Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
599111 | 2rvc RC | 11595 | 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 11.504 -11.403 6.937
2 HB2 MET 1 2HB MET 1 13.882 -11.863 6.339
3 HB3 MET 1 1HB MET 1 13.532 -12.207 8.019
4 HG2 MET 1 2HG MET 1 13.437 -14.607 7.487
5 HG3 MET 1 1HG MET 1 13.829 -14.236 5.808
6 HE1 MET 1 2HE MET 1 17.161 -15.845 7.097
7 HE2 MET 1 3HE MET 1 15.912 -15.889 5.851
8 HE3 MET 1 1HE MET 1 15.517 -16.323 7.514
9 H SER 2 H SER 2 10.152 -11.194 5.314
10 HA SER 2 HA SER 2 11.027 -12.285 2.781
11 HB2 SER 2 2HB SER 2 8.170 -12.568 3.770
12 HB3 SER 2 1HB SER 2 8.752 -13.012 2.165
13 HG SER 2 HG SER 2 10.344 -14.243 3.729
14 H ALA 3 H ALA 3 8.348 -10.435 4.291
15 HA ALA 3 HA ALA 3 9.064 -7.956 3.187
16 HB1 ALA 3 1HB ALA 3 8.356 -9.049 1.044
17 HB2 ALA 3 2HB ALA 3 7.342 -7.670 1.469
18 HB3 ALA 3 3HB ALA 3 6.758 -9.311 1.743
19 H GLU 4 H GLU 4 8.372 -9.007 5.573
20 HA GLU 4 HA GLU 4 5.835 -8.476 6.505
21 HB2 GLU 4 2HB GLU 4 8.546 -8.331 7.557
22 HB3 GLU 4 1HB GLU 4 7.196 -8.045 8.683
23 HG2 GLU 4 2HG GLU 4 7.655 -10.300 9.067
24 HG3 GLU 4 1HG GLU 4 6.521 -10.467 7.737
25 H THR 5 H THR 5 8.687 -6.421 7.139
26 HA THR 5 HA THR 5 7.341 -4.149 8.008
27 HB THR 5 HB THR 5 10.101 -4.214 6.806
28 HG1 THR 5 HG1 THR 5 9.353 -5.146 9.394
29 HG21 THR 5 3HG2 THR 5 8.946 -2.887 9.279
30 HG22 THR 5 1HG2 THR 5 9.286 -2.081 7.746
31 HG23 THR 5 2HG2 THR 5 10.609 -2.739 8.710
32 H GLN 6 H GLN 6 7.799 -5.327 4.904
33 HA GLN 6 HA GLN 6 8.117 -2.974 3.356
34 HB2 GLN 6 2HB GLN 6 8.571 -5.278 2.519
35 HB3 GLN 6 1HB GLN 6 6.847 -5.604 2.576
36 HG2 GLN 6 2HG GLN 6 6.572 -3.658 0.980
37 HG3 GLN 6 1HG GLN 6 8.320 -3.718 0.768
38 HE21 GLN 6 2HE2 GLN 6 8.262 -6.582 -1.227
39 HE22 GLN 6 1HE2 GLN 6 9.227 -5.505 -0.294
40 H MET 7 H MET 7 5.409 -4.556 4.906
41 HA MET 7 HA MET 7 3.355 -3.456 3.276
42 HB2 MET 7 2HB MET 7 3.143 -4.389 6.146
43 HB3 MET 7 1HB MET 7 1.807 -4.163 5.029
44 HG2 MET 7 2HG MET 7 3.983 -6.234 4.837
45 HG3 MET 7 1HG MET 7 2.304 -6.511 5.290
46 HE1 MET 7 3HE MET 7 2.134 -8.465 3.543
47 HE2 MET 7 1HE MET 7 3.823 -8.207 3.100
48 HE3 MET 7 2HE MET 7 2.592 -8.320 1.844
49 H GLU 8 H GLU 8 4.634 -2.606 6.427
50 HA GLU 8 HA GLU 8 3.286 -0.296 7.001
51 HB2 GLU 8 2HB GLU 8 6.147 -1.113 7.452
52 HB3 GLU 8 1HB GLU 8 5.480 0.360 8.118
53 HG2 GLU 8 2HG GLU 8 5.606 -1.368 9.794
54 HG3 GLU 8 1HG GLU 8 3.938 -0.949 9.457
55 H ARG 9 H ARG 9 6.148 -0.716 5.051
56 HA ARG 9 HA ARG 9 6.565 2.109 4.625
57 HB2 ARG 9 2HB ARG 9 8.312 0.254 4.746
58 HB3 ARG 9 1HB ARG 9 7.771 -0.266 3.176
59 HG2 ARG 9 2HG ARG 9 8.972 2.448 3.703
60 HG3 ARG 9 1HG ARG 9 9.923 1.036 3.290
61 HD2 ARG 9 2HD ARG 9 8.349 0.937 1.204
62 HD3 ARG 9 1HD ARG 9 8.037 2.631 1.609
63 HE ARG 9 HE ARG 9 10.836 1.923 1.550
64 HH11 ARG 9 1HH1 ARG 9 8.214 3.303 -0.434
65 HH12 ARG 9 2HH1 ARG 9 9.264 3.892 -1.587
66 HH21 ARG 9 2HH2 ARG 9 11.687 3.595 -1.281
67 HH22 ARG 9 1HH2 ARG 9 12.145 2.632 0.066
68 H LYS 10 H LYS 10 4.898 -0.388 2.885
69 HA LYS 10 HA LYS 10 4.705 1.140 0.468
70 HB2 LYS 10 2HB LYS 10 3.207 -1.288 1.401
71 HB3 LYS 10 1HB LYS 10 2.877 -0.517 -0.144
72 HG2 LYS 10 2HG LYS 10 5.153 -0.945 -0.868
73 HG3 LYS 10 1HG LYS 10 5.539 -1.636 0.705
74 HD2 LYS 10 2HD LYS 10 3.516 -2.730 -1.264
75 HD3 LYS 10 1HD LYS 10 5.129 -3.384 -0.976
76 HE2 LYS 10 2HE LYS 10 4.439 -3.701 1.436
77 HE3 LYS 10 1HE LYS 10 2.799 -3.301 0.936
78 HZ1 LYS 10 3HZ LYS 10 4.438 -5.553 -0.056
79 HZ2 LYS 10 1HZ LYS 10 2.854 -5.205 -0.579
80 HZ3 LYS 10 2HZ LYS 10 3.152 -5.655 1.035
81 H ILE 11 H ILE 11 2.686 0.909 3.388
82 HA ILE 11 HA ILE 11 0.533 2.166 2.041
83 HB ILE 11 HB ILE 11 -0.441 2.394 4.229
84 HG12 ILE 11 2HG1 ILE 11 2.148 1.190 5.180
85 HG13 ILE 11 1HG1 ILE 11 1.439 2.731 5.639
86 HG21 ILE 11 1HG2 ILE 11 -0.774 0.349 2.925
87 HG22 ILE 11 2HG2 ILE 11 -0.637 -0.093 4.645
88 HG23 ILE 11 3HG2 ILE 11 0.756 -0.265 3.560
89 HD11 ILE 11 3HD1 ILE 11 0.412 0.035 6.215
90 HD12 ILE 11 1HD1 ILE 11 -0.369 1.532 6.756
91 HD13 ILE 11 2HD1 ILE 11 1.251 1.091 7.360
92 H ILE 12 H ILE 12 3.204 3.187 4.097
93 HA ILE 12 HA ILE 12 2.128 5.813 4.186
94 HB ILE 12 HB ILE 12 3.957 6.495 5.404
95 HG12 ILE 12 2HG1 ILE 12 6.131 4.803 5.155
96 HG13 ILE 12 1HG1 ILE 12 5.464 4.868 3.545
97 HG21 ILE 12 1HG2 ILE 12 4.668 4.780 6.967
98 HG22 ILE 12 2HG2 ILE 12 3.954 3.555 5.919
99 HG23 ILE 12 3HG2 ILE 12 2.931 4.782 6.663
100 HD11 ILE 12 3HD1 ILE 12 6.204 7.373 5.090
101 HD12 ILE 12 1HD1 ILE 12 5.464 7.335 3.499
102 HD13 ILE 12 2HD1 ILE 12 7.084 6.706 3.710
103 H ASP 13 H ASP 13 4.033 3.967 1.942
104 HA ASP 13 HA ASP 13 5.204 6.166 0.628
105 HB2 ASP 13 2HB ASP 13 5.950 3.751 0.382
106 HB3 ASP 13 1HB ASP 13 4.578 3.532 -0.703
107 H PHE 14 H PHE 14 2.212 4.403 0.192
108 HA PHE 14 HA PHE 14 1.188 5.689 -2.048
109 HB2 PHE 14 2HB PHE 14 0.047 3.797 -1.122
110 HB3 PHE 14 1HB PHE 14 -0.088 4.566 0.450
111 HD1 PHE 14 HD1 PHE 14 -1.756 6.119 0.903
112 HD2 PHE 14 HD2 PHE 14 -1.427 4.419 -2.945
113 HE1 PHE 14 HE1 PHE 14 -4.006 6.953 0.380
114 HE2 PHE 14 HE2 PHE 14 -3.690 5.241 -3.524
115 HZ PHE 14 HZ PHE 14 -4.988 6.517 -1.855
116 H LEU 15 H LEU 15 0.867 6.511 1.377
117 HA LEU 15 HA LEU 15 -0.458 8.942 1.268
118 HB2 LEU 15 2HB LEU 15 -0.280 8.263 3.251
119 HB3 LEU 15 1HB LEU 15 1.322 7.520 3.118
120 HG LEU 15 HG LEU 15 1.915 10.116 2.925
121 HD11 LEU 15 1HD1 LEU 15 -0.180 10.912 3.111
122 HD12 LEU 15 2HD1 LEU 15 0.779 11.459 4.494
123 HD13 LEU 15 3HD1 LEU 15 -0.447 10.186 4.708
124 HD21 LEU 15 3HD2 LEU 15 3.119 8.811 4.308
125 HD22 LEU 15 1HD2 LEU 15 1.754 8.428 5.365
126 HD23 LEU 15 2HD2 LEU 15 2.454 10.063 5.370
127 H ARG 16 H ARG 16 2.881 8.196 1.318
128 HA ARG 16 HA ARG 16 4.138 10.552 1.311
129 HB2 ARG 16 2HB ARG 16 5.407 8.630 1.484
130 HB3 ARG 16 1HB ARG 16 4.685 7.950 0.037
131 HG2 ARG 16 2HG ARG 16 5.898 9.363 -1.335
132 HG3 ARG 16 1HG ARG 16 6.524 10.261 0.043
133 HD2 ARG 16 2HD ARG 16 7.519 8.040 0.820
134 HD3 ARG 16 1HD ARG 16 7.022 7.371 -0.717
135 HE ARG 16 HE ARG 16 8.594 9.697 -1.058
136 HH11 ARG 16 1HH1 ARG 16 8.712 6.172 -0.828
137 HH12 ARG 16 2HH1 ARG 16 10.449 6.116 -0.893
138 HH21 ARG 16 2HH2 ARG 16 11.718 8.001 -1.283
139 HH22 ARG 16 1HH2 ARG 16 10.989 9.533 -1.379
140 H GLN 17 H GLN 17 2.833 8.836 -1.272
141 HA GLN 17 HA GLN 17 3.636 10.574 -3.379
142 HB2 GLN 17 2HB GLN 17 1.588 8.357 -3.412
143 HB3 GLN 17 1HB GLN 17 2.139 9.225 -4.837
144 HG2 GLN 17 2HG GLN 17 4.405 8.386 -4.490
145 HG3 GLN 17 1HG GLN 17 3.882 7.564 -3.024
146 HE21 GLN 17 2HE2 GLN 17 3.576 4.746 -5.040
147 HE22 GLN 17 1HE2 GLN 17 4.463 5.504 -3.779
148 H ASN 18 H ASN 18 0.716 10.427 -1.298
149 HA ASN 18 HA ASN 18 -0.398 12.458 -3.110
150 HB2 ASN 18 2HB ASN 18 -1.682 11.495 -0.530
151 HB3 ASN 18 1HB ASN 18 -2.449 12.436 -1.802
152 HD21 ASN 18 2HD2 ASN 18 -2.353 8.450 -1.903
153 HD22 ASN 18 1HD2 ASN 18 -1.852 9.462 -0.584
154 H GLY 19 H GLY 19 1.138 12.106 -0.134
155 HA2 GLY 19 2HA GLY 19 2.393 14.407 0.111
156 HA3 GLY 19 1HA GLY 19 0.773 14.872 0.608
157 H LYS 20 H LYS 20 3.495 12.597 1.403
158 HA LYS 20 HA LYS 20 3.054 11.656 3.794
159 HB2 LYS 20 2HB LYS 20 5.447 12.841 4.284
160 HB3 LYS 20 1HB LYS 20 5.229 11.335 3.418
161 HG2 LYS 20 2HG LYS 20 6.765 12.777 2.271
162 HG3 LYS 20 1HG LYS 20 5.313 12.520 1.302
163 HD2 LYS 20 2HD LYS 20 6.022 14.849 1.072
164 HD3 LYS 20 1HD LYS 20 4.533 14.800 2.004
165 HE2 LYS 20 2HE LYS 20 6.062 16.396 2.963
166 HE3 LYS 20 1HE LYS 20 5.830 15.046 4.062
167 HZ1 LYS 20 3HZ LYS 20 8.148 15.776 3.898
168 HZ2 LYS 20 1HZ LYS 20 8.179 15.445 2.270
169 HZ3 LYS 20 2HZ LYS 20 8.043 14.167 3.341
170 H SER 21 H SER 21 3.227 12.297 5.999
171 HA SER 21 HA SER 21 2.926 14.984 6.824
172 HB2 SER 21 2HB SER 21 0.947 14.827 5.258
173 HB3 SER 21 1HB SER 21 0.313 13.529 6.258
174 HG SER 21 HG SER 21 0.306 16.230 6.618
175 H ILE 22 H ILE 22 0.874 14.508 8.712
176 HA ILE 22 HA ILE 22 2.340 12.785 10.506
177 HB ILE 22 HB ILE 22 0.858 13.486 12.296
178 HG12 ILE 22 2HG1 ILE 22 -1.200 13.763 10.801
179 HG13 ILE 22 1HG1 ILE 22 -1.029 14.950 12.095
180 HG21 ILE 22 1HG2 ILE 22 1.903 15.800 10.699
181 HG22 ILE 22 2HG2 ILE 22 2.777 14.849 11.901
182 HG23 ILE 22 3HG2 ILE 22 1.432 15.876 12.397
183 HD11 ILE 22 3HD1 ILE 22 -0.159 16.522 10.330
184 HD12 ILE 22 1HD1 ILE 22 -1.831 16.007 10.109
185 HD13 ILE 22 2HD1 ILE 22 -0.568 15.289 9.133
186 H ALA 23 H ALA 23 1.034 11.381 11.987
187 HA ALA 23 HA ALA 23 0.148 9.144 10.636
188 HB1 ALA 23 1HB ALA 23 -0.525 8.309 12.804
189 HB2 ALA 23 2HB ALA 23 -0.493 9.955 13.442
190 HB3 ALA 23 3HB ALA 23 1.010 9.184 12.926
191 H LEU 24 H LEU 24 -1.650 11.921 11.525
192 HA LEU 24 HA LEU 24 -4.223 10.691 11.696
193 HB2 LEU 24 2HB LEU 24 -3.535 12.829 12.835
194 HB3 LEU 24 1HB LEU 24 -3.495 13.607 11.275
195 HG LEU 24 HG LEU 24 -6.023 12.458 12.498
196 HD11 LEU 24 1HD1 LEU 24 -4.974 15.282 12.552
197 HD12 LEU 24 2HD1 LEU 24 -5.118 14.198 13.939
198 HD13 LEU 24 3HD1 LEU 24 -6.566 14.764 13.106
199 HD21 LEU 24 3HD2 LEU 24 -7.157 13.914 10.901
200 HD22 LEU 24 1HD2 LEU 24 -6.082 12.792 10.062
201 HD23 LEU 24 2HD2 LEU 24 -5.600 14.476 10.287
202 H THR 25 H THR 25 -2.280 12.222 9.202
203 HA THR 25 HA THR 25 -4.344 12.303 7.262
204 HB THR 25 HB THR 25 -1.361 12.311 6.909
205 HG1 THR 25 HG1 THR 25 -1.448 14.344 7.506
206 HG21 THR 25 3HG2 THR 25 -3.592 13.298 5.091
207 HG22 THR 25 1HG2 THR 25 -2.726 11.776 4.922
208 HG23 THR 25 2HG2 THR 25 -1.853 13.297 4.724
209 H ILE 26 H ILE 26 -1.543 10.235 7.917
210 HA ILE 26 HA ILE 26 -1.694 8.415 5.885
211 HB ILE 26 HB ILE 26 -1.187 7.547 8.746
212 HG12 ILE 26 2HG1 ILE 26 0.667 8.973 6.797
213 HG13 ILE 26 1HG1 ILE 26 0.126 9.556 8.345
214 HG21 ILE 26 1HG2 ILE 26 -0.192 6.519 6.097
215 HG22 ILE 26 2HG2 ILE 26 -1.391 5.787 7.172
216 HG23 ILE 26 3HG2 ILE 26 0.292 5.916 7.696
217 HD11 ILE 26 3HD1 ILE 26 1.938 7.192 7.935
218 HD12 ILE 26 1HD1 ILE 26 1.389 7.815 9.492
219 HD13 ILE 26 2HD1 ILE 26 2.425 8.804 8.463
220 H ALA 27 H ALA 27 -3.565 8.443 8.860
221 HA ALA 27 HA ALA 27 -4.926 6.039 8.541
222 HB1 ALA 27 1HB ALA 27 -5.871 8.561 9.884
223 HB2 ALA 27 2HB ALA 27 -4.826 7.327 10.588
224 HB3 ALA 27 3HB ALA 27 -6.497 6.926 10.164
225 H LYS 28 H LYS 28 -5.740 9.298 7.421
226 HA LYS 28 HA LYS 28 -8.258 8.577 6.297
227 HB2 LYS 28 2HB LYS 28 -6.455 10.926 5.718
228 HB3 LYS 28 1HB LYS 28 -8.087 10.749 5.092
229 HG2 LYS 28 2HG LYS 28 -8.972 10.799 7.359
230 HG3 LYS 28 1HG LYS 28 -7.330 10.935 7.998
231 HD2 LYS 28 2HD LYS 28 -7.029 13.050 6.852
232 HD3 LYS 28 1HD LYS 28 -8.633 12.911 6.128
233 HE2 LYS 28 2HE LYS 28 -9.651 13.000 8.332
234 HE3 LYS 28 1HE LYS 28 -8.058 13.072 9.080
235 HZ1 LYS 28 3HZ LYS 28 -9.057 15.261 8.924
236 HZ2 LYS 28 1HZ LYS 28 -9.194 15.111 7.242
237 HZ3 LYS 28 2HZ LYS 28 -7.667 15.175 7.966
238 H GLU 29 H GLU 29 -5.013 8.942 4.978
239 HA GLU 29 HA GLU 29 -5.356 8.651 2.264
240 HB2 GLU 29 2HB GLU 29 -3.211 7.572 4.074
241 HB3 GLU 29 1HB GLU 29 -3.089 7.587 2.324
242 HG2 GLU 29 2HG GLU 29 -3.523 10.051 3.961
243 HG3 GLU 29 1HG GLU 29 -1.924 9.428 3.552
244 H ILE 30 H ILE 30 -4.861 6.153 4.648
245 HA ILE 30 HA ILE 30 -5.406 4.146 2.582
246 HB ILE 30 HB ILE 30 -4.600 2.446 4.223
247 HG12 ILE 30 2HG1 ILE 30 -3.806 4.911 5.791
248 HG13 ILE 30 1HG1 ILE 30 -4.951 3.688 6.310
249 HG21 ILE 30 1HG2 ILE 30 -2.717 4.669 3.437
250 HG22 ILE 30 2HG2 ILE 30 -3.182 3.287 2.441
251 HG23 ILE 30 3HG2 ILE 30 -2.229 3.040 3.907
252 HD11 ILE 30 3HD1 ILE 30 -1.982 3.337 5.921
253 HD12 ILE 30 1HD1 ILE 30 -3.098 2.047 6.365
254 HD13 ILE 30 2HD1 ILE 30 -2.848 3.407 7.456
255 H GLY 31 H GLY 31 -7.165 5.734 4.722
256 HA2 GLY 31 2HA GLY 31 -9.324 5.474 5.463
257 HA3 GLY 31 1HA GLY 31 -9.427 4.055 4.436
258 H LEU 32 H LEU 32 -7.052 4.359 6.937
259 HA LEU 32 HA LEU 32 -8.458 2.216 8.385
260 HB2 LEU 32 2HB LEU 32 -5.469 2.689 8.414
261 HB3 LEU 32 1HB LEU 32 -6.322 1.376 9.186
262 HG LEU 32 HG LEU 32 -5.738 1.778 6.270
263 HD11 LEU 32 1HD1 LEU 32 -5.213 -0.513 8.125
264 HD12 LEU 32 2HD1 LEU 32 -4.046 0.692 7.604
265 HD13 LEU 32 3HD1 LEU 32 -4.749 -0.421 6.426
266 HD21 LEU 32 3HD2 LEU 32 -8.047 1.179 6.353
267 HD22 LEU 32 1HD2 LEU 32 -7.720 -0.194 7.424
268 HD23 LEU 32 2HD2 LEU 32 -7.099 -0.181 5.762
269 H ASP 33 H ASP 33 -7.295 2.160 10.759
270 HA ASP 33 HA ASP 33 -8.137 4.696 11.849
271 HB2 ASP 33 2HB ASP 33 -8.956 2.587 12.888
272 HB3 ASP 33 1HB ASP 33 -7.299 2.160 13.284
273 H LYS 34 H LYS 34 -6.836 5.671 13.574
274 HA LYS 34 HA LYS 34 -4.233 6.209 12.534
275 HB2 LYS 34 2HB LYS 34 -4.088 8.035 14.002
276 HB3 LYS 34 1HB LYS 34 -5.798 7.923 13.656
277 HG2 LYS 34 2HG LYS 34 -4.439 6.955 16.189
278 HG3 LYS 34 1HG LYS 34 -5.328 8.458 16.016
279 HD2 LYS 34 2HD LYS 34 -6.525 5.705 15.670
280 HD3 LYS 34 1HD LYS 34 -6.577 6.625 17.167
281 HE2 LYS 34 2HE LYS 34 -7.854 8.383 16.030
282 HE3 LYS 34 1HE LYS 34 -7.782 7.460 14.529
283 HZ1 LYS 34 3HZ LYS 34 -9.050 6.457 17.031
284 HZ2 LYS 34 1HZ LYS 34 -9.003 5.695 15.540
285 HZ3 LYS 34 2HZ LYS 34 -9.905 7.088 15.695
286 H SER 35 H SER 35 -5.395 3.882 14.774
287 HA SER 35 HA SER 35 -3.008 3.867 16.402
288 HB2 SER 35 2HB SER 35 -5.266 1.850 16.295
289 HB3 SER 35 1HB SER 35 -4.151 2.148 17.635
290 HG SER 35 HG SER 35 -6.320 3.620 16.712
291 H THR 36 H THR 36 -4.575 2.238 13.730
292 HA THR 36 HA THR 36 -2.925 0.105 13.354
293 HB THR 36 HB THR 36 -4.186 1.720 11.174
294 HG1 THR 36 HG1 THR 36 -5.692 0.109 12.996
295 HG21 THR 36 3HG2 THR 36 -3.165 -0.489 10.826
296 HG22 THR 36 1HG2 THR 36 -4.930 -0.455 10.523
297 HG23 THR 36 2HG2 THR 36 -4.308 -1.082 12.065
298 H VAL 37 H VAL 37 -2.941 3.429 12.019
299 HA VAL 37 HA VAL 37 -0.634 3.387 10.497
300 HB VAL 37 HB VAL 37 -1.920 5.550 12.110
301 HG11 VAL 37 1HG1 VAL 37 0.093 5.790 9.874
302 HG12 VAL 37 2HG1 VAL 37 0.342 6.158 11.586
303 HG13 VAL 37 3HG1 VAL 37 -0.767 7.136 10.638
304 HG21 VAL 37 3HG2 VAL 37 -2.918 6.229 9.959
305 HG22 VAL 37 1HG2 VAL 37 -3.411 4.614 10.470
306 HG23 VAL 37 2HG2 VAL 37 -2.191 4.808 9.213
307 H ASN 38 H ASN 38 -1.086 4.322 13.889
308 HA ASN 38 HA ASN 38 1.503 5.001 14.508
309 HB2 ASN 38 2HB ASN 38 -0.746 4.000 16.168
310 HB3 ASN 38 1HB ASN 38 0.864 3.941 16.873
311 HD21 ASN 38 2HD2 ASN 38 -1.027 7.468 16.382
312 HD22 ASN 38 1HD2 ASN 38 -1.636 6.011 15.653
313 H ARG 39 H ARG 39 0.088 1.788 14.662
314 HA ARG 39 HA ARG 39 2.455 0.608 15.749
315 HB2 ARG 39 2HB ARG 39 1.679 -1.603 15.188
316 HB3 ARG 39 1HB ARG 39 0.286 -0.666 15.727
317 HG2 ARG 39 2HG ARG 39 -0.614 -0.583 13.581
318 HG3 ARG 39 1HG ARG 39 0.926 -0.945 12.829
319 HD2 ARG 39 2HD ARG 39 -0.697 -2.899 14.464
320 HD3 ARG 39 1HD ARG 39 -0.627 -2.857 12.703
321 HE ARG 39 HE ARG 39 1.315 -3.926 14.517
322 HH11 ARG 39 1HH1 ARG 39 0.938 -2.648 11.179
323 HH12 ARG 39 2HH1 ARG 39 2.344 -3.417 10.608
324 HH21 ARG 39 2HH2 ARG 39 3.568 -4.789 11.886
325 HH22 ARG 39 1HH2 ARG 39 3.252 -5.066 13.547
326 H HIS 40 H HIS 40 1.453 1.173 12.485
327 HA HIS 40 HA HIS 40 3.526 -0.359 11.300
328 HB2 HIS 40 2HB HIS 40 1.691 1.744 10.143
329 HB3 HIS 40 1HB HIS 40 2.953 1.001 9.177
330 HD1 HIS 40 HD1 HIS 40 2.387 -1.349 8.165
331 HD2 HIS 40 HD2 HIS 40 -0.388 -0.043 10.959
332 HE1 HIS 40 HE1 HIS 40 0.454 -2.917 8.000
333 H LEU 41 H LEU 41 3.238 3.002 12.177
334 HA LEU 41 HA LEU 41 5.693 3.663 10.849
335 HB2 LEU 41 2HB LEU 41 5.445 5.888 11.840
336 HB3 LEU 41 1HB LEU 41 4.051 5.397 10.896
337 HG LEU 41 HG LEU 41 3.099 4.738 13.253
338 HD11 LEU 41 1HD1 LEU 41 5.089 6.848 14.002
339 HD12 LEU 41 2HD1 LEU 41 5.089 5.166 14.538
340 HD13 LEU 41 3HD1 LEU 41 3.785 6.249 15.029
341 HD21 LEU 41 3HD2 LEU 41 3.293 7.607 12.419
342 HD22 LEU 41 1HD2 LEU 41 2.042 6.845 13.416
343 HD23 LEU 41 2HD2 LEU 41 2.233 6.377 11.713
344 H TYR 42 H TYR 42 4.749 2.698 14.086
345 HA TYR 42 HA TYR 42 6.930 3.469 15.491
346 HB2 TYR 42 2HB TYR 42 4.839 1.447 15.468
347 HB3 TYR 42 1HB TYR 42 6.117 1.201 16.579
348 HD1 TYR 42 HD1 TYR 42 3.486 1.294 17.565
349 HD2 TYR 42 HD2 TYR 42 5.934 4.631 16.626
350 HE1 TYR 42 HE1 TYR 42 2.117 2.710 19.051
351 HE2 TYR 42 HE2 TYR 42 4.589 6.050 18.103
352 HH TYR 42 HH TYR 42 2.221 6.021 18.949
353 H ASN 43 H ASN 43 6.179 0.681 13.516
354 HA ASN 43 HA ASN 43 8.460 -0.903 14.127
355 HB2 ASN 43 2HB ASN 43 6.850 -0.851 11.560
356 HB3 ASN 43 1HB ASN 43 7.986 -2.111 12.015
357 HD21 ASN 43 2HD2 ASN 43 4.397 -2.887 12.838
358 HD22 ASN 43 1HD2 ASN 43 5.132 -2.226 11.431
