG LEU 61 HG LEU 61 -2.149 5.345 -6.623
506 HB2 LEU 61 2HB LEU 61 -3.907 6.338 -5.190
507 HB3 LEU 61 1HB LEU 61 -5.105 5.367 -6.020
508 HD11 LEU 61 1HD1 LEU 61 -2.617 4.395 -4.435
509 HD12 LEU 61 2HD1 LEU 61 -2.176 3.130 -5.582
510 HD13 LEU 61 3HD1 LEU 61 -3.865 3.364 -5.134
511 HD21 LEU 61 3HD2 LEU 61 -2.692 3.366 -7.963
512 HD22 LEU 61 1HD2 LEU 61 -3.502 4.810 -8.568
513 HD23 LEU 61 2HD2 LEU 61 -4.406 3.620 -7.631
514 H SER 62 H SER 62 -6.815 6.533 -7.274
515 HA SER 62 HA SER 62 -7.559 9.121 -6.099
516 HG SER 62 HG SER 62 -8.061 9.827 -8.569
517 HB2 SER 62 2HB SER 62 -9.228 7.331 -7.884
518 HB3 SER 62 1HB SER 62 -9.662 8.942 -7.312
519 H GLU 63 H GLU 63 -9.567 9.043 -4.763
520 HA GLU 63 HA GLU 63 -9.347 7.078 -2.762
521 HB2 GLU 63 2HB GLU 63 -11.351 9.216 -3.351
522 HB3 GLU 63 1HB GLU 63 -11.683 8.031 -2.090
523 HG2 GLU 63 2HG GLU 63 -9.626 8.627 -0.965
524 HG3 GLU 63 1HG GLU 63 -9.253 9.798 -2.229
525 H GLU 64 H GLU 64 -11.530 7.356 -5.522
526 HA GLU 64 HA GLU 64 -13.203 5.194 -4.891
527 HB2 GLU 64 2HB GLU 64 -13.683 5.064 -7.300
528 HB3 GLU 64 1HB GLU 64 -13.717 6.725 -6.722
529 HG2 GLU 64 2HG GLU 64 -11.480 7.086 -7.634
530 HG3 GLU 64 1HG GLU 64 -11.452 5.422 -8.220
531 H GLU 65 H GLU 65 -10.014 5.322 -6.315
532 HA GLU 65 HA GLU 65 -9.900 2.595 -7.134
533 HB2 GLU 65 2HB GLU 65 -8.488 4.383 -8.108
534 HB3 GLU 65 1HB GLU 65 -7.663 4.555 -6.568
535 HG2 GLU 65 2HG GLU 65 -6.263 3.292 -7.997
536 HG3 GLU 65 1HG GLU 65 -6.916 2.189 -6.787
537 H PHE 66 H PHE 66 -8.414 4.378 -4.417
538 HA PHE 66 HA PHE 66 -7.261 2.107 -3.214
539 HD1 PHE 66 HD2 PHE 66 -4.846 2.938 -1.952
540 HD2 PHE 66 HD1 PHE 66 -8.288 3.814 0.391
541 HE1 PHE 66 HE2 PHE 66 -3.706 2.064 0.046
542 HE2 PHE 66 HE1 PHE 66 -7.150 2.952 2.393
543 HZ PHE 66 HZ PHE 66 -4.858 2.070 2.220
544 HB2 PHE 66 2HB PHE 66 -6.610 4.476 -2.743
545 HB3 PHE 66 1HB PHE 66 -8.099 4.656 -1.822
546 H ALA 67 H ALA 67 -10.432 3.597 -2.875
547 HA ALA 67 HA ALA 67 -11.298 2.122 -0.636
548 HB1 ALA 67 3HB ALA 67 -12.425 4.149 -1.477
549 HB2 ALA 67 1HB ALA 67 -13.539 2.792 -1.270
550 HB3 ALA 67 2HB ALA 67 -12.978 3.233 -2.884
551 H LEU 68 H LEU 68 -11.173 1.384 -4.061
552 HA LEU 68 HA LEU 68 -12.659 -1.052 -3.859
553 HG LEU 68 HG LEU 68 -12.727 1.306 -5.904
554 HB2 LEU 68 2HB LEU 68 -10.718 -0.097 -5.968
555 HB3 LEU 68 1HB LEU 68 -11.717 -1.530 -6.107
556 HD11 LEU 68 1HD1 LEU 68 -12.685 -0.609 -8.229
557 HD12 LEU 68 2HD1 LEU 68 -11.677 0.825 -8.052
558 HD13 LEU 68 3HD1 LEU 68 -13.425 0.990 -8.219
559 HD21 LEU 68 3HD2 LEU 68 -14.923 0.345 -6.351
560 HD22 LEU 68 1HD2 LEU 68 -14.243 -0.295 -4.853
561 HD23 LEU 68 2HD2 LEU 68 -14.227 -1.274 -6.320
562 H TRP 69 H TRP 69 -9.248 -0.145 -3.737
563 HA TRP 69 HA TRP 69 -8.118 -2.701 -3.717
564 HD1 TRP 69 HD1 TRP 69 -8.104 -0.801 -5.598
565 HE1 TRP 69 HE1 TRP 69 -6.399 -0.131 -7.400
566 HE3 TRP 69 HE3 TRP 69 -3.925 -0.520 -2.685
567 HZ2 TRP 69 HZ2 TRP 69 -3.642 0.436 -7.564
568 HZ3 TRP 69 HZ3 TRP 69 -1.795 0.093 -3.738
569 HH2 TRP 69 HH2 TRP 69 -1.655 0.559 -6.129
570 HB2 TRP 69 2HB TRP 69 -7.218 -0.131 -2.420
571 HB3 TRP 69 1HB TRP 69 -6.256 -1.602 -2.371
572 H ARG 70 H ARG 70 -9.045 -0.680 -0.921
573 HA ARG 70 HA ARG 70 -8.412 -2.637 1.000
574 HE ARG 70 HE ARG 70 -11.917 0.375 3.241
575 HB2 ARG 70 2HB ARG 70 -9.904 -1.278 2.522
576 HB3 ARG 70 1HB ARG 70 -8.586 -0.403 1.755
577 HG2 ARG 70 2HG ARG 70 -10.214 0.406 0.054
578 HG3 ARG 70 1HG ARG 70 -11.497 -0.345 1.005
579 HD2 ARG 70 2HD ARG 70 -9.583 1.707 2.097
580 HD3 ARG 70 1HD ARG 70 -11.159 2.104 1.416
581 HH11 ARG 70 1HH1 ARG 70 -9.485 2.883 3.512
582 HH12 ARG 70 2HH1 ARG 70 -9.758 3.156 5.205
583 HH21 ARG 70 1HH2 ARG 70 -12.278 0.719 5.474
584 HH22 ARG 70 2HH2 ARG 70 -11.308 1.874 6.339
585 H SER 71 H SER 71 -11.322 -2.109 -0.888
586 HA SER 71 HA SER 71 -12.920 -3.908 0.662
587 HG SER 71 HG SER 71 -13.456 -1.108 -0.769
588 HB2 SER 71 2HB SER 71 -13.353 -2.810 -2.122
589 HB3 SER 71 1HB SER 71 -14.560 -3.674 -1.169
590 H ALA 72 H ALA 72 -10.756 -4.236 -2.052
591 HA ALA 72 HA ALA 72 -11.761 -6.895 -2.685
592 HB1 ALA 72 3HB ALA 72 -11.184 -5.326 -4.501
593 HB2 ALA 72 1HB ALA 72 -10.282 -6.839 -4.584
594 HB3 ALA 72 2HB ALA 72 -9.502 -5.378 -3.976
595 H VAL 73 H VAL 73 -9.159 -5.426 -0.931
596 HA VAL 73 HA VAL 73 -7.769 -8.008 -0.784
597 HB VAL 73 HB VAL 73 -6.792 -5.289 0.109
598 HG11 VAL 73 1HG1 VAL 73 -5.827 -7.118 1.415
599 HG12 VAL 73 2HG1 VAL 73 -4.619 -6.367 0.371
600 HG13 VAL 73 3HG1 VAL 73 -5.323 -7.921 -0.073
601 HG21 VAL 73 3HG2 VAL 73 -6.965 -5.428 -2.317
602 HG22 VAL 73 1HG2 VAL 73 -6.034 -6.925 -2.312
603 HG23 VAL 73 2HG2 VAL 73 -5.275 -5.413 -1.810
604 H ALA 74 H ALA 74 -8.527 -5.320 1.440
605 HA ALA 74 HA ALA 74 -8.086 -6.947 3.739
606 HB1 ALA 74 3HB ALA 74 -7.707 -4.523 3.757
607 HB2 ALA 74 1HB ALA 74 -8.837 -5.019 5.018
608 HB3 ALA 74 2HB ALA 74 -9.437 -4.255 3.545
609 H ALA 75 H ALA 75 -10.956 -5.734 2.085
610 HA ALA 75 HA ALA 75 -12.704 -7.126 3.960
611 HB1 ALA 75 3HB ALA 75 -13.277 -4.847 3.259
612 HB2 ALA 75 1HB ALA 75 -14.525 -6.006 2.798
613 HB3 ALA 75 2HB ALA 75 -13.399 -5.397 1.586
614 H HIS 76 H HIS 76 -10.935 -8.600 2.110
615 HA HIS 76 HA HIS 76 -12.732 -9.707 0.117
616 HD1 HIS 76 HD1 HIS 76 -8.837 -11.563 -1.597
617 HD2 HIS 76 HD2 HIS 76 -12.964 -11.003 -1.644
618 HE1 HIS 76 HE1 HIS 76 -9.669 -12.760 -3.650
619 HE2 HIS 76 HE2 HIS 76 -12.179 -12.536 -3.573
620 HB2 HIS 76 2HB HIS 76 -10.201 -9.276 -0.183
621 HB3 HIS 76 1HB HIS 76 -9.982 -10.764 0.733
622 H GLY 77 H GLY 77 -12.922 -10.059 3.179
623 HA2 GLY 77 2HA GLY 77 -12.882 -12.918 3.510
624 HA3 GLY 77 1HA GLY 77 -13.618 -11.748 4.602
625 H GLU 78 H GLU 78 -14.044 -12.998 1.325
626 HA GLU 78 HA GLU 78 -16.714 -12.093 1.089
627 HB2 GLU 78 2HB GLU 78 -16.668 -13.340 -1.054
628 HB3 GLU 78 1HB GLU 78 -15.288 -12.270 -0.845
629 HG2 GLU 78 2HG GLU 78 -13.881 -14.138 -0.252
630 HG3 GLU 78 1HG GLU 78 -15.262 -15.231 -0.320
631 H LYS 79 H LYS 79 -15.809 -14.429 3.065
632 HA LYS 79 HA LYS 79 -17.821 -16.378 2.247
633 HB2 LYS 79 2HB LYS 79 -15.728 -16.518 4.423
634 HB3 LYS 79 1HB LYS 79 -16.847 -17.811 4.013
635 HG2 LYS 79 2HG LYS 79 -14.713 -16.654 2.226
636 HG3 LYS 79 1HG LYS 79 -14.700 -18.240 3.004
637 HD2 LYS 79 2HD LYS 79 -16.487 -19.016 1.671
638 HD3 LYS 79 1HD LYS 79 -16.870 -17.392 1.105
639 HE2 LYS 79 2HE LYS 79 -14.698 -17.326 -0.063