359 H LEU 44 H LEU 44 7.767 1.237 11.432
360 HA LEU 44 HA LEU 44 10.291 0.990 10.206
361 HB2 LEU 44 2HB LEU 44 8.400 3.318 9.979
362 HB3 LEU 44 1HB LEU 44 9.619 2.827 8.860
363 HG LEU 44 HG LEU 44 7.190 1.151 9.438
364 HD11 LEU 44 1HD1 LEU 44 6.396 1.953 7.243
365 HD12 LEU 44 2HD1 LEU 44 7.770 3.051 7.165
366 HD13 LEU 44 3HD1 LEU 44 6.543 3.264 8.412
367 HD21 LEU 44 3HD2 LEU 44 7.875 -0.006 7.379
368 HD22 LEU 44 1HD2 LEU 44 9.113 -0.113 8.632
369 HD23 LEU 44 2HD2 LEU 44 9.302 1.020 7.292
370 H GLN 45 H GLN 45 9.073 3.059 12.753
371 HA GLN 45 HA GLN 45 10.900 5.179 12.610
372 HB2 GLN 45 2HB GLN 45 8.759 5.020 14.036
373 HB3 GLN 45 1HB GLN 45 9.727 4.089 15.110
374 HG2 GLN 45 2HG GLN 45 11.087 5.766 15.787
375 HG3 GLN 45 1HG GLN 45 10.849 6.703 14.316
376 HE21 GLN 45 2HE2 GLN 45 8.137 8.438 15.459
377 HE22 GLN 45 1HE2 GLN 45 9.119 7.980 14.120
378 H ARG 46 H ARG 46 10.842 2.366 14.543
379 HA ARG 46 HA ARG 46 13.340 2.854 15.886
380 HB2 ARG 46 2HB ARG 46 11.623 0.405 15.650
381 HB3 ARG 46 1HB ARG 46 13.043 0.519 16.683
382 HG2 ARG 46 2HG ARG 46 12.049 2.145 18.053
383 HG3 ARG 46 1HG ARG 46 10.755 2.440 16.887
384 HD2 ARG 46 2HD ARG 46 11.230 -0.205 18.094
385 HD3 ARG 46 1HD ARG 46 10.191 0.992 18.921
386 HE ARG 46 HE ARG 46 9.259 0.832 16.371
387 HH11 ARG 46 1HH1 ARG 46 9.783 -1.576 18.933
388 HH12 ARG 46 2HH1 ARG 46 8.534 -2.625 18.444
389 HH21 ARG 46 2HH2 ARG 46 7.201 -2.071 16.501
390 HH22 ARG 46 1HH2 ARG 46 7.503 -0.643 15.682
391 H SER 47 H SER 47 12.343 1.294 13.091
392 HA SER 47 HA SER 47 14.790 -0.096 12.595
393 HB2 SER 47 2HB SER 47 12.635 -0.964 11.757
394 HB3 SER 47 1HB SER 47 12.461 0.461 10.740
395 HG SER 47 HG SER 47 14.669 -0.311 9.951
396 H ASN 48 H ASN 48 13.939 3.271 12.375
397 HA ASN 48 HA ASN 48 14.867 5.020 11.469
398 HB2 ASN 48 2HB ASN 48 17.080 3.044 11.081
399 HB3 ASN 48 1HB ASN 48 17.287 4.719 10.542
400 HD21 ASN 48 2HD2 ASN 48 17.517 3.694 14.452
401 HD22 ASN 48 1HD2 ASN 48 17.028 2.551 13.246
402 H GLN 49 H GLN 49 13.084 3.512 10.037
403 HA GLN 49 HA GLN 49 13.989 3.709 7.260
404 HB2 GLN 49 2HB GLN 49 13.037 1.539 8.168
405 HB3 GLN 49 1HB GLN 49 11.558 2.378 8.533
406 HG2 GLN 49 2HG GLN 49 12.682 1.797 5.785
407 HG3 GLN 49 1HG GLN 49 11.322 0.986 6.550
408 HE21 GLN 49 2HE2 GLN 49 10.825 4.421 4.631
409 HE22 GLN 49 1HE2 GLN 49 12.356 3.591 4.706
410 H VAL 50 H VAL 50 11.496 4.479 9.628
411 HA VAL 50 HA VAL 50 10.839 6.876 8.103
412 HB VAL 50 HB VAL 50 9.083 4.884 8.252
413 HG11 VAL 50 1HG1 VAL 50 8.476 6.496 10.758
414 HG12 VAL 50 2HG1 VAL 50 9.197 4.922 10.763
415 HG13 VAL 50 3HG1 VAL 50 7.510 5.126 10.177
416 HG21 VAL 50 3HG2 VAL 50 8.361 7.787 8.592
417 HG22 VAL 50 1HG2 VAL 50 7.236 6.530 8.073
418 HG23 VAL 50 2HG2 VAL 50 8.640 6.922 7.081
419 H PHE 51 H PHE 51 10.470 8.502 9.370
420 HA PHE 51 HA PHE 51 10.321 8.568 12.156
421 HB2 PHE 51 2HB PHE 51 12.624 9.836 12.498
422 HB3 PHE 51 1HB PHE 51 12.593 8.076 12.475
423 HD1 PHE 51 HD1 PHE 51 13.972 6.914 11.126
424 HD2 PHE 51 HD2 PHE 51 13.228 10.998 10.225
425 HE1 PHE 51 HE1 PHE 51 15.653 6.795 9.399
426 HE2 PHE 51 HE2 PHE 51 14.937 10.917 8.453
427 HZ PHE 51 HZ PHE 51 16.166 8.814 8.023
428 H ASN 52 H ASN 52 11.033 11.108 12.805
429 HA ASN 52 HA ASN 52 9.476 12.623 10.901
430 HB2 ASN 52 2HB ASN 52 11.038 13.724 13.213
431 HB3 ASN 52 1HB ASN 52 9.812 14.542 12.301
432 HD21 ASN 52 2HD2 ASN 52 7.059 13.190 13.937
433 HD22 ASN 52 1HD2 ASN 52 7.611 14.113 12.595
434 H SER 53 H SER 53 10.314 14.148 9.507
435 HA SER 53 HA SER 53 13.170 13.868 9.244
436 HB2 SER 53 2HB SER 53 12.133 12.205 7.812
437 HB3 SER 53 1HB SER 53 11.134 13.442 7.059
438 HG SER 53 HG SER 53 13.007 12.810 5.879
439 H ASN 54 H ASN 54 14.051 15.526 9.120
440 HA ASN 54 HA ASN 54 15.003 17.556 8.644
441 HB2 ASN 54 2HB ASN 54 15.760 17.401 6.512
442 HB3 ASN 54 1HB ASN 54 14.970 15.836 6.817
443 HD21 ASN 54 2HD2 ASN 54 12.492 16.190 4.403
444 HD22 ASN 54 1HD2 ASN 54 13.095 15.263 5.731
445 H GLU 55 H GLU 55 11.623 17.713 7.730
446 HA GLU 55 HA GLU 55 12.086 20.368 6.794
447 HB2 GLU 55 2HB GLU 55 9.615 20.323 6.160
448 HB3 GLU 55 1HB GLU 55 10.698 19.264 5.280
449 HG2 GLU 55 2HG GLU 55 9.975 17.425 6.778
450 HG3 GLU 55 1HG GLU 55 8.733 18.509 7.424
451 H LYS 56 H LYS 56 9.963 21.802 7.423
452 HA LYS 56 HA LYS 56 10.790 22.243 10.088
453 HB2 LYS 56 2HB LYS 56 9.263 24.016 8.207
454 HB3 LYS 56 1HB LYS 56 9.443 24.425 9.913
455 HG2 LYS 56 2HG LYS 56 11.179 25.544 8.689
456 HG3 LYS 56 1HG LYS 56 11.918 24.263 9.650
457 HD2 LYS 56 2HD LYS 56 11.423 23.017 7.230
458 HD3 LYS 56 1HD LYS 56 11.850 24.655 6.737
459 HE2 LYS 56 2HE LYS 56 13.871 23.365 6.769
460 HE3 LYS 56 1HE LYS 56 13.922 24.443 8.159
461 HZ1 LYS 56 3HZ LYS 56 13.097 22.459 9.522
462 HZ2 LYS 56 1HZ LYS 56 14.644 22.280 8.864
463 HZ3 LYS 56 2HZ LYS 56 13.372 21.506 8.158
464 HA PRO 57 HA PRO 57 6.615 20.842 11.359
465 HB2 PRO 57 2HB PRO 57 5.269 19.560 9.124
466 HB3 PRO 57 1HB PRO 57 4.664 20.926 10.079
467 HG2 PRO 57 2HG PRO 57 5.333 21.136 7.456
468 HG3 PRO 57 1HG PRO 57 5.403 22.484 8.609
469 HD2 PRO 57 2HD PRO 57 7.622 20.771 7.594
470 HD3 PRO 57 1HD PRO 57 7.586 22.525 7.890
471 HA PRO 58 HA PRO 58 9.451 17.247 11.152
472 HB2 PRO 58 2HB PRO 58 7.719 16.400 13.441
473 HB3 PRO 58 1HB PRO 58 9.493 16.463 13.348
474 HG2 PRO 58 2HG PRO 58 8.213 18.289 14.721
475 HG3 PRO 58 1HG PRO 58 9.590 18.734 13.693
476 HD2 PRO 58 2HD PRO 58 6.677 19.143 13.198
477 HD3 PRO 58 1HD PRO 58 8.055 20.198 12.818
478 H VAL 59 H VAL 59 8.891 16.119 9.349
479 HA VAL 59 HA VAL 59 6.170 15.169 8.998
480 HB VAL 59 HB VAL 59 7.515 16.199 7.178
481 HG11 VAL 59 1HG1 VAL 59 9.093 14.800 5.942
482 HG12 VAL 59 2HG1 VAL 59 9.038 13.643 7.283
483 HG13 VAL 59 3HG1 VAL 59 9.651 15.269 7.549
484 HG21 VAL 59 3HG2 VAL 59 5.573 15.011 6.463
485 HG22 VAL 59 1HG2 VAL 59 6.377 13.455 6.785
486 HG23 VAL 59 2HG2 VAL 59 6.947 14.425 5.480
487 H TRP 60 H TRP 60 5.368 13.218 9.031
488 HA TRP 60 HA TRP 60 7.224 11.120 9.699
489 HB2 TRP 60 2HB TRP 60 4.188 11.011 9.453
490 HB3 TRP 60 1HB TRP 60 5.231 9.745 10.104
491 HD1 TRP 60 HD1 TRP 60 4.285 13.352 10.876
492 HE1 TRP 60 HE1 TRP 60 4.267 13.715 13.450
493 HE3 TRP 60 HE3 TRP 60 5.935 8.764 12.315
494 HZ2 TRP 60 HZ2 TRP 60 4.895 12.223 15.755
495 HZ3 TRP 60 HZ3 TRP 60 6.221 8.315 14.727
496 HH2 TRP 60 HH2 TRP 60 5.709 10.001 16.396
497 H ASP 61 H ASP 61 8.234 10.751 8.079
498 HA ASP 61 HA ASP 61 7.214 9.780 5.598
499 HB2 ASP 61 2HB ASP 61 7.124 12.294 5.331
500 HB3 ASP 61 1HB ASP 61 8.829 12.363 5.718
501 H LEU 62 H LEU 62 9.499 9.928 4.334
502 HA LEU 62 HA LEU 62 11.399 8.746 6.203
503 HB2 LEU 62 2HB LEU 62 11.596 6.746 4.683
504 HB3 LEU 62 1HB LEU 62 10.120 7.060 5.602
505 HG LEU 62 HG LEU 62 8.908 7.745 3.636
506 HD11 LEU 62 1HD1 LEU 62 9.776 7.677 1.422
507 HD12 LEU 62 2HD1 LEU 62 11.322 7.099 2.010
508 HD13 LEU 62 3HD1 LEU 62 10.792 8.743 2.402
509 HD21 LEU 62 3HD2 LEU 62 10.339 5.160 3.094
510 HD22 LEU 62 1HD2 LEU 62 8.788 5.653 2.426
511 HD23 LEU 62 2HD2 LEU 62 8.946 5.355 4.160
512 H MET 63 H MET 63 13.233 7.741 4.402
513 HA MET 63 HA MET 63 14.204 10.106 2.930
514 HB2 MET 63 2HB MET 63 15.178 9.873 5.279
515 HB3 MET 63 1HB MET 63 15.828 8.329 4.738
516 HG2 MET 63 2HG MET 63 17.224 9.441 3.095
517 HG3 MET 63 1HG MET 63 16.531 11.004 3.523
518 HE1 MET 63 3HE MET 63 16.948 12.211 5.869
519 HE2 MET 63 1HE MET 63 17.917 11.515 7.169
520 HE3 MET 63 2HE MET 63 16.379 10.779 6.730
521 H GLU 64 H GLU 64 12.883 7.759 2.047
522 HA GLU 64 HA GLU 64 15.005 6.218 0.746
523 HB2 GLU 64 2HB GLU 64 13.984 5.262 2.868
524 HB3 GLU 64 1HB GLU 64 12.487 5.107 1.975
525 HG2 GLU 64 2HG GLU 64 13.737 3.644 0.354
526 HG3 GLU 64 1HG GLU 64 15.082 3.666 1.502
Start of MODEL 2
1 HA MET 1 HA MET 1 12.452 -11.932 1.719
2 HB2 MET 1 2HB MET 1 12.746 -10.519 4.396
3 HB3 MET 1 1HB MET 1 12.175 -12.165 4.194
4 HG2 MET 1 2HG MET 1 14.345 -12.840 3.347
5 HG3 MET 1 1HG MET 1 14.920 -11.174 3.445
6 HE1 MET 1 2HE MET 1 17.028 -12.026 4.873
7 HE2 MET 1 3HE MET 1 16.431 -13.684 4.803
8 HE3 MET 1 1HE MET 1 16.872 -12.969 6.355
9 H SER 2 H SER 2 10.257 -12.440 2.959
10 HA SER 2 HA SER 2 8.493 -10.203 2.369
11 HB2 SER 2 2HB SER 2 8.091 -12.380 1.153
12 HB3 SER 2 1HB SER 2 7.850 -13.158 2.717
13 HG SER 2 HG SER 2 5.845 -12.618 2.225
14 H ALA 3 H ALA 3 7.499 -9.260 4.066
15 HA ALA 3 HA ALA 3 7.077 -10.600 6.540
16 HB1 ALA 3 1HB ALA 3 9.065 -8.318 6.419
17 HB2 ALA 3 2HB ALA 3 9.444 -9.994 6.814
18 HB3 ALA 3 3HB ALA 3 8.422 -9.043 7.892
19 H GLU 4 H GLU 4 6.001 -9.067 8.055
20 HA GLU 4 HA GLU 4 3.958 -7.705 6.705
21 HB2 GLU 4 2HB GLU 4 3.647 -8.824 8.865
22 HB3 GLU 4 1HB GLU 4 4.722 -7.668 9.629
23 HG2 GLU 4 2HG GLU 4 3.166 -5.880 9.180
24 HG3 GLU 4 1HG GLU 4 2.108 -6.990 8.317
25 H THR 5 H THR 5 7.040 -6.639 7.923
26 HA THR 5 HA THR 5 6.523 -3.897 8.157
27 HB THR 5 HB THR 5 9.091 -3.834 7.787
28 HG1 THR 5 HG1 THR 5 10.075 -5.786 7.752
29 HG21 THR 5 3HG2 THR 5 8.002 -3.718 10.003
30 HG22 THR 5 1HG2 THR 5 9.466 -4.700 10.067
31 HG23 THR 5 2HG2 THR 5 7.883 -5.476 10.030
32 H GLN 6 H GLN 6 6.953 -5.927 5.420
33 HA GLN 6 HA GLN 6 7.819 -3.888 3.597
34 HB2 GLN 6 2HB GLN 6 8.118 -6.502 3.490
35 HB3 GLN 6 1HB GLN 6 6.500 -6.501 2.823
36 HG2 GLN 6 2HG GLN 6 8.728 -4.905 1.591
37 HG3 GLN 6 1HG GLN 6 8.477 -6.600 1.211
38 HE21 GLN 6 2HE2 GLN 6 6.820 -4.213 -1.193
39 HE22 GLN 6 1HE2 GLN 6 8.367 -4.220 -0.437
40 H MET 7 H MET 7 4.864 -5.109 4.873
41 HA MET 7 HA MET 7 3.067 -3.929 2.965
42 HB2 MET 7 2HB MET 7 2.604 -4.931 5.784
43 HB3 MET 7 1HB MET 7 1.327 -4.358 4.728
44 HG2 MET 7 2HG MET 7 3.114 -6.718 4.162
45 HG3 MET 7 1HG MET 7 1.497 -6.820 4.851
46 HE1 MET 7 3HE MET 7 -0.776 -5.596 1.918
47 HE2 MET 7 1HE MET 7 -0.129 -4.610 3.229
48 HE3 MET 7 2HE MET 7 -0.721 -6.237 3.559
49 H GLU 8 H GLU 8 4.280 -3.122 6.148
50 HA GLU 8 HA GLU 8 2.973 -0.752 6.664
51 HB2 GLU 8 2HB GLU 8 5.883 -1.325 7.230
52 HB3 GLU 8 1HB GLU 8 4.868 -0.188 8.107
53 HG2 GLU 8 2HG GLU 8 4.553 -3.189 8.069
54 HG3 GLU 8 1HG GLU 8 5.324 -2.260 9.351
55 H ARG 9 H ARG 9 5.884 -1.292 4.821
56 HA ARG 9 HA ARG 9 6.353 1.460 4.150
57 HB2 ARG 9 2HB ARG 9 8.311 0.292 3.741
58 HB3 ARG 9 1HB ARG 9 7.461 -1.183 3.328
59 HG2 ARG 9 2HG ARG 9 8.608 -0.533 1.364
60 HG3 ARG 9 1HG ARG 9 6.928 -0.108 1.092
61 HD2 ARG 9 2HD ARG 9 8.133 1.720 0.274
62 HD3 ARG 9 1HD ARG 9 7.606 2.244 1.872
63 HE ARG 9 HE ARG 9 9.998 1.254 2.433
64 HH11 ARG 9 1HH1 ARG 9 9.018 3.481 -0.248
65 HH12 ARG 9 2HH1 ARG 9 10.578 4.184 -0.271
66 HH21 ARG 9 2HH2 ARG 9 12.238 3.555 1.016
67 HH22 ARG 9 1HH2 ARG 9 12.121 2.282 2.198
68 H LYS 10 H LYS 10 4.535 -1.058 2.513
69 HA LYS 10 HA LYS 10 4.309 0.499 0.136
70 HB2 LYS 10 2HB LYS 10 2.693 -1.854 1.066
71 HB3 LYS 10 1HB LYS 10 2.448 -1.073 -0.493
72 HG2 LYS 10 2HG LYS 10 4.709 -1.595 -1.158
73 HG3 LYS 10 1HG LYS 10 5.044 -2.280 0.429
74 HD2 LYS 10 2HD LYS 10 3.049 -3.335 -1.580
75 HD3 LYS 10 1HD LYS 10 4.627 -4.037 -1.215
76 HE2 LYS 10 2HE LYS 10 3.819 -4.179 1.182
77 HE3 LYS 10 1HE LYS 10 2.194 -3.887 0.549
78 HZ1 LYS 10 3HZ LYS 10 2.582 -6.216 0.790
79 HZ2 LYS 10 1HZ LYS 10 4.032 -6.101 -0.068
80 HZ3 LYS 10 2HZ LYS 10 2.550 -5.890 -0.882
81 H ILE 11 H ILE 11 2.428 0.466 3.062
82 HA ILE 11 HA ILE 11 0.295 1.853 1.780
83 HB ILE 11 HB ILE 11 -0.639 2.042 4.020
84 HG12 ILE 11 2HG1 ILE 11 1.942 0.704 4.817
85 HG13 ILE 11 1HG1 ILE 11 1.269 2.209 5.421
86 HG21 ILE 11 1HG2 ILE 11 -0.989 -0.413 4.299
87 HG22 ILE 11 2HG2 ILE 11 0.418 -0.640 3.244
88 HG23 ILE 11 3HG2 ILE 11 -1.057 0.090 2.590
89 HD11 ILE 11 3HD1 ILE 11 0.236 -0.534 5.853
90 HD12 ILE 11 1HD1 ILE 11 -0.532 0.932 6.485
91 HD13 ILE 11 2HD1 ILE 11 1.089 0.467 7.036
92 H ILE 12 H ILE 12 3.029 2.685 3.879
93 HA ILE 12 HA ILE 12 2.129 5.401 3.942
94 HB ILE 12 HB ILE 12 3.910 5.917 5.295
95 HG12 ILE 12 2HG1 ILE 12 5.964 4.115 5.180
96 HG13 ILE 12 1HG1 ILE 12 5.435 4.207 3.523
97 HG21 ILE 12 1HG2 ILE 12 3.665 2.996 5.768
98 HG22 ILE 12 2HG2 ILE 12 2.682 4.287 6.456
99 HG23 ILE 12 3HG2 ILE 12 4.393 4.165 6.869
100 HD11 ILE 12 3HD1 ILE 12 7.133 5.966 3.790
101 HD12 ILE 12 1HD1 ILE 12 6.206 6.682 5.114
102 HD13 ILE 12 2HD1 ILE 12 5.555 6.689 3.505
103 H ASP 13 H ASP 13 4.097 3.456 1.860
104 HA ASP 13 HA ASP 13 5.540 5.490 0.569
105 HB2 ASP 13 2HB ASP 13 5.754 2.890 0.353
106 HB3 ASP 13 1HB ASP 13 4.521 3.061 -0.893
107 H PHE 14 H PHE 14 2.477 3.953 -0.128
108 HA PHE 14 HA PHE 14 1.777 5.534 -2.270
109 HB2 PHE 14 2HB PHE 14 0.407 3.651 -1.944
110 HB3 PHE 14 1HB PHE 14 0.213 3.981 -0.234
111 HD1 PHE 14 HD1 PHE 14 -1.492 5.366 0.558
112 HD2 PHE 14 HD2 PHE 14 -0.953 4.834 -3.609
113 HE1 PHE 14 HE1 PHE 14 -3.717 6.332 0.177
114 HE2 PHE 14 HE2 PHE 14 -3.180 5.813 -4.035
115 HZ PHE 14 HZ PHE 14 -4.572 6.564 -2.140
116 H LEU 15 H LEU 15 1.160 6.105 1.180
117 HA LEU 15 HA LEU 15 -0.077 8.530 0.887
118 HB2 LEU 15 2HB LEU 15 -0.506 7.688 2.786
119 HB3 LEU 15 1HB LEU 15 0.945 6.730 2.916
120 HG LEU 15 HG LEU 15 0.518 8.149 4.772
121 HD11 LEU 15 1HD1 LEU 15 3.003 9.014 3.306
122 HD12 LEU 15 2HD1 LEU 15 2.838 7.652 4.413
123 HD13 LEU 15 3HD1 LEU 15 2.714 9.303 5.023
124 HD21 LEU 15 3HD2 LEU 15 0.819 10.371 2.865
125 HD22 LEU 15 1HD2 LEU 15 0.813 10.642 4.617
126 HD23 LEU 15 2HD2 LEU 15 -0.633 9.980 3.823
127 H ARG 16 H ARG 16 3.165 7.719 0.421
128 HA ARG 16 HA ARG 16 4.193 10.271 1.292
129 HB2 ARG 16 2HB ARG 16 6.293 9.233 1.271
130 HB3 ARG 16 1HB ARG 16 5.215 7.832 1.167
131 HG2 ARG 16 2HG ARG 16 5.536 7.556 -1.125
132 HG3 ARG 16 1HG ARG 16 6.423 9.074 -1.261
133 HD2 ARG 16 2HD ARG 16 8.255 8.235 -0.088
134 HD3 ARG 16 1HD ARG 16 7.333 6.862 0.533
135 HE ARG 16 HE ARG 16 7.238 6.166 -1.898
136 HH11 ARG 16 1HH1 ARG 16 10.025 8.126 -0.862
137 HH12 ARG 16 2HH1 ARG 16 11.150 7.077 -1.622
138 HH21 ARG 16 2HH2 ARG 16 10.487 5.289 -2.836
139 HH22 ARG 16 1HH2 ARG 16 8.805 4.857 -2.919
140 H GLN 17 H GLN 17 3.031 8.673 -1.467
141 HA GLN 17 HA GLN 17 4.023 10.756 -3.174
142 HB2 GLN 17 2HB GLN 17 2.624 8.183 -3.725
143 HB3 GLN 17 1HB GLN 17 2.576 9.457 -4.941
144 HG2 GLN 17 2HG GLN 17 4.574 8.597 -5.657
145 HG3 GLN 17 1HG GLN 17 5.126 9.489 -4.230
146 HE21 GLN 17 2HE2 GLN 17 4.845 5.634 -3.322
147 HE22 GLN 17 1HE2 GLN 17 3.423 6.443 -3.919
148 H ASN 18 H ASN 18 1.240 10.067 -1.376
149 HA ASN 18 HA ASN 18 -0.348 12.084 -2.712
150 HB2 ASN 18 2HB ASN 18 -0.654 10.945 0.079
151 HB3 ASN 18 1HB ASN 18 -1.882 11.813 -0.835
152 HD21 ASN 18 2HD2 ASN 18 -2.129 8.061 -0.967
153 HD22 ASN 18 1HD2 ASN 18 -1.765 9.152 0.336
154 H GLY 19 H GLY 19 1.658 11.752 0.184
155 HA2 GLY 19 2HA GLY 19 3.003 13.946 0.313
156 HA3 GLY 19 1HA GLY 19 1.416 14.534 0.814
157 H LYS 20 H LYS 20 4.051 12.208 1.632
158 HA LYS 20 HA LYS 20 3.507 11.125 3.933
159 HB2 LYS 20 2HB LYS 20 5.810 11.463 4.515
160 HB3 LYS 20 1HB LYS 20 5.709 11.280 2.766
161 HG2 LYS 20 2HG LYS 20 5.520 13.987 3.849
162 HG3 LYS 20 1HG LYS 20 7.119 13.230 3.938
163 HD2 LYS 20 2HD LYS 20 7.094 13.059 1.499
164 HD3 LYS 20 1HD LYS 20 5.451 13.720 1.462
165 HE2 LYS 20 2HE LYS 20 7.329 15.396 1.021
166 HE3 LYS 20 1HE LYS 20 6.166 15.834 2.270
167 HZ1 LYS 20 3HZ LYS 20 8.841 14.599 2.855
168 HZ2 LYS 20 1HZ LYS 20 7.716 15.137 3.943
169 HZ3 LYS 20 2HZ LYS 20 8.467 16.272 3.077
170 H SER 21 H SER 21 3.693 11.837 6.268
171 HA SER 21 HA SER 21 3.538 14.510 7.030
172 HB2 SER 21 2HB SER 21 1.565 14.548 5.479
173 HB3 SER 21 1HB SER 21 0.796 13.314 6.465
174 HG SER 21 HG SER 21 1.062 16.007 6.834
175 H ILE 22 H ILE 22 1.440 14.291 8.858
176 HA ILE 22 HA ILE 22 2.692 12.640 10.866
177 HB ILE 22 HB ILE 22 1.060 13.658 12.427
178 HG12 ILE 22 2HG1 ILE 22 0.128 15.232 10.000
179 HG13 ILE 22 1HG1 ILE 22 -0.795 13.964 10.795
180 HG21 ILE 22 1HG2 ILE 22 3.217 14.717 12.074
181 HG22 ILE 22 2HG2 ILE 22 1.975 15.945 12.325
182 HG23 ILE 22 3HG2 ILE 22 2.574 15.617 10.700
183 HD11 ILE 22 3HD1 ILE 22 -0.905 15.324 12.823
184 HD12 ILE 22 1HD1 ILE 22 -1.579 16.174 11.434
185 HD13 ILE 22 2HD1 ILE 22 0.031 16.588 12.025
186 H ALA 23 H ALA 23 1.019 11.645 12.440
187 HA ALA 23 HA ALA 23 0.161 9.283 11.329
188 HB1 ALA 23 1HB ALA 23 -0.726 10.519 13.898
189 HB2 ALA 23 2HB ALA 23 0.764 9.597 13.666
190 HB3 ALA 23 3HB ALA 23 -0.809 8.802 13.497
191 H LEU 24 H LEU 24 -1.587 12.251 11.631
192 HA LEU 24 HA LEU 24 -4.209 11.090 11.639
193 HB2 LEU 24 2HB LEU 24 -3.639 13.309 12.664
194 HB3 LEU 24 1HB LEU 24 -3.352 13.944 11.068
195 HG LEU 24 HG LEU 24 -5.509 14.654 12.130
196 HD11 LEU 24 1HD1 LEU 24 -5.291 14.823 9.732
197 HD12 LEU 24 2HD1 LEU 24 -6.936 14.365 10.171
198 HD13 LEU 24 3HD1 LEU 24 -5.820 13.151 9.545
199 HD21 LEU 24 3HD2 LEU 24 -6.300 11.776 11.711
200 HD22 LEU 24 1HD2 LEU 24 -7.383 13.083 12.188
201 HD23 LEU 24 2HD2 LEU 24 -6.079 12.581 13.265
202 H THR 25 H THR 25 -2.085 12.597 9.254
203 HA THR 25 HA THR 25 -3.885 12.610 7.131
204 HB THR 25 HB THR 25 -0.914 12.376 7.030
205 HG1 THR 25 HG1 THR 25 -0.827 14.475 7.568
206 HG21 THR 25 3HG2 THR 25 -1.169 13.450 4.856
207 HG22 THR 25 1HG2 THR 25 -2.917 13.667 5.159
208 HG23 THR 25 2HG2 THR 25 -2.269 12.057 4.999
209 H ILE 26 H ILE 26 -1.256 10.414 7.991
210 HA ILE 26 HA ILE 26 -1.381 8.679 5.869
211 HB ILE 26 HB ILE 26 -0.849 7.758 8.720
212 HG12 ILE 26 2HG1 ILE 26 1.073 8.925 6.661
213 HG13 ILE 26 1HG1 ILE 26 0.538 9.742 8.118
214 HG21 ILE 26 1HG2 ILE 26 -1.186 5.976 7.195
215 HG22 ILE 26 2HG2 ILE 26 0.548 6.059 7.564
216 HG23 ILE 26 3HG2 ILE 26 -0.083 6.683 6.024
217 HD11 ILE 26 3HD1 ILE 26 1.662 8.057 9.478
218 HD12 ILE 26 1HD1 ILE 26 2.780 8.847 8.365
219 HD13 ILE 26 2HD1 ILE 26 2.184 7.224 8.013
220 H ALA 27 H ALA 27 -3.283 8.631 8.825
221 HA ALA 27 HA ALA 27 -4.718 6.282 8.403
222 HB1 ALA 27 1HB ALA 27 -5.610 8.813 9.781
223 HB2 ALA 27 2HB ALA 27 -4.669 7.511 10.508
224 HB3 ALA 27 3HB ALA 27 -6.329 7.210 9.984
225 H LYS 28 H LYS 28 -5.423 9.657 7.364
226 HA LYS 28 HA LYS 28 -7.881 9.168 6.202
227 HB2 LYS 28 2HB LYS 28 -6.251 11.276 6.841
228 HB3 LYS 28 1HB LYS 28 -6.191 11.266 5.092
229 HG2 LYS 28 2HG LYS 28 -8.595 11.260 6.763
230 HG3 LYS 28 1HG LYS 28 -7.889 12.731 6.091
231 HD2 LYS 28 2HD LYS 28 -9.000 10.410 4.440
232 HD3 LYS 28 1HD LYS 28 -9.911 11.868 4.790
233 HE2 LYS 28 2HE LYS 28 -9.086 12.113 2.560
234 HE3 LYS 28 1HE LYS 28 -8.086 13.154 3.557
235 HZ1 LYS 28 3HZ LYS 28 -7.226 10.415 2.768
236 HZ2 LYS 28 1HZ LYS 28 -6.262 11.621 3.374
237 HZ3 LYS 28 2HZ LYS 28 -6.809 11.763 1.851
238 H GLU 29 H GLU 29 -4.590 8.804 5.061
239 HA GLU 29 HA GLU 29 -5.428 8.779 2.303
240 HB2 GLU 29 2HB GLU 29 -2.707 8.062 3.364
241 HB3 GLU 29 1HB GLU 29 -3.119 8.538 1.725
242 HG2 GLU 29 2HG GLU 29 -2.859 10.203 4.187
243 HG3 GLU 29 1HG GLU 29 -2.120 10.425 2.607
244 H ILE 30 H ILE 30 -4.534 6.501 4.753
245 HA ILE 30 HA ILE 30 -4.642 4.397 2.722
246 HB ILE 30 HB ILE 30 -3.705 2.852 4.370
247 HG12 ILE 30 2HG1 ILE 30 -3.533 5.272 6.180
248 HG13 ILE 30 1HG1 ILE 30 -4.576 3.888 6.447
249 HG21 ILE 30 1HG2 ILE 30 -1.448 3.898 4.487
250 HG22 ILE 30 2HG2 ILE 30 -2.175 5.420 3.972
251 HG23 ILE 30 3HG2 ILE 30 -2.204 4.023 2.899
252 HD11 ILE 30 3HD1 ILE 30 -1.561 3.898 6.475
253 HD12 ILE 30 1HD1 ILE 30 -2.574 2.472 6.693
254 HD13 ILE 30 2HD1 ILE 30 -2.630 3.776 7.876
255 H GLY 31 H GLY 31 -6.634 5.782 4.965
256 HA2 GLY 31 2HA GLY 31 -8.858 5.326 5.362
257 HA3 GLY 31 1HA GLY 31 -8.696 3.870 4.391
258 H LEU 32 H LEU 32 -6.497 4.396 6.969
259 HA LEU 32 HA LEU 32 -7.872 2.265 8.455
260 HB2 LEU 32 2HB LEU 32 -4.911 2.882 8.616
261 HB3 LEU 32 1HB LEU 32 -5.744 1.535 9.352
262 HG LEU 32 HG LEU 32 -4.993 1.936 6.476
263 HD11 LEU 32 1HD1 LEU 32 -3.962 -0.232 6.698
264 HD12 LEU 32 2HD1 LEU 32 -4.506 -0.324 8.370
265 HD13 LEU 32 3HD1 LEU 32 -3.345 0.912 7.893
266 HD21 LEU 32 3HD2 LEU 32 -6.251 -0.075 5.888
267 HD22 LEU 32 1HD2 LEU 32 -7.266 1.272 6.395
268 HD23 LEU 32 2HD2 LEU 32 -6.986 -0.082 7.508
269 H ASP 33 H ASP 33 -6.899 2.383 10.900
270 HA ASP 33 HA ASP 33 -7.901 4.952 11.750
271 HB2 ASP 33 2HB ASP 33 -8.791 2.917 12.861
272 HB3 ASP 33 1HB ASP 33 -7.170 2.520 13.419
273 H LYS 34 H LYS 34 -6.874 5.979 13.548
274 HA LYS 34 HA LYS 34 -4.285 6.914 12.957
275 HB2 LYS 34 2HB LYS 34 -5.769 7.215 15.582
276 HB3 LYS 34 1HB LYS 34 -4.389 8.140 15.067
277 HG2 LYS 34 2HG LYS 34 -6.185 9.578 14.746
278 HG3 LYS 34 1HG LYS 34 -5.823 8.960 13.143
279 HD2 LYS 34 2HD LYS 34 -8.212 9.062 13.405
280 HD3 LYS 34 1HD LYS 34 -7.766 7.370 13.384
281 HE2 LYS 34 2HE LYS 34 -8.195 8.902 15.963
282 HE3 LYS 34 1HE LYS 34 -9.526 8.158 15.100
283 HZ1 LYS 34 3HZ LYS 34 -8.582 6.017 15.435
284 HZ2 LYS 34 1HZ LYS 34 -8.677 6.741 16.919
285 HZ3 LYS 34 2HZ LYS 34 -7.187 6.553 16.131
286 H SER 35 H SER 35 -5.410 4.271 15.010
287 HA SER 35 HA SER 35 -3.032 4.287 16.651
288 HB2 SER 35 2HB SER 35 -5.268 3.663 17.591
289 HB3 SER 35 1HB SER 35 -5.322 2.289 16.491
290 HG SER 35 HG SER 35 -3.117 2.570 18.207
291 H THR 36 H THR 36 -4.461 2.686 13.916
292 HA THR 36 HA THR 36 -2.722 0.607 13.566
293 HB THR 36 HB THR 36 -3.984 2.172 11.355
294 HG1 THR 36 HG1 THR 36 -5.432 0.569 13.246
295 HG21 THR 36 3HG2 THR 36 -2.891 0.009 11.056
296 HG22 THR 36 1HG2 THR 36 -4.650 -0.025 10.718
297 HG23 THR 36 2HG2 THR 36 -4.037 -0.615 12.282
298 H VAL 37 H VAL 37 -2.840 3.972 12.253
299 HA VAL 37 HA VAL 37 -0.440 3.956 10.894
300 HB VAL 37 HB VAL 37 -1.890 6.238 12.240
301 HG11 VAL 37 1HG1 VAL 37 -0.680 7.660 10.696
302 HG12 VAL 37 2HG1 VAL 37 0.241 6.269 10.108
303 HG13 VAL 37 3HG1 VAL 37 0.427 6.819 11.778
304 HG21 VAL 37 3HG2 VAL 37 -3.234 5.071 10.604
305 HG22 VAL 37 1HG2 VAL 37 -1.933 5.203 9.421
306 HG23 VAL 37 2HG2 VAL 37 -2.751 6.655 9.992
307 H ASN 38 H ASN 38 -1.099 4.699 14.298
308 HA ASN 38 HA ASN 38 1.471 5.527 15.006
309 HB2 ASN 38 2HB ASN 38 -0.712 4.195 16.583
310 HB3 ASN 38 1HB ASN 38 0.868 4.424 17.307
311 HD21 ASN 38 2HD2 ASN 38 -0.799 7.962 16.264
312 HD22 ASN 38 1HD2 ASN 38 -0.545 6.732 15.066
313 H ARG 39 H ARG 39 0.133 2.278 14.797
314 HA ARG 39 HA ARG 39 2.365 0.859 15.682
315 HB2 ARG 39 2HB ARG 39 0.492 -0.490 15.440
316 HB3 ARG 39 1HB ARG 39 0.016 0.269 13.923
317 HG2 ARG 39 2HG ARG 39 2.003 -0.790 12.891
318 HG3 ARG 39 1HG ARG 39 2.198 -1.739 14.366
319 HD2 ARG 39 2HD ARG 39 0.358 -3.027 13.922
320 HD3 ARG 39 1HD ARG 39 -0.454 -1.744 13.016
321 HE ARG 39 HE ARG 39 1.448 -2.183 11.339
322 HH11 ARG 39 1HH1 ARG 39 0.095 -4.906 13.248
323 HH12 ARG 39 2HH1 ARG 39 0.276 -5.944 11.879
324 HH21 ARG 39 2HH2 ARG 39 0.951 -5.296 9.945
325 HH22 ARG 39 1HH2 ARG 39 1.466 -3.677 9.598
326 H HIS 40 H HIS 40 1.406 1.907 12.429
327 HA HIS 40 HA HIS 40 3.412 0.617 10.983
328 HB2 HIS 40 2HB HIS 40 1.894 3.127 10.349
329 HB3 HIS 40 1HB HIS 40 2.851 2.211 9.179
330 HD1 HIS 40 HD1 HIS 40 1.742 -0.650 9.834
331 HD2 HIS 40 HD2 HIS 40 -0.629 2.736 9.476
332 HE1 HIS 40 HE1 HIS 40 -0.605 -1.466 9.448
333 H LEU 41 H LEU 41 3.291 3.794 12.415
334 HA LEU 41 HA LEU 41 5.701 4.636 11.148
335 HB2 LEU 41 2HB LEU 41 5.544 6.594 12.592
336 HB3 LEU 41 1HB LEU 41 4.137 6.377 11.555
337 HG LEU 41 HG LEU 41 3.174 5.297 13.778
338 HD11 LEU 41 1HD1 LEU 41 5.176 5.400 15.067
339 HD12 LEU 41 2HD1 LEU 41 3.920 6.404 15.796
340 HD13 LEU 41 3HD1 LEU 41 5.246 7.156 14.897
341 HD21 LEU 41 3HD2 LEU 41 3.426 8.254 13.318
342 HD22 LEU 41 1HD2 LEU 41 2.259 7.469 14.400
343 HD23 LEU 41 2HD2 LEU 41 2.209 7.143 12.666
344 H TYR 42 H TYR 42 4.865 3.161 14.190
345 HA TYR 42 HA TYR 42 7.189 3.787 15.502
346 HB2 TYR 42 2HB TYR 42 4.844 2.167 15.727
347 HB3 TYR 42 1HB TYR 42 6.183 1.496 16.567
348 HD1 TYR 42 HD1 TYR 42 3.448 2.657 17.477
349 HD2 TYR 42 HD2 TYR 42 7.340 4.285 17.379
350 HE1 TYR 42 HE1 TYR 42 2.820 4.220 19.302
351 HE2 TYR 42 HE2 TYR 42 6.757 5.860 19.186
352 HH TYR 42 HH TYR 42 4.674 6.902 20.119
353 H ASN 43 H ASN 43 6.010 1.161 13.578
354 HA ASN 43 HA ASN 43 8.140 -0.658 13.992
355 HB2 ASN 43 2HB ASN 43 6.242 -0.408 11.652
356 HB3 ASN 43 1HB ASN 43 7.344 -1.757 11.899
357 HD21 ASN 43 2HD2 ASN 43 3.919 -2.322 13.299
358 HD22 ASN 43 1HD2 ASN 43 4.368 -1.648 11.781
359 H LEU 44 H LEU 44 7.459 1.658 11.453
360 HA LEU 44 HA LEU 44 9.828 0.994 10.043
361 HB2 LEU 44 2HB LEU 44 8.130 3.454 9.740
362 HB3 LEU 44 1HB LEU 44 9.317 2.868 8.615
363 HG LEU 44 HG LEU 44 6.747 1.459 9.295
364 HD11 LEU 44 1HD1 LEU 44 6.140 1.968 6.978
365 HD12 LEU 44 2HD1 LEU 44 7.641 2.877 6.794
366 HD13 LEU 44 3HD1 LEU 44 6.409 3.431 7.928
367 HD21 LEU 44 3HD2 LEU 44 8.455 -0.186 8.822
368 HD22 LEU 44 1HD2 LEU 44 8.966 0.714 7.390
369 HD23 LEU 44 2HD2 LEU 44 7.387 -0.050 7.423
370 H GLN 45 H GLN 45 9.043 3.363 12.509
371 HA GLN 45 HA GLN 45 11.295 4.996 12.190
372 HB2 GLN 45 2HB GLN 45 9.407 5.583 13.602
373 HB3 GLN 45 1HB GLN 45 9.871 4.342 14.748
374 HG2 GLN 45 2HG GLN 45 11.798 5.433 15.420
375 HG3 GLN 45 1HG GLN 45 11.849 6.440 13.977
376 HE21 GLN 45 2HE2 GLN 45 9.866 8.918 15.237
377 HE22 GLN 45 1HE2 GLN 45 10.650 8.222 13.879
378 H ARG 46 H ARG 46 10.768 1.970 13.772
379 HA ARG 46 HA ARG 46 13.135 1.796 15.349
380 HB2 ARG 46 2HB ARG 46 11.752 -0.549 14.025
381 HB3 ARG 46 1HB ARG 46 12.896 -0.643 15.339
382 HG2 ARG 46 2HG ARG 46 10.061 0.360 15.409
383 HG3 ARG 46 1HG ARG 46 10.726 -1.065 16.200
384 HD2 ARG 46 2HD ARG 46 10.742 0.318 18.000
385 HD3 ARG 46 1HD ARG 46 12.274 0.829 17.278
386 HE ARG 46 HE ARG 46 10.016 2.226 16.275
387 HH11 ARG 46 1HH1 ARG 46 12.475 2.227 18.828
388 HH12 ARG 46 2HH1 ARG 46 12.263 3.858 19.267
389 HH21 ARG 46 2HH2 ARG 46 10.618 5.206 18.093
390 HH22 ARG 46 1HH2 ARG 46 9.686 4.494 16.902
391 H SER 47 H SER 47 12.491 1.124 12.037
392 HA SER 47 HA SER 47 15.156 0.034 11.650
393 HB2 SER 47 2HB SER 47 12.827 0.176 9.746
394 HB3 SER 47 1HB SER 47 14.313 -0.754 9.536
395 HG SER 47 HG SER 47 13.566 -1.609 11.752
396 H ASN 48 H ASN 48 14.020 3.200 11.758
397 HA ASN 48 HA ASN 48 14.473 5.077 10.780
398 HB2 ASN 48 2HB ASN 48 16.843 3.489 9.852
399 HB3 ASN 48 1HB ASN 48 16.701 5.205 9.459
400 HD21 ASN 48 2HD2 ASN 48 17.812 3.955 13.134
401 HD22 ASN 48 1HD2 ASN 48 17.301 2.845 11.904
402 H GLN 49 H GLN 49 12.706 3.255 9.479
403 HA GLN 49 HA GLN 49 13.180 3.730 6.647
404 HB2 GLN 49 2HB GLN 49 12.508 1.449 7.168
405 HB3 GLN 49 1HB GLN 49 11.169 2.005 8.149
406 HG2 GLN 49 2HG GLN 49 10.428 1.094 6.000
407 HG3 GLN 49 1HG GLN 49 10.011 2.799 6.156
408 HE21 GLN 49 2HE2 GLN 49 12.011 3.865 3.514
409 HE22 GLN 49 1HE2 GLN 49 11.155 4.270 4.961
410 H VAL 50 H VAL 50 11.529 4.790 9.390
411 HA VAL 50 HA VAL 50 10.679 7.045 7.925
412 HB VAL 50 HB VAL 50 8.803 5.223 7.986
413 HG11 VAL 50 1HG1 VAL 50 7.336 5.344 9.989
414 HG12 VAL 50 2HG1 VAL 50 8.384 6.605 10.635
415 HG13 VAL 50 3HG1 VAL 50 9.028 4.985 10.473
416 HG21 VAL 50 3HG2 VAL 50 8.476 7.418 7.059
417 HG22 VAL 50 1HG2 VAL 50 8.289 8.114 8.668
418 HG23 VAL 50 2HG2 VAL 50 7.071 7.003 8.041
419 H PHE 51 H PHE 51 10.418 8.567 9.245
420 HA PHE 51 HA PHE 51 10.373 8.564 12.023
421 HB2 PHE 51 2HB PHE 51 12.692 9.754 12.372
422 HB3 PHE 51 1HB PHE 51 12.653 8.004 12.177
423 HD1 PHE 51 HD1 PHE 51 13.269 11.125 10.207
424 HD2 PHE 51 HD2 PHE 51 13.910 6.967 10.691
425 HE1 PHE 51 HE1 PHE 51 14.941 11.172 8.387
426 HE2 PHE 51 HE2 PHE 51 15.539 6.952 8.930
427 HZ PHE 51 HZ PHE 51 16.092 9.084 7.727
428 H ASN 52 H ASN 52 10.664 10.928 12.877
429 HA ASN 52 HA ASN 52 9.368 12.522 10.843
430 HB2 ASN 52 2HB ASN 52 8.659 13.955 12.758
431 HB3 ASN 52 1HB ASN 52 7.878 12.405 12.513
432 HD21 ASN 52 2HD2 ASN 52 8.930 13.182 16.105
433 HD22 ASN 52 1HD2 ASN 52 8.211 14.166 14.860
434 H SER 53 H SER 53 10.156 14.168 10.033
435 HA SER 53 HA SER 53 12.278 15.709 11.307
436 HB2 SER 53 2HB SER 53 13.291 13.488 10.638
437 HB3 SER 53 1HB SER 53 12.997 14.003 8.972
438 HG SER 53 HG SER 53 15.020 14.689 10.655
439 H ASN 54 H ASN 54 13.602 16.382 8.955
440 HA ASN 54 HA ASN 54 13.855 17.620 7.113
441 HB2 ASN 54 2HB ASN 54 13.098 15.639 6.052
442 HB3 ASN 54 1HB ASN 54 11.417 16.075 6.287
443 HD21 ASN 54 2HD2 ASN 54 11.252 18.019 3.385
444 HD22 ASN 54 1HD2 ASN 54 10.401 17.453 4.758
445 H GLU 55 H GLU 55 10.869 18.378 8.690
446 HA GLU 55 HA GLU 55 10.997 20.939 7.433
447 HB2 GLU 55 2HB GLU 55 8.498 20.697 6.722
448 HB3 GLU 55 1HB GLU 55 9.761 20.040 5.694
449 HG2 GLU 55 2HG GLU 55 9.376 17.842 6.852
450 HG3 GLU 55 1HG GLU 55 7.892 18.520 7.522
451 H LYS 56 H LYS 56 8.932 22.229 8.124
452 HA LYS 56 HA LYS 56 9.312 22.589 10.880
453 HB2 LYS 56 2HB LYS 56 7.231 23.825 9.068
454 HB3 LYS 56 1HB LYS 56 7.337 24.207 10.779
455 HG2 LYS 56 2HG LYS 56 9.640 25.002 10.440
456 HG3 LYS 56 1HG LYS 56 9.492 24.649 8.718
457 HD2 LYS 56 2HD LYS 56 7.711 26.270 8.492
458 HD3 LYS 56 1HD LYS 56 7.694 26.546 10.232
459 HE2 LYS 56 2HE LYS 56 8.865 28.353 9.089
460 HE3 LYS 56 1HE LYS 56 9.975 27.446 10.108
461 HZ1 LYS 56 3HZ LYS 56 10.772 26.283 8.140
462 HZ2 LYS 56 1HZ LYS 56 10.949 27.956 7.968
463 HZ3 LYS 56 2HZ LYS 56 9.700 27.161 7.161
464 HA PRO 57 HA PRO 57 5.513 20.126 11.876
465 HB2 PRO 57 2HB PRO 57 4.421 18.776 9.561
466 HB3 PRO 57 1HB PRO 57 3.603 19.983 10.568
467 HG2 PRO 57 2HG PRO 57 4.286 20.405 7.963
468 HG3 PRO 57 1HG PRO 57 4.067 21.692 9.165
469 HD2 PRO 57 2HD PRO 57 6.597 20.475 8.163
470 HD3 PRO 57 1HD PRO 57 6.227 22.169 8.549
471 HA PRO 58 HA PRO 58 8.885 17.031 11.612
472 HB2 PRO 58 2HB PRO 58 7.503 15.364 13.485
473 HB3 PRO 58 1HB PRO 58 8.860 16.458 13.840
474 HG2 PRO 58 2HG PRO 58 5.984 16.829 14.261
475 HG3 PRO 58 1HG PRO 58 7.358 17.587 15.084
476 HD2 PRO 58 2HD PRO 58 5.795 18.918 13.373
477 HD3 PRO 58 1HD PRO 58 7.524 19.281 13.549
478 H VAL 59 H VAL 59 8.804 15.896 9.723
479 HA VAL 59 HA VAL 59 6.253 14.726 9.006
480 HB VAL 59 HB VAL 59 7.496 16.179 7.447
481 HG11 VAL 59 1HG1 VAL 59 9.290 15.268 6.058
482 HG12 VAL 59 2HG1 VAL 59 9.392 13.884 7.141
483 HG13 VAL 59 3HG1 VAL 59 9.766 15.499 7.744
484 HG21 VAL 59 3HG2 VAL 59 6.834 13.396 6.549
485 HG22 VAL 59 1HG2 VAL 59 7.089 14.738 5.457
486 HG23 VAL 59 2HG2 VAL 59 5.737 14.782 6.594
487 H TRP 60 H TRP 60 5.767 12.736 9.148
488 HA TRP 60 HA TRP 60 7.900 10.858 9.474
489 HB2 TRP 60 2HB TRP 60 4.900 10.418 9.248
490 HB3 TRP 60 1HB TRP 60 6.087 9.171 9.642
491 HD1 TRP 60 HD1 TRP 60 4.727 12.404 11.002
492 HE1 TRP 60 HE1 TRP 60 4.910 12.394 13.615
493 HE3 TRP 60 HE3 TRP 60 7.248 8.073 11.542
494 HZ2 TRP 60 HZ2 TRP 60 6.029 10.709 15.593
495 HZ3 TRP 60 HZ3 TRP 60 7.871 7.309 13.794
496 HH2 TRP 60 HH2 TRP 60 7.275 8.601 15.777
497 H ASP 61 H ASP 61 8.955 10.755 7.876
498 HA ASP 61 HA ASP 61 7.928 10.159 5.236
499 HB2 ASP 61 2HB ASP 61 8.206 12.720 5.520
500 HB3 ASP 61 1HB ASP 61 9.911 12.385 5.704
501 H LEU 62 H LEU 62 9.855 10.059 3.998
502 HA LEU 62 HA LEU 62 12.096 8.825 5.382
503 HB2 LEU 62 2HB LEU 62 11.923 6.756 4.010
504 HB3 LEU 62 1HB LEU 62 10.604 7.169 5.112
505 HG LEU 62 HG LEU 62 9.157 7.811 3.274
506 HD11 LEU 62 1HD1 LEU 62 10.750 8.592 1.667
507 HD12 LEU 62 2HD1 LEU 62 9.748 7.318 0.960
508 HD13 LEU 62 3HD1 LEU 62 11.394 6.965 1.475
509 HD21 LEU 62 3HD2 LEU 62 10.352 5.092 2.854
510 HD22 LEU 62 1HD2 LEU 62 8.759 5.619 2.321
511 HD23 LEU 62 2HD2 LEU 62 9.129 5.505 4.049
512 H MET 63 H MET 63 13.431 7.804 3.053
513 HA MET 63 HA MET 63 13.768 10.242 1.454
514 HB2 MET 63 2HB MET 63 15.684 9.832 3.037
515 HB3 MET 63 1HB MET 63 15.890 8.266 2.259
516 HG2 MET 63 2HG MET 63 17.534 9.872 1.448
517 HG3 MET 63 1HG MET 63 16.466 9.325 0.161
518 HE1 MET 63 3HE MET 63 16.069 13.477 2.180
519 HE2 MET 63 1HE MET 63 17.246 12.264 2.679
520 HE3 MET 63 2HE MET 63 15.522 11.989 2.948
521 H GLU 64 H GLU 64 14.867 6.873 1.454
522 HA GLU 64 HA GLU 64 14.868 6.502 -1.310
523 HB2 GLU 64 2HB GLU 64 14.825 4.595 1.007
524 HB3 GLU 64 1HB GLU 64 15.141 4.079 -0.651
525 HG2 GLU 64 2HG GLU 64 17.213 4.189 0.560
526 HG3 GLU 64 1HG GLU 64 17.195 5.539 -0.568
Start of MODEL 3
1 HA MET 1 HA MET 1 16.050 -10.602 7.302
2 HB2 MET 1 2HB MET 1 17.542 -9.446 5.654
3 HB3 MET 1 1HB MET 1 16.463 -9.941 4.362
4 HG2 MET 1 2HG MET 1 14.685 -8.558 5.292
5 HG3 MET 1 1HG MET 1 15.726 -8.105 6.637
6 HE1 MET 1 2HE MET 1 16.444 -6.808 2.251
7 HE2 MET 1 3HE MET 1 15.050 -7.751 2.775
8 HE3 MET 1 1HE MET 1 16.659 -8.476 2.778
9 H SER 2 H SER 2 13.799 -10.229 7.343
10 HA SER 2 HA SER 2 12.278 -11.920 5.511
11 HB2 SER 2 2HB SER 2 11.564 -10.967 8.295
12 HB3 SER 2 1HB SER 2 10.723 -12.189 7.334
13 HG SER 2 HG SER 2 11.987 -13.412 8.563
14 H ALA 3 H ALA 3 10.262 -10.953 4.758
15 HA ALA 3 HA ALA 3 10.496 -8.089 4.563
16 HB1 ALA 3 1HB ALA 3 8.754 -8.228 2.859
17 HB2 ALA 3 2HB ALA 3 8.518 -9.938 3.218
18 HB3 ALA 3 3HB ALA 3 10.039 -9.386 2.517
19 H GLU 4 H GLU 4 10.088 -7.758 6.757
20 HA GLU 4 HA GLU 4 7.347 -8.052 7.671
21 HB2 GLU 4 2HB GLU 4 9.064 -8.624 9.277
22 HB3 GLU 4 1HB GLU 4 9.935 -7.147 8.961
23 HG2 GLU 4 2HG GLU 4 7.207 -7.050 10.230