640 HE3 LYS 79 1HE LYS 79 -14.402 -18.988 0.445
641 HZ1 LYS 79 3HZ LYS 79 -15.382 -18.566 -1.869
642 HZ2 LYS 79 1HZ LYS 79 -16.843 -18.291 -1.054
643 HZ3 LYS 79 2HZ LYS 79 -16.067 -19.793 -0.923
644 H ALA 80 H ALA 80 -17.190 -13.983 4.714
645 HA ALA 80 HA ALA 80 -19.934 -14.057 5.532
646 HB1 ALA 80 3HB ALA 80 -19.586 -14.589 7.878
647 HB2 ALA 80 1HB ALA 80 -17.869 -14.866 7.578
648 HB3 ALA 80 2HB ALA 80 -19.076 -15.934 6.857
649 H LEU 81 H LEU 81 -19.895 -11.888 4.933
650 HA LEU 81 HA LEU 81 -18.111 -10.116 6.420
651 HG LEU 81 HG LEU 81 -17.144 -9.931 4.123
652 HB2 LEU 81 2HB LEU 81 -20.096 -9.455 4.241
653 HB3 LEU 81 1HB LEU 81 -19.011 -8.314 5.006
654 HD11 LEU 81 1HD1 LEU 81 -18.592 -11.684 3.309
655 HD12 LEU 81 2HD1 LEU 81 -17.757 -10.926 1.952
656 HD13 LEU 81 3HD1 LEU 81 -19.448 -10.540 2.276
657 HD21 LEU 81 3HD2 LEU 81 -17.400 -7.609 3.463
658 HD22 LEU 81 1HD2 LEU 81 -18.682 -8.052 2.337
659 HD23 LEU 81 2HD2 LEU 81 -17.035 -8.612 2.060
660 H LYS 82 H LYS 82 -19.415 -11.010 8.313
661 HA LYS 82 HA LYS 82 -21.983 -9.814 8.803
662 HB2 LYS 82 2HB LYS 82 -21.092 -11.982 9.808
663 HB3 LYS 82 1HB LYS 82 -20.062 -10.988 10.823
664 HG2 LYS 82 2HG LYS 82 -21.965 -11.615 12.095
665 HG3 LYS 82 1HG LYS 82 -22.113 -9.898 11.715
666 HD2 LYS 82 2HD LYS 82 -23.693 -10.354 9.973
667 HD3 LYS 82 1HD LYS 82 -23.445 -12.094 10.138
668 HE2 LYS 82 2HE LYS 82 -24.572 -10.294 12.281
669 HE3 LYS 82 1HE LYS 82 -25.536 -11.299 11.201
670 HZ1 LYS 82 3HZ LYS 82 -24.368 -13.256 12.102
671 HZ2 LYS 82 1HZ LYS 82 -25.240 -12.414 13.288
672 HZ3 LYS 82 2HZ LYS 82 -23.554 -12.254 13.202
673 H VAL 83 H VAL 83 -22.398 -8.109 10.323
674 HA VAL 83 HA VAL 83 -21.004 -5.804 9.983
675 HB VAL 83 HB VAL 83 -23.218 -5.842 10.965
676 HG11 VAL 83 1HG1 VAL 83 -23.037 -7.755 12.432
677 HG12 VAL 83 2HG1 VAL 83 -23.550 -6.343 13.357
678 HG13 VAL 83 3HG1 VAL 83 -21.880 -6.901 13.452
679 HG21 VAL 83 3HG2 VAL 83 -21.909 -3.831 11.258
680 HG22 VAL 83 1HG2 VAL 83 -21.190 -4.481 12.733
681 HG23 VAL 83 2HG2 VAL 83 -22.913 -4.103 12.683
682 H THR 84 H THR 84 -20.429 -8.164 12.527
683 HA THR 84 HA THR 84 -18.461 -6.628 13.902
684 HB THR 84 HB THR 84 -18.834 -9.608 14.000
685 HG1 THR 84 HG1 THR 84 -20.173 -8.311 15.948
686 HG21 THR 84 3HG2 THR 84 -17.933 -7.612 16.086
687 HG22 THR 84 1HG2 THR 84 -16.887 -8.732 15.214
688 HG23 THR 84 2HG2 THR 84 -18.102 -9.350 16.333
689 H MET 85 H MET 85 -18.378 -9.255 11.555
690 HA MET 85 HA MET 85 -15.649 -9.885 11.785
691 HB2 MET 85 2HB MET 85 -17.739 -10.432 9.702
692 HB3 MET 85 1HB MET 85 -16.069 -10.904 9.434
693 HG2 MET 85 2HG MET 85 -17.346 -12.760 10.288
694 HG3 MET 85 1HG MET 85 -16.131 -12.263 11.462
695 HE1 MET 85 3HE MET 85 -19.102 -13.553 13.681
696 HE2 MET 85 1HE MET 85 -17.387 -13.725 13.306
697 HE3 MET 85 2HE MET 85 -18.601 -14.186 12.114
698 H ILE 86 H ILE 86 -17.342 -7.524 9.836
699 HA ILE 86 HA ILE 86 -15.386 -7.005 7.906
700 HB ILE 86 HB ILE 86 -17.308 -5.017 9.130
701 HG12 ILE 86 2HG1 ILE 86 -17.927 -6.136 6.503
702 HG13 ILE 86 1HG1 ILE 86 -17.913 -7.345 7.785
703 HG21 ILE 86 1HG2 ILE 86 -15.550 -3.920 7.866
704 HG22 ILE 86 2HG2 ILE 86 -17.078 -3.828 6.992
705 HG23 ILE 86 3HG2 ILE 86 -15.845 -4.984 6.493
706 HD11 ILE 86 3HD1 ILE 86 -19.516 -6.081 9.047
707 HD12 ILE 86 1HD1 ILE 86 -20.131 -6.380 7.420
708 HD13 ILE 86 2HD1 ILE 86 -19.492 -4.788 7.841
709 H GLN 87 H GLN 87 -15.752 -5.806 11.193
710 HA GLN 87 HA GLN 87 -13.830 -3.807 11.239
711 HB2 GLN 87 2HB GLN 87 -15.207 -4.073 13.143
712 HB3 GLN 87 1HB GLN 87 -14.768 -5.764 13.325
713 HG2 GLN 87 2HG GLN 87 -12.465 -5.037 13.912
714 HG3 GLN 87 1HG GLN 87 -13.033 -3.368 13.873
715 HE21 GLN 87 1HE2 GLN 87 -12.477 -3.134 16.058
716 HE22 GLN 87 2HE2 GLN 87 -13.472 -3.800 17.314
717 H LYS 88 H LYS 88 -13.465 -7.296 11.558
718 HA LYS 88 HA LYS 88 -10.610 -7.024 12.038
719 HB2 LYS 88 2HB LYS 88 -12.440 -9.423 12.013
720 HB3 LYS 88 1HB LYS 88 -10.701 -9.531 12.264
721 HG2 LYS 88 2HG LYS 88 -12.598 -7.948 13.989
722 HG3 LYS 88 1HG LYS 88 -11.973 -9.554 14.372
723 HD2 LYS 88 2HD LYS 88 -9.777 -8.759 14.616
724 HD3 LYS 88 1HD LYS 88 -10.142 -7.245 13.791
725 HE2 LYS 88 2HE LYS 88 -9.879 -6.957 16.219
726 HE3 LYS 88 1HE LYS 88 -11.490 -6.512 15.660
727 HZ1 LYS 88 3HZ LYS 88 -12.390 -8.500 16.530
728 HZ2 LYS 88 1HZ LYS 88 -11.407 -7.847 17.750
729 HZ3 LYS 88 2HZ LYS 88 -10.856 -9.166 16.828
730 H TYR 89 H TYR 89 -12.554 -7.088 9.391
731 HA TYR 89 HA TYR 89 -10.505 -8.264 7.683
732 HD1 TYR 89 HD2 TYR 89 -11.008 -10.056 7.113
733 HD2 TYR 89 HD1 TYR 89 -14.981 -8.586 6.704
734 HE1 TYR 89 HE2 TYR 89 -11.863 -12.359 7.216
735 HE2 TYR 89 HE1 TYR 89 -15.851 -10.884 6.808
736 HH TYR 89 HH TYR 89 -14.011 -13.502 7.837
737 HB2 TYR 89 2HB TYR 89 -13.216 -7.074 7.080
738 HB3 TYR 89 1HB TYR 89 -12.082 -7.555 5.821
739 H ARG 90 H ARG 90 -11.977 -5.164 8.487
740 HA ARG 90 HA ARG 90 -10.478 -3.472 6.846
741 HE ARG 90 HE ARG 90 -15.363 -2.378 8.209
742 HB2 ARG 90 2HB ARG 90 -11.373 -2.963 9.695
743 HB3 ARG 90 1HB ARG 90 -10.880 -1.733 8.542
744 HG2 ARG 90 2HG ARG 90 -12.787 -2.208 7.151
745 HG3 ARG 90 1HG ARG 90 -13.248 -3.557 8.193
746 HD2 ARG 90 2HD ARG 90 -13.507 -1.962 10.068
747 HD3 ARG 90 1HD ARG 90 -13.168 -0.641 8.950
748 HH11 ARG 90 1HH1 ARG 90 -14.345 0.556 9.804
749 HH12 ARG 90 2HH1 ARG 90 -15.901 1.313 9.686
750 HH21 ARG 90 1HH2 ARG 90 -17.436 -1.390 8.066
751 HH22 ARG 90 2HH2 ARG 90 -17.659 0.200 8.725
752 H GLN 91 H GLN 91 -9.809 -4.702 10.087
753 HA GLN 91 HA GLN 91 -6.951 -4.178 9.654
754 HB2 GLN 91 2HB GLN 91 -8.599 -4.567 12.140
755 HB3 GLN 91 1HB GLN 91 -6.865 -4.852 12.167
756 HG2 GLN 91 2HG GLN 91 -7.994 -2.277 11.148
757 HG3 GLN 91 1HG GLN 91 -7.750 -2.554 12.872
758 HE21 GLN 91 1HE2 GLN 91 -6.257 -0.853 12.901
759 HE22 GLN 91 2HE2 GLN 91 -4.645 -1.063 12.306
760 H LEU 92 H LEU 92 -7.523 -6.018 8.067
761 HA LEU 92 HA LEU 92 -8.034 -8.609 8.883
762 HG LEU 92 HG LEU 92 -5.067 -8.647 6.573
763 HB2 LEU 92 2HB LEU 92 -7.379 -9.316 6.760
764 HB3 LEU 92 1HB LEU 92 -7.922 -7.674 6.509
765 HD11 LEU 92 1HD1 LEU 92 -6.281 -9.160 4.525
766 HD12 LEU 92 2HD1 LEU 92 -5.035 -7.944 4.245
767 HD13 LEU 92 3HD1 LEU 92 -6.727 -7.462 4.358
768 HD21 LEU 92 3HD2 LEU 92 -4.469 -6.319 5.955
769 HD22 LEU 92 1HD2 LEU 92 -5.090 -6.485 7.602
770 HD23 LEU 92 2HD2 LEU 92 -6.127 -5.835 6.323