24 HG3 GLU 4 1HG GLU 4 8.626 -7.441 11.196
25 H THR 5 H THR 5 9.743 -5.469 7.656
26 HA THR 5 HA THR 5 8.291 -3.240 8.096
27 HB THR 5 HB THR 5 10.723 -3.289 6.392
28 HG1 THR 5 HG1 THR 5 10.499 -4.381 9.049
29 HG21 THR 5 3HG2 THR 5 9.961 -1.915 8.982
30 HG22 THR 5 1HG2 THR 5 10.022 -1.189 7.375
31 HG23 THR 5 2HG2 THR 5 11.511 -1.725 8.159
32 H GLN 6 H GLN 6 7.861 -5.054 5.406
33 HA GLN 6 HA GLN 6 8.127 -3.128 3.273
34 HB2 GLN 6 2HB GLN 6 8.445 -5.594 2.942
35 HB3 GLN 6 1HB GLN 6 6.714 -5.792 3.183
36 HG2 GLN 6 2HG GLN 6 6.429 -4.132 1.264
37 HG3 GLN 6 1HG GLN 6 8.134 -4.405 0.934
38 HE21 GLN 6 2HE2 GLN 6 7.652 -7.566 -0.466
39 HE22 GLN 6 1HE2 GLN 6 8.783 -6.442 0.185
40 H MET 7 H MET 7 5.543 -4.332 5.350
41 HA MET 7 HA MET 7 3.437 -3.492 3.558
42 HB2 MET 7 2HB MET 7 3.304 -4.311 6.462
43 HB3 MET 7 1HB MET 7 1.917 -4.092 5.406
44 HG2 MET 7 2HG MET 7 2.687 -5.939 4.009
45 HG3 MET 7 1HG MET 7 4.085 -6.150 5.058
46 HE1 MET 7 3HE MET 7 2.820 -5.678 7.968
47 HE2 MET 7 1HE MET 7 3.960 -6.963 7.558
48 HE3 MET 7 2HE MET 7 2.460 -7.348 8.396
49 H GLU 8 H GLU 8 4.719 -2.493 6.551
50 HA GLU 8 HA GLU 8 3.257 -0.260 7.165
51 HB2 GLU 8 2HB GLU 8 6.179 -0.896 7.595
52 HB3 GLU 8 1HB GLU 8 5.308 0.378 8.426
53 HG2 GLU 8 2HG GLU 8 5.723 -1.642 9.794
54 HG3 GLU 8 1HG GLU 8 4.018 -1.258 9.644
55 H ARG 9 H ARG 9 6.189 -0.655 5.251
56 HA ARG 9 HA ARG 9 6.419 2.141 4.798
57 HB2 ARG 9 2HB ARG 9 8.404 0.643 4.770
58 HB3 ARG 9 1HB ARG 9 7.799 -0.121 3.315
59 HG2 ARG 9 2HG ARG 9 8.435 2.822 3.412
60 HG3 ARG 9 1HG ARG 9 9.669 1.611 3.075
61 HD2 ARG 9 2HD ARG 9 8.424 0.860 1.111
62 HD3 ARG 9 1HD ARG 9 7.109 1.939 1.606
63 HE ARG 9 HE ARG 9 8.083 3.548 0.405
64 HH11 ARG 9 1HH1 ARG 9 10.853 1.559 1.504
65 HH12 ARG 9 2HH1 ARG 9 11.959 2.566 0.685
66 HH21 ARG 9 2HH2 ARG 9 11.176 4.344 -0.762
67 HH22 ARG 9 1HH2 ARG 9 9.500 4.628 -0.729
68 H LYS 10 H LYS 10 4.877 -0.453 3.055
69 HA LYS 10 HA LYS 10 4.573 0.991 0.631
70 HB2 LYS 10 2HB LYS 10 3.066 -1.398 1.671
71 HB3 LYS 10 1HB LYS 10 2.720 -0.674 0.107
72 HG2 LYS 10 2HG LYS 10 5.012 -1.128 -0.616
73 HG3 LYS 10 1HG LYS 10 5.371 -1.827 0.959
74 HD2 LYS 10 2HD LYS 10 3.346 -2.883 -1.031
75 HD3 LYS 10 1HD LYS 10 4.940 -3.566 -0.723
76 HE2 LYS 10 2HE LYS 10 4.236 -3.937 1.652
77 HE3 LYS 10 1HE LYS 10 2.610 -3.428 1.197
78 HZ1 LYS 10 3HZ LYS 10 2.750 -5.813 1.155
79 HZ2 LYS 10 1HZ LYS 10 4.116 -5.758 0.167
80 HZ3 LYS 10 2HZ LYS 10 2.617 -5.276 -0.451
81 H ILE 11 H ILE 11 2.585 0.924 3.569
82 HA ILE 11 HA ILE 11 0.433 2.190 2.208
83 HB ILE 11 HB ILE 11 -0.522 2.497 4.441
84 HG12 ILE 11 2HG1 ILE 11 2.108 1.330 5.353
85 HG13 ILE 11 1HG1 ILE 11 1.384 2.858 5.823
86 HG21 ILE 11 1HG2 ILE 11 -0.787 0.074 4.925
87 HG22 ILE 11 2HG2 ILE 11 0.616 -0.214 3.884
88 HG23 ILE 11 3HG2 ILE 11 -0.878 0.427 3.185
89 HD11 ILE 11 3HD1 ILE 11 1.268 1.235 7.594
90 HD12 ILE 11 1HD1 ILE 11 0.455 0.129 6.486
91 HD13 ILE 11 2HD1 ILE 11 -0.371 1.615 7.007
92 H ILE 12 H ILE 12 3.117 3.228 4.261
93 HA ILE 12 HA ILE 12 2.145 5.869 4.272
94 HB ILE 12 HB ILE 12 3.994 6.547 5.453
95 HG12 ILE 12 2HG1 ILE 12 6.149 4.727 5.164
96 HG13 ILE 12 1HG1 ILE 12 5.404 4.861 3.618
97 HG21 ILE 12 1HG2 ILE 12 2.923 4.876 6.765
98 HG22 ILE 12 2HG2 ILE 12 4.662 4.841 7.063
99 HG23 ILE 12 3HG2 ILE 12 3.918 3.614 6.040
100 HD11 ILE 12 3HD1 ILE 12 5.511 7.297 3.560
101 HD12 ILE 12 1HD1 ILE 12 7.129 6.626 3.777
102 HD13 ILE 12 2HD1 ILE 12 6.252 7.333 5.136
103 H ASP 13 H ASP 13 4.157 4.001 2.084
104 HA ASP 13 HA ASP 13 5.269 6.245 0.784
105 HB2 ASP 13 2HB ASP 13 6.057 3.765 0.654
106 HB3 ASP 13 1HB ASP 13 4.891 3.637 -0.663
107 H PHE 14 H PHE 14 2.342 4.401 0.390
108 HA PHE 14 HA PHE 14 1.360 5.417 -1.969
109 HB2 PHE 14 2HB PHE 14 0.178 3.650 -0.901
110 HB3 PHE 14 1HB PHE 14 0.063 4.534 0.609
111 HD1 PHE 14 HD1 PHE 14 -1.771 5.809 1.085
112 HD2 PHE 14 HD2 PHE 14 -1.165 4.471 -2.878
113 HE1 PHE 14 HE1 PHE 14 -4.041 6.605 0.504
114 HE2 PHE 14 HE2 PHE 14 -3.432 5.255 -3.505
115 HZ PHE 14 HZ PHE 14 -4.870 6.325 -1.807
116 H LEU 15 H LEU 15 0.718 6.668 1.355
117 HA LEU 15 HA LEU 15 -0.195 9.021 0.017
118 HB2 LEU 15 2HB LEU 15 -0.999 9.993 2.031
119 HB3 LEU 15 1HB LEU 15 -1.397 8.299 2.040
120 HG LEU 15 HG LEU 15 -0.923 8.917 4.232
121 HD11 LEU 15 1HD1 LEU 15 1.440 7.491 3.170
122 HD12 LEU 15 2HD1 LEU 15 -0.083 6.795 3.727
123 HD13 LEU 15 3HD1 LEU 15 1.004 7.597 4.872
124 HD21 LEU 15 3HD2 LEU 15 1.203 9.953 4.991
125 HD22 LEU 15 1HD2 LEU 15 0.246 10.998 3.934
126 HD23 LEU 15 2HD2 LEU 15 1.651 10.149 3.300
127 H ARG 16 H ARG 16 2.796 8.070 0.922
128 HA ARG 16 HA ARG 16 4.132 10.464 1.446
129 HB2 ARG 16 2HB ARG 16 5.324 8.408 1.623
130 HB3 ARG 16 1HB ARG 16 4.866 7.963 -0.019
131 HG2 ARG 16 2HG ARG 16 6.218 9.683 -0.898
132 HG3 ARG 16 1HG ARG 16 6.693 10.184 0.723
133 HD2 ARG 16 2HD ARG 16 7.663 7.894 1.054
134 HD3 ARG 16 1HD ARG 16 7.233 7.508 -0.605
135 HE ARG 16 HE ARG 16 8.950 9.803 -0.174
136 HH11 ARG 16 1HH1 ARG 16 8.740 6.384 -1.243
137 HH12 ARG 16 2HH1 ARG 16 10.382 6.367 -1.777
138 HH21 ARG 16 2HH2 ARG 16 11.750 8.174 -1.672
139 HH22 ARG 16 1HH2 ARG 16 11.226 9.652 -1.017
140 H GLN 17 H GLN 17 3.524 8.773 -1.533
141 HA GLN 17 HA GLN 17 4.501 10.749 -3.296
142 HB2 GLN 17 2HB GLN 17 2.399 8.672 -3.940
143 HB3 GLN 17 1HB GLN 17 3.433 9.506 -5.082
144 HG2 GLN 17 2HG GLN 17 4.255 7.430 -3.056
145 HG3 GLN 17 1HG GLN 17 4.194 7.244 -4.802
146 HE21 GLN 17 2HE2 GLN 17 7.670 7.839 -3.540
147 HE22 GLN 17 1HE2 GLN 17 6.407 6.776 -3.032
148 H ASN 18 H ASN 18 1.403 10.221 -1.796
149 HA ASN 18 HA ASN 18 0.032 12.218 -3.369
150 HB2 ASN 18 2HB ASN 18 -0.787 11.174 -0.636
151 HB3 ASN 18 1HB ASN 18 -1.821 11.974 -1.809
152 HD21 ASN 18 2HD2 ASN 18 -1.168 8.820 -3.849
153 HD22 ASN 18 1HD2 ASN 18 -0.507 10.415 -4.009
154 H GLY 19 H GLY 19 1.599 12.046 -0.308
155 HA2 GLY 19 2HA GLY 19 2.848 14.347 -0.053
156 HA3 GLY 19 1HA GLY 19 1.186 14.851 0.245
157 H LYS 20 H LYS 20 3.793 12.636 1.456
158 HA LYS 20 HA LYS 20 2.998 11.693 3.745
159 HB2 LYS 20 2HB LYS 20 5.329 12.437 4.630
160 HB3 LYS 20 1HB LYS 20 5.195 11.297 3.308
161 HG2 LYS 20 2HG LYS 20 6.977 12.942 2.922
162 HG3 LYS 20 1HG LYS 20 5.726 13.041 1.696
163 HD2 LYS 20 2HD LYS 20 4.896 15.071 2.586
164 HD3 LYS 20 1HD LYS 20 5.807 14.902 4.079
165 HE2 LYS 20 2HE LYS 20 7.058 15.231 1.348
166 HE3 LYS 20 1HE LYS 20 6.740 16.569 2.449
167 HZ1 LYS 20 3HZ LYS 20 8.247 15.765 3.982
168 HZ2 LYS 20 1HZ LYS 20 9.050 15.684 2.533
169 HZ3 LYS 20 2HZ LYS 20 8.487 14.246 3.214
170 H SER 21 H SER 21 3.131 12.308 6.073
171 HA SER 21 HA SER 21 2.776 14.996 6.837
172 HB2 SER 21 2HB SER 21 0.802 14.789 5.293
173 HB3 SER 21 1HB SER 21 0.200 13.467 6.283
174 HG SER 21 HG SER 21 0.113 16.164 6.652
175 H ILE 22 H ILE 22 0.695 14.441 8.671
176 HA ILE 22 HA ILE 22 2.175 12.881 10.612
177 HB ILE 22 HB ILE 22 0.432 13.570 12.239
178 HG12 ILE 22 2HG1 ILE 22 -0.728 15.135 9.908
179 HG13 ILE 22 1HG1 ILE 22 -1.466 13.721 10.646
180 HG21 ILE 22 1HG2 ILE 22 1.024 15.960 12.278
181 HG22 ILE 22 2HG2 ILE 22 1.649 15.817 10.635
182 HG23 ILE 22 3HG2 ILE 22 2.420 14.931 11.950
183 HD11 ILE 22 3HD1 ILE 22 -2.522 15.776 11.400
184 HD12 ILE 22 1HD1 ILE 22 -0.972 16.367 11.997
185 HD13 ILE 22 2HD1 ILE 22 -1.723 14.955 12.741
186 H ALA 23 H ALA 23 0.964 11.372 12.035
187 HA ALA 23 HA ALA 23 0.133 9.121 10.638
188 HB1 ALA 23 1HB ALA 23 -0.388 9.815 13.503
189 HB2 ALA 23 2HB ALA 23 1.111 9.115 12.882
190 HB3 ALA 23 3HB ALA 23 -0.395 8.191 12.814
191 H LEU 24 H LEU 24 -1.723 11.807 11.744
192 HA LEU 24 HA LEU 24 -4.250 10.465 11.922
193 HB2 LEU 24 2HB LEU 24 -3.620 12.589 13.151
194 HB3 LEU 24 1HB LEU 24 -3.662 13.431 11.627
195 HG LEU 24 HG LEU 24 -5.631 13.842 13.106
196 HD11 LEU 24 1HD1 LEU 24 -7.375 13.631 11.418
197 HD12 LEU 24 2HD1 LEU 24 -6.324 12.584 10.466
198 HD13 LEU 24 3HD1 LEU 24 -5.875 14.266 10.744
199 HD21 LEU 24 3HD2 LEU 24 -6.306 10.963 12.519
200 HD22 LEU 24 1HD2 LEU 24 -7.358 12.127 13.323
201 HD23 LEU 24 2HD2 LEU 24 -5.846 11.630 14.086
202 H THR 25 H THR 25 -2.424 12.212 9.521
203 HA THR 25 HA THR 25 -4.466 12.365 7.577
204 HB THR 25 HB THR 25 -1.475 12.378 7.254
205 HG1 THR 25 HG1 THR 25 -1.523 14.424 7.848
206 HG21 THR 25 3HG2 THR 25 -2.857 12.029 5.223
207 HG22 THR 25 1HG2 THR 25 -1.936 13.546 5.154
208 HG23 THR 25 2HG2 THR 25 -3.663 13.554 5.534
209 H ILE 26 H ILE 26 -1.630 10.244 8.012
210 HA ILE 26 HA ILE 26 -1.957 8.593 5.868
211 HB ILE 26 HB ILE 26 -1.265 7.493 8.615
212 HG12 ILE 26 2HG1 ILE 26 0.527 8.802 6.525
213 HG13 ILE 26 1HG1 ILE 26 0.111 9.512 8.073
214 HG21 ILE 26 1HG2 ILE 26 -0.613 6.633 5.820
215 HG22 ILE 26 2HG2 ILE 26 -1.760 5.885 6.912
216 HG23 ILE 26 3HG2 ILE 26 -0.022 5.838 7.296
217 HD11 ILE 26 3HD1 ILE 26 2.354 8.590 8.094
218 HD12 ILE 26 1HD1 ILE 26 1.723 7.004 7.649
219 HD13 ILE 26 2HD1 ILE 26 1.312 7.708 9.212
220 H ALA 27 H ALA 27 -3.617 8.361 8.949
221 HA ALA 27 HA ALA 27 -5.023 6.024 8.558
222 HB1 ALA 27 1HB ALA 27 -6.525 6.810 10.287
223 HB2 ALA 27 2HB ALA 27 -5.934 8.460 10.070
224 HB3 ALA 27 3HB ALA 27 -4.852 7.211 10.688
225 H LYS 28 H LYS 28 -5.881 9.323 7.480
226 HA LYS 28 HA LYS 28 -8.464 8.376 6.676
227 HB2 LYS 28 2HB LYS 28 -8.752 10.527 5.636
228 HB3 LYS 28 1HB LYS 28 -8.344 10.662 7.384
229 HG2 LYS 28 2HG LYS 28 -6.102 11.362 6.631
230 HG3 LYS 28 1HG LYS 28 -6.652 11.249 4.960
231 HD2 LYS 28 2HD LYS 28 -8.416 12.935 5.485
232 HD3 LYS 28 1HD LYS 28 -7.714 13.110 7.092
233 HE2 LYS 28 2HE LYS 28 -6.896 14.888 5.696
234 HE3 LYS 28 1HE LYS 28 -5.572 13.778 6.028
235 HZ1 LYS 28 3HZ LYS 28 -6.075 12.746 3.790
236 HZ2 LYS 28 1HZ LYS 28 -5.482 14.291 3.684
237 HZ3 LYS 28 2HZ LYS 28 -7.122 13.966 3.474
238 H GLU 29 H GLU 29 -5.561 9.139 5.198
239 HA GLU 29 HA GLU 29 -6.320 9.025 2.454
240 HB2 GLU 29 2HB GLU 29 -3.567 8.197 3.358
241 HB3 GLU 29 1HB GLU 29 -4.025 8.923 1.831
242 HG2 GLU 29 2HG GLU 29 -3.931 10.241 4.527
243 HG3 GLU 29 1HG GLU 29 -2.832 10.501 3.196
244 H ILE 30 H ILE 30 -5.053 6.508 4.571
245 HA ILE 30 HA ILE 30 -5.409 4.593 2.404
246 HB ILE 30 HB ILE 30 -4.426 2.897 3.906
247 HG12 ILE 30 2HG1 ILE 30 -4.041 5.216 5.810
248 HG13 ILE 30 1HG1 ILE 30 -5.087 3.834 6.083
249 HG21 ILE 30 1HG2 ILE 30 -2.990 4.100 2.368
250 HG22 ILE 30 2HG2 ILE 30 -2.120 3.812 3.877
251 HG23 ILE 30 3HG2 ILE 30 -2.788 5.407 3.535
252 HD11 ILE 30 3HD1 ILE 30 -3.061 3.592 7.361
253 HD12 ILE 30 1HD1 ILE 30 -2.078 3.823 5.912
254 HD13 ILE 30 2HD1 ILE 30 -3.076 2.386 6.072
255 H GLY 31 H GLY 31 -7.292 5.904 4.698
256 HA2 GLY 31 2HA GLY 31 -9.404 5.435 5.424
257 HA3 GLY 31 1HA GLY 31 -9.424 4.106 4.275
258 H LEU 32 H LEU 32 -7.028 4.338 6.767
259 HA LEU 32 HA LEU 32 -8.294 1.990 8.003
260 HB2 LEU 32 2HB LEU 32 -5.329 2.580 8.039
261 HB3 LEU 32 1HB LEU 32 -6.116 1.165 8.689
262 HG LEU 32 HG LEU 32 -5.589 1.873 5.825
263 HD11 LEU 32 1HD1 LEU 32 -4.972 -0.576 7.434
264 HD12 LEU 32 2HD1 LEU 32 -3.846 0.705 7.009
265 HD13 LEU 32 3HD1 LEU 32 -4.549 -0.306 5.744
266 HD21 LEU 32 3HD2 LEU 32 -7.872 1.209 5.859
267 HD22 LEU 32 1HD2 LEU 32 -7.505 -0.253 6.793
268 HD23 LEU 32 2HD2 LEU 32 -6.894 -0.066 5.135
269 H ASP 33 H ASP 33 -7.116 1.699 10.284
270 HA ASP 33 HA ASP 33 -8.139 3.900 11.772
271 HB2 ASP 33 2HB ASP 33 -8.718 1.843 12.716
272 HB3 ASP 33 1HB ASP 33 -7.086 1.202 12.550
273 H LYS 34 H LYS 34 -7.114 4.919 13.433
274 HA LYS 34 HA LYS 34 -4.741 6.276 12.646
275 HB2 LYS 34 2HB LYS 34 -5.204 7.698 14.520
276 HB3 LYS 34 1HB LYS 34 -6.738 7.287 13.770
277 HG2 LYS 34 2HG LYS 34 -6.766 5.378 15.582
278 HG3 LYS 34 1HG LYS 34 -5.624 6.427 16.410
279 HD2 LYS 34 2HD LYS 34 -7.700 7.036 17.287
280 HD3 LYS 34 1HD LYS 34 -7.391 8.268 16.060
281 HE2 LYS 34 2HE LYS 34 -9.688 7.498 15.889
282 HE3 LYS 34 1HE LYS 34 -8.787 6.989 14.464
283 HZ1 LYS 34 3HZ LYS 34 -9.396 5.238 16.808
284 HZ2 LYS 34 1HZ LYS 34 -8.605 4.730 15.419
285 HZ3 LYS 34 2HZ LYS 34 -10.195 5.179 15.325
286 H SER 35 H SER 35 -5.402 3.702 15.045
287 HA SER 35 HA SER 35 -2.872 4.152 16.362
288 HB2 SER 35 2HB SER 35 -5.011 2.037 16.782
289 HB3 SER 35 1HB SER 35 -3.660 2.382 17.868
290 HG SER 35 HG SER 35 -5.217 3.548 18.738
291 H THR 36 H THR 36 -4.488 2.177 14.053
292 HA THR 36 HA THR 36 -2.730 0.180 13.684
293 HB THR 36 HB THR 36 -4.717 1.706 12.060
294 HG1 THR 36 HG1 THR 36 -5.641 0.600 13.743
295 HG21 THR 36 3HG2 THR 36 -3.365 -0.873 11.444
296 HG22 THR 36 1HG2 THR 36 -3.171 0.693 10.626
297 HG23 THR 36 2HG2 THR 36 -4.751 -0.145 10.560
298 H VAL 37 H VAL 37 -2.958 3.476 12.082
299 HA VAL 37 HA VAL 37 -0.710 3.261 10.485
300 HB VAL 37 HB VAL 37 -1.940 5.566 11.929
301 HG11 VAL 37 1HG1 VAL 37 -0.010 5.659 9.599
302 HG12 VAL 37 2HG1 VAL 37 0.367 6.021 11.282
303 HG13 VAL 37 3HG1 VAL 37 -0.757 7.049 10.412
304 HG21 VAL 37 3HG2 VAL 37 -2.970 6.079 9.745
305 HG22 VAL 37 1HG2 VAL 37 -3.459 4.509 10.385
306 HG23 VAL 37 2HG2 VAL 37 -2.254 4.603 9.100
307 H ASN 38 H ASN 38 -1.068 4.525 13.760
308 HA ASN 38 HA ASN 38 1.543 5.309 14.158
309 HB2 ASN 38 2HB ASN 38 -0.608 4.523 16.077
310 HB3 ASN 38 1HB ASN 38 1.022 4.792 16.675
311 HD21 ASN 38 2HD2 ASN 38 -1.277 7.915 15.582
312 HD22 ASN 38 1HD2 ASN 38 -1.801 6.300 15.246
313 H ARG 39 H ARG 39 0.134 2.159 14.823
314 HA ARG 39 HA ARG 39 2.480 1.125 16.065
315 HB2 ARG 39 2HB ARG 39 1.522 -1.084 15.882
316 HB3 ARG 39 1HB ARG 39 0.218 0.047 16.257
317 HG2 ARG 39 2HG ARG 39 -0.397 0.049 13.881
318 HG3 ARG 39 1HG ARG 39 0.867 -1.129 13.575
319 HD2 ARG 39 2HD ARG 39 -0.284 -2.697 15.090
320 HD3 ARG 39 1HD ARG 39 -1.578 -1.506 15.292
321 HE ARG 39 HE ARG 39 -0.873 -2.323 12.592
322 HH11 ARG 39 1HH1 ARG 39 -3.250 -2.486 15.210
323 HH12 ARG 39 2HH1 ARG 39 -4.497 -3.095 14.233
324 HH21 ARG 39 2HH2 ARG 39 -4.071 -3.533 11.895
325 HH22 ARG 39 1HH2 ARG 39 -2.528 -3.169 11.265
326 H HIS 40 H HIS 40 1.421 1.231 12.750
327 HA HIS 40 HA HIS 40 3.473 -0.525 11.816
328 HB2 HIS 40 2HB HIS 40 1.523 1.257 10.405
329 HB3 HIS 40 1HB HIS 40 2.768 0.428 9.499
330 HD1 HIS 40 HD1 HIS 40 2.498 -2.463 9.627
331 HD2 HIS 40 HD2 HIS 40 -0.711 -0.156 10.995
332 HE1 HIS 40 HE1 HIS 40 0.594 -3.984 9.814
333 H LEU 41 H LEU 41 3.181 2.943 12.108
334 HA LEU 41 HA LEU 41 5.582 3.381 10.635
335 HB2 LEU 41 2HB LEU 41 5.449 5.711 11.371
336 HB3 LEU 41 1HB LEU 41 3.971 5.164 10.611
337 HG LEU 41 HG LEU 41 3.172 4.823 13.062
338 HD11 LEU 41 1HD1 LEU 41 5.371 6.821 13.487
339 HD12 LEU 41 2HD1 LEU 41 5.240 5.217 14.210
340 HD13 LEU 41 3HD1 LEU 41 4.078 6.474 14.637
341 HD21 LEU 41 3HD2 LEU 41 2.275 7.051 13.081
342 HD22 LEU 41 1HD2 LEU 41 2.253 6.319 11.480
343 HD23 LEU 41 2HD2 LEU 41 3.466 7.556 11.862
344 H TYR 42 H TYR 42 4.782 2.823 14.028
345 HA TYR 42 HA TYR 42 7.123 3.607 15.103
346 HB2 TYR 42 2HB TYR 42 4.838 2.014 15.659
347 HB3 TYR 42 1HB TYR 42 6.216 1.488 16.542
348 HD1 TYR 42 HD1 TYR 42 3.454 3.438 16.602
349 HD2 TYR 42 HD2 TYR 42 7.519 3.676 17.510
350 HE1 TYR 42 HE1 TYR 42 2.951 5.344 18.149
351 HE2 TYR 42 HE2 TYR 42 7.111 5.580 19.071
352 HH TYR 42 HH TYR 42 3.952 6.459 20.053
353 H ASN 43 H ASN 43 6.171 0.691 13.533
354 HA ASN 43 HA ASN 43 8.476 -0.853 14.162
355 HB2 ASN 43 2HB ASN 43 6.818 -1.044 11.633
356 HB3 ASN 43 1HB ASN 43 7.906 -2.280 12.250
357 HD21 ASN 43 2HD2 ASN 43 4.334 -2.890 13.128
358 HD22 ASN 43 1HD2 ASN 43 5.135 -2.421 11.660
359 H LEU 44 H LEU 44 7.679 1.036 11.278
360 HA LEU 44 HA LEU 44 10.138 0.827 9.927
361 HB2 LEU 44 2HB LEU 44 8.421 3.304 9.958
362 HB3 LEU 44 1HB LEU 44 9.557 2.800 8.762
363 HG LEU 44 HG LEU 44 7.045 1.245 9.292
364 HD11 LEU 44 1HD1 LEU 44 7.623 3.315 7.167
365 HD12 LEU 44 2HD1 LEU 44 6.499 3.511 8.511
366 HD13 LEU 44 3HD1 LEU 44 6.179 2.309 7.263
367 HD21 LEU 44 3HD2 LEU 44 8.749 -0.052 8.288
368 HD22 LEU 44 1HD2 LEU 44 9.124 1.224 7.122
369 HD23 LEU 44 2HD2 LEU 44 7.586 0.386 7.027
370 H GLN 45 H GLN 45 9.044 3.010 12.421
371 HA GLN 45 HA GLN 45 11.079 4.898 12.378
372 HB2 GLN 45 2HB GLN 45 8.925 5.123 13.470
373 HB3 GLN 45 1HB GLN 45 9.454 4.000 14.714
374 HG2 GLN 45 2HG GLN 45 11.076 5.466 15.517
375 HG3 GLN 45 1HG GLN 45 10.962 6.504 14.092
376 HE21 GLN 45 2HE2 GLN 45 8.186 8.188 15.139
377 HE22 GLN 45 1HE2 GLN 45 9.223 7.785 13.830
378 H ARG 46 H ARG 46 10.745 1.775 13.942
379 HA ARG 46 HA ARG 46 12.886 1.943 15.828
380 HB2 ARG 46 2HB ARG 46 11.871 -0.549 14.442
381 HB3 ARG 46 1HB ARG 46 12.884 -0.516 15.864