771 H HIS 93 H HIS 93 -6.899 -10.133 9.920
772 HA HIS 93 HA HIS 93 -4.038 -9.665 10.167
773 HD1 HIS 93 HD1 HIS 93 -5.164 -11.286 14.426
774 HD2 HIS 93 HD2 HIS 93 -7.964 -9.699 11.792
775 HE1 HIS 93 HE1 HIS 93 -7.414 -11.966 15.330
776 HE2 HIS 93 HE2 HIS 93 -9.069 -11.189 13.594
777 HB2 HIS 93 2HB HIS 93 -4.085 -10.107 12.585
778 HB3 HIS 93 1HB HIS 93 -5.018 -8.682 12.151
779 H HIS 94 H HIS 94 -3.375 -11.291 9.000
780 HA HIS 94 HA HIS 94 -3.380 -13.905 10.168
781 HD1 HIS 94 HD1 HIS 94 -6.428 -16.134 8.460
782 HD2 HIS 94 HD2 HIS 94 -2.284 -16.052 8.103
783 HE1 HIS 94 HE1 HIS 94 -5.708 -18.538 8.372
784 HE2 HIS 94 HE2 HIS 94 -3.190 -18.462 8.369
785 HB2 HIS 94 2HB HIS 94 -5.504 -13.833 8.740
786 HB3 HIS 94 1HB HIS 94 -4.442 -13.695 7.341
787 H HIS 95 H HIS 95 -2.870 -12.271 7.059
788 HA HIS 95 HA HIS 95 0.009 -12.636 7.425
789 HD1 HIS 95 HD1 HIS 95 1.734 -14.687 5.803
790 HD2 HIS 95 HD2 HIS 95 0.544 -11.531 3.364
791 HE1 HIS 95 HE1 HIS 95 3.750 -14.097 4.416
792 HE2 HIS 95 HE2 HIS 95 3.072 -12.054 3.112
793 HB2 HIS 95 2HB HIS 95 -0.814 -14.296 5.748
794 HB3 HIS 95 1HB HIS 95 -1.417 -12.963 4.771
Start of MODEL 20
1 HA MET 1 HA MET 1 13.557 18.602 5.265
2 H1 MET 1 1H MET 1 12.667 19.731 7.229
3 H2 MET 1 2H MET 1 14.357 19.642 7.228
4 H3 MET 1 3H MET 1 13.455 18.605 8.221
5 HB2 MET 1 2HB MET 1 14.541 16.688 7.381
6 HB3 MET 1 1HB MET 1 14.334 16.214 5.701
7 HG2 MET 1 2HG MET 1 16.625 16.752 6.067
8 HG3 MET 1 1HG MET 1 15.913 18.001 5.050
9 HE1 MET 1 3HE MET 1 18.568 19.989 7.120
10 HE2 MET 1 1HE MET 1 17.974 19.594 5.508
11 HE3 MET 1 2HE MET 1 18.710 18.341 6.508
12 H TYR 2 H TYR 2 12.225 16.934 8.135
13 HA TYR 2 HA TYR 2 10.215 15.643 6.541
14 HD1 TYR 2 HD2 TYR 2 10.193 13.118 7.047
15 HD2 TYR 2 HD1 TYR 2 12.598 14.924 10.056
16 HE1 TYR 2 HE2 TYR 2 11.791 11.256 6.880
17 HE2 TYR 2 HE1 TYR 2 14.207 13.071 9.891
18 HH TYR 2 HH TYR 2 14.316 10.954 7.358
19 HB2 TYR 2 2HB TYR 2 10.521 15.866 9.545
20 HB3 TYR 2 1HB TYR 2 9.303 14.883 8.735
21 H LEU 3 H LEU 3 8.471 16.549 5.819
22 HA LEU 3 HA LEU 3 6.891 18.425 7.291
23 HG LEU 3 HG LEU 3 6.760 20.912 7.003
24 HB2 LEU 3 2HB LEU 3 8.904 19.734 6.367
25 HB3 LEU 3 1HB LEU 3 8.209 19.463 4.783
26 HD11 LEU 3 1HD1 LEU 3 8.784 22.125 6.440
27 HD12 LEU 3 2HD1 LEU 3 7.368 22.966 5.807
28 HD13 LEU 3 3HD1 LEU 3 8.392 22.020 4.725
29 HD21 LEU 3 3HD2 LEU 3 5.369 21.756 5.180
30 HD22 LEU 3 1HD2 LEU 3 5.308 19.995 5.262
31 HD23 LEU 3 2HD2 LEU 3 6.286 20.786 4.026
32 H LYS 4 H LYS 4 7.714 17.669 3.921
33 HA LYS 4 HA LYS 4 4.902 17.251 3.274
34 HB2 LYS 4 2HB LYS 4 7.383 17.176 1.539
35 HB3 LYS 4 1HB LYS 4 5.732 17.035 0.950
36 HG2 LYS 4 2HG LYS 4 5.233 19.275 1.643
37 HG3 LYS 4 1HG LYS 4 6.813 19.431 2.418
38 HD2 LYS 4 2HD LYS 4 7.906 19.195 0.245
39 HD3 LYS 4 1HD LYS 4 6.332 19.012 -0.533
40 HE2 LYS 4 2HE LYS 4 5.706 21.255 0.128
41 HE3 LYS 4 1HE LYS 4 7.212 21.435 1.027
42 HZ1 LYS 4 3HZ LYS 4 7.057 20.993 -1.903
43 HZ2 LYS 4 1HZ LYS 4 8.451 21.327 -0.994
44 HZ3 LYS 4 2HZ LYS 4 7.247 22.515 -1.168
45 H ARG 5 H ARG 5 6.508 15.488 5.016
46 HA ARG 5 HA ARG 5 5.668 12.956 4.027
47 HE ARG 5 HE ARG 5 8.248 12.065 1.156
48 HB2 ARG 5 2HB ARG 5 7.841 13.416 2.770
49 HB3 ARG 5 1HB ARG 5 8.652 13.339 4.326
50 HG2 ARG 5 2HG ARG 5 8.006 11.044 4.610
51 HG3 ARG 5 1HG ARG 5 7.027 11.100 3.142
52 HD2 ARG 5 2HD ARG 5 10.025 11.417 3.322
53 HD3 ARG 5 1HD ARG 5 9.158 10.018 2.690
54 HH11 ARG 5 1HH1 ARG 5 11.461 10.904 1.961
55 HH12 ARG 5 2HH1 ARG 5 12.153 11.422 0.449
56 HH21 ARG 5 1HH2 ARG 5 9.174 12.754 -0.820
57 HH22 ARG 5 2HH2 ARG 5 10.865 12.490 -1.116
58 H VAL 6 H VAL 6 4.835 12.229 5.867
59 HA VAL 6 HA VAL 6 5.534 13.264 8.396
60 HB VAL 6 HB VAL 6 3.278 12.482 7.947
61 HG11 VAL 6 1HG1 VAL 6 4.463 9.718 7.788
62 HG12 VAL 6 2HG1 VAL 6 3.784 10.639 6.446
63 HG13 VAL 6 3HG1 VAL 6 2.742 10.107 7.767
64 HG21 VAL 6 3HG2 VAL 6 4.635 10.873 10.106
65 HG22 VAL 6 1HG2 VAL 6 2.896 11.139 9.976
66 HG23 VAL 6 2HG2 VAL 6 3.978 12.502 10.266
67 H ASP 7 H ASP 7 6.853 12.566 9.977
68 HA ASP 7 HA ASP 7 8.680 10.398 9.392
69 HB2 ASP 7 2HB ASP 7 9.412 12.523 10.524
70 HB3 ASP 7 1HB ASP 7 8.475 12.036 11.933
71 H GLY 8 H GLY 8 7.126 8.716 9.316
72 HA2 GLY 8 2HA GLY 8 6.084 7.899 11.949
73 HA3 GLY 8 1HA GLY 8 5.427 7.380 10.401
74 HA PRO 9 HA PRO 9 8.175 3.985 11.830
75 HB2 PRO 9 2HB PRO 9 6.632 1.990 10.798
76 HB3 PRO 9 1HB PRO 9 6.388 2.669 12.413
77 HG2 PRO 9 2HG PRO 9 4.931 3.248 9.868
78 HG3 PRO 9 1HG PRO 9 4.289 3.057 11.510
79 HD2 PRO 9 2HD PRO 9 4.668 5.480 10.351
80 HD3 PRO 9 1HD PRO 9 4.816 5.221 12.101
81 H ARG 10 H ARG 10 9.736 3.059 10.625
82 HA ARG 10 HA ARG 10 9.735 3.567 7.765
83 HE ARG 10 HE ARG 10 12.971 6.779 8.842
84 HB2 ARG 10 2HB ARG 10 11.787 2.680 9.757
85 HB3 ARG 10 1HB ARG 10 12.055 2.347 8.053
86 HG2 ARG 10 2HG ARG 10 13.175 4.379 8.646
87 HG3 ARG 10 1HG ARG 10 11.830 4.757 7.575
88 HD2 ARG 10 2HD ARG 10 10.502 5.516 9.442
89 HD3 ARG 10 1HD ARG 10 11.750 5.010 10.582
90 HH11 ARG 10 1HH1 ARG 10 10.299 6.915 11.114
91 HH12 ARG 10 2HH1 ARG 10 10.555 8.591 11.503
92 HH21 ARG 10 1HH2 ARG 10 13.290 8.980 9.343
93 HH22 ARG 10 2HH2 ARG 10 12.212 9.774 10.461
94 H GLN 11 H GLN 11 9.075 1.045 9.963
95 HA GLN 11 HA GLN 11 8.454 -0.748 7.758
96 HB2 GLN 11 2HB GLN 11 9.594 -2.644 8.733
97 HB3 GLN 11 1HB GLN 11 10.759 -1.348 8.493
98 HG2 GLN 11 2HG GLN 11 10.696 -0.788 10.826
99 HG3 GLN 11 1HG GLN 11 9.404 -1.953 11.112
100 HE21 GLN 11 1HE2 GLN 11 10.542 -3.122 12.607
101 HE22 GLN 11 2HE2 GLN 11 11.910 -4.107 12.193
102 H VAL 12 H VAL 12 6.830 -2.224 8.233
103 HA VAL 12 HA VAL 12 5.795 -2.270 10.983
104 HB VAL 12 HB VAL 12 3.475 -2.451 10.073
105 HG11 VAL 12 1HG1 VAL 12 4.237 -0.374 11.038
106 HG12 VAL 12 2HG1 VAL 12 3.187 -0.047 9.661
107 HG13 VAL 12 3HG1 VAL 12 4.934 0.120 9.496
108 HG21 VAL 12 3HG2 VAL 12 4.765 -1.543 7.498
109 HG22 VAL 12 1HG2 VAL 12 3.028 -1.614 7.805
110 HG23 VAL 12 2HG2 VAL 12 3.983 -3.099 7.787
111 H THR 13 H THR 13 4.062 -4.169 11.061
112 HA THR 13 HA THR 13 5.422 -6.484 9.835
113 HB THR 13 HB THR 13 4.028 -6.470 12.521
114 HG1 THR 13 HG1 THR 13 6.317 -5.332 11.918
115 HG21 THR 13 3HG2 THR 13 5.963 -8.432 11.274
116 HG22 THR 13 1HG2 THR 13 4.220 -8.668 11.426
117 HG23 THR 13 2HG2 THR 13 5.228 -8.571 12.871
118 H LEU 14 H LEU 14 4.180 -8.114 9.009
119 HA LEU 14 HA LEU 14 1.332 -7.548 8.665
120 HG LEU 14 HG LEU 14 2.480 -8.514 5.244
121 HB2 LEU 14 2HB LEU 14 3.146 -9.605 7.391
122 HB3 LEU 14 1HB LEU 14 1.424 -9.517 7.099
123 HD11 LEU 14 1HD1 LEU 14 1.528 -6.315 7.056
124 HD12 LEU 14 2HD1 LEU 14 0.519 -7.328 6.021
125 HD13 LEU 14 3HD1 LEU 14 1.688 -6.221 5.303
126 HD21 LEU 14 3HD2 LEU 14 4.670 -8.145 6.281
127 HD22 LEU 14 1HD2 LEU 14 4.009 -6.752 7.138
128 HD23 LEU 14 2HD2 LEU 14 4.101 -6.743 5.376
129 HA PRO 15 HA PRO 15 0.066 -10.684 11.616
130 HB2 PRO 15 2HB PRO 15 -2.159 -11.209 9.743
131 HB3 PRO 15 1HB PRO 15 -2.214 -10.704 11.435
132 HG2 PRO 15 2HG PRO 15 -2.835 -9.017 9.445
133 HG3 PRO 15 1HG PRO 15 -2.015 -8.466 10.916
134 HD2 PRO 15 2HD PRO 15 -0.887 -8.971 8.193
135 HD3 PRO 15 1HD PRO 15 -0.489 -7.700 9.367
136 H ASP 16 H ASP 16 0.856 -11.083 8.378
137 HA ASP 16 HA ASP 16 0.557 -13.930 8.172
138 HB2 ASP 16 2HB ASP 16 0.446 -12.423 6.213
139 HB3 ASP 16 1HB ASP 16 2.122 -11.964 6.482
140 H GLY 17 H GLY 17 2.810 -11.802 9.587
141 HA2 GLY 17 2HA GLY 17 4.622 -12.548 10.931
142 HA3 GLY 17 1HA GLY 17 4.715 -14.005 9.950
143 H THR 18 H THR 18 4.301 -11.431 7.941
144 HA THR 18 HA THR 18 7.134 -11.437 7.221
145 HB THR 18 HB THR 18 4.756 -10.432 5.629
146 HG1 THR 18 HG1 THR 18 4.365 -12.499 5.313
147 HG21 THR 18 3HG2 THR 18 7.570 -11.143 4.785
148 HG22 THR 18 1HG2 THR 18 6.878 -9.523 4.842
149 HG23 THR 18 2HG2 THR 18 6.256 -10.703 3.694
150 H VAL 19 H VAL 19 7.947 -9.276 6.307
151 HA VAL 19 HA VAL 19 7.095 -7.114 8.120
152 HB VAL 19 HB VAL 19 9.872 -7.612 7.011
153 HG11 VAL 19 1HG1 VAL 19 10.565 -5.800 8.521
154 HG12 VAL 19 2HG1 VAL 19 8.877 -5.530 8.959
155 HG13 VAL 19 3HG1 VAL 19 9.416 -5.235 7.306
156 HG21 VAL 19 3HG2 VAL 19 9.284 -9.243 8.720
157 HG22 VAL 19 1HG2 VAL 19 8.801 -7.947 9.812
158 HG23 VAL 19 2HG2 VAL 19 10.488 -8.110 9.333
159 H LEU 20 H LEU 20 6.610 -5.182 7.262
160 HA LEU 20 HA LEU 20 7.073 -4.826 4.369
161 HG LEU 20 HG LEU 20 5.110 -2.226 4.408
162 HB2 LEU 20 2HB LEU 20 4.732 -5.197 4.767
163 HB3 LEU 20 1HB LEU 20 4.708 -4.017 6.057
164 HD11 LEU 20 1HD1 LEU 20 4.838 -4.429 2.372
165 HD12 LEU 20 2HD1 LEU 20 6.302 -3.508 2.717
166 HD13 LEU 20 3HD1 LEU 20 4.894 -2.701 2.027
167 HD21 LEU 20 3HD2 LEU 20 2.843 -2.775 5.066
168 HD22 LEU 20 1HD2 LEU 20 2.761 -4.018 3.816
169 HD23 LEU 20 2HD2 LEU 20 2.895 -2.318 3.364
170 H SER 21 H SER 21 8.738 -3.454 4.258
171 HA SER 21 HA SER 21 8.795 -1.153 6.062
172 HG SER 21 HG SER 21 11.943 -2.831 4.118
173 HB2 SER 21 2HB SER 21 11.140 -0.894 5.264
174 HB3 SER 21 1HB SER 21 10.844 -2.463 6.004
175 H ARG 22 H ARG 22 9.676 0.906 4.963
176 HA ARG 22 HA ARG 22 7.791 1.605 2.942
177 HE ARG 22 HE ARG 22 6.671 5.167 6.638
178 HB2 ARG 22 2HB ARG 22 10.054 3.085 4.257
179 HB3 ARG 22 1HB ARG 22 9.104 3.806 2.961
180 HG2 ARG 22 2HG ARG 22 7.066 3.442 4.294
181 HG3 ARG 22 1HG ARG 22 8.065 2.817 5.607
182 HD2 ARG 22 2HD ARG 22 8.976 4.889 6.073
183 HD3 ARG 22 1HD ARG 22 8.624 5.521 4.462
184 HH11 ARG 22 1HH1 ARG 22 7.650 6.596 3.603
185 HH12 ARG 22 2HH1 ARG 22 6.199 7.544 3.419
186 HH21 ARG 22 1HH2 ARG 22 4.762 6.438 6.421
187 HH22 ARG 22 2HH2 ARG 22 4.570 7.468 5.028
188 H ALA 23 H ALA 23 11.061 0.510 2.901
189 HA ALA 23 HA ALA 23 11.448 1.234 0.118
190 HB1 ALA 23 3HB ALA 23 13.134 -0.517 1.899
191 HB2 ALA 23 1HB ALA 23 13.347 1.217 1.678
192 HB3 ALA 23 2HB ALA 23 13.589 0.120 0.318
193 H ASP 24 H ASP 24 9.962 -1.271 1.852
194 HA ASP 24 HA ASP 24 10.394 -3.339 -0.124
195 HB2 ASP 24 2HB ASP 24 10.118 -3.878 2.282
196 HB3 ASP 24 1HB ASP 24 8.466 -3.276 2.205
197 H LEU 25 H LEU 25 8.148 -0.816 0.489
198 HA LEU 25 HA LEU 25 5.819 -1.586 -0.741
199 HG LEU 25 HG LEU 25 6.144 0.278 1.421
200 HB2 LEU 25 2HB LEU 25 7.255 1.054 -0.696
201 HB3 LEU 25 1HB LEU 25 5.714 0.870 -1.511
202 HD11 LEU 25 1HD1 LEU 25 4.976 2.394 1.821
203 HD12 LEU 25 2HD1 LEU 25 4.989 2.726 0.089
204 HD13 LEU 25 3HD1 LEU 25 6.507 2.645 0.984
205 HD21 LEU 25 3HD2 LEU 25 3.641 0.589 -0.237
206 HD22 LEU 25 1HD2 LEU 25 3.699 0.321 1.506
207 HD23 LEU 25 2HD2 LEU 25 4.278 -0.927 0.404
208 HA PRO 26 HA PRO 26 6.621 -2.498 -4.978
209 HB2 PRO 26 2HB PRO 26 4.319 -1.414 -6.080
210 HB3 PRO 26 1HB PRO 26 4.431 -3.020 -5.356
211 HG2 PRO 26 2HG PRO 26 3.424 -0.471 -4.174
212 HG3 PRO 26 1HG PRO 26 2.798 -2.121 -3.998
213 HD2 PRO 26 2HD PRO 26 4.239 -0.959 -2.061
214 HD3 PRO 26 1HD PRO 26 4.397 -2.692 -2.419
215 HA PRO 27 HA PRO 27 8.336 1.081 -6.909
216 HB2 PRO 27 2HB PRO 27 8.101 0.424 -9.539
217 HB3 PRO 27 1HB PRO 27 9.290 -0.309 -8.458
218 HG2 PRO 27 2HG PRO 27 6.623 -1.366 -9.330
219 HG3 PRO 27 1HG PRO 27 8.178 -2.213 -9.216
220 HD2 PRO 27 2HD PRO 27 6.286 -2.445 -7.317
221 HD3 PRO 27 1HD PRO 27 8.018 -2.450 -6.923
222 H LEU 28 H LEU 28 7.846 2.930 -8.195
223 HA LEU 28 HA LEU 28 5.011 3.568 -8.226
224 HG LEU 28 HG LEU 28 7.711 4.679 -6.760
225 HB2 LEU 28 2HB LEU 28 7.332 5.289 -9.113
226 HB3 LEU 28 1HB LEU 28 5.713 5.825 -8.712
227 HD11 LEU 28 1HD1 LEU 28 8.351 6.890 -7.538
228 HD12 LEU 28 2HD1 LEU 28 7.791 6.958 -5.867
229 HD13 LEU 28 3HD1 LEU 28 6.739 7.503 -7.173
230 HD21 LEU 28 3HD2 LEU 28 4.972 5.856 -6.312
231 HD22 LEU 28 1HD2 LEU 28 6.101 5.369 -5.050
232 HD23 LEU 28 2HD2 LEU 28 5.416 4.159 -6.135
233 H ASP 29 H ASP 29 7.081 2.067 -10.260
234 HA ASP 29 HA ASP 29 6.336 3.262 -12.766
235 HB2 ASP 29 2HB ASP 29 7.888 0.785 -12.031
236 HB3 ASP 29 1HB ASP 29 7.548 1.228 -13.700
237 H THR 30 H THR 30 5.009 0.907 -10.705
238 HA THR 30 HA THR 30 3.827 -0.737 -12.705
239 HB THR 30 HB THR 30 3.199 -0.463 -9.763
240 HG1 THR 30 HG1 THR 30 5.122 -1.784 -11.233
241 HG21 THR 30 3HG2 THR 30 2.084 -2.645 -10.011
242 HG22 THR 30 1HG2 THR 30 2.338 -2.565 -11.755
243 HG23 THR 30 2HG2 THR 30 1.290 -1.389 -10.962
244 H ARG 31 H ARG 31 2.257 -0.127 -14.000
245 HA ARG 31 HA ARG 31 0.084 1.521 -12.886
246 HE ARG 31 HE ARG 31 -0.691 4.132 -14.181
247 HB2 ARG 31 2HB ARG 31 0.738 1.025 -15.802
248 HB3 ARG 31 1HB ARG 31 -0.540 2.062 -15.193
249 HG2 ARG 31 2HG ARG 31 2.423 2.488 -15.079
250 HG3 ARG 31 1HG ARG 31 1.191 3.507 -15.824
251 HD2 ARG 31 2HD ARG 31 1.639 3.053 -12.877
252 HD3 ARG 31 1HD ARG 31 1.962 4.529 -13.779
253 HH11 ARG 31 1HH1 ARG 31 1.305 4.181 -11.314
254 HH12 ARG 31 2HH1 ARG 31 0.072 4.860 -10.294
255 HH21 ARG 31 1HH2 ARG 31 -2.338 5.006 -12.850
256 HH22 ARG 31 2HH2 ARG 31 -2.014 5.326 -11.176