382 HG2 ARG 46 2HG ARG 46 9.998 0.312 15.645
383 HG3 ARG 46 1HG ARG 46 10.649 -1.091 16.486
384 HD2 ARG 46 2HD ARG 46 10.372 0.318 18.266
385 HD3 ARG 46 1HD ARG 46 12.004 0.763 17.750
386 HE ARG 46 HE ARG 46 9.942 2.288 16.505
387 HH11 ARG 46 1HH1 ARG 46 12.150 2.112 19.265
388 HH12 ARG 46 2HH1 ARG 46 11.952 3.727 19.765
389 HH21 ARG 46 2HH2 ARG 46 10.461 5.175 18.542
390 HH22 ARG 46 1HH2 ARG 46 9.621 4.604 17.218
391 H SER 47 H SER 47 12.647 1.125 12.521
392 HA SER 47 HA SER 47 15.377 0.192 12.354
393 HB2 SER 47 2HB SER 47 13.617 -1.078 11.208
394 HB3 SER 47 1HB SER 47 13.201 0.343 10.256
395 HG SER 47 HG SER 47 15.601 0.194 9.712
396 H ASN 48 H ASN 48 13.999 3.287 12.375
397 HA ASN 48 HA ASN 48 14.524 5.235 11.612
398 HB2 ASN 48 2HB ASN 48 17.141 3.837 11.165
399 HB3 ASN 48 1HB ASN 48 16.965 5.561 10.817
400 HD21 ASN 48 2HD2 ASN 48 17.336 4.192 14.600
401 HD22 ASN 48 1HD2 ASN 48 17.176 3.112 13.255
402 H GLN 49 H GLN 49 13.034 3.694 9.972
403 HA GLN 49 HA GLN 49 14.103 4.327 7.338
404 HB2 GLN 49 2HB GLN 49 13.428 1.940 7.703
405 HB3 GLN 49 1HB GLN 49 11.813 2.474 8.132
406 HG2 GLN 49 2HG GLN 49 13.009 3.049 5.434
407 HG3 GLN 49 1HG GLN 49 12.180 1.536 5.785
408 HE21 GLN 49 2HE2 GLN 49 9.952 4.285 4.477
409 HE22 GLN 49 1HE2 GLN 49 11.554 3.843 3.981
410 H VAL 50 H VAL 50 11.362 4.525 9.495
411 HA VAL 50 HA VAL 50 10.633 7.000 8.145
412 HB VAL 50 HB VAL 50 8.951 4.875 8.288
413 HG11 VAL 50 1HG1 VAL 50 8.278 6.491 10.739
414 HG12 VAL 50 2HG1 VAL 50 9.093 4.955 10.749
415 HG13 VAL 50 3HG1 VAL 50 7.396 5.059 10.162
416 HG21 VAL 50 3HG2 VAL 50 8.438 6.900 7.085
417 HG22 VAL 50 1HG2 VAL 50 8.089 7.740 8.595
418 HG23 VAL 50 2HG2 VAL 50 7.050 6.417 8.062
419 H PHE 51 H PHE 51 10.451 8.514 9.396
420 HA PHE 51 HA PHE 51 10.097 8.634 12.163
421 HB2 PHE 51 2HB PHE 51 12.362 9.738 12.788
422 HB3 PHE 51 1HB PHE 51 12.347 7.996 12.562
423 HD1 PHE 51 HD1 PHE 51 13.635 6.970 11.023
424 HD2 PHE 51 HD2 PHE 51 13.341 11.183 10.959
425 HE1 PHE 51 HE1 PHE 51 15.493 7.017 9.505
426 HE2 PHE 51 HE2 PHE 51 15.239 11.296 9.378
427 HZ PHE 51 HZ PHE 51 16.335 9.211 8.633
428 H ASN 52 H ASN 52 10.960 11.131 12.852
429 HA ASN 52 HA ASN 52 9.463 12.725 10.926
430 HB2 ASN 52 2HB ASN 52 10.624 13.612 13.513
431 HB3 ASN 52 1HB ASN 52 9.462 14.442 12.530
432 HD21 ASN 52 2HD2 ASN 52 6.638 12.813 13.648
433 HD22 ASN 52 1HD2 ASN 52 7.311 13.943 12.539
434 H SER 53 H SER 53 10.393 14.226 9.753
435 HA SER 53 HA SER 53 13.219 14.881 10.105
436 HB2 SER 53 2HB SER 53 13.069 12.516 9.244
437 HB3 SER 53 1HB SER 53 12.343 13.213 7.797
438 HG SER 53 HG SER 53 14.580 12.866 7.524
439 H ASN 54 H ASN 54 13.905 15.451 7.680
440 HA ASN 54 HA ASN 54 14.081 16.775 5.879
441 HB2 ASN 54 2HB ASN 54 12.777 15.063 4.926
442 HB3 ASN 54 1HB ASN 54 11.287 15.750 5.544
443 HD21 ASN 54 2HD2 ASN 54 10.844 17.929 2.853
444 HD22 ASN 54 1HD2 ASN 54 10.237 17.365 4.350
445 H GLU 55 H GLU 55 11.669 18.044 8.040
446 HA GLU 55 HA GLU 55 11.975 20.578 6.732
447 HB2 GLU 55 2HB GLU 55 9.427 20.747 6.411
448 HB3 GLU 55 1HB GLU 55 10.349 19.791 5.258
449 HG2 GLU 55 2HG GLU 55 9.795 17.798 6.672
450 HG3 GLU 55 1HG GLU 55 8.560 18.792 7.474
451 H LYS 56 H LYS 56 10.286 22.144 7.730
452 HA LYS 56 HA LYS 56 11.046 22.347 10.437
453 HB2 LYS 56 2HB LYS 56 9.071 24.019 8.869
454 HB3 LYS 56 1HB LYS 56 9.458 24.330 10.553
455 HG2 LYS 56 2HG LYS 56 11.816 24.658 9.932
456 HG3 LYS 56 1HG LYS 56 11.393 24.381 8.242
457 HD2 LYS 56 2HD LYS 56 9.958 26.330 8.238
458 HD3 LYS 56 1HD LYS 56 10.218 26.567 9.965
459 HE2 LYS 56 2HE LYS 56 11.577 28.127 8.677
460 HE3 LYS 56 1HE LYS 56 12.602 26.986 9.539
461 HZ1 LYS 56 3HZ LYS 56 12.881 25.739 7.481
462 HZ2 LYS 56 1HZ LYS 56 13.369 27.347 7.285
463 HZ3 LYS 56 2HZ LYS 56 11.890 26.838 6.655
464 HA PRO 57 HA PRO 57 6.868 20.650 11.718
465 HB2 PRO 57 2HB PRO 57 5.501 19.521 9.409
466 HB3 PRO 57 1HB PRO 57 4.893 20.776 10.506
467 HG2 PRO 57 2HG PRO 57 5.472 21.256 7.911
468 HG3 PRO 57 1HG PRO 57 5.583 22.485 9.189
469 HD2 PRO 57 2HD PRO 57 7.767 20.884 7.937
470 HD3 PRO 57 1HD PRO 57 7.735 22.604 8.382
471 HA PRO 58 HA PRO 58 9.627 17.069 11.251
472 HB2 PRO 58 2HB PRO 58 7.942 16.085 13.516
473 HB3 PRO 58 1HB PRO 58 9.712 16.207 13.407
474 HG2 PRO 58 2HG PRO 58 8.375 17.903 14.894
475 HG3 PRO 58 1HG PRO 58 9.764 18.427 13.922
476 HD2 PRO 58 2HD PRO 58 6.863 18.849 13.416
477 HD3 PRO 58 1HD PRO 58 8.244 19.926 13.114
478 H VAL 59 H VAL 59 9.056 15.983 9.411
479 HA VAL 59 HA VAL 59 6.310 15.185 8.978
480 HB VAL 59 HB VAL 59 7.724 16.222 7.224
481 HG11 VAL 59 1HG1 VAL 59 9.305 14.818 5.975
482 HG12 VAL 59 2HG1 VAL 59 9.228 13.644 7.298
483 HG13 VAL 59 3HG1 VAL 59 9.839 15.266 7.593
484 HG21 VAL 59 3HG2 VAL 59 5.776 15.075 6.433
485 HG22 VAL 59 1HG2 VAL 59 6.575 13.508 6.696
486 HG23 VAL 59 2HG2 VAL 59 7.160 14.540 5.437
487 H TRP 60 H TRP 60 5.412 13.253 9.005
488 HA TRP 60 HA TRP 60 7.191 11.084 9.659
489 HB2 TRP 60 2HB TRP 60 4.172 10.994 9.258
490 HB3 TRP 60 1HB TRP 60 5.176 9.762 10.018
491 HD1 TRP 60 HD1 TRP 60 4.171 13.377 10.610
492 HE1 TRP 60 HE1 TRP 60 3.893 13.799 13.169
493 HE3 TRP 60 HE3 TRP 60 5.654 8.832 12.304
494 HZ2 TRP 60 HZ2 TRP 60 4.280 12.356 15.554
495 HZ3 TRP 60 HZ3 TRP 60 5.693 8.427 14.741
496 HH2 TRP 60 HH2 TRP 60 5.024 10.148 16.318
497 H ASP 61 H ASP 61 8.242 10.713 8.050
498 HA ASP 61 HA ASP 61 7.237 9.913 5.501
499 HB2 ASP 61 2HB ASP 61 7.485 12.452 5.358
500 HB3 ASP 61 1HB ASP 61 9.174 12.252 5.789
501 H LEU 62 H LEU 62 9.617 9.871 4.418
502 HA LEU 62 HA LEU 62 11.096 8.226 6.348
503 HB2 LEU 62 2HB LEU 62 11.171 6.401 4.654
504 HB3 LEU 62 1HB LEU 62 9.637 6.908 5.368
505 HG LEU 62 HG LEU 62 8.840 7.882 3.338
506 HD11 LEU 62 1HD1 LEU 62 10.833 8.934 2.526
507 HD12 LEU 62 2HD1 LEU 62 10.123 7.929 1.259
508 HD13 LEU 62 3HD1 LEU 62 11.540 7.368 2.154
509 HD21 LEU 62 3HD2 LEU 62 10.177 5.305 2.582
510 HD22 LEU 62 1HD2 LEU 62 8.767 6.015 1.813
511 HD23 LEU 62 2HD2 LEU 62 8.672 5.418 3.477
512 H MET 63 H MET 63 12.921 7.084 4.472
513 HA MET 63 HA MET 63 14.529 9.413 3.790
514 HB2 MET 63 2HB MET 63 15.481 7.882 5.557
515 HB3 MET 63 1HB MET 63 15.329 6.551 4.426
516 HG2 MET 63 2HG MET 63 17.614 7.300 4.491
517 HG3 MET 63 1HG MET 63 16.914 7.659 2.916
518 HE1 MET 63 3HE MET 63 16.323 9.681 6.283
519 HE2 MET 63 1HE MET 63 17.640 10.846 6.190
520 HE3 MET 63 2HE MET 63 17.996 9.131 6.399
521 H GLU 64 H GLU 64 13.584 6.015 3.126
522 HA GLU 64 HA GLU 64 12.500 6.264 0.741
523 HB2 GLU 64 2HB GLU 64 14.887 6.912 0.200
524 HB3 GLU 64 1HB GLU 64 15.323 5.258 0.603
525 HG2 GLU 64 2HG GLU 64 15.036 5.628 -1.897
526 HG3 GLU 64 1HG GLU 64 13.992 4.373 -1.233
Start of MODEL 4
1 HA MET 1 HA MET 1 11.044 -11.856 1.851
2 HB2 MET 1 2HB MET 1 9.936 -9.039 2.092
3 HB3 MET 1 1HB MET 1 11.357 -9.482 1.161
4 HG2 MET 1 2HG MET 1 8.526 -10.362 0.652
5 HG3 MET 1 1HG MET 1 9.460 -9.208 -0.297
6 HE1 MET 1 2HE MET 1 11.471 -9.851 -1.882
7 HE2 MET 1 3HE MET 1 12.161 -11.470 -1.987
8 HE3 MET 1 1HE MET 1 12.334 -10.531 -0.504
9 H SER 2 H SER 2 12.936 -9.972 2.332
10 HA SER 2 HA SER 2 13.661 -10.471 5.017
11 HB2 SER 2 2HB SER 2 14.900 -8.593 2.990
12 HB3 SER 2 1HB SER 2 15.690 -9.327 4.390
13 HG SER 2 HG SER 2 16.254 -10.738 2.905
14 H ALA 3 H ALA 3 12.237 -9.504 6.346
15 HA ALA 3 HA ALA 3 11.335 -7.961 7.684
16 HB1 ALA 3 1HB ALA 3 12.092 -5.634 7.733
17 HB2 ALA 3 2HB ALA 3 12.922 -5.851 6.192
18 HB3 ALA 3 3HB ALA 3 13.482 -6.716 7.623
19 H GLU 4 H GLU 4 9.297 -7.653 7.555
20 HA GLU 4 HA GLU 4 8.049 -7.243 5.057
21 HB2 GLU 4 2HB GLU 4 7.014 -7.642 7.794
22 HB3 GLU 4 1HB GLU 4 5.928 -7.267 6.453
23 HG2 GLU 4 2HG GLU 4 7.735 -9.660 6.750
24 HG3 GLU 4 1HG GLU 4 5.970 -9.646 6.668
25 H THR 5 H THR 5 9.527 -5.046 6.473
26 HA THR 5 HA THR 5 7.813 -2.883 6.999
27 HB THR 5 HB THR 5 10.200 -2.778 7.598
28 HG1 THR 5 HG1 THR 5 8.835 -0.860 6.409
29 HG21 THR 5 3HG2 THR 5 10.713 -2.568 4.622
30 HG22 THR 5 1HG2 THR 5 11.156 -3.929 5.653
31 HG23 THR 5 2HG2 THR 5 11.927 -2.358 5.882
32 H GLN 6 H GLN 6 8.503 -4.435 4.126
33 HA GLN 6 HA GLN 6 7.984 -2.511 2.170
34 HB2 GLN 6 2HB GLN 6 7.226 -4.501 0.801
35 HB3 GLN 6 1HB GLN 6 8.863 -4.558 1.452
36 HG2 GLN 6 2HG GLN 6 8.296 -6.185 3.045
37 HG3 GLN 6 1HG GLN 6 6.569 -5.895 2.853
38 HE21 GLN 6 2HE2 GLN 6 6.715 -8.856 0.986
39 HE22 GLN 6 1HE2 GLN 6 6.363 -8.213 2.541
40 H MET 7 H MET 7 5.869 -4.053 4.456
41 HA MET 7 HA MET 7 3.458 -3.670 2.973
42 HB2 MET 7 2HB MET 7 3.864 -4.059 5.950
43 HB3 MET 7 1HB MET 7 2.305 -4.072 5.143
44 HG2 MET 7 2HG MET 7 4.546 -6.043 4.762
45 HG3 MET 7 1HG MET 7 3.021 -6.328 5.598
46 HE1 MET 7 3HE MET 7 4.055 -8.306 3.408
47 HE2 MET 7 1HE MET 7 2.597 -8.577 2.454
48 HE3 MET 7 2HE MET 7 2.495 -8.483 4.211
49 H GLU 8 H GLU 8 4.941 -2.078 5.671
50 HA GLU 8 HA GLU 8 3.244 0.101 5.856
51 HB2 GLU 8 2HB GLU 8 6.181 -0.057 6.538
52 HB3 GLU 8 1HB GLU 8 5.084 1.240 6.987
53 HG2 GLU 8 2HG GLU 8 5.390 -0.163 8.902
54 HG3 GLU 8 1HG GLU 8 3.761 -0.392 8.273
55 H ARG 9 H ARG 9 6.112 -0.455 3.944
56 HA ARG 9 HA ARG 9 6.314 2.187 2.963
57 HB2 ARG 9 2HB ARG 9 7.260 -0.380 1.706
58 HB3 ARG 9 1HB ARG 9 7.547 1.198 0.992
59 HG2 ARG 9 2HG ARG 9 8.512 0.256 3.678
60 HG3 ARG 9 1HG ARG 9 9.485 0.451 2.219
61 HD2 ARG 9 2HD ARG 9 8.072 2.646 3.747
62 HD3 ARG 9 1HD ARG 9 9.796 2.341 3.697
63 HE ARG 9 HE ARG 9 8.224 3.243 1.359
64 HH11 ARG 9 1HH1 ARG 9 11.330 3.179 3.174
65 HH12 ARG 9 2HH1 ARG 9 12.017 4.315 2.086
66 HH21 ARG 9 2HH2 ARG 9 10.875 5.214 0.348
67 HH22 ARG 9 1HH2 ARG 9 9.237 4.752 0.033
68 H LYS 10 H LYS 10 4.401 -0.492 1.847
69 HA LYS 10 HA LYS 10 3.569 0.815 -0.519
70 HB2 LYS 10 2HB LYS 10 2.223 -1.329 1.110
71 HB3 LYS 10 1HB LYS 10 1.573 -0.728 -0.402
72 HG2 LYS 10 2HG LYS 10 3.570 -1.512 -1.582
73 HG3 LYS 10 1HG LYS 10 4.234 -2.104 -0.057
74 HD2 LYS 10 2HD LYS 10 1.571 -3.012 -1.143
75 HD3 LYS 10 1HD LYS 10 3.082 -3.831 -1.523
76 HE2 LYS 10 2HE LYS 10 2.207 -3.354 1.329
77 HE3 LYS 10 1HE LYS 10 1.705 -4.794 0.426
78 HZ1 LYS 10 3HZ LYS 10 4.451 -3.916 1.101
79 HZ2 LYS 10 1HZ LYS 10 4.098 -5.275 0.137
80 HZ3 LYS 10 2HZ LYS 10 3.601 -5.233 1.748
81 H ILE 11 H ILE 11 2.229 0.854 2.800
82 HA ILE 11 HA ILE 11 -0.032 2.302 1.855
83 HB ILE 11 HB ILE 11 -0.629 2.524 4.189
84 HG12 ILE 11 2HG1 ILE 11 2.027 1.183 4.646
85 HG13 ILE 11 1HG1 ILE 11 1.452 2.697 5.318
86 HG21 ILE 11 1HG2 ILE 11 0.270 -0.193 3.310
87 HG22 ILE 11 2HG2 ILE 11 -1.286 0.551 2.899
88 HG23 ILE 11 3HG2 ILE 11 -0.939 0.057 4.574
89 HD11 ILE 11 3HD1 ILE 11 0.488 -0.035 5.938
90 HD12 ILE 11 1HD1 ILE 11 -0.178 1.437 6.668
91 HD13 ILE 11 2HD1 ILE 11 1.511 0.971 6.979
92 H ILE 12 H ILE 12 2.962 3.120 3.511
93 HA ILE 12 HA ILE 12 2.051 5.791 3.756
94 HB ILE 12 HB ILE 12 3.978 6.384 4.823
95 HG12 ILE 12 2HG1 ILE 12 5.988 4.463 4.600
96 HG13 ILE 12 1HG1 ILE 12 5.297 4.579 2.998
97 HG21 ILE 12 1HG2 ILE 12 2.833 4.840 6.203
98 HG22 ILE 12 2HG2 ILE 12 4.571 4.673 6.458
99 HG23 ILE 12 3HG2 ILE 12 3.706 3.485 5.486
100 HD11 ILE 12 3HD1 ILE 12 7.124 6.210 3.119
101 HD12 ILE 12 1HD1 ILE 12 6.355 6.983 4.510
102 HD13 ILE 12 2HD1 ILE 12 5.573 7.041 2.961
103 H ASP 13 H ASP 13 3.805 3.988 1.237
104 HA ASP 13 HA ASP 13 4.863 6.430 0.233
105 HB2 ASP 13 2HB ASP 13 5.329 3.716 -0.383
106 HB3 ASP 13 1HB ASP 13 4.771 4.478 -1.871
107 H PHE 14 H PHE 14 2.000 4.568 -0.289
108 HA PHE 14 HA PHE 14 0.891 5.926 -2.434
109 HB2 PHE 14 2HB PHE 14 -0.190 3.977 -1.542
110 HB3 PHE 14 1HB PHE 14 -0.270 4.679 0.064
111 HD1 PHE 14 HD1 PHE 14 -1.644 4.892 -3.346
112 HD2 PHE 14 HD2 PHE 14 -2.062 5.951 0.721
113 HE1 PHE 14 HE1 PHE 14 -3.947 5.679 -3.807
114 HE2 PHE 14 HE2 PHE 14 -4.369 6.750 0.307
115 HZ PHE 14 HZ PHE 14 -5.311 6.610 -1.973
116 H LEU 15 H LEU 15 0.544 6.570 1.088
117 HA LEU 15 HA LEU 15 -0.714 9.002 0.813
118 HB2 LEU 15 2HB LEU 15 -1.130 8.292 2.767
119 HB3 LEU 15 1HB LEU 15 0.217 7.187 2.842
120 HG LEU 15 HG LEU 15 0.083 8.554 4.727
121 HD11 LEU 15 1HD1 LEU 15 2.314 9.621 4.877
122 HD12 LEU 15 2HD1 LEU 15 2.489 9.357 3.141
123 HD13 LEU 15 3HD1 LEU 15 2.312 7.981 4.227
124 HD21 LEU 15 3HD2 LEU 15 0.252 10.948 2.949
125 HD22 LEU 15 1HD2 LEU 15 0.452 11.036 4.703
126 HD23 LEU 15 2HD2 LEU 15 -1.081 10.488 4.024
127 H ARG 16 H ARG 16 2.587 8.125 0.783
128 HA ARG 16 HA ARG 16 3.749 10.590 1.330
129 HB2 ARG 16 2HB ARG 16 4.896 8.452 1.345
130 HB3 ARG 16 1HB ARG 16 4.731 8.367 -0.406
131 HG2 ARG 16 2HG ARG 16 6.204 9.966 -0.798
132 HG3 ARG 16 1HG ARG 16 5.895 10.740 0.762
133 HD2 ARG 16 2HD ARG 16 7.973 9.780 1.170
134 HD3 ARG 16 1HD ARG 16 6.826 8.515 1.646
135 HE ARG 16 HE ARG 16 7.251 7.661 -0.742
136 HH11 ARG 16 1HH1 ARG 16 9.652 8.999 1.542
137 HH12 ARG 16 2HH1 ARG 16 10.945 8.173 0.775
138 HH21 ARG 16 2HH2 ARG 16 10.582 6.799 -1.032
139 HH22 ARG 16 1HH2 ARG 16 8.972 6.602 -1.682
140 H GLN 17 H GLN 17 2.907 9.027 -1.537
141 HA GLN 17 HA GLN 17 3.604 11.085 -3.379
142 HB2 GLN 17 2HB GLN 17 1.415 9.026 -3.774
143 HB3 GLN 17 1HB GLN 17 2.111 10.024 -5.031
144 HG2 GLN 17 2HG GLN 17 3.392 7.745 -3.542
145 HG3 GLN 17 1HG GLN 17 3.018 7.845 -5.257
146 HE21 GLN 17 2HE2 GLN 17 6.500 9.189 -3.810
147 HE22 GLN 17 1HE2 GLN 17 5.276 8.489 -2.808
148 H ASN 18 H ASN 18 0.771 10.558 -1.387
149 HA ASN 18 HA ASN 18 -0.756 12.665 -2.639
150 HB2 ASN 18 2HB ASN 18 -1.166 11.478 0.131
151 HB3 ASN 18 1HB ASN 18 -2.356 12.333 -0.839
152 HD21 ASN 18 2HD2 ASN 18 -2.097 9.253 -3.086
153 HD22 ASN 18 1HD2 ASN 18 -1.456 10.853 -3.284
154 H GLY 19 H GLY 19 1.258 12.204 0.127
155 HA2 GLY 19 2HA GLY 19 2.666 14.396 0.339
156 HA3 GLY 19 1HA GLY 19 1.116 14.969 0.948
157 H LYS 20 H LYS 20 3.736 12.544 1.524
158 HA LYS 20 HA LYS 20 3.176 11.450 3.846
159 HB2 LYS 20 2HB LYS 20 5.657 12.017 4.444
160 HB3 LYS 20 1HB LYS 20 5.255 10.894 3.160
161 HG2 LYS 20 2HG LYS 20 7.085 12.388 2.524
162 HG3 LYS 20 1HG LYS 20 5.681 12.610 1.489
163 HD2 LYS 20 2HD LYS 20 5.181 14.696 2.457
164 HD3 LYS 20 1HD LYS 20 6.254 14.443 3.824
165 HE2 LYS 20 2HE LYS 20 7.140 14.694 0.946
166 HE3 LYS 20 1HE LYS 20 7.155 16.010 2.118
167 HZ1 LYS 20 3HZ LYS 20 8.781 15.012 3.358
168 HZ2 LYS 20 1HZ LYS 20 9.333 14.830 1.814
169 HZ3 LYS 20 2HZ LYS 20 8.699 13.480 2.622
170 H SER 21 H SER 21 3.607 11.891 6.150
171 HA SER 21 HA SER 21 3.468 14.439 7.239
172 HB2 SER 21 2HB SER 21 0.888 13.383 6.125
173 HB3 SER 21 1HB SER 21 0.834 14.385 7.553
174 HG SER 21 HG SER 21 2.170 15.135 5.180
175 H ILE 22 H ILE 22 1.448 14.025 9.187
176 HA ILE 22 HA ILE 22 2.787 12.123 10.844
177 HB ILE 22 HB ILE 22 1.212 12.859 12.595
178 HG12 ILE 22 2HG1 ILE 22 0.082 14.686 10.448
179 HG13 ILE 22 1HG1 ILE 22 -0.743 13.287 11.122
180 HG21 ILE 22 1HG2 ILE 22 2.542 15.100 11.075
181 HG22 ILE 22 2HG2 ILE 22 3.298 14.063 12.286
182 HG23 ILE 22 3HG2 ILE 22 2.016 15.181 12.757
183 HD11 ILE 22 3HD1 ILE 22 0.048 15.774 12.628
184 HD12 ILE 22 1HD1 ILE 22 -0.783 14.378 13.313
185 HD13 ILE 22 2HD1 ILE 22 -1.576 15.360 12.080
186 H ALA 23 H ALA 23 1.344 10.805 12.321
187 HA ALA 23 HA ALA 23 0.386 8.593 10.988
188 HB1 ALA 23 1HB ALA 23 1.175 8.671 13.316
189 HB2 ALA 23 2HB ALA 23 -0.348 7.802 13.126
190 HB3 ALA 23 3HB ALA 23 -0.342 9.442 13.776
191 H LEU 24 H LEU 24 -1.382 11.423 12.062
192 HA LEU 24 HA LEU 24 -3.965 10.237 11.946
193 HB2 LEU 24 2HB LEU 24 -3.343 12.226 13.350
194 HB3 LEU 24 1HB LEU 24 -3.166 13.165 11.894
195 HG LEU 24 HG LEU 24 -5.254 13.607 13.219
196 HD11 LEU 24 1HD1 LEU 24 -5.725 12.658 10.405
197 HD12 LEU 24 2HD1 LEU 24 -5.192 14.265 10.896
198 HD13 LEU 24 3HD1 LEU 24 -6.802 13.698 11.339
199 HD21 LEU 24 3HD2 LEU 24 -6.059 10.863 12.267
200 HD22 LEU 24 1HD2 LEU 24 -7.110 12.023 13.075
201 HD23 LEU 24 2HD2 LEU 24 -5.734 11.331 13.935
202 H THR 25 H THR 25 -1.866 11.960 9.707
203 HA THR 25 HA THR 25 -3.834 12.437 7.769
204 HB THR 25 HB THR 25 -0.882 12.130 7.364
205 HG1 THR 25 HG1 THR 25 -2.479 14.195 8.455
206 HG21 THR 25 3HG2 THR 25 -3.020 13.753 5.966
207 HG22 THR 25 1HG2 THR 25 -2.409 12.190 5.450
208 HG23 THR 25 2HG2 THR 25 -1.320 13.594 5.454
209 H ILE 26 H ILE 26 -1.222 10.060 8.068
210 HA ILE 26 HA ILE 26 -1.617 8.601 5.789
211 HB ILE 26 HB ILE 26 -0.992 7.188 8.415
212 HG12 ILE 26 2HG1 ILE 26 0.904 8.716 6.560
213 HG13 ILE 26 1HG1 ILE 26 0.451 9.226 8.175
214 HG21 ILE 26 1HG2 ILE 26 -0.300 6.695 5.538
215 HG22 ILE 26 2HG2 ILE 26 -1.448 5.802 6.531
216 HG23 ILE 26 3HG2 ILE 26 0.287 5.723 6.903