257 H ARG 32 H ARG 32 0.820 -1.323 -14.878
258 HA ARG 32 HA ARG 32 -1.879 -2.318 -14.606
259 HE ARG 32 HE ARG 32 -2.717 -6.591 -16.801
260 HB2 ARG 32 2HB ARG 32 -0.391 -2.865 -16.578
261 HB3 ARG 32 1HB ARG 32 0.555 -3.877 -15.491
262 HG2 ARG 32 2HG ARG 32 -1.395 -5.257 -15.045
263 HG3 ARG 32 1HG ARG 32 -2.370 -4.234 -16.100
264 HD2 ARG 32 2HD ARG 32 -0.952 -4.845 -17.996
265 HD3 ARG 32 1HD ARG 32 0.022 -5.866 -16.940
266 HH11 ARG 32 1HH1 ARG 32 0.100 -6.856 -18.861
267 HH12 ARG 32 2HH1 ARG 32 -0.435 -8.328 -19.618
268 HH21 ARG 32 1HH2 ARG 32 -3.418 -8.508 -17.759
269 HH22 ARG 32 2HH2 ARG 32 -2.444 -9.286 -18.972
270 H TRP 33 H TRP 33 -1.990 -2.122 -12.338
271 HA TRP 33 HA TRP 33 -0.237 -3.392 -10.539
272 HD1 TRP 33 HD1 TRP 33 -2.224 -0.029 -11.145
273 HE1 TRP 33 HE1 TRP 33 -0.857 1.810 -9.985
274 HE3 TRP 33 HE3 TRP 33 -0.337 -2.760 -7.272
275 HZ2 TRP 33 HZ2 TRP 33 0.805 2.070 -7.715
276 HZ3 TRP 33 HZ3 TRP 33 1.131 -1.646 -5.646
277 HH2 TRP 33 HH2 TRP 33 1.693 0.719 -5.865
278 HB2 TRP 33 2HB TRP 33 -3.072 -2.425 -10.266
279 HB3 TRP 33 1HB TRP 33 -2.193 -3.145 -8.923
280 H VAL 34 H VAL 34 -0.412 -5.219 -9.313
281 HA VAL 34 HA VAL 34 -2.452 -7.186 -10.101
282 HB VAL 34 HB VAL 34 -0.853 -8.989 -9.567
283 HG11 VAL 34 1HG1 VAL 34 -1.092 -8.273 -11.885
284 HG12 VAL 34 2HG1 VAL 34 0.569 -8.759 -11.554
285 HG13 VAL 34 3HG1 VAL 34 0.154 -7.048 -11.650
286 HG21 VAL 34 3HG2 VAL 34 1.171 -6.766 -9.316
287 HG22 VAL 34 1HG2 VAL 34 1.528 -8.493 -9.302
288 HG23 VAL 34 2HG2 VAL 34 0.574 -7.779 -8.001
289 H ALA 35 H ALA 35 -2.883 -8.785 -8.293
290 HA ALA 35 HA ALA 35 -3.892 -7.333 -6.145
291 HB1 ALA 35 3HB ALA 35 -4.523 -9.443 -5.174
292 HB2 ALA 35 1HB ALA 35 -3.362 -10.296 -6.193
293 HB3 ALA 35 2HB ALA 35 -4.761 -9.504 -6.921
294 H SER 36 H SER 36 -0.932 -9.272 -6.305
295 HA SER 36 HA SER 36 -0.307 -9.252 -3.582
296 HG SER 36 HG SER 36 -0.192 -11.127 -5.070
297 HB2 SER 36 2HB SER 36 1.683 -9.228 -5.855
298 HB3 SER 36 1HB SER 36 1.900 -9.925 -4.247
299 H ARG 37 H ARG 37 0.495 -6.918 -6.132
300 HA ARG 37 HA ARG 37 2.182 -5.344 -4.435
301 HE ARG 37 HE ARG 37 4.689 -6.455 -8.728
302 HB2 ARG 37 2HB ARG 37 0.907 -4.600 -7.074
303 HB3 ARG 37 1HB ARG 37 2.196 -3.716 -6.269
304 HG2 ARG 37 2HG ARG 37 3.640 -5.713 -6.478
305 HG3 ARG 37 1HG ARG 37 2.353 -6.503 -7.389
306 HD2 ARG 37 2HD ARG 37 2.449 -4.581 -8.999
307 HD3 ARG 37 1HD ARG 37 3.896 -4.034 -8.153
308 HH11 ARG 37 1HH1 ARG 37 2.856 -4.266 -10.741
309 HH12 ARG 37 2HH1 ARG 37 3.372 -4.976 -12.238
310 HH21 ARG 37 1HH2 ARG 37 5.378 -7.417 -10.704
311 HH22 ARG 37 2HH2 ARG 37 4.812 -6.765 -12.215
312 H LYS 38 H LYS 38 -1.176 -5.207 -5.467
313 HA LYS 38 HA LYS 38 -1.854 -2.724 -4.339
314 HB2 LYS 38 2HB LYS 38 -3.553 -5.196 -4.720
315 HB3 LYS 38 1HB LYS 38 -4.183 -3.625 -4.248
316 HG2 LYS 38 2HG LYS 38 -3.275 -2.703 -6.381
317 HG3 LYS 38 1HG LYS 38 -2.875 -4.358 -6.854
318 HD2 LYS 38 2HD LYS 38 -5.241 -4.981 -6.597
319 HD3 LYS 38 1HD LYS 38 -5.623 -3.315 -6.169
320 HE2 LYS 38 2HE LYS 38 -4.845 -2.571 -8.365
321 HE3 LYS 38 1HE LYS 38 -4.456 -4.235 -8.792
322 HZ1 LYS 38 3HZ LYS 38 -6.541 -3.777 -9.745
323 HZ2 LYS 38 1HZ LYS 38 -7.140 -3.061 -8.324
324 HZ3 LYS 38 2HZ LYS 38 -6.872 -4.734 -8.384
325 H ALA 39 H ALA 39 -1.904 -5.993 -3.014
326 HA ALA 39 HA ALA 39 -3.007 -5.462 -0.523
327 HB1 ALA 39 3HB ALA 39 -2.641 -7.722 -1.409
328 HB2 ALA 39 1HB ALA 39 -1.976 -7.536 0.213
329 HB3 ALA 39 2HB ALA 39 -0.902 -7.521 -1.185
330 H ALA 40 H ALA 40 0.377 -5.327 -1.566
331 HA ALA 40 HA ALA 40 1.555 -4.829 0.912
332 HB1 ALA 40 3HB ALA 40 3.438 -3.924 -0.349
333 HB2 ALA 40 1HB ALA 40 2.431 -3.827 -1.793
334 HB3 ALA 40 2HB ALA 40 2.825 -5.398 -1.098
335 H VAL 41 H VAL 41 0.304 -2.539 -1.497
336 HA VAL 41 HA VAL 41 1.078 -0.187 -0.156
337 HB VAL 41 HB VAL 41 -1.216 -0.569 -2.079
338 HG11 VAL 41 1HG1 VAL 41 -1.413 1.519 -0.857
339 HG12 VAL 41 2HG1 VAL 41 -0.949 1.831 -2.530
340 HG13 VAL 41 3HG1 VAL 41 0.258 1.923 -1.249
341 HG21 VAL 41 3HG2 VAL 41 1.650 0.209 -2.576
342 HG22 VAL 41 1HG2 VAL 41 0.365 0.210 -3.785
343 HG23 VAL 41 2HG2 VAL 41 0.879 -1.307 -3.045
344 H VAL 42 H VAL 42 -2.044 -1.896 -0.224
345 HA VAL 42 HA VAL 42 -3.339 0.007 1.434
346 HB VAL 42 HB VAL 42 -4.555 -1.485 -0.122
347 HG11 VAL 42 1HG1 VAL 42 -5.081 -3.781 0.554
348 HG12 VAL 42 2HG1 VAL 42 -3.947 -3.634 1.897
349 HG13 VAL 42 3HG1 VAL 42 -3.362 -3.554 0.235
350 HG21 VAL 42 3HG2 VAL 42 -6.456 -1.936 1.347
351 HG22 VAL 42 1HG2 VAL 42 -5.752 -0.347 1.654
352 HG23 VAL 42 2HG2 VAL 42 -5.424 -1.685 2.755
353 H LYS 43 H LYS 43 -1.660 -3.038 2.133
354 HA LYS 43 HA LYS 43 -2.448 -3.168 4.860
355 HB2 LYS 43 2HB LYS 43 -0.102 -4.387 3.398
356 HB3 LYS 43 1HB LYS 43 -0.454 -4.701 5.093
357 HG2 LYS 43 2HG LYS 43 -2.559 -5.712 4.523
358 HG3 LYS 43 1HG LYS 43 -2.351 -5.275 2.826
359 HD2 LYS 43 2HD LYS 43 -0.334 -6.700 2.741
360 HD3 LYS 43 1HD LYS 43 -0.629 -7.179 4.415
361 HE2 LYS 43 2HE LYS 43 -2.541 -7.628 2.122
362 HE3 LYS 43 1HE LYS 43 -1.434 -8.839 2.768
363 HZ1 LYS 43 3HZ LYS 43 -3.734 -9.003 3.633
364 HZ2 LYS 43 1HZ LYS 43 -3.533 -7.494 4.369
365 HZ3 LYS 43 2HZ LYS 43 -2.566 -8.798 4.851
366 H ALA 44 H ALA 44 0.116 -1.531 3.148
367 HA ALA 44 HA ALA 44 1.708 -0.811 5.350
368 HB1 ALA 44 3HB ALA 44 2.462 -0.554 3.040
369 HB2 ALA 44 1HB ALA 44 2.575 0.969 3.919
370 HB3 ALA 44 2HB ALA 44 1.255 0.705 2.780
371 H VAL 45 H VAL 45 -1.075 0.751 3.829
372 HA VAL 45 HA VAL 45 -1.084 3.020 5.545
373 HB VAL 45 HB VAL 45 -3.349 1.864 3.909
374 HG11 VAL 45 1HG1 VAL 45 -4.298 4.129 4.031
375 HG12 VAL 45 2HG1 VAL 45 -3.009 4.594 5.142
376 HG13 VAL 45 3HG1 VAL 45 -4.180 3.364 5.617
377 HG21 VAL 45 3HG2 VAL 45 -1.424 2.413 2.530
378 HG22 VAL 45 1HG2 VAL 45 -1.349 4.021 3.248
379 HG23 VAL 45 2HG2 VAL 45 -2.732 3.565 2.254
380 H ILE 46 H ILE 46 -2.803 -0.071 5.565
381 HA ILE 46 HA ILE 46 -4.537 0.536 7.702
382 HB ILE 46 HB ILE 46 -3.593 -2.112 6.611
383 HG12 ILE 46 2HG1 ILE 46 -6.193 -0.592 6.311
384 HG13 ILE 46 1HG1 ILE 46 -4.924 -0.693 5.095
385 HG21 ILE 46 1HG2 ILE 46 -5.452 -3.145 7.833
386 HG22 ILE 46 2HG2 ILE 46 -5.786 -1.601 8.615
387 HG23 ILE 46 3HG2 ILE 46 -4.264 -2.436 8.927
388 HD11 ILE 46 3HD1 ILE 46 -6.540 -3.006 6.141
389 HD12 ILE 46 1HD1 ILE 46 -5.299 -3.082 4.890
390 HD13 ILE 46 2HD1 ILE 46 -6.786 -2.178 4.601
391 H HIS 47 H HIS 47 -1.249 -0.741 7.632
392 HA HIS 47 HA HIS 47 -1.304 -1.259 10.491
393 HD1 HIS 47 HD1 HIS 47 -1.368 -3.434 10.807
394 HD2 HIS 47 HD2 HIS 47 0.983 -3.995 7.423
395 HE1 HIS 47 HE1 HIS 47 -1.767 -5.805 10.089
396 HE2 HIS 47 HE2 HIS 47 -0.164 -6.175 8.187
397 HB2 HIS 47 2HB HIS 47 0.892 -1.501 8.441
398 HB3 HIS 47 1HB HIS 47 1.146 -1.791 10.157
399 H GLY 48 H GLY 48 -0.924 1.439 8.597
400 HA2 GLY 48 2HA GLY 48 -0.550 3.604 9.327
401 HA3 GLY 48 1HA GLY 48 -0.031 2.965 10.879
402 H LEU 49 H LEU 49 1.376 1.752 7.959
403 HA LEU 49 HA LEU 49 3.997 2.696 8.673
404 HG LEU 49 HG LEU 49 5.140 2.486 5.783
405 HB2 LEU 49 2HB LEU 49 3.699 0.534 7.577
406 HB3 LEU 49 1HB LEU 49 2.952 1.311 6.195
407 HD11 LEU 49 1HD1 LEU 49 7.139 1.511 6.811
408 HD12 LEU 49 2HD1 LEU 49 6.113 0.520 7.848
409 HD13 LEU 49 3HD1 LEU 49 6.091 2.276 8.007
410 HD21 LEU 49 3HD2 LEU 49 6.203 0.522 4.783
411 HD22 LEU 49 1HD2 LEU 49 4.462 0.536 4.492
412 HD23 LEU 49 2HD2 LEU 49 5.144 -0.525 5.724
413 H ILE 50 H ILE 50 1.853 3.175 5.909
414 HA ILE 50 HA ILE 50 2.921 5.901 5.607
415 HB ILE 50 HB ILE 50 2.523 5.803 3.225
416 HG12 ILE 50 2HG1 ILE 50 1.674 2.919 3.549
417 HG13 ILE 50 1HG1 ILE 50 0.535 4.255 3.410
418 HG21 ILE 50 1HG2 ILE 50 4.053 3.375 4.154
419 HG22 ILE 50 2HG2 ILE 50 4.692 5.005 3.939
420 HG23 ILE 50 3HG2 ILE 50 4.147 4.080 2.540
421 HD11 ILE 50 3HD1 ILE 50 0.855 3.122 1.282
422 HD12 ILE 50 1HD1 ILE 50 2.582 3.474 1.348
423 HD13 ILE 50 2HD1 ILE 50 1.417 4.794 1.208
424 H THR 51 H THR 51 1.252 7.399 4.626
425 HA THR 51 HA THR 51 -1.349 6.717 5.759
426 HB THR 51 HB THR 51 -0.466 8.908 6.394
427 HG1 THR 51 HG1 THR 51 -2.354 10.030 5.996
428 HG21 THR 51 3HG2 THR 51 -0.688 9.671 3.483
429 HG22 THR 51 1HG2 THR 51 0.831 9.363 4.325
430 HG23 THR 51 2HG2 THR 51 -0.195 10.710 4.816
431 H GLU 52 H GLU 52 -3.278 6.951 4.553
432 HA GLU 52 HA GLU 52 -3.353 5.658 2.121
433 HB2 GLU 52 2HB GLU 52 -5.296 5.948 3.586
434 HB3 GLU 52 1HB GLU 52 -5.324 7.667 3.225
435 HG2 GLU 52 2HG GLU 52 -5.698 7.044 0.818
436 HG3 GLU 52 1HG GLU 52 -5.932 5.384 1.371
437 H ARG 53 H ARG 53 -3.250 9.105 2.790
438 HA ARG 53 HA ARG 53 -3.745 9.948 0.120
439 HE ARG 53 HE ARG 53 -5.634 12.483 0.665
440 HB2 ARG 53 2HB ARG 53 -2.323 11.595 2.199
441 HB3 ARG 53 1HB ARG 53 -3.385 12.141 0.912
442 HG2 ARG 53 2HG ARG 53 -4.148 10.726 3.451
443 HG3 ARG 53 1HG ARG 53 -4.566 12.365 2.955
444 HD2 ARG 53 2HD ARG 53 -5.461 9.889 1.494
445 HD3 ARG 53 1HD ARG 53 -6.412 10.684 2.747
446 HH11 ARG 53 1HH1 ARG 53 -7.910 9.957 1.496
447 HH12 ARG 53 2HH1 ARG 53 -9.181 10.593 0.491
448 HH21 ARG 53 1HH2 ARG 53 -7.295 13.331 -0.644
449 HH22 ARG 53 2HH2 ARG 53 -8.828 12.518 -0.727
450 H GLU 54 H GLU 54 -0.943 8.990 1.876
451 HA GLU 54 HA GLU 54 1.012 10.181 0.169
452 HB2 GLU 54 2HB GLU 54 1.561 9.603 2.463
453 HB3 GLU 54 1HB GLU 54 1.170 7.915 2.166
454 HG2 GLU 54 2HG GLU 54 3.046 7.713 0.659
455 HG3 GLU 54 1HG GLU 54 3.419 9.425 0.856
456 H ALA 55 H ALA 55 -0.494 7.004 0.474
457 HA ALA 55 HA ALA 55 0.896 5.753 -1.640
458 HB1 ALA 55 3HB ALA 55 -1.896 5.188 -0.636
459 HB2 ALA 55 1HB ALA 55 -0.408 4.517 0.036
460 HB3 ALA 55 2HB ALA 55 -0.897 4.105 -1.608
461 H LEU 56 H LEU 56 -2.178 7.504 -1.523
462 HA LEU 56 HA LEU 56 -2.917 7.282 -4.217
463 HG LEU 56 HG LEU 56 -4.246 7.493 -1.381
464 HB2 LEU 56 2HB LEU 56 -3.381 9.620 -2.354
465 HB3 LEU 56 1HB LEU 56 -4.279 9.271 -3.819
466 HD11 LEU 56 1HD1 LEU 56 -5.316 9.596 -0.850
467 HD12 LEU 56 2HD1 LEU 56 -6.530 8.325 -1.007
468 HD13 LEU 56 3HD1 LEU 56 -6.300 9.491 -2.310
469 HD21 LEU 56 3HD2 LEU 56 -4.691 6.319 -3.481
470 HD22 LEU 56 1HD2 LEU 56 -5.986 7.459 -3.843
471 HD23 LEU 56 2HD2 LEU 56 -6.123 6.379 -2.454
472 H ASP 57 H ASP 57 -0.759 9.533 -2.577
473 HA ASP 57 HA ASP 57 -0.452 11.292 -4.795
474 HB2 ASP 57 2HB ASP 57 -0.075 11.996 -2.457
475 HB3 ASP 57 1HB ASP 57 1.323 10.932 -2.371
476 H ARG 58 H ARG 58 1.762 8.891 -3.344
477 HA ARG 58 HA ARG 58 3.768 9.405 -5.283
478 HE ARG 58 HE ARG 58 4.227 6.925 -0.432
479 HB2 ARG 58 2HB ARG 58 5.004 7.570 -4.279
480 HB3 ARG 58 1HB ARG 58 4.326 8.613 -3.040
481 HG2 ARG 58 2HG ARG 58 2.633 7.014 -2.516
482 HG3 ARG 58 1HG ARG 58 3.081 6.016 -3.902
483 HD2 ARG 58 2HD ARG 58 4.000 5.020 -1.921
484 HD3 ARG 58 1HD ARG 58 5.318 5.689 -2.879
485 HH11 ARG 58 1HH1 ARG 58 6.848 6.395 -2.691
486 HH12 ARG 58 2HH1 ARG 58 8.037 7.176 -1.698
487 HH21 ARG 58 1HH2 ARG 58 5.811 7.928 0.911
488 HH22 ARG 58 2HH2 ARG 58 7.465 7.994 0.360
489 H TYR 59 H TYR 59 1.244 6.945 -5.052
490 HA TYR 59 HA TYR 59 2.343 5.584 -7.393
491 HD1 TYR 59 HD2 TYR 59 2.915 3.120 -7.112
492 HD2 TYR 59 HD1 TYR 59 0.954 4.310 -3.532
493 HE1 TYR 59 HE2 TYR 59 4.526 1.806 -5.804
494 HE2 TYR 59 HE1 TYR 59 2.556 2.989 -2.209
495 HH TYR 59 HH TYR 59 5.351 1.466 -3.701
496 HB2 TYR 59 2HB TYR 59 0.029 4.898 -5.573
497 HB3 TYR 59 1HB TYR 59 0.452 3.967 -7.005
498 H SER 60 H SER 60 0.459 8.183 -6.885
499 HA SER 60 HA SER 60 -1.113 9.335 -8.029
500 HG SER 60 HG SER 60 -1.858 9.838 -10.076
501 HB2 SER 60 2HB SER 60 0.697 8.978 -9.805
502 HB3 SER 60 1HB SER 60 -0.336 7.705 -10.454
503 H LEU 61 H LEU 61 -2.540 7.973 -6.637
504 HA LEU 61 HA LEU 61 -4.371 6.375 -8.315
505 HG LEU 61 HG LEU 61 -1.909 5.036 -6.944
506 HB2 LEU 61 2HB LEU 61 -3.668 5.898 -5.414
507 HB3 LEU 61 1HB LEU 61 -4.862 5.002 -6.332
508 HD11 LEU 61 1HD1 LEU 61 -3.581 2.916 -5.602
509 HD12 LEU 61 2HD1 LEU 61 -2.407 3.959 -4.798
510 HD13 LEU 61 3HD1 LEU 61 -1.869 2.795 -6.010
511 HD21 LEU 61 3HD2 LEU 61 -3.301 4.621 -8.903
512 HD22 LEU 61 1HD2 LEU 61 -4.162 3.349 -8.033
513 HD23 LEU 61 2HD2 LEU 61 -2.450 3.155 -8.414
514 H SER 62 H SER 62 -6.559 6.629 -7.897
515 HA SER 62 HA SER 62 -7.264 8.994 -6.331
516 HG SER 62 HG SER 62 -8.313 9.894 -8.960
517 HB2 SER 62 2HB SER 62 -8.939 7.336 -8.240
518 HB3 SER 62 1HB SER 62 -9.421 8.866 -7.505
519 H GLU 63 H GLU 63 -9.302 8.844 -5.004
520 HA GLU 63 HA GLU 63 -9.032 6.813 -3.077
521 HB2 GLU 63 2HB GLU 63 -11.264 8.771 -3.597
522 HB3 GLU 63 1HB GLU 63 -11.239 7.680 -2.216
523 HG2 GLU 63 2HG GLU 63 -9.234 8.680 -1.384
524 HG3 GLU 63 1HG GLU 63 -9.081 9.677 -2.832
525 H GLU 64 H GLU 64 -11.218 7.170 -5.812
526 HA GLU 64 HA GLU 64 -12.939 5.037 -5.282
527 HB2 GLU 64 2HB GLU 64 -13.369 5.024 -7.707
528 HB3 GLU 64 1HB GLU 64 -13.372 6.654 -7.042
529 HG2 GLU 64 2HG GLU 64 -10.971 6.829 -7.814