217 HD11 ILE 26 3HD1 ILE 26 1.572 7.269 9.105
218 HD12 ILE 26 1HD1 ILE 26 2.666 8.251 8.132
219 HD13 ILE 26 2HD1 ILE 26 2.010 6.751 7.477
220 H ALA 27 H ALA 27 -3.222 8.138 8.877
221 HA ALA 27 HA ALA 27 -4.833 5.976 8.220
222 HB1 ALA 27 1HB ALA 27 -4.473 6.819 10.466
223 HB2 ALA 27 2HB ALA 27 -6.195 6.648 10.107
224 HB3 ALA 27 3HB ALA 27 -5.438 8.248 10.098
225 H LYS 28 H LYS 28 -5.434 9.514 7.761
226 HA LYS 28 HA LYS 28 -8.048 9.280 6.896
227 HB2 LYS 28 2HB LYS 28 -6.272 11.205 7.666
228 HB3 LYS 28 1HB LYS 28 -6.382 11.476 5.941
229 HG2 LYS 28 2HG LYS 28 -8.599 11.277 7.832
230 HG3 LYS 28 1HG LYS 28 -7.892 12.814 7.329
231 HD2 LYS 28 2HD LYS 28 -9.294 10.832 5.466
232 HD3 LYS 28 1HD LYS 28 -10.075 12.257 6.131
233 HE2 LYS 28 2HE LYS 28 -9.461 12.801 3.881
234 HE3 LYS 28 1HE LYS 28 -8.323 13.644 4.915
235 HZ1 LYS 28 3HZ LYS 28 -7.276 12.508 2.919
236 HZ2 LYS 28 1HZ LYS 28 -7.686 11.040 3.590
237 HZ3 LYS 28 2HZ LYS 28 -6.594 12.105 4.313
238 H GLU 29 H GLU 29 -4.921 9.113 5.285
239 HA GLU 29 HA GLU 29 -6.094 9.532 2.698
240 HB2 GLU 29 2HB GLU 29 -3.302 8.537 3.234
241 HB3 GLU 29 1HB GLU 29 -3.894 9.351 1.796
242 HG2 GLU 29 2HG GLU 29 -3.215 10.462 4.478
243 HG3 GLU 29 1HG GLU 29 -2.658 10.972 2.892
244 H ILE 30 H ILE 30 -5.006 6.852 4.601
245 HA ILE 30 HA ILE 30 -5.492 5.090 2.320
246 HB ILE 30 HB ILE 30 -4.582 3.240 3.673
247 HG12 ILE 30 2HG1 ILE 30 -4.053 5.383 5.745
248 HG13 ILE 30 1HG1 ILE 30 -5.162 4.038 5.930
249 HG21 ILE 30 1HG2 ILE 30 -2.236 4.011 3.665
250 HG22 ILE 30 2HG2 ILE 30 -2.805 5.669 3.470
251 HG23 ILE 30 3HG2 ILE 30 -3.111 4.477 2.207
252 HD11 ILE 30 3HD1 ILE 30 -2.161 3.874 5.688
253 HD12 ILE 30 1HD1 ILE 30 -3.246 2.490 5.816
254 HD13 ILE 30 2HD1 ILE 30 -3.115 3.633 7.152
255 H GLY 31 H GLY 31 -7.146 6.267 4.934
256 HA2 GLY 31 2HA GLY 31 -9.324 5.933 5.570
257 HA3 GLY 31 1HA GLY 31 -9.457 4.708 4.315
258 H LEU 32 H LEU 32 -6.991 4.563 6.736
259 HA LEU 32 HA LEU 32 -8.378 2.203 7.805
260 HB2 LEU 32 2HB LEU 32 -5.378 2.573 7.770
261 HB3 LEU 32 1HB LEU 32 -6.249 1.158 8.301
262 HG LEU 32 HG LEU 32 -5.759 2.125 5.506
263 HD11 LEU 32 1HD1 LEU 32 -4.898 -0.106 5.159
264 HD12 LEU 32 2HD1 LEU 32 -5.285 -0.516 6.827
265 HD13 LEU 32 3HD1 LEU 32 -4.070 0.713 6.486
266 HD21 LEU 32 3HD2 LEU 32 -7.237 0.369 4.668
267 HD22 LEU 32 1HD2 LEU 32 -8.079 1.633 5.559
268 HD23 LEU 32 2HD2 LEU 32 -7.798 0.057 6.326
269 H ASP 33 H ASP 33 -7.327 1.596 9.990
270 HA ASP 33 HA ASP 33 -8.117 3.611 11.777
271 HB2 ASP 33 2HB ASP 33 -8.558 1.427 12.490
272 HB3 ASP 33 1HB ASP 33 -6.907 0.898 12.185
273 H LYS 34 H LYS 34 -7.137 4.971 12.909
274 HA LYS 34 HA LYS 34 -4.592 5.994 12.369
275 HB2 LYS 34 2HB LYS 34 -4.911 7.528 14.229
276 HB3 LYS 34 1HB LYS 34 -6.397 7.383 13.309
277 HG2 LYS 34 2HG LYS 34 -5.955 5.786 15.831
278 HG3 LYS 34 1HG LYS 34 -6.547 7.441 15.888
279 HD2 LYS 34 2HD LYS 34 -8.531 6.830 14.655
280 HD3 LYS 34 1HD LYS 34 -7.891 5.224 14.324
281 HE2 LYS 34 2HE LYS 34 -8.454 6.231 17.106
282 HE3 LYS 34 1HE LYS 34 -9.627 5.341 16.139
283 HZ1 LYS 34 3HZ LYS 34 -8.491 3.775 17.551
284 HZ2 LYS 34 1HZ LYS 34 -6.956 4.281 17.028
285 HZ3 LYS 34 2HZ LYS 34 -7.998 3.538 15.967
286 H SER 35 H SER 35 -5.460 3.511 14.703
287 HA SER 35 HA SER 35 -3.079 4.063 16.260
288 HB2 SER 35 2HB SER 35 -5.260 1.981 16.604
289 HB3 SER 35 1HB SER 35 -3.961 2.300 17.757
290 HG SER 35 HG SER 35 -4.865 4.091 18.359
291 H THR 36 H THR 36 -4.362 1.990 13.845
292 HA THR 36 HA THR 36 -2.498 0.038 13.786
293 HB THR 36 HB THR 36 -4.448 1.354 11.969
294 HG1 THR 36 HG1 THR 36 -5.406 0.205 13.502
295 HG21 THR 36 3HG2 THR 36 -4.186 -0.466 10.432
296 HG22 THR 36 1HG2 THR 36 -2.806 -1.076 11.399
297 HG23 THR 36 2HG2 THR 36 -2.724 0.537 10.634
298 H VAL 37 H VAL 37 -2.729 3.221 11.939
299 HA VAL 37 HA VAL 37 -0.327 3.047 10.610
300 HB VAL 37 HB VAL 37 -1.721 5.381 11.843
301 HG11 VAL 37 1HG1 VAL 37 0.252 5.345 9.551
302 HG12 VAL 37 2HG1 VAL 37 0.580 5.851 11.208
303 HG13 VAL 37 3HG1 VAL 37 -0.549 6.776 10.232
304 HG21 VAL 37 3HG2 VAL 37 -3.208 4.205 10.352
305 HG22 VAL 37 1HG2 VAL 37 -1.981 4.201 9.084
306 HG23 VAL 37 2HG2 VAL 37 -2.716 5.719 9.593
307 H ASN 38 H ASN 38 -1.065 4.454 13.800
308 HA ASN 38 HA ASN 38 1.461 5.333 14.499
309 HB2 ASN 38 2HB ASN 38 -0.869 4.446 16.141
310 HB3 ASN 38 1HB ASN 38 0.675 4.700 16.939
311 HD21 ASN 38 2HD2 ASN 38 -1.521 7.843 15.694
312 HD22 ASN 38 1HD2 ASN 38 -1.962 6.231 15.232
313 H ARG 39 H ARG 39 0.076 2.117 15.038
314 HA ARG 39 HA ARG 39 2.050 0.884 16.471
315 HB2 ARG 39 2HB ARG 39 -0.081 -0.067 16.057
316 HB3 ARG 39 1HB ARG 39 0.154 0.018 14.321
317 HG2 ARG 39 2HG ARG 39 2.071 -1.442 14.659
318 HG3 ARG 39 1HG ARG 39 1.459 -1.786 16.282
319 HD2 ARG 39 2HD ARG 39 0.172 -2.286 13.601
320 HD3 ARG 39 1HD ARG 39 0.563 -3.513 14.814
321 HE ARG 39 HE ARG 39 -1.195 -2.264 16.177
322 HH11 ARG 39 1HH1 ARG 39 -1.318 -2.727 12.635
323 HH12 ARG 39 2HH1 ARG 39 -2.999 -2.529 12.529
324 HH21 ARG 39 2HH2 ARG 39 -4.292 -2.049 14.430
325 HH22 ARG 39 1HH2 ARG 39 -3.594 -1.980 15.977
326 H HIS 40 H HIS 40 1.557 1.071 13.057
327 HA HIS 40 HA HIS 40 3.805 -0.519 12.408
328 HB2 HIS 40 2HB HIS 40 1.955 1.138 10.760
329 HB3 HIS 40 1HB HIS 40 3.342 0.348 10.031
330 HD1 HIS 40 HD1 HIS 40 3.086 -2.311 9.653
331 HD2 HIS 40 HD2 HIS 40 -0.048 -0.565 11.789
332 HE1 HIS 40 HE1 HIS 40 1.331 -4.066 9.893
333 H LEU 41 H LEU 41 3.384 2.902 12.635
334 HA LEU 41 HA LEU 41 5.964 3.413 11.458
335 HB2 LEU 41 2HB LEU 41 5.605 5.777 12.057
336 HB3 LEU 41 1HB LEU 41 4.315 5.097 11.095
337 HG LEU 41 HG LEU 41 3.136 4.784 13.385
338 HD11 LEU 41 1HD1 LEU 41 4.968 5.384 14.830
339 HD12 LEU 41 2HD1 LEU 41 3.614 6.494 15.026
340 HD13 LEU 41 3HD1 LEU 41 5.035 6.993 14.107
341 HD21 LEU 41 3HD2 LEU 41 3.468 7.478 12.150
342 HD22 LEU 41 1HD2 LEU 41 2.126 6.903 13.160
343 HD23 LEU 41 2HD2 LEU 41 2.440 6.145 11.585
344 H TYR 42 H TYR 42 4.706 2.855 14.699
345 HA TYR 42 HA TYR 42 6.741 3.847 16.121
346 HB2 TYR 42 2HB TYR 42 4.706 1.789 16.230
347 HB3 TYR 42 1HB TYR 42 5.922 1.672 17.428
348 HD1 TYR 42 HD1 TYR 42 3.173 1.880 18.137
349 HD2 TYR 42 HD2 TYR 42 5.816 5.061 17.205
350 HE1 TYR 42 HE1 TYR 42 1.732 3.441 19.406
351 HE2 TYR 42 HE2 TYR 42 4.405 6.626 18.460
352 HH TYR 42 HH TYR 42 2.006 6.773 19.160
353 H ASN 43 H ASN 43 6.234 0.876 14.421
354 HA ASN 43 HA ASN 43 8.520 -0.577 15.285
355 HB2 ASN 43 2HB ASN 43 7.045 -0.807 12.649
356 HB3 ASN 43 1HB ASN 43 8.146 -1.999 13.319
357 HD21 ASN 43 2HD2 ASN 43 4.525 -2.753 13.941
358 HD22 ASN 43 1HD2 ASN 43 5.353 -2.203 12.524
359 H LEU 44 H LEU 44 7.826 1.469 12.519
360 HA LEU 44 HA LEU 44 10.304 0.998 11.230
361 HB2 LEU 44 2HB LEU 44 8.514 3.358 10.770
362 HB3 LEU 44 1HB LEU 44 9.705 2.690 9.709
363 HG LEU 44 HG LEU 44 7.124 1.349 10.446
364 HD11 LEU 44 1HD1 LEU 44 6.553 1.768 8.119
365 HD12 LEU 44 2HD1 LEU 44 8.053 2.674 7.912
366 HD13 LEU 44 3HD1 LEU 44 6.808 3.262 9.017
367 HD21 LEU 44 3HD2 LEU 44 9.299 0.504 8.529
368 HD22 LEU 44 1HD2 LEU 44 7.734 -0.285 8.723
369 HD23 LEU 44 2HD2 LEU 44 8.890 -0.287 10.051
370 H GLN 45 H GLN 45 9.161 3.440 13.487
371 HA GLN 45 HA GLN 45 11.266 5.251 13.075
372 HB2 GLN 45 2HB GLN 45 9.227 5.840 14.235
373 HB3 GLN 45 1HB GLN 45 9.660 4.779 15.560
374 HG2 GLN 45 2HG GLN 45 11.422 6.101 16.271
375 HG3 GLN 45 1HG GLN 45 11.533 6.950 14.731
376 HE21 GLN 45 2HE2 GLN 45 9.204 9.324 15.479
377 HE22 GLN 45 1HE2 GLN 45 10.179 8.560 14.296
378 H ARG 46 H ARG 46 10.820 2.631 15.453
379 HA ARG 46 HA ARG 46 13.242 2.723 16.726
380 HB2 ARG 46 2HB ARG 46 10.964 0.986 16.307
381 HB3 ARG 46 1HB ARG 46 12.459 0.114 16.595
382 HG2 ARG 46 2HG ARG 46 11.055 0.624 18.560
383 HG3 ARG 46 1HG ARG 46 12.787 1.076 18.584
384 HD2 ARG 46 2HD ARG 46 11.372 2.786 19.677
385 HD3 ARG 46 1HD ARG 46 12.185 3.421 18.265
386 HE ARG 46 HE ARG 46 9.587 2.499 17.610
387 HH11 ARG 46 1HH1 ARG 46 11.308 5.192 19.160
388 HH12 ARG 46 2HH1 ARG 46 10.080 6.334 18.844
389 HH21 ARG 46 2HH2 ARG 46 8.103 5.694 17.785
390 HH22 ARG 46 1HH2 ARG 46 7.887 4.069 17.287
391 H SER 47 H SER 47 12.275 1.275 13.729
392 HA SER 47 HA SER 47 14.788 -0.073 13.361
393 HB2 SER 47 2HB SER 47 12.688 -1.152 12.676
394 HB3 SER 47 1HB SER 47 12.384 0.155 11.537
395 HG SER 47 HG SER 47 14.652 -0.566 10.791
396 H ASN 48 H ASN 48 13.877 3.214 12.903
397 HA ASN 48 HA ASN 48 14.765 4.895 11.834
398 HB2 ASN 48 2HB ASN 48 16.909 2.873 11.383
399 HB3 ASN 48 1HB ASN 48 17.081 4.485 10.675
400 HD21 ASN 48 2HD2 ASN 48 16.965 4.457 14.759
401 HD22 ASN 48 1HD2 ASN 48 15.705 3.694 13.850
402 H GLN 49 H GLN 49 12.875 3.157 10.561
403 HA GLN 49 HA GLN 49 13.658 3.439 7.744
404 HB2 GLN 49 2HB GLN 49 12.880 1.149 8.865
405 HB3 GLN 49 1HB GLN 49 11.275 1.820 8.662
406 HG2 GLN 49 2HG GLN 49 13.229 1.466 6.387
407 HG3 GLN 49 1HG GLN 49 12.059 0.246 6.858
408 HE21 GLN 49 2HE2 GLN 49 9.415 2.733 5.889
409 HE22 GLN 49 1HE2 GLN 49 9.929 2.047 7.391
410 H VAL 50 H VAL 50 11.722 4.559 10.292
411 HA VAL 50 HA VAL 50 10.786 6.632 8.562
412 HB VAL 50 HB VAL 50 8.873 4.788 9.069
413 HG11 VAL 50 1HG1 VAL 50 9.241 4.974 11.517
414 HG12 VAL 50 2HG1 VAL 50 7.555 5.249 11.033
415 HG13 VAL 50 3HG1 VAL 50 8.597 6.610 11.456
416 HG21 VAL 50 3HG2 VAL 50 7.183 6.570 8.875
417 HG22 VAL 50 1HG2 VAL 50 8.523 6.787 7.748
418 HG23 VAL 50 2HG2 VAL 50 8.437 7.766 9.211
419 H PHE 51 H PHE 51 10.742 8.368 9.603
420 HA PHE 51 HA PHE 51 10.590 8.743 12.343
421 HB2 PHE 51 2HB PHE 51 12.948 9.850 12.648
422 HB3 PHE 51 1HB PHE 51 12.821 8.098 12.697
423 HD1 PHE 51 HD1 PHE 51 14.161 6.820 11.483
424 HD2 PHE 51 HD2 PHE 51 13.659 10.863 10.324
425 HE1 PHE 51 HE1 PHE 51 15.902 6.511 9.851
426 HE2 PHE 51 HE2 PHE 51 15.440 10.601 8.632
427 HZ PHE 51 HZ PHE 51 16.580 8.422 8.381
428 H ASN 52 H ASN 52 11.534 11.274 12.692
429 HA ASN 52 HA ASN 52 9.881 12.593 10.715
430 HB2 ASN 52 2HB ASN 52 11.160 13.805 13.144
431 HB3 ASN 52 1HB ASN 52 9.961 14.545 12.119
432 HD21 ASN 52 2HD2 ASN 52 7.203 12.899 13.465
433 HD22 ASN 52 1HD2 ASN 52 7.784 13.879 12.178
434 H SER 53 H SER 53 10.641 14.255 9.424
435 HA SER 53 HA SER 53 13.509 14.412 9.357
436 HB2 SER 53 2HB SER 53 12.939 12.504 7.965
437 HB3 SER 53 1HB SER 53 11.821 13.491 7.032
438 HG SER 53 HG SER 53 14.009 13.118 6.180
439 H ASN 54 H ASN 54 14.093 16.189 9.128
440 HA ASN 54 HA ASN 54 14.716 18.314 8.543
441 HB2 ASN 54 2HB ASN 54 15.641 18.153 6.477
442 HB3 ASN 54 1HB ASN 54 15.149 16.494 6.884
443 HD21 ASN 54 2HD2 ASN 54 12.818 16.161 4.310
444 HD22 ASN 54 1HD2 ASN 54 13.473 15.482 5.759
445 H GLU 55 H GLU 55 11.431 17.821 7.394
446 HA GLU 55 HA GLU 55 11.565 20.425 6.216
447 HB2 GLU 55 2HB GLU 55 9.204 19.889 5.369
448 HB3 GLU 55 1HB GLU 55 10.548 18.990 4.699
449 HG2 GLU 55 2HG GLU 55 9.982 17.201 6.392
450 HG3 GLU 55 1HG GLU 55 8.454 18.067 6.628
451 H LYS 56 H LYS 56 9.031 21.428 6.515
452 HA LYS 56 HA LYS 56 9.633 22.366 9.116
453 HB2 LYS 56 2HB LYS 56 7.650 23.515 7.170
454 HB3 LYS 56 1HB LYS 56 7.932 24.182 8.775
455 HG2 LYS 56 2HG LYS 56 10.172 23.794 6.800
456 HG3 LYS 56 1HG LYS 56 9.183 25.243 6.803
457 HD2 LYS 56 2HD LYS 56 11.297 25.619 8.007
458 HD3 LYS 56 1HD LYS 56 9.933 25.765 9.093
459 HE2 LYS 56 2HE LYS 56 11.915 24.641 10.069
460 HE3 LYS 56 1HE LYS 56 10.494 23.637 10.159
461 HZ1 LYS 56 3HZ LYS 56 12.454 22.374 9.499
462 HZ2 LYS 56 1HZ LYS 56 12.733 23.357 8.160
463 HZ3 LYS 56 2HZ LYS 56 11.369 22.349 8.259
464 HA PRO 57 HA PRO 57 5.824 20.281 10.606
465 HB2 PRO 57 2HB PRO 57 4.863 18.498 8.501
466 HB3 PRO 57 1HB PRO 57 3.930 19.735 9.362
467 HG2 PRO 57 2HG PRO 57 4.509 19.925 6.734
468 HG3 PRO 57 1HG PRO 57 4.295 21.333 7.794
469 HD2 PRO 57 2HD PRO 57 6.829 20.087 6.830
470 HD3 PRO 57 1HD PRO 57 6.404 21.804 7.006
471 HA PRO 58 HA PRO 58 9.166 17.190 10.832
472 HB2 PRO 58 2HB PRO 58 7.455 16.087 13.013
473 HB3 PRO 58 1HB PRO 58 9.170 16.550 13.071
474 HG2 PRO 58 2HG PRO 58 7.355 18.060 14.244
475 HG3 PRO 58 1HG PRO 58 8.727 18.780 13.377
476 HD2 PRO 58 2HD PRO 58 5.878 18.566 12.522
477 HD3 PRO 58 1HD PRO 58 7.049 19.879 12.270
478 H VAL 59 H VAL 59 8.899 15.945 9.025
479 HA VAL 59 HA VAL 59 6.373 14.670 8.482
480 HB VAL 59 HB VAL 59 7.829 15.712 6.741
481 HG11 VAL 59 1HG1 VAL 59 9.989 14.916 7.417
482 HG12 VAL 59 2HG1 VAL 59 9.635 14.386 5.772
483 HG13 VAL 59 3HG1 VAL 59 9.497 13.251 7.117
484 HG21 VAL 59 3HG2 VAL 59 6.049 14.319 5.984
485 HG22 VAL 59 1HG2 VAL 59 6.969 12.867 6.428
486 HG23 VAL 59 2HG2 VAL 59 7.534 13.837 5.113
487 H TRP 60 H TRP 60 5.721 12.668 8.662
488 HA TRP 60 HA TRP 60 7.750 10.791 9.439
489 HB2 TRP 60 2HB TRP 60 4.734 10.455 9.233
490 HB3 TRP 60 1HB TRP 60 5.854 9.197 9.751
491 HD1 TRP 60 HD1 TRP 60 4.724 12.654 10.800
492 HE1 TRP 60 HE1 TRP 60 4.796 12.815 13.414
493 HE3 TRP 60 HE3 TRP 60 6.804 8.149 11.766
494 HZ2 TRP 60 HZ2 TRP 60 5.680 11.192 15.553
495 HZ3 TRP 60 HZ3 TRP 60 7.263 7.511 14.093
496 HH2 TRP 60 HH2 TRP 60 6.714 9.000 15.945
497 H ASP 61 H ASP 61 8.816 10.395 7.900
498 HA ASP 61 HA ASP 61 8.032 9.071 5.524
499 HB2 ASP 61 2HB ASP 61 7.507 11.482 4.949
500 HB3 ASP 61 1HB ASP 61 9.158 11.906 5.336
501 H LEU 62 H LEU 62 10.230 9.365 4.226
502 HA LEU 62 HA LEU 62 12.535 9.136 5.998
503 HB2 LEU 62 2HB LEU 62 11.424 6.998 5.554
504 HB3 LEU 62 1HB LEU 62 11.744 7.159 3.838
505 HG LEU 62 HG LEU 62 14.216 7.091 4.368
506 HD11 LEU 62 1HD1 LEU 62 14.918 6.291 6.556
507 HD12 LEU 62 2HD1 LEU 62 13.257 6.410 7.134
508 HD13 LEU 62 3HD1 LEU 62 14.133 7.865 6.657
509 HD21 LEU 62 3HD2 LEU 62 13.061 5.076 3.639
510 HD22 LEU 62 1HD2 LEU 62 12.625 4.711 5.308
511 HD23 LEU 62 2HD2 LEU 62 14.319 4.698 4.815
512 H MET 63 H MET 63 14.406 8.578 3.639
513 HA MET 63 HA MET 63 13.851 11.045 2.161
514 HB2 MET 63 2HB MET 63 15.997 11.006 3.387
515 HB3 MET 63 1HB MET 63 16.415 9.483 2.620
516 HG2 MET 63 2HG MET 63 17.631 11.256 1.566
517 HG3 MET 63 1HG MET 63 16.434 10.631 0.436
518 HE1 MET 63 3HE MET 63 16.616 14.410 -0.534
519 HE2 MET 63 1HE MET 63 16.714 12.747 -1.112
520 HE3 MET 63 2HE MET 63 17.944 13.372 -0.014
521 H GLU 64 H GLU 64 14.638 7.705 2.111
522 HA GLU 64 HA GLU 64 14.261 7.511 -0.726
523 HB2 GLU 64 2HB GLU 64 15.600 5.385 -0.434
524 HB3 GLU 64 1HB GLU 64 16.380 6.915 -0.008
525 HG2 GLU 64 2HG GLU 64 15.218 5.186 2.140
526 HG3 GLU 64 1HG GLU 64 16.829 4.880 1.500
Start of MODEL 5
1 HA MET 1 HA MET 1 13.856 -10.501 8.509
2 HB2 MET 1 2HB MET 1 13.606 -11.807 10.563
3 HB3 MET 1 1HB MET 1 12.089 -12.470 9.978
4 HG2 MET 1 2HG MET 1 13.289 -13.586 8.151
5 HG3 MET 1 1HG MET 1 14.807 -12.929 8.755
6 HE1 MET 1 2HE MET 1 15.164 -14.789 12.209
7 HE2 MET 1 3HE MET 1 14.420 -13.212 11.955
8 HE3 MET 1 1HE MET 1 15.902 -13.638 11.099
9 H SER 2 H SER 2 10.346 -11.306 8.401
10 HA SER 2 HA SER 2 10.685 -12.575 5.817
11 HB2 SER 2 2HB SER 2 8.273 -12.268 7.606
12 HB3 SER 2 1HB SER 2 8.446 -13.377 6.240
13 HG SER 2 HG SER 2 8.850 -14.433 8.214
14 H ALA 3 H ALA 3 10.989 -9.694 6.136
15 HA ALA 3 HA ALA 3 10.417 -7.689 5.267
16 HB1 ALA 3 1HB ALA 3 9.581 -7.635 2.980
17 HB2 ALA 3 2HB ALA 3 9.019 -9.300 3.116
18 HB3 ALA 3 3HB ALA 3 10.746 -8.951 3.138
19 H GLU 4 H GLU 4 9.133 -8.038 7.292
20 HA GLU 4 HA GLU 4 6.349 -7.907 7.300
21 HB2 GLU 4 2HB GLU 4 8.437 -6.673 9.036
22 HB3 GLU 4 1HB GLU 4 6.738 -6.786 9.518
23 HG2 GLU 4 2HG GLU 4 7.817 -8.510 10.700
24 HG3 GLU 4 1HG GLU 4 7.136 -9.344 9.311
25 H THR 5 H THR 5 8.896 -5.481 7.361
26 HA THR 5 HA THR 5 7.616 -3.084 7.460
27 HB THR 5 HB THR 5 10.115 -3.730 5.903
28 HG1 THR 5 HG1 THR 5 9.627 -3.516 8.696
29 HG21 THR 5 3HG2 THR 5 9.342 -1.346 7.608
30 HG22 THR 5 1HG2 THR 5 9.384 -1.360 5.844
31 HG23 THR 5 2HG2 THR 5 10.876 -1.557 6.764
32 H GLN 6 H GLN 6 7.737 -5.260 4.817
33 HA GLN 6 HA GLN 6 7.410 -3.477 2.673
34 HB2 GLN 6 2HB GLN 6 8.159 -5.515 1.934
35 HB3 GLN 6 1HB GLN 6 7.222 -6.415 3.096
36 HG2 GLN 6 2HG GLN 6 5.931 -5.112 0.714
37 HG3 GLN 6 1HG GLN 6 6.729 -6.676 0.581
38 HE21 GLN 6 2HE2 GLN 6 4.240 -7.879 3.165
39 HE22 GLN 6 1HE2 GLN 6 5.916 -7.517 3.312
40 H MET 7 H MET 7 5.230 -4.633 5.071
41 HA MET 7 HA MET 7 2.819 -4.167 3.631
42 HB2 MET 7 2HB MET 7 3.366 -4.394 6.589
43 HB3 MET 7 1HB MET 7 1.759 -4.163 5.922
44 HG2 MET 7 2HG MET 7 3.559 -6.494 5.326
45 HG3 MET 7 1HG MET 7 2.237 -6.500 6.494
46 HE1 MET 7 3HE MET 7 1.202 -8.640 5.301
47 HE2 MET 7 1HE MET 7 2.523 -8.627 4.133
48 HE3 MET 7 2HE MET 7 0.854 -8.727 3.574