530 HG3 GLU 64 1HG GLU 64 -11.249 5.330 -8.700
531 H GLU 65 H GLU 65 -9.642 5.039 -6.240
532 HA GLU 65 HA GLU 65 -9.638 2.291 -7.161
533 HB2 GLU 65 2HB GLU 65 -8.146 3.991 -8.166
534 HB3 GLU 65 1HB GLU 65 -7.363 4.217 -6.611
535 HG2 GLU 65 2HG GLU 65 -5.964 2.861 -7.966
536 HG3 GLU 65 1HG GLU 65 -6.640 1.845 -6.696
537 H PHE 66 H PHE 66 -8.011 4.101 -4.558
538 HA PHE 66 HA PHE 66 -7.001 1.863 -3.217
539 HD1 PHE 66 HD2 PHE 66 -4.452 2.823 -2.014
540 HD2 PHE 66 HD1 PHE 66 -7.950 3.696 0.246
541 HE1 PHE 66 HE2 PHE 66 -3.323 2.042 0.029
542 HE2 PHE 66 HE1 PHE 66 -6.827 2.920 2.290
543 HZ PHE 66 HZ PHE 66 -4.513 2.093 2.181
544 HB2 PHE 66 2HB PHE 66 -6.219 4.214 -2.921
545 HB3 PHE 66 1HB PHE 66 -7.678 4.545 -1.995
546 H ALA 67 H ALA 67 -10.085 3.538 -2.888
547 HA ALA 67 HA ALA 67 -10.931 2.328 -0.496
548 HB1 ALA 67 3HB ALA 67 -13.185 2.974 -1.148
549 HB2 ALA 67 1HB ALA 67 -12.635 3.272 -2.796
550 HB3 ALA 67 2HB ALA 67 -12.044 4.282 -1.475
551 H LEU 68 H LEU 68 -10.961 1.224 -3.825
552 HA LEU 68 HA LEU 68 -12.556 -1.097 -3.298
553 HG LEU 68 HG LEU 68 -12.519 1.059 -5.643
554 HB2 LEU 68 2HB LEU 68 -10.677 -0.508 -5.584
555 HB3 LEU 68 1HB LEU 68 -11.792 -1.859 -5.515
556 HD11 LEU 68 1HD1 LEU 68 -12.895 -1.189 -7.613
557 HD12 LEU 68 2HD1 LEU 68 -11.730 0.127 -7.750
558 HD13 LEU 68 3HD1 LEU 68 -13.460 0.470 -7.812
559 HD21 LEU 68 3HD2 LEU 68 -14.095 -0.139 -4.227
560 HD22 LEU 68 1HD2 LEU 68 -14.308 -1.362 -5.478
561 HD23 LEU 68 2HD2 LEU 68 -14.840 0.294 -5.767
562 H TRP 69 H TRP 69 -9.106 -0.380 -3.541
563 HA TRP 69 HA TRP 69 -8.053 -2.939 -3.287
564 HD1 TRP 69 HD1 TRP 69 -8.162 -1.075 -5.245
565 HE1 TRP 69 HE1 TRP 69 -6.610 -0.431 -7.187
566 HE3 TRP 69 HE3 TRP 69 -3.761 -0.725 -2.667
567 HZ2 TRP 69 HZ2 TRP 69 -3.872 0.141 -7.574
568 HZ3 TRP 69 HZ3 TRP 69 -1.721 -0.122 -3.899
569 HH2 TRP 69 HH2 TRP 69 -1.778 0.298 -6.299
570 HB2 TRP 69 2HB TRP 69 -7.013 -0.333 -2.157
571 HB3 TRP 69 1HB TRP 69 -6.090 -1.831 -2.168
572 H ARG 70 H ARG 70 -8.851 -0.665 -0.660
573 HA ARG 70 HA ARG 70 -8.186 -2.494 1.390
574 HE ARG 70 HE ARG 70 -10.573 0.746 4.013
575 HB2 ARG 70 2HB ARG 70 -9.309 -0.941 2.920
576 HB3 ARG 70 1HB ARG 70 -8.226 -0.105 1.821
577 HG2 ARG 70 2HG ARG 70 -10.272 0.404 0.417
578 HG3 ARG 70 1HG ARG 70 -11.223 -0.166 1.789
579 HD2 ARG 70 2HD ARG 70 -9.187 2.053 1.892
580 HD3 ARG 70 1HD ARG 70 -10.927 2.288 1.770
581 HH11 ARG 70 1HH1 ARG 70 -9.427 3.851 2.900
582 HH12 ARG 70 2HH1 ARG 70 -9.299 4.536 4.490
583 HH21 ARG 70 1HH2 ARG 70 -10.405 1.639 6.147
584 HH22 ARG 70 2HH2 ARG 70 -9.842 3.271 6.328
585 H SER 71 H SER 71 -11.158 -1.929 -0.389
586 HA SER 71 HA SER 71 -12.817 -3.416 1.388
587 HG SER 71 HG SER 71 -13.267 -0.824 -0.426
588 HB2 SER 71 2HB SER 71 -13.234 -2.697 -1.522
589 HB3 SER 71 1HB SER 71 -14.471 -3.368 -0.458
590 H ALA 72 H ALA 72 -10.729 -4.274 -1.269
591 HA ALA 72 HA ALA 72 -11.895 -6.942 -1.469
592 HB1 ALA 72 3HB ALA 72 -9.670 -5.663 -3.050
593 HB2 ALA 72 1HB ALA 72 -11.365 -5.761 -3.529
594 HB3 ALA 72 2HB ALA 72 -10.403 -7.232 -3.383
595 H VAL 73 H VAL 73 -8.853 -5.413 -0.481
596 HA VAL 73 HA VAL 73 -7.576 -7.976 -0.087
597 HB VAL 73 HB VAL 73 -6.582 -5.200 0.572
598 HG11 VAL 73 1HG1 VAL 73 -5.097 -7.826 0.471
599 HG12 VAL 73 2HG1 VAL 73 -5.473 -6.898 1.924
600 HG13 VAL 73 3HG1 VAL 73 -4.371 -6.237 0.716
601 HG21 VAL 73 3HG2 VAL 73 -5.223 -5.441 -1.450
602 HG22 VAL 73 1HG2 VAL 73 -6.946 -5.522 -1.816
603 HG23 VAL 73 2HG2 VAL 73 -5.983 -7.000 -1.774
604 H ALA 74 H ALA 74 -8.837 -5.390 2.005
605 HA ALA 74 HA ALA 74 -7.836 -6.600 4.395
606 HB1 ALA 74 3HB ALA 74 -9.105 -4.912 5.580
607 HB2 ALA 74 1HB ALA 74 -9.965 -4.489 4.098
608 HB3 ALA 74 2HB ALA 74 -8.232 -4.187 4.229
609 H ALA 75 H ALA 75 -10.823 -6.802 2.588
610 HA ALA 75 HA ALA 75 -12.240 -8.182 4.692
611 HB1 ALA 75 3HB ALA 75 -12.994 -7.839 1.788
612 HB2 ALA 75 1HB ALA 75 -13.438 -6.744 3.099
613 HB3 ALA 75 2HB ALA 75 -14.050 -8.398 3.088
614 H HIS 76 H HIS 76 -9.807 -9.076 2.717
615 HA HIS 76 HA HIS 76 -10.754 -11.695 1.976
616 HD1 HIS 76 HD1 HIS 76 -6.427 -12.306 0.594
617 HD2 HIS 76 HD2 HIS 76 -10.475 -13.117 0.085
618 HE1 HIS 76 HE1 HIS 76 -6.530 -14.395 -0.803
619 HE2 HIS 76 HE2 HIS 76 -8.982 -14.762 -1.249
620 HB2 HIS 76 2HB HIS 76 -9.017 -10.245 0.723
621 HB3 HIS 76 1HB HIS 76 -7.880 -10.791 1.948
622 H GLY 77 H GLY 77 -11.043 -13.139 3.505
623 HA2 GLY 77 2HA GLY 77 -9.210 -14.354 5.102
624 HA3 GLY 77 1HA GLY 77 -9.704 -12.960 6.058
625 H GLU 78 H GLU 78 -11.278 -15.368 3.997
626 HA GLU 78 HA GLU 78 -13.672 -15.216 5.631
627 HB2 GLU 78 2HB GLU 78 -14.648 -16.642 3.843
628 HB3 GLU 78 1HB GLU 78 -13.953 -15.144 3.233
629 HG2 GLU 78 2HG GLU 78 -11.918 -16.393 2.599
630 HG3 GLU 78 1HG GLU 78 -12.702 -17.881 3.122
631 H LYS 79 H LYS 79 -10.905 -16.892 5.927
632 HA LYS 79 HA LYS 79 -11.966 -19.526 6.372
633 HB2 LYS 79 2HB LYS 79 -9.266 -18.338 7.022
634 HB3 LYS 79 1HB LYS 79 -9.689 -20.030 7.249
635 HG2 LYS 79 2HG LYS 79 -10.143 -20.203 4.825
636 HG3 LYS 79 1HG LYS 79 -9.597 -18.534 4.640
637 HD2 LYS 79 2HD LYS 79 -7.791 -20.054 4.084
638 HD3 LYS 79 1HD LYS 79 -7.401 -19.179 5.567
639 HE2 LYS 79 2HE LYS 79 -8.156 -21.125 6.880
640 HE3 LYS 79 1HE LYS 79 -8.471 -21.996 5.382
641 HZ1 LYS 79 3HZ LYS 79 -6.111 -21.790 4.830
642 HZ2 LYS 79 1HZ LYS 79 -6.334 -22.618 6.293
643 HZ3 LYS 79 2HZ LYS 79 -5.826 -21.002 6.303
644 H ALA 80 H ALA 80 -10.784 -16.907 8.472
645 HA ALA 80 HA ALA 80 -12.443 -17.910 10.631
646 HB1 ALA 80 3HB ALA 80 -10.357 -19.167 10.915
647 HB2 ALA 80 1HB ALA 80 -10.622 -18.037 12.241
648 HB3 ALA 80 2HB ALA 80 -9.457 -17.652 10.975
649 H LEU 81 H LEU 81 -13.198 -16.308 11.874
650 HA LEU 81 HA LEU 81 -12.011 -13.637 11.489
651 HG LEU 81 HG LEU 81 -13.517 -12.766 9.754
652 HB2 LEU 81 2HB LEU 81 -14.885 -14.451 11.851
653 HB3 LEU 81 1HB LEU 81 -14.345 -12.812 12.149
654 HD11 LEU 81 1HD1 LEU 81 -15.180 -15.271 9.570
655 HD12 LEU 81 2HD1 LEU 81 -13.435 -15.155 9.333
656 HD13 LEU 81 3HD1 LEU 81 -14.537 -14.363 8.204
657 HD21 LEU 81 3HD2 LEU 81 -16.461 -13.132 10.273
658 HD22 LEU 81 1HD2 LEU 81 -15.764 -12.372 8.845
659 HD23 LEU 81 2HD2 LEU 81 -15.543 -11.634 10.431
660 H LYS 82 H LYS 82 -10.611 -14.327 13.277
661 HA LYS 82 HA LYS 82 -11.794 -14.434 15.915
662 HB2 LYS 82 2HB LYS 82 -9.698 -15.697 15.181
663 HB3 LYS 82 1HB LYS 82 -8.868 -14.151 15.215
664 HG2 LYS 82 2HG LYS 82 -9.338 -13.927 17.590
665 HG3 LYS 82 1HG LYS 82 -10.215 -15.457 17.568
666 HD2 LYS 82 2HD LYS 82 -8.006 -15.841 18.431
667 HD3 LYS 82 1HD LYS 82 -8.129 -16.585 16.835
668 HE2 LYS 82 2HE LYS 82 -7.020 -14.604 15.866
669 HE3 LYS 82 1HE LYS 82 -6.843 -13.937 17.489
670 HZ1 LYS 82 3HZ LYS 82 -5.623 -16.441 16.458
671 HZ2 LYS 82 1HZ LYS 82 -5.532 -15.927 18.072
672 HZ3 LYS 82 2HZ LYS 82 -4.812 -15.003 16.843
673 H VAL 83 H VAL 83 -10.847 -12.862 17.620
674 HA VAL 83 HA VAL 83 -11.739 -10.317 17.190
675 HB VAL 83 HB VAL 83 -11.267 -11.186 19.408
676 HG11 VAL 83 1HG1 VAL 83 -8.352 -10.817 18.731
677 HG12 VAL 83 2HG1 VAL 83 -9.181 -12.357 18.948
678 HG13 VAL 83 3HG1 VAL 83 -8.997 -11.257 20.313
679 HG21 VAL 83 3HG2 VAL 83 -11.482 -8.784 19.173
680 HG22 VAL 83 1HG2 VAL 83 -9.761 -8.642 18.816
681 HG23 VAL 83 2HG2 VAL 83 -10.290 -9.166 20.415
682 H THR 84 H THR 84 -8.455 -11.481 16.621
683 HA THR 84 HA THR 84 -7.203 -9.052 16.029
684 HB THR 84 HB THR 84 -6.560 -11.629 14.623
685 HG1 THR 84 HG1 THR 84 -5.303 -11.341 17.028
686 HG21 THR 84 3HG2 THR 84 -4.821 -9.450 15.794
687 HG22 THR 84 1HG2 THR 84 -5.214 -9.642 14.086
688 HG23 THR 84 2HG2 THR 84 -4.252 -10.868 14.914
689 H MET 85 H MET 85 -9.251 -11.144 14.115
690 HA MET 85 HA MET 85 -8.508 -10.059 11.575
691 HB2 MET 85 2HB MET 85 -10.751 -11.878 12.441
692 HB3 MET 85 1HB MET 85 -10.506 -11.381 10.769
693 HG2 MET 85 2HG MET 85 -8.517 -12.886 12.452
694 HG3 MET 85 1HG MET 85 -9.584 -13.599 11.245
695 HE1 MET 85 3HE MET 85 -6.070 -13.842 9.546
696 HE2 MET 85 1HE MET 85 -7.508 -14.727 10.059
697 HE3 MET 85 2HE MET 85 -6.430 -14.022 11.265
698 H ILE 86 H ILE 86 -10.924 -9.352 13.972
699 HA ILE 86 HA ILE 86 -12.736 -7.969 12.337
700 HB ILE 86 HB ILE 86 -12.163 -7.807 15.282
701 HG12 ILE 86 2HG1 ILE 86 -14.752 -8.482 15.042
702 HG13 ILE 86 1HG1 ILE 86 -14.166 -9.050 13.480
703 HG21 ILE 86 1HG2 ILE 86 -12.808 -5.544 14.611
704 HG22 ILE 86 2HG2 ILE 86 -14.076 -6.315 15.563
705 HG23 ILE 86 3HG2 ILE 86 -14.243 -6.188 13.812
706 HD11 ILE 86 3HD1 ILE 86 -13.186 -9.904 16.185
707 HD12 ILE 86 1HD1 ILE 86 -12.481 -10.408 14.649
708 HD13 ILE 86 2HD1 ILE 86 -14.141 -10.851 15.048
709 H GLN 87 H GLN 87 -9.691 -6.969 13.769
710 HA GLN 87 HA GLN 87 -9.834 -4.212 13.479
711 HB2 GLN 87 2HB GLN 87 -7.912 -5.314 14.515
712 HB3 GLN 87 1HB GLN 87 -7.455 -6.015 12.969
713 HG2 GLN 87 2HG GLN 87 -7.099 -3.740 12.076
714 HG3 GLN 87 1HG GLN 87 -7.470 -3.086 13.671
715 HE21 GLN 87 1HE2 GLN 87 -5.991 -3.324 15.326
716 HE22 GLN 87 2HE2 GLN 87 -4.347 -3.777 15.040
717 H LYS 88 H LYS 88 -9.041 -6.675 11.085
718 HA LYS 88 HA LYS 88 -8.353 -5.020 8.939
719 HB2 LYS 88 2HB LYS 88 -9.730 -7.714 8.859
720 HB3 LYS 88 1HB LYS 88 -8.889 -6.952 7.520
721 HG2 LYS 88 2HG LYS 88 -6.795 -7.300 8.471
722 HG3 LYS 88 1HG LYS 88 -7.467 -7.573 10.082
723 HD2 LYS 88 2HD LYS 88 -6.699 -9.658 9.006
724 HD3 LYS 88 1HD LYS 88 -8.426 -9.678 9.363
725 HE2 LYS 88 2HE LYS 88 -8.816 -8.967 6.985
726 HE3 LYS 88 1HE LYS 88 -7.100 -9.244 6.694
727 HZ1 LYS 88 3HZ LYS 88 -7.406 -11.555 7.364
728 HZ2 LYS 88 1HZ LYS 88 -8.402 -11.158 6.054
729 HZ3 LYS 88 2HZ LYS 88 -9.061 -11.277 7.609
730 H TYR 89 H TYR 89 -11.494 -6.338 9.912
731 HA TYR 89 HA TYR 89 -12.760 -5.329 7.522
732 HD1 TYR 89 HD2 TYR 89 -12.617 -7.450 6.544
733 HD2 TYR 89 HD1 TYR 89 -13.543 -8.812 10.467
734 HE1 TYR 89 HE2 TYR 89 -11.502 -9.584 6.060
735 HE2 TYR 89 HE1 TYR 89 -12.417 -10.948 9.993
736 HH TYR 89 HH TYR 89 -11.838 -12.316 7.924
737 HB2 TYR 89 2HB TYR 89 -14.107 -6.646 9.883
738 HB3 TYR 89 1HB TYR 89 -14.692 -6.552 8.224
739 H ARG 90 H ARG 90 -12.553 -4.445 10.904
740 HA ARG 90 HA ARG 90 -14.733 -2.564 10.744
741 HE ARG 90 HE ARG 90 -13.734 -1.112 14.613
742 HB2 ARG 90 2HB ARG 90 -14.276 -2.035 13.016
743 HB3 ARG 90 1HB ARG 90 -14.061 -3.770 12.851
744 HG2 ARG 90 2HG ARG 90 -11.674 -3.538 12.852
745 HG3 ARG 90 1HG ARG 90 -11.806 -1.779 12.807
746 HD2 ARG 90 2HD ARG 90 -12.771 -3.555 15.044
747 HD3 ARG 90 1HD ARG 90 -11.281 -2.613 15.057
748 HH11 ARG 90 1HH1 ARG 90 -11.282 -2.194 16.867
749 HH12 ARG 90 2HH1 ARG 90 -11.690 -1.010 18.078
750 HH21 ARG 90 1HH2 ARG 90 -14.279 0.457 16.205
751 HH22 ARG 90 2HH2 ARG 90 -13.374 0.509 17.696
752 H GLN 91 H GLN 91 -11.337 -2.523 10.149
753 HA GLN 91 HA GLN 91 -11.175 0.383 10.236
754 HB2 GLN 91 2HB GLN 91 -9.299 -1.149 10.975
755 HB3 GLN 91 1HB GLN 91 -9.083 -1.579 9.287
756 HG2 GLN 91 2HG GLN 91 -8.446 0.649 8.727
757 HG3 GLN 91 1HG GLN 91 -8.879 1.228 10.336
758 HE21 GLN 91 1HE2 GLN 91 -6.327 1.380 8.931
759 HE22 GLN 91 2HE2 GLN 91 -5.177 0.577 9.945
760 H LEU 92 H LEU 92 -11.669 -2.207 8.056
761 HA LEU 92 HA LEU 92 -11.210 -0.959 5.586
762 HG LEU 92 HG LEU 92 -11.937 -2.482 3.654
763 HB2 LEU 92 2HB LEU 92 -11.634 -3.401 6.009
764 HB3 LEU 92 1HB LEU 92 -13.317 -3.015 6.289
765 HD11 LEU 92 1HD1 LEU 92 -11.809 -4.865 4.200
766 HD12 LEU 92 2HD1 LEU 92 -12.923 -4.563 2.870
767 HD13 LEU 92 3HD1 LEU 92 -13.547 -4.893 4.486
768 HD21 LEU 92 3HD2 LEU 92 -14.852 -2.768 4.389
769 HD22 LEU 92 1HD2 LEU 92 -14.210 -2.456 2.778
770 HD23 LEU 92 2HD2 LEU 92 -14.027 -1.248 4.051
771 H HIS 93 H HIS 93 -14.171 -1.316 7.511
772 HA HIS 93 HA HIS 93 -15.636 0.455 5.756
773 HD1 HIS 93 HD1 HIS 93 -18.796 -0.741 5.491
774 HD2 HIS 93 HD2 HIS 93 -18.042 1.349 9.005
775 HE1 HIS 93 HE1 HIS 93 -20.813 0.720 5.863
776 HE2 HIS 93 HE2 HIS 93 -20.259 2.095 7.911
777 HB2 HIS 93 2HB HIS 93 -16.726 -1.535 6.685
778 HB3 HIS 93 1HB HIS 93 -16.451 -0.940 8.318
779 H HIS 94 H HIS 94 -15.316 2.585 5.955
780 HA HIS 94 HA HIS 94 -15.292 3.688 8.689
781 HD1 HIS 94 HD1 HIS 94 -14.752 7.427 6.879
782 HD2 HIS 94 HD2 HIS 94 -12.876 5.265 9.904
783 HE1 HIS 94 HE1 HIS 94 -14.156 9.108 8.658
784 HE2 HIS 94 HE2 HIS 94 -13.166 7.754 10.537
785 HB2 HIS 94 2HB HIS 94 -13.199 4.086 7.340
786 HB3 HIS 94 1HB HIS 94 -14.173 5.025 6.213
787 H HIS 95 H HIS 95 -17.548 3.742 8.794
788 HA HIS 95 HA HIS 95 -18.760 6.141 8.075
789 HD1 HIS 95 HD1 HIS 95 -22.191 4.160 6.239
790 HD2 HIS 95 HD2 HIS 95 -20.132 7.771 6.032
791 HE1 HIS 95 HE1 HIS 95 -23.938 5.919 5.810
792 HE2 HIS 95 HE2 HIS 95 -22.683 8.100 5.736
793 HB2 HIS 95 2HB HIS 95 -18.737 5.197 5.762
794 HB3 HIS 95 1HB HIS 95 -19.714 3.847 6.336
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