49 H GLU 8 H GLU 8 4.528 -2.395 6.053
50 HA GLU 8 HA GLU 8 2.861 -0.148 6.040
51 HB2 GLU 8 2HB GLU 8 5.758 -0.362 6.824
52 HB3 GLU 8 1HB GLU 8 4.689 0.987 7.169
53 HG2 GLU 8 2HG GLU 8 4.796 -0.172 9.172
54 HG3 GLU 8 1HG GLU 8 3.276 -0.692 8.449
55 H ARG 9 H ARG 9 5.725 -1.070 4.340
56 HA ARG 9 HA ARG 9 6.238 1.514 3.363
57 HB2 ARG 9 2HB ARG 9 7.314 -1.161 2.575
58 HB3 ARG 9 1HB ARG 9 7.669 0.252 1.586
59 HG2 ARG 9 2HG ARG 9 8.188 0.141 4.538
60 HG3 ARG 9 1HG ARG 9 9.387 -0.309 3.319
61 HD2 ARG 9 2HD ARG 9 7.990 2.370 3.323
62 HD3 ARG 9 1HD ARG 9 9.505 2.069 4.166
63 HE ARG 9 HE ARG 9 10.549 1.606 2.094
64 HH11 ARG 9 1HH1 ARG 9 7.270 2.963 1.575
65 HH12 ARG 9 2HH1 ARG 9 7.715 3.660 0.081
66 HH21 ARG 9 2HH2 ARG 9 9.930 3.414 -0.763
67 HH22 ARG 9 1HH2 ARG 9 11.042 2.515 0.181
68 H LYS 10 H LYS 10 4.327 -1.012 2.030
69 HA LYS 10 HA LYS 10 3.992 0.521 -0.375
70 HB2 LYS 10 2HB LYS 10 2.102 -1.084 -0.892
71 HB3 LYS 10 1HB LYS 10 3.693 -1.806 -0.699
72 HG2 LYS 10 2HG LYS 10 3.107 -2.469 1.570
73 HG3 LYS 10 1HG LYS 10 1.516 -1.744 1.364
74 HD2 LYS 10 2HD LYS 10 0.892 -3.342 -0.250
75 HD3 LYS 10 1HD LYS 10 2.556 -3.907 -0.442
76 HE2 LYS 10 2HE LYS 10 1.211 -5.466 0.917
77 HE3 LYS 10 1HE LYS 10 2.563 -4.767 1.803
78 HZ1 LYS 10 3HZ LYS 10 1.071 -3.237 2.863
79 HZ2 LYS 10 1HZ LYS 10 0.606 -4.845 3.120
80 HZ3 LYS 10 2HZ LYS 10 -0.262 -3.887 2.015
81 H ILE 11 H ILE 11 2.265 0.356 2.727
82 HA ILE 11 HA ILE 11 0.097 1.801 1.574
83 HB ILE 11 HB ILE 11 -0.799 1.927 3.853
84 HG12 ILE 11 2HG1 ILE 11 0.451 0.046 5.380
85 HG13 ILE 11 1HG1 ILE 11 1.795 0.747 4.463
86 HG21 ILE 11 1HG2 ILE 11 -1.342 0.095 2.350
87 HG22 ILE 11 2HG2 ILE 11 -1.165 -0.559 4.010
88 HG23 ILE 11 3HG2 ILE 11 0.175 -0.664 2.840
89 HD11 ILE 11 3HD1 ILE 11 1.522 1.768 6.639
90 HD12 ILE 11 1HD1 ILE 11 -0.084 2.354 6.146
91 HD13 ILE 11 2HD1 ILE 11 1.373 2.862 5.260
92 H ILE 12 H ILE 12 2.862 2.599 3.557
93 HA ILE 12 HA ILE 12 1.959 5.281 3.787
94 HB ILE 12 HB ILE 12 3.904 5.872 4.838
95 HG12 ILE 12 2HG1 ILE 12 5.922 3.985 4.599
96 HG13 ILE 12 1HG1 ILE 12 5.245 4.102 2.992
97 HG21 ILE 12 1HG2 ILE 12 2.826 4.359 6.261
98 HG22 ILE 12 2HG2 ILE 12 4.572 4.194 6.456
99 HG23 ILE 12 3HG2 ILE 12 3.671 2.993 5.532
100 HD11 ILE 12 3HD1 ILE 12 6.256 6.497 4.539
101 HD12 ILE 12 1HD1 ILE 12 5.458 6.555 2.977
102 HD13 ILE 12 2HD1 ILE 12 7.014 5.760 3.122
103 H ASP 13 H ASP 13 3.595 3.433 1.370
104 HA ASP 13 HA ASP 13 4.870 5.754 0.258
105 HB2 ASP 13 2HB ASP 13 5.516 3.231 -0.151
106 HB3 ASP 13 1HB ASP 13 4.402 3.393 -1.513
107 H PHE 14 H PHE 14 1.878 4.076 -0.268
108 HA PHE 14 HA PHE 14 0.881 5.529 -2.408
109 HB2 PHE 14 2HB PHE 14 -0.337 3.641 -1.542
110 HB3 PHE 14 1HB PHE 14 -0.407 4.349 0.063
111 HD1 PHE 14 HD1 PHE 14 -1.751 4.509 -3.339
112 HD2 PHE 14 HD2 PHE 14 -2.029 5.899 0.636
113 HE1 PHE 14 HE1 PHE 14 -3.968 5.482 -3.856
114 HE2 PHE 14 HE2 PHE 14 -4.233 6.884 0.176
115 HZ PHE 14 HZ PHE 14 -5.218 6.676 -2.092
116 H LEU 15 H LEU 15 0.611 6.178 1.134
117 HA LEU 15 HA LEU 15 -0.508 8.664 0.937
118 HB2 LEU 15 2HB LEU 15 -0.841 7.790 2.833
119 HB3 LEU 15 1HB LEU 15 0.614 6.824 2.897
120 HG LEU 15 HG LEU 15 0.298 8.241 4.758
121 HD11 LEU 15 1HD1 LEU 15 2.694 9.119 3.174
122 HD12 LEU 15 2HD1 LEU 15 2.580 7.757 4.288
123 HD13 LEU 15 3HD1 LEU 15 2.487 9.407 4.904
124 HD21 LEU 15 3HD2 LEU 15 0.374 10.540 2.859
125 HD22 LEU 15 1HD2 LEU 15 0.564 10.742 4.609
126 HD23 LEU 15 2HD2 LEU 15 -0.932 10.067 3.965
127 H ARG 16 H ARG 16 2.771 7.635 0.874
128 HA ARG 16 HA ARG 16 4.165 9.938 1.308
129 HB2 ARG 16 2HB ARG 16 5.219 7.828 1.150
130 HB3 ARG 16 1HB ARG 16 4.626 7.607 -0.489
131 HG2 ARG 16 2HG ARG 16 6.021 9.312 -1.281
132 HG3 ARG 16 1HG ARG 16 6.555 9.670 0.363
133 HD2 ARG 16 2HD ARG 16 7.320 7.238 0.468
134 HD3 ARG 16 1HD ARG 16 6.994 7.155 -1.251
135 HE ARG 16 HE ARG 16 8.676 9.317 -0.828
136 HH11 ARG 16 1HH1 ARG 16 8.740 5.767 -0.880
137 HH12 ARG 16 2HH1 ARG 16 10.473 5.718 -0.796
138 HH21 ARG 16 2HH2 ARG 16 11.764 7.589 -0.918
139 HH22 ARG 16 1HH2 ARG 16 11.083 9.146 -0.903
140 H GLN 17 H GLN 17 3.059 8.550 -1.588
141 HA GLN 17 HA GLN 17 3.774 10.675 -3.326
142 HB2 GLN 17 2HB GLN 17 2.156 8.185 -3.682
143 HB3 GLN 17 1HB GLN 17 2.281 9.374 -4.972
144 HG2 GLN 17 2HG GLN 17 4.669 9.108 -5.075
145 HG3 GLN 17 1HG GLN 17 4.654 8.079 -3.646
146 HE21 GLN 17 2HE2 GLN 17 3.984 5.183 -5.400
147 HE22 GLN 17 1HE2 GLN 17 4.282 5.926 -3.880
148 H ASN 18 H ASN 18 0.984 10.138 -1.325
149 HA ASN 18 HA ASN 18 -0.511 12.169 -2.798
150 HB2 ASN 18 2HB ASN 18 -1.140 10.710 -0.198
151 HB3 ASN 18 1HB ASN 18 -2.174 11.955 -0.878
152 HD21 ASN 18 2HD2 ASN 18 -1.874 8.727 -3.328
153 HD22 ASN 18 1HD2 ASN 18 -0.490 9.634 -2.845
154 H GLY 19 H GLY 19 1.292 11.724 0.076
155 HA2 GLY 19 2HA GLY 19 2.682 13.969 0.246
156 HA3 GLY 19 1HA GLY 19 1.123 14.488 0.872
157 H LYS 20 H LYS 20 3.842 12.122 1.447
158 HA LYS 20 HA LYS 20 3.286 11.165 3.866
159 HB2 LYS 20 2HB LYS 20 5.806 11.421 4.298
160 HB3 LYS 20 1HB LYS 20 5.336 10.532 2.867
161 HG2 LYS 20 2HG LYS 20 7.074 11.862 2.097
162 HG3 LYS 20 1HG LYS 20 5.654 12.802 1.644
163 HD2 LYS 20 2HD LYS 20 5.955 14.175 3.665
164 HD3 LYS 20 1HD LYS 20 7.388 13.230 4.069
165 HE2 LYS 20 2HE LYS 20 8.216 13.921 1.727
166 HE3 LYS 20 1HE LYS 20 6.967 15.161 1.824
167 HZ1 LYS 20 3HZ LYS 20 9.128 15.993 2.640
168 HZ2 LYS 20 1HZ LYS 20 9.188 14.722 3.717
169 HZ3 LYS 20 2HZ LYS 20 8.060 15.988 3.925
170 H SER 21 H SER 21 3.734 11.873 6.120
171 HA SER 21 HA SER 21 3.632 14.640 6.703
172 HB2 SER 21 2HB SER 21 1.625 14.504 5.208
173 HB3 SER 21 1HB SER 21 0.925 13.317 6.296
174 HG SER 21 HG SER 21 1.184 16.049 6.513
175 H ILE 22 H ILE 22 1.496 14.393 8.550
176 HA ILE 22 HA ILE 22 2.969 13.137 10.656
177 HB ILE 22 HB ILE 22 1.228 14.006 12.190
178 HG12 ILE 22 2HG1 ILE 22 0.047 15.238 9.681
179 HG13 ILE 22 1HG1 ILE 22 -0.678 13.929 10.603
180 HG21 ILE 22 1HG2 ILE 22 2.431 16.016 10.289
181 HG22 ILE 22 2HG2 ILE 22 3.204 15.323 11.715
182 HG23 ILE 22 3HG2 ILE 22 1.806 16.382 11.897
183 HD11 ILE 22 3HD1 ILE 22 -0.198 16.737 11.584
184 HD12 ILE 22 1HD1 ILE 22 -0.934 15.432 12.517
185 HD13 ILE 22 2HD1 ILE 22 -1.746 16.057 11.081
186 H ALA 23 H ALA 23 1.719 11.949 12.329
187 HA ALA 23 HA ALA 23 1.032 9.405 11.412
188 HB1 ALA 23 1HB ALA 23 2.031 9.919 13.580
189 HB2 ALA 23 2HB ALA 23 0.536 8.966 13.749
190 HB3 ALA 23 3HB ALA 23 0.515 10.721 14.006
191 H LEU 24 H LEU 24 -0.870 12.098 11.687
192 HA LEU 24 HA LEU 24 -3.381 10.704 12.111
193 HB2 LEU 24 2HB LEU 24 -3.289 12.865 13.043
194 HB3 LEU 24 1HB LEU 24 -2.655 13.561 11.566
195 HG LEU 24 HG LEU 24 -4.809 13.169 10.467
196 HD11 LEU 24 1HD1 LEU 24 -6.778 12.589 11.805
197 HD12 LEU 24 2HD1 LEU 24 -5.699 12.195 13.164
198 HD13 LEU 24 3HD1 LEU 24 -5.579 11.309 11.633
199 HD21 LEU 24 3HD2 LEU 24 -4.290 15.271 11.466
200 HD22 LEU 24 1HD2 LEU 24 -4.952 14.754 13.018
201 HD23 LEU 24 2HD2 LEU 24 -6.024 14.937 11.616
202 H THR 25 H THR 25 -1.792 12.503 9.589
203 HA THR 25 HA THR 25 -3.702 12.542 7.626
204 HB THR 25 HB THR 25 -0.746 12.284 7.219
205 HG1 THR 25 HG1 THR 25 -0.662 14.462 7.640
206 HG21 THR 25 3HG2 THR 25 -1.175 13.580 5.192
207 HG22 THR 25 1HG2 THR 25 -2.891 13.709 5.629
208 HG23 THR 25 2HG2 THR 25 -2.216 12.144 5.239
209 H ILE 26 H ILE 26 -1.162 10.181 8.047
210 HA ILE 26 HA ILE 26 -1.520 8.618 5.809
211 HB ILE 26 HB ILE 26 -1.005 7.287 8.499
212 HG12 ILE 26 2HG1 ILE 26 0.994 8.710 6.670
213 HG13 ILE 26 1HG1 ILE 26 0.462 9.316 8.227
214 HG21 ILE 26 1HG2 ILE 26 0.333 5.766 7.088
215 HG22 ILE 26 2HG2 ILE 26 -0.278 6.637 5.660
216 HG23 ILE 26 3HG2 ILE 26 -1.394 5.798 6.720
217 HD11 ILE 26 3HD1 ILE 26 2.000 6.771 7.776
218 HD12 ILE 26 1HD1 ILE 26 1.494 7.423 9.335
219 HD13 ILE 26 2HD1 ILE 26 2.661 8.305 8.353
220 H ALA 27 H ALA 27 -3.292 8.373 8.839
221 HA ALA 27 HA ALA 27 -4.818 6.097 8.223
222 HB1 ALA 27 1HB ALA 27 -6.206 6.746 10.099
223 HB2 ALA 27 2HB ALA 27 -5.498 8.362 10.085
224 HB3 ALA 27 3HB ALA 27 -4.499 6.968 10.494
225 H LYS 28 H LYS 28 -5.353 9.612 7.468
226 HA LYS 28 HA LYS 28 -7.995 9.254 6.820
227 HB2 LYS 28 2HB LYS 28 -7.244 11.277 7.760
228 HB3 LYS 28 1HB LYS 28 -5.861 11.354 6.680
229 HG2 LYS 28 2HG LYS 28 -7.165 11.628 4.924
230 HG3 LYS 28 1HG LYS 28 -8.693 11.541 5.847
231 HD2 LYS 28 2HD LYS 28 -8.301 13.938 5.532
232 HD3 LYS 28 1HD LYS 28 -7.754 13.581 7.167
233 HE2 LYS 28 2HE LYS 28 -6.115 15.000 6.127
234 HE3 LYS 28 1HE LYS 28 -5.418 13.388 6.255
235 HZ1 LYS 28 3HZ LYS 28 -6.517 14.612 3.734
236 HZ2 LYS 28 1HZ LYS 28 -6.039 13.016 3.913
237 HZ3 LYS 28 2HZ LYS 28 -4.914 14.112 4.060
238 H GLU 29 H GLU 29 -4.871 9.142 5.182
239 HA GLU 29 HA GLU 29 -6.027 9.509 2.571
240 HB2 GLU 29 2HB GLU 29 -3.248 8.473 3.072
241 HB3 GLU 29 1HB GLU 29 -3.838 9.383 1.694
242 HG2 GLU 29 2HG GLU 29 -3.261 10.390 4.472
243 HG3 GLU 29 1HG GLU 29 -2.434 10.773 2.987
244 H ILE 30 H ILE 30 -4.962 6.855 4.519
245 HA ILE 30 HA ILE 30 -5.481 5.063 2.276
246 HB ILE 30 HB ILE 30 -4.617 3.219 3.680
247 HG12 ILE 30 2HG1 ILE 30 -4.038 5.410 5.690
248 HG13 ILE 30 1HG1 ILE 30 -5.166 4.083 5.911
249 HG21 ILE 30 1HG2 ILE 30 -3.121 4.369 2.172
250 HG22 ILE 30 2HG2 ILE 30 -2.249 3.928 3.641
251 HG23 ILE 30 3HG2 ILE 30 -2.778 5.592 3.395
252 HD11 ILE 30 3HD1 ILE 30 -2.170 3.871 5.668
253 HD12 ILE 30 1HD1 ILE 30 -3.273 2.507 5.832
254 HD13 ILE 30 2HD1 ILE 30 -3.125 3.680 7.140
255 H GLY 31 H GLY 31 -7.125 6.384 4.798
256 HA2 GLY 31 2HA GLY 31 -9.253 6.098 5.566
257 HA3 GLY 31 1HA GLY 31 -9.492 4.940 4.267
258 H LEU 32 H LEU 32 -7.035 4.619 6.705
259 HA LEU 32 HA LEU 32 -8.494 2.250 7.664
260 HB2 LEU 32 2HB LEU 32 -5.488 2.534 7.642
261 HB3 LEU 32 1HB LEU 32 -6.397 1.122 8.112
262 HG LEU 32 HG LEU 32 -5.908 2.208 5.359
263 HD11 LEU 32 1HD1 LEU 32 -5.420 -0.492 6.569
264 HD12 LEU 32 2HD1 LEU 32 -4.213 0.753 6.282
265 HD13 LEU 32 3HD1 LEU 32 -5.035 -0.009 4.917
266 HD21 LEU 32 3HD2 LEU 32 -7.957 0.127 6.133
267 HD22 LEU 32 1HD2 LEU 32 -7.383 0.452 4.481
268 HD23 LEU 32 2HD2 LEU 32 -8.209 1.717 5.377
269 H ASP 33 H ASP 33 -7.587 1.527 9.819
270 HA ASP 33 HA ASP 33 -8.202 3.406 11.774
271 HB2 ASP 33 2HB ASP 33 -8.543 1.218 12.453
272 HB3 ASP 33 1HB ASP 33 -6.999 0.670 11.814
273 H LYS 34 H LYS 34 -7.075 4.672 13.085
274 HA LYS 34 HA LYS 34 -4.490 5.492 12.133
275 HB2 LYS 34 2HB LYS 34 -4.624 7.364 13.639
276 HB3 LYS 34 1HB LYS 34 -6.158 7.178 12.825
277 HG2 LYS 34 2HG LYS 34 -7.285 6.877 14.740
278 HG3 LYS 34 1HG LYS 34 -6.081 5.747 15.363
279 HD2 LYS 34 2HD LYS 34 -5.766 8.762 15.362
280 HD3 LYS 34 1HD LYS 34 -6.296 7.812 16.752
281 HE2 LYS 34 2HE LYS 34 -4.184 6.588 16.744
282 HE3 LYS 34 1HE LYS 34 -3.639 7.466 15.329
283 HZ1 LYS 34 3HZ LYS 34 -2.629 8.363 17.225
284 HZ2 LYS 34 1HZ LYS 34 -4.101 8.580 18.046
285 HZ3 LYS 34 2HZ LYS 34 -3.737 9.513 16.679
286 H SER 35 H SER 35 -5.576 3.277 14.501
287 HA SER 35 HA SER 35 -3.430 3.703 16.366
288 HB2 SER 35 2HB SER 35 -5.580 2.667 17.114
289 HB3 SER 35 1HB SER 35 -5.329 1.340 15.986
290 HG SER 35 HG SER 35 -4.524 1.535 18.470
291 H THR 36 H THR 36 -4.346 1.522 13.779
292 HA THR 36 HA THR 36 -2.205 -0.022 13.561
293 HB THR 36 HB THR 36 -4.301 1.116 11.797
294 HG1 THR 36 HG1 THR 36 -5.147 -0.277 13.116
295 HG21 THR 36 3HG2 THR 36 -2.290 -0.965 11.073
296 HG22 THR 36 1HG2 THR 36 -2.473 0.696 10.457
297 HG23 THR 36 2HG2 THR 36 -3.770 -0.497 10.149
298 H VAL 37 H VAL 37 -2.799 3.122 11.769
299 HA VAL 37 HA VAL 37 -0.422 3.339 10.492
300 HB VAL 37 HB VAL 37 -2.229 5.329 11.774
301 HG11 VAL 37 1HG1 VAL 37 -0.030 6.335 11.466
302 HG12 VAL 37 2HG1 VAL 37 -1.219 7.066 10.416
303 HG13 VAL 37 3HG1 VAL 37 -0.048 5.894 9.755
304 HG21 VAL 37 3HG2 VAL 37 -1.967 4.391 8.929
305 HG22 VAL 37 1HG2 VAL 37 -3.030 5.691 9.462
306 HG23 VAL 37 2HG2 VAL 37 -3.288 4.048 10.045
307 H ASN 38 H ASN 38 -1.231 4.580 13.712
308 HA ASN 38 HA ASN 38 1.258 5.814 14.193
309 HB2 ASN 38 2HB ASN 38 -0.929 4.885 16.046
310 HB3 ASN 38 1HB ASN 38 0.530 5.645 16.656
311 HD21 ASN 38 2HD2 ASN 38 -1.401 8.159 14.067
312 HD22 ASN 38 1HD2 ASN 38 -0.783 6.626 13.621
313 H ARG 39 H ARG 39 0.066 2.636 14.972
314 HA ARG 39 HA ARG 39 2.163 1.666 16.526
315 HB2 ARG 39 2HB ARG 39 0.008 0.655 16.357
316 HB3 ARG 39 1HB ARG 39 0.172 0.496 14.623
317 HG2 ARG 39 2HG ARG 39 2.038 -0.950 15.020
318 HG3 ARG 39 1HG ARG 39 1.627 -0.986 16.743
319 HD2 ARG 39 2HD ARG 39 0.054 -1.964 14.358
320 HD3 ARG 39 1HD ARG 39 0.479 -2.895 15.802
321 HE ARG 39 HE ARG 39 -1.107 -1.238 16.943
322 HH11 ARG 39 1HH1 ARG 39 -1.580 -2.553 13.654
323 HH12 ARG 39 2HH1 ARG 39 -3.231 -2.144 13.581
324 HH21 ARG 39 2HH2 ARG 39 -4.315 -1.111 15.406
325 HH22 ARG 39 1HH2 ARG 39 -3.472 -0.693 16.807
326 H HIS 40 H HIS 40 1.436 1.411 13.165
327 HA HIS 40 HA HIS 40 3.720 -0.149 12.613
328 HB2 HIS 40 2HB HIS 40 1.647 1.097 10.894
329 HB3 HIS 40 1HB HIS 40 3.062 0.366 10.171
330 HD1 HIS 40 HD1 HIS 40 3.188 -2.354 10.342
331 HD2 HIS 40 HD2 HIS 40 -0.154 -0.638 12.161
332 HE1 HIS 40 HE1 HIS 40 1.657 -4.237 10.931
333 H LEU 41 H LEU 41 3.187 3.232 12.449
334 HA LEU 41 HA LEU 41 5.591 3.697 10.957
335 HB2 LEU 41 2HB LEU 41 5.273 6.106 11.491
336 HB3 LEU 41 1HB LEU 41 3.902 5.362 10.705
337 HG LEU 41 HG LEU 41 2.986 5.157 13.134
338 HD11 LEU 41 1HD1 LEU 41 4.911 7.402 13.533
339 HD12 LEU 41 2HD1 LEU 41 4.915 5.836 14.346
340 HD13 LEU 41 3HD1 LEU 41 3.583 6.962 14.606
341 HD21 LEU 41 3HD2 LEU 41 2.001 6.393 11.395
342 HD22 LEU 41 1HD2 LEU 41 3.107 7.750 11.646
343 HD23 LEU 41 2HD2 LEU 41 1.935 7.315 12.906
344 H TYR 42 H TYR 42 4.749 3.410 14.385
345 HA TYR 42 HA TYR 42 7.038 4.471 15.298
346 HB2 TYR 42 2HB TYR 42 4.823 2.896 16.123
347 HB3 TYR 42 1HB TYR 42 6.221 2.567 17.072
348 HD1 TYR 42 HD1 TYR 42 7.435 5.200 17.229
349 HD2 TYR 42 HD2 TYR 42 3.390 4.131 17.289
350 HE1 TYR 42 HE1 TYR 42 6.946 7.297 18.484
351 HE2 TYR 42 HE2 TYR 42 2.817 6.215 18.540
352 HH TYR 42 HH TYR 42 3.942 7.840 19.989
353 H ASN 43 H ASN 43 6.125 1.386 14.150
354 HA ASN 43 HA ASN 43 8.365 -0.186 14.934
355 HB2 ASN 43 2HB ASN 43 6.654 -0.537 12.461
356 HB3 ASN 43 1HB ASN 43 7.731 -1.745 13.144
357 HD21 ASN 43 2HD2 ASN 43 4.147 -2.145 14.150
358 HD22 ASN 43 1HD2 ASN 43 4.896 -1.805 12.622
359 H LEU 44 H LEU 44 7.636 1.640 12.029
360 HA LEU 44 HA LEU 44 9.992 0.976 10.614
361 HB2 LEU 44 2HB LEU 44 8.420 3.522 10.315
362 HB3 LEU 44 1HB LEU 44 9.429 2.752 9.137
363 HG LEU 44 HG LEU 44 6.825 1.619 10.121
364 HD11 LEU 44 1HD1 LEU 44 6.534 3.654 8.809
365 HD12 LEU 44 2HD1 LEU 44 5.982 2.236 7.925
366 HD13 LEU 44 3HD1 LEU 44 7.534 2.974 7.525
367 HD21 LEU 44 3HD2 LEU 44 8.660 0.751 7.896
368 HD22 LEU 44 1HD2 LEU 44 7.100 0.034 8.295
369 HD23 LEU 44 2HD2 LEU 44 8.439 -0.087 9.434
370 H GLN 45 H GLN 45 9.118 3.586 12.795
371 HA GLN 45 HA GLN 45 11.387 5.176 12.533
372 HB2 GLN 45 2HB GLN 45 9.417 5.885 13.674
373 HB3 GLN 45 1HB GLN 45 9.696 4.727 14.958
374 HG2 GLN 45 2HG GLN 45 11.585 5.823 15.762
375 HG3 GLN 45 1HG GLN 45 11.786 6.752 14.281
376 HE21 GLN 45 2HE2 GLN 45 9.691 9.278 15.173
377 HE22 GLN 45 1HE2 GLN 45 10.629 8.501 13.962
378 H ARG 46 H ARG 46 10.741 2.347 14.435
379 HA ARG 46 HA ARG 46 12.959 2.366 16.210
380 HB2 ARG 46 2HB ARG 46 11.676 -0.102 15.017
381 HB3 ARG 46 1HB ARG 46 12.697 -0.063 16.432
382 HG2 ARG 46 2HG ARG 46 9.911 1.038 16.155
383 HG3 ARG 46 1HG ARG 46 10.408 -0.378 17.074
384 HD2 ARG 46 2HD ARG 46 10.316 1.129 18.782
385 HD3 ARG 46 1HD ARG 46 11.965 1.417 18.208
386 HE ARG 46 HE ARG 46 10.027 3.028 16.899
387 HH11 ARG 46 1HH1 ARG 46 12.140 2.818 19.731
388 HH12 ARG 46 2HH1 ARG 46 12.086 4.472 20.122
389 HH21 ARG 46 2HH2 ARG 46 10.770 5.974 18.759
390 HH22 ARG 46 1HH2 ARG 46 9.919 5.392 17.450
391 H SER 47 H SER 47 12.597 1.357 12.967
392 HA SER 47 HA SER 47 15.257 0.189 12.901
393 HB2 SER 47 2HB SER 47 13.388 -1.143 12.025
394 HB3 SER 47 1HB SER 47 13.027 0.124 10.858
395 HG SER 47 HG SER 47 15.340 -0.244 10.227
396 H ASN 48 H ASN 48 14.171 3.349 12.581
397 HA ASN 48 HA ASN 48 14.781 5.127 11.499
398 HB2 ASN 48 2HB ASN 48 17.211 3.431 11.031
399 HB3 ASN 48 1HB ASN 48 17.150 5.099 10.452
400 HD21 ASN 48 2HD2 ASN 48 17.741 4.240 14.356
401 HD22 ASN 48 1HD2 ASN 48 17.354 3.006 13.202
402 H GLN 49 H GLN 49 13.088 3.373 10.183
403 HA GLN 49 HA GLN 49 13.883 3.383 7.373
404 HB2 GLN 49 2HB GLN 49 12.793 1.380 8.490
405 HB3 GLN 49 1HB GLN 49 11.394 2.364 8.815
406 HG2 GLN 49 2HG GLN 49 12.379 1.458 6.100
407 HG3 GLN 49 1HG GLN 49 10.998 0.818 6.979
408 HE21 GLN 49 2HE2 GLN 49 10.668 4.081 4.713
409 HE22 GLN 49 1HE2 GLN 49 12.127 3.160 4.841
410 H VAL 50 H VAL 50 11.476 4.482 9.669
411 HA VAL 50 HA VAL 50 11.056 6.866 8.051
412 HB VAL 50 HB VAL 50 9.107 5.058 8.288
413 HG11 VAL 50 1HG1 VAL 50 8.705 6.743 10.755
414 HG12 VAL 50 2HG1 VAL 50 9.350 5.141 10.767
415 HG13 VAL 50 3HG1 VAL 50 7.651 5.414 10.227
416 HG21 VAL 50 3HG2 VAL 50 8.644 8.019 8.617
417 HG22 VAL 50 1HG2 VAL 50 7.420 6.852 8.114
418 HG23 VAL 50 2HG2 VAL 50 8.835 7.141 7.098
419 H PHE 51 H PHE 51 10.699 8.552 9.332
420 HA PHE 51 HA PHE 51 10.638 8.674 12.095
421 HB2 PHE 51 2HB PHE 51 12.955 9.932 12.404
422 HB3 PHE 51 1HB PHE 51 12.889 8.176 12.410
423 HD1 PHE 51 HD1 PHE 51 14.249 6.990 11.160
424 HD2 PHE 51 HD2 PHE 51 13.552 11.019 10.059
425 HE1 PHE 51 HE1 PHE 51 15.936 6.755 9.475
426 HE2 PHE 51 HE2 PHE 51 15.284 10.837 8.303
427 HZ PHE 51 HZ PHE 51 16.495 8.698 7.995
428 H ASN 52 H ASN 52 11.564 11.241 12.645
429 HA ASN 52 HA ASN 52 9.739 12.736 10.903
430 HB2 ASN 52 2HB ASN 52 10.913 13.619 13.490
431 HB3 ASN 52 1HB ASN 52 9.641 14.380 12.594
432 HD21 ASN 52 2HD2 ASN 52 7.041 12.390 13.718
433 HD22 ASN 52 1HD2 ASN 52 7.535 13.652 12.653
434 H SER 53 H SER 53 10.455 14.462 9.801
435 HA SER 53 HA SER 53 13.209 15.355 10.134
436 HB2 SER 53 2HB SER 53 13.279 13.078 9.063
437 HB3 SER 53 1HB SER 53 12.420 13.810 7.706
438 HG SER 53 HG SER 53 14.619 13.786 7.261
439 H ASN 54 H ASN 54 13.728 16.192 7.761
440 HA ASN 54 HA ASN 54 13.742 17.717 6.112
441 HB2 ASN 54 2HB ASN 54 12.768 15.897 5.013
442 HB3 ASN 54 1HB ASN 54 11.170 16.275 5.625
443 HD21 ASN 54 2HD2 ASN 54 10.410 18.519 3.057
444 HD22 ASN 54 1HD2 ASN 54 9.874 17.776 4.502
445 H GLU 55 H GLU 55 11.105 18.487 8.268
446 HA GLU 55 HA GLU 55 11.050 21.083 7.038
447 HB2 GLU 55 2HB GLU 55 8.507 20.889 6.683
448 HB3 GLU 55 1HB GLU 55 9.581 20.137 5.513
449 HG2 GLU 55 2HG GLU 55 9.301 18.012 6.820
450 HG3 GLU 55 1HG GLU 55 7.933 18.780 7.645
451 H LYS 56 H LYS 56 9.155 22.378 7.999
452 HA LYS 56 HA LYS 56 9.820 22.798 10.677
453 HB2 LYS 56 2HB LYS 56 7.393 23.877 9.197
454 HB3 LYS 56 1HB LYS 56 7.924 24.406 10.784
455 HG2 LYS 56 2HG LYS 56 10.018 25.206 9.833
456 HG3 LYS 56 1HG LYS 56 9.527 24.627 8.243
457 HD2 LYS 56 2HD LYS 56 9.151 27.027 8.412
458 HD3 LYS 56 1HD LYS 56 7.609 26.185 8.291
459 HE2 LYS 56 2HE LYS 56 7.304 26.393 10.719
460 HE3 LYS 56 1HE LYS 56 8.863 27.208 10.848
461 HZ1 LYS 56 3HZ LYS 56 6.491 28.203 9.357
462 HZ2 LYS 56 1HZ LYS 56 7.986 28.993 9.462
463 HZ3 LYS 56 2HZ LYS 56 7.041 28.781 10.847
464 HA PRO 57 HA PRO 57 6.169 20.293 12.141
465 HB2 PRO 57 2HB PRO 57 4.816 18.895 10.010
466 HB3 PRO 57 1HB PRO 57 4.129 20.154 11.052
467 HG2 PRO 57 2HG PRO 57 4.537 20.451 8.367
468 HG3 PRO 57 1HG PRO 57 4.439 21.789 9.530
469 HD2 PRO 57 2HD PRO 57 6.851 20.521 8.329
470 HD3 PRO 57 1HD PRO 57 6.526 22.230 8.678
471 HA PRO 58 HA PRO 58 9.348 17.081 11.572
472 HB2 PRO 58 2HB PRO 58 8.283 15.472 13.640
473 HB3 PRO 58 1HB PRO 58 9.562 16.692 13.837
474 HG2 PRO 58 2HG PRO 58 6.675 16.883 14.417
475 HG3 PRO 58 1HG PRO 58 8.049 17.661 15.223
476 HD2 PRO 58 2HD PRO 58 6.427 19.015 13.609
477 HD3 PRO 58 1HD PRO 58 8.166 19.372 13.688
478 H VAL 59 H VAL 59 8.909 16.021 9.671
479 HA VAL 59 HA VAL 59 6.286 14.884 9.257
480 HB VAL 59 HB VAL 59 7.376 16.233 7.536
481 HG11 VAL 59 1HG1 VAL 59 9.403 14.060 7.376
482 HG12 VAL 59 2HG1 VAL 59 9.661 15.749 7.810
483 HG13 VAL 59 3HG1 VAL 59 9.181 15.316 6.165
484 HG21 VAL 59 3HG2 VAL 59 5.692 14.641 6.777
485 HG22 VAL 59 1HG2 VAL 59 6.915 13.365 6.720
486 HG23 VAL 59 2HG2 VAL 59 7.029 14.694 5.610
487 H TRP 60 H TRP 60 5.706 12.830 9.284
488 HA TRP 60 HA TRP 60 7.806 10.927 9.656
489 HB2 TRP 60 2HB TRP 60 4.813 10.525 9.319
490 HB3 TRP 60 1HB TRP 60 5.969 9.228 9.632
491 HD1 TRP 60 HD1 TRP 60 4.533 12.293 11.209
492 HE1 TRP 60 HE1 TRP 60 4.667 12.074 13.842
493 HE3 TRP 60 HE3 TRP 60 7.242 8.063 11.452
494 HZ2 TRP 60 HZ2 TRP 60 5.846 10.303 15.684
495 HZ3 TRP 60 HZ3 TRP 60 7.875 7.153 13.645
496 HH2 TRP 60 HH2 TRP 60 7.194 8.251 15.717
497 H ASP 61 H ASP 61 8.897 10.828 8.172
498 HA ASP 61 HA ASP 61 8.056 10.438 5.411
499 HB2 ASP 61 2HB ASP 61 8.547 12.900 5.890
500 HB3 ASP 61 1HB ASP 61 10.176 12.397 6.291
501 H LEU 62 H LEU 62 10.117 10.136 4.353
502 HA LEU 62 HA LEU 62 11.835 8.451 6.009
503 HB2 LEU 62 2HB LEU 62 11.554 6.453 4.763
504 HB3 LEU 62 1HB LEU 62 10.011 7.151 5.234
505 HG LEU 62 HG LEU 62 11.115 7.353 2.410
506 HD11 LEU 62 1HD1 LEU 62 9.568 5.578 1.824
507 HD12 LEU 62 2HD1 LEU 62 9.092 5.426 3.514
508 HD13 LEU 62 3HD1 LEU 62 10.729 5.016 3.029
509 HD21 LEU 62 3HD2 LEU 62 8.823 7.917 1.805
510 HD22 LEU 62 1HD2 LEU 62 9.429 9.054 3.007
511 HD23 LEU 62 2HD2 LEU 62 8.318 7.770 3.489
512 H MET 63 H MET 63 13.555 7.324 4.475
513 HA MET 63 HA MET 63 14.702 9.468 2.793
514 HB2 MET 63 2HB MET 63 15.721 9.178 5.118
515 HB3 MET 63 1HB MET 63 16.171 7.559 4.593
516 HG2 MET 63 2HG MET 63 17.636 8.463 2.887
517 HG3 MET 63 1HG MET 63 17.127 10.104 3.274
518 HE1 MET 63 3HE MET 63 17.788 11.367 5.538
519 HE2 MET 63 1HE MET 63 18.686 10.607 6.850
520 HE3 MET 63 2HE MET 63 17.055 10.063 6.470
521 H GLU 64 H GLU 64 13.078 7.132 2.196
522 HA GLU 64 HA GLU 64 14.965 5.445 0.717
523 HB2 GLU 64 2HB GLU 64 14.080 4.538 2.885
524 HB3 GLU 64 1HB GLU 64 12.475 4.606 2.195
525 HG2 GLU 64 2HG GLU 64 13.365 3.064 0.370
526 HG3 GLU 64 1HG GLU 64 14.757 2.814 1.432
Start of MODEL 6
1 HA MET 1 HA MET 1 5.525 -10.393 3.179
2 HB2 MET 1 2HB MET 1 4.298 -13.051 2.377
3 HB3 MET 1 1HB MET 1 4.720 -12.623 4.026
4 HG2 MET 1 2HG MET 1 3.099 -10.809 3.986
5 HG3 MET 1 1HG MET 1 2.701 -11.191 2.311
6 HE1 MET 1 2HE MET 1 0.544 -10.964 4.699
7 HE2 MET 1 3HE MET 1 -0.487 -12.341 4.311
8 HE3 MET 1 1HE MET 1 0.120 -11.303 3.021
9 H SER 2 H SER 2 7.454 -10.757 4.033
10 HA SER 2 HA SER 2 9.005 -13.015 3.854
11 HB2 SER 2 2HB SER 2 9.338 -12.367 1.442
12 HB3 SER 2 1HB SER 2 9.872 -10.773 1.957
13 HG SER 2 HG SER 2 11.163 -13.168 2.747
14 H ALA 3 H ALA 3 9.488 -9.530 3.528
15 HA ALA 3 HA ALA 3 10.572 -9.398 6.276
16 HB1 ALA 3 1HB ALA 3 11.002 -7.546 3.917
17 HB2 ALA 3 2HB ALA 3 12.180 -8.728 4.488
18 HB3 ALA 3 3HB ALA 3 11.714 -7.378 5.522
19 H GLU 4 H GLU 4 10.252 -7.150 7.082
20 HA GLU 4 HA GLU 4 7.401 -6.915 7.150
21 HB2 GLU 4 2HB GLU 4 8.121 -5.485 9.286
22 HB3 GLU 4 1HB GLU 4 8.055 -7.252 9.226
23 HG2 GLU 4 2HG GLU 4 10.054 -6.359 10.433
24 HG3 GLU 4 1HG GLU 4 10.400 -7.478 9.128
25 H THR 5 H THR 5 10.235 -4.903 6.737
26 HA THR 5 HA THR 5 9.069 -2.425 6.517
27 HB THR 5 HB THR 5 11.192 -2.067 5.013
28 HG1 THR 5 HG1 THR 5 11.962 -4.434 6.366
29 HG21 THR 5 3HG2 THR 5 12.562 -1.916 7.066
30 HG22 THR 5 1HG2 THR 5 11.349 -2.854 7.937
31 HG23 THR 5 2HG2 THR 5 10.951 -1.249 7.322
32 H GLN 6 H GLN 6 9.198 -4.965 4.209
33 HA GLN 6 HA GLN 6 8.761 -3.374 1.889
34 HB2 GLN 6 2HB GLN 6 8.275 -5.425 0.687
35 HB3 GLN 6 1HB GLN 6 9.619 -5.684 1.796
36 HG2 GLN 6 2HG GLN 6 8.194 -6.874 3.333
37 HG3 GLN 6 1HG GLN 6 6.782 -6.522 2.346
38 HE21 GLN 6 2HE2 GLN 6 9.410 -8.952 0.404
39 HE22 GLN 6 1HE2 GLN 6 9.887 -7.419 1.005
40 H MET 7 H MET 7 6.601 -4.667 4.317
41 HA MET 7 HA MET 7 4.348 -4.095 2.612
42 HB2 MET 7 2HB MET 7 2.899 -5.081 4.277
43 HB3 MET 7 1HB MET 7 4.269 -6.140 4.016
44 HG2 MET 7 2HG MET 7 5.259 -5.246 6.127
45 HG3 MET 7 1HG MET 7 3.769 -4.337 6.379
46 HE1 MET 7 3HE MET 7 4.391 -8.019 4.980
47 HE2 MET 7 1HE MET 7 4.118 -8.942 6.455
48 HE3 MET 7 2HE MET 7 5.486 -7.837 6.350
49 H GLU 8 H GLU 8 6.075 -2.786 5.203
50 HA GLU 8 HA GLU 8 4.236 -0.786 5.926
51 HB2 GLU 8 2HB GLU 8 7.217 -0.899 6.263
52 HB3 GLU 8 1HB GLU 8 6.078 0.102 7.168
53 HG2 GLU 8 2HG GLU 8 6.207 -2.902 7.224
54 HG3 GLU 8 1HG GLU 8 6.795 -1.815 8.483
55 H ARG 9 H ARG 9 7.032 -0.996 3.792
56 HA ARG 9 HA ARG 9 6.978 1.669 2.984
57 HB2 ARG 9 2HB ARG 9 8.955 0.481 2.439
58 HB3 ARG 9 1HB ARG 9 8.066 -0.810 1.654
59 HG2 ARG 9 2HG ARG 9 9.268 0.568 0.031
60 HG3 ARG 9 1HG ARG 9 7.530 0.658 -0.210
61 HD2 ARG 9 2HD ARG 9 8.414 2.849 -0.489
62 HD3 ARG 9 1HD ARG 9 7.548 2.826 1.038
63 HE ARG 9 HE ARG 9 9.899 2.471 2.005
64 HH11 ARG 9 1HH1 ARG 9 9.136 4.456 -0.883
65 HH12 ARG 9 2HH1 ARG 9 10.476 5.510 -0.627
66 HH21 ARG 9 2HH2 ARG 9 11.857 5.333 1.161
67 HH22 ARG 9 1HH2 ARG 9 11.722 4.041 2.267
68 H LYS 10 H LYS 10 5.199 -1.118 1.621
69 HA LYS 10 HA LYS 10 4.241 0.435 -0.542
70 HB2 LYS 10 2HB LYS 10 2.422 -1.240 -0.815
71 HB3 LYS 10 1HB LYS 10 4.018 -1.972 -0.706
72 HG2 LYS 10 2HG LYS 10 3.651 -2.660 1.494
73 HG3 LYS 10 1HG LYS 10 2.212 -1.668 1.643
74 HD2 LYS 10 2HD LYS 10 1.023 -3.091 0.097
75 HD3 LYS 10 1HD LYS 10 2.486 -4.047 -0.182
76 HE2 LYS 10 2HE LYS 10 0.895 -5.084 1.453
77 HE3 LYS 10 1HE LYS 10 2.527 -4.795 2.064
78 HZ1 LYS 10 3HZ LYS 10 0.821 -4.152 3.695
79 HZ2 LYS 10 1HZ LYS 10 0.188 -3.020 2.608
80 HZ3 LYS 10 2HZ LYS 10 1.754 -2.844 3.231
81 H ILE 11 H ILE 11 3.013 0.166 2.835
82 HA ILE 11 HA ILE 11 0.578 1.433 2.055
83 HB ILE 11 HB ILE 11 0.120 1.656 4.449
84 HG12 ILE 11 2HG1 ILE 11 2.912 0.553 4.705
85 HG13 ILE 11 1HG1 ILE 11 2.256 2.017 5.414
86 HG21 ILE 11 1HG2 ILE 11 1.164 -0.983 3.544
87 HG22 ILE 11 2HG2 ILE 11 -0.468 -0.366 3.228
88 HG23 ILE 11 3HG2 ILE 11 0.028 -0.795 4.884
89 HD11 ILE 11 3HD1 ILE 11 0.827 0.592 6.857
90 HD12 ILE 11 1HD1 ILE 11 2.580 0.342 7.080
91 HD13 ILE 11 2HD1 ILE 11 1.652 -0.790 6.099
92 H ILE 12 H ILE 12 3.591 2.542 3.495
93 HA ILE 12 HA ILE 12 2.526 5.167 3.723
94 HB ILE 12 HB ILE 12 4.523 5.901 4.594
95 HG12 ILE 12 2HG1 ILE 12 6.616 4.124 4.198
96 HG13 ILE 12 1HG1 ILE 12 5.768 4.101 2.680
97 HG21 ILE 12 1HG2 ILE 12 3.617 4.304 6.083
98 HG22 ILE 12 2HG2 ILE 12 5.377 4.250 6.166
99 HG23 ILE 12 3HG2 ILE 12 4.496 2.998 5.290
100 HD11 ILE 12 3HD1 ILE 12 6.773 6.668 3.947
101 HD12 ILE 12 1HD1 ILE 12 5.860 6.571 2.461
102 HD13 ILE 12 2HD1 ILE 12 7.469 5.880 2.536
103 H ASP 13 H ASP 13 4.194 3.373 1.237
104 HA ASP 13 HA ASP 13 5.161 5.565 -0.262
105 HB2 ASP 13 2HB ASP 13 5.567 2.942 -0.531
106 HB3 ASP 13 1HB ASP 13 4.229 3.083 -1.666
107 H PHE 14 H PHE 14 2.135 3.856 -0.184
108 HA PHE 14 HA PHE 14 0.911 5.245 -2.269
109 HB2 PHE 14 2HB PHE 14 -0.141 3.243 -1.532
110 HB3 PHE 14 1HB PHE 14 -0.125 3.767 0.142
111 HD1 PHE 14 HD1 PHE 14 -1.790 5.154 1.003
112 HD2 PHE 14 HD2 PHE 14 -1.823 4.083 -3.089
113 HE1 PHE 14 HE1 PHE 14 -4.111 5.934 0.848
114 HE2 PHE 14 HE2 PHE 14 -4.156 4.868 -3.292
115 HZ PHE 14 HZ PHE 14 -5.310 5.796 -1.319
116 H LEU 15 H LEU 15 0.865 5.792 1.205
117 HA LEU 15 HA LEU 15 -0.570 8.164 1.354
118 HB2 LEU 15 2HB LEU 15 -0.193 7.398 3.316
119 HB3 LEU 15 1HB LEU 15 1.394 6.703 2.965
120 HG LEU 15 HG LEU 15 1.993 9.280 2.881
121 HD11 LEU 15 1HD1 LEU 15 -0.062 10.134 3.216
122 HD12 LEU 15 2HD1 LEU 15 0.932 10.540 4.629
123 HD13 LEU 15 3HD1 LEU 15 -0.309 9.266 4.735
124 HD21 LEU 15 3HD2 LEU 15 3.120 7.717 4.121
125 HD22 LEU 15 1HD2 LEU 15 1.866 7.618 5.369
126 HD23 LEU 15 2HD2 LEU 15 2.808 9.121 5.157
127 H ARG 16 H ARG 16 2.747 7.541 0.875
128 HA ARG 16 HA ARG 16 3.721 10.117 0.942
129 HB2 ARG 16 2HB ARG 16 5.763 9.054 0.697
130 HB3 ARG 16 1HB ARG 16 4.730 7.640 0.591
131 HG2 ARG 16 2HG ARG 16 4.902 7.449 -1.686
132 HG3 ARG 16 1HG ARG 16 5.494 9.101 -1.887
133 HD2 ARG 16 2HD ARG 16 7.604 8.581 -1.096
134 HD3 ARG 16 1HD ARG 16 7.026 7.158 -0.230
135 HE ARG 16 HE ARG 16 6.609 6.281 -2.590
136 HH11 ARG 16 1HH1 ARG 16 9.251 8.596 -2.146
137 HH12 ARG 16 2HH1 ARG 16 10.442 7.570 -2.743
138 HH21 ARG 16 2HH2 ARG 16 9.813 5.413 -3.674
139 HH22 ARG 16 1HH2 ARG 16 8.169 4.916 -3.466
140 H GLN 17 H GLN 17 2.244 8.358 -1.511
141 HA GLN 17 HA GLN 17 2.777 10.307 -3.587
142 HB2 GLN 17 2HB GLN 17 1.226 7.734 -3.546
143 HB3 GLN 17 1HB GLN 17 1.152 8.827 -4.924
144 HG2 GLN 17 2HG GLN 17 3.487 8.592 -5.340
145 HG3 GLN 17 1HG GLN 17 3.727 7.722 -3.827
146 HE21 GLN 17 2HE2 GLN 17 2.878 4.640 -5.118
147 HE22 GLN 17 1HE2 GLN 17 3.280 5.598 -3.734
148 H ASN 18 H ASN 18 0.445 9.807 -1.145
149 HA ASN 18 HA ASN 18 -1.468 11.640 -2.372
150 HB2 ASN 18 2HB ASN 18 -1.314 10.633 0.495
151 HB3 ASN 18 1HB ASN 18 -2.691 11.429 -0.256
152 HD21 ASN 18 2HD2 ASN 18 -2.903 8.315 -2.372
153 HD22 ASN 18 1HD2 ASN 18 -2.371 9.923 -2.759
154 H GLY 19 H GLY 19 0.869 11.469 0.151
155 HA2 GLY 19 2HA GLY 19 2.334 13.606 -0.006
156 HA3 GLY 19 1HA GLY 19 0.854 14.324 0.624
157 H LYS 20 H LYS 20 3.588 12.077 1.402
158 HA LYS 20 HA LYS 20 3.299 11.298 3.868
159 HB2 LYS 20 2HB LYS 20 5.589 12.209 4.353
160 HB3 LYS 20 1HB LYS 20 5.443 11.094 3.005
161 HG2 LYS 20 2HG LYS 20 5.373 14.048 2.515
162 HG3 LYS 20 1HG LYS 20 6.930 13.308 2.898
163 HD2 LYS 20 2HD LYS 20 5.098 12.579 0.584
164 HD3 LYS 20 1HD LYS 20 6.583 13.517 0.470
165 HE2 LYS 20 2HE LYS 20 6.420 10.657 1.433
166 HE3 LYS 20 1HE LYS 20 6.882 11.142 -0.196
167 HZ1 LYS 20 3HZ LYS 20 8.575 10.599 1.647
168 HZ2 LYS 20 1HZ LYS 20 8.392 12.180 2.120
169 HZ3 LYS 20 2HZ LYS 20 8.937 11.803 0.530
170 H SER 21 H SER 21 3.392 12.102 6.062
171 HA SER 21 HA SER 21 3.258 14.813 6.698
172 HB2 SER 21 2HB SER 21 1.268 14.763 5.167
173 HB3 SER 21 1HB SER 21 0.545 13.527 6.185
174 HG SER 21 HG SER 21 0.544 16.194 6.439
175 H ILE 22 H ILE 22 1.200 14.590 8.618
176 HA ILE 22 HA ILE 22 2.625 13.029 10.574
177 HB ILE 22 HB ILE 22 0.993 13.916 12.216
178 HG12 ILE 22 2HG1 ILE 22 -0.170 15.408 9.839
179 HG13 ILE 22 1HG1 ILE 22 -0.956 14.084 10.683
180 HG21 ILE 22 1HG2 ILE 22 1.720 16.266 12.078
181 HG22 ILE 22 2HG2 ILE 22 2.279 15.979 10.430
182 HG23 ILE 22 3HG2 ILE 22 3.039 15.135 11.777
183 HD11 ILE 22 3HD1 ILE 22 -0.260 16.766 11.863
184 HD12 ILE 22 1HD1 ILE 22 -1.063 15.444 12.709
185 HD13 ILE 22 2HD1 ILE 22 -1.864 16.237 11.352
186 H ALA 23 H ALA 23 1.282 11.797 12.188
187 HA ALA 23 HA ALA 23 0.390 9.415 11.080
188 HB1 ALA 23 1HB ALA 23 1.280 9.664 13.341
189 HB2 ALA 23 2HB ALA 23 -0.271 8.816 13.329
190 HB3 ALA 23 3HB ALA 23 -0.195 10.517 13.798
191 H LEU 24 H LEU 24 -1.405 12.284 11.736
192 HA LEU 24 HA LEU 24 -3.969 11.011 12.001
193 HB2 LEU 24 2HB LEU 24 -3.323 13.232 13.038
194 HB3 LEU 24 1HB LEU 24 -3.312 13.920 11.438
195 HG LEU 24 HG LEU 24 -5.310 14.507 12.813
196 HD11 LEU 24 1HD1 LEU 24 -5.958 12.994 10.299
197 HD12 LEU 24 2HD1 LEU 24 -5.488 14.689 10.415
198 HD13 LEU 24 3HD1 LEU 24 -7.015 14.147 11.112
199 HD21 LEU 24 3HD2 LEU 24 -5.580 12.408 14.004
200 HD22 LEU 24 1HD2 LEU 24 -6.018 11.594 12.502
201 HD23 LEU 24 2HD2 LEU 24 -7.067 12.848 13.165
202 H THR 25 H THR 25 -2.094 12.616 9.489
203 HA THR 25 HA THR 25 -4.055 12.714 7.527
204 HB THR 25 HB THR 25 -1.096 12.450 7.187
205 HG1 THR 25 HG1 THR 25 -0.961 14.591 7.671
206 HG21 THR 25 3HG2 THR 25 -1.508 13.686 5.123
207 HG22 THR 25 1HG2 THR 25 -3.219 13.881 5.580
208 HG23 THR 25 2HG2 THR 25 -2.599 12.287 5.242
209 H ILE 26 H ILE 26 -1.419 10.436 8.184
210 HA ILE 26 HA ILE 26 -1.666 8.744 6.036
211 HB ILE 26 HB ILE 26 -1.123 7.659 8.829
212 HG12 ILE 26 2HG1 ILE 26 0.806 8.941 6.848
213 HG13 ILE 26 1HG1 ILE 26 0.288 9.678 8.353
214 HG21 ILE 26 1HG2 ILE 26 0.214 6.024 7.573
215 HG22 ILE 26 2HG2 ILE 26 -0.329 6.795 6.065
216 HG23 ILE 26 3HG2 ILE 26 -1.500 6.028 7.134
217 HD11 ILE 26 3HD1 ILE 26 1.908 7.154 8.079
218 HD12 ILE 26 1HD1 ILE 26 1.389 7.879 9.601
219 HD13 ILE 26 2HD1 ILE 26 2.513 8.742 8.552
220 H ALA 27 H ALA 27 -3.487 8.615 9.034
221 HA ALA 27 HA ALA 27 -4.963 6.311 8.509
222 HB1 ALA 27 1HB ALA 27 -4.817 7.379 10.699
223 HB2 ALA 27 2HB ALA 27 -6.493 7.107 10.213
224 HB3 ALA 27 3HB ALA 27 -5.791 8.726 10.108
225 H LYS 28 H LYS 28 -5.651 9.777 7.635
226 HA LYS 28 HA LYS 28 -8.170 9.312 6.656
227 HB2 LYS 28 2HB LYS 28 -6.713 11.393 7.404
228 HB3 LYS 28 1HB LYS 28 -6.433 11.449 5.669
229 HG2 LYS 28 2HG LYS 28 -9.012 11.030 5.699
230 HG3 LYS 28 1HG LYS 28 -8.741 11.843 7.263
231 HD2 LYS 28 2HD LYS 28 -9.129 13.715 5.855
232 HD3 LYS 28 1HD LYS 28 -7.376 13.566 5.835
233 HE2 LYS 28 2HE LYS 28 -9.317 12.631 3.691
234 HE3 LYS 28 1HE LYS 28 -8.191 13.971 3.571
235 HZ1 LYS 28 3HZ LYS 28 -7.500 11.054 3.610
236 HZ2 LYS 28 1HZ LYS 28 -6.360 12.263 3.752
237 HZ3 LYS 28 2HZ LYS 28 -7.200 12.154 2.377
238 H GLU 29 H GLU 29 -4.937 9.074 5.315
239 HA GLU 29 HA GLU 29 -5.880 9.286 2.608
240 HB2 GLU 29 2HB GLU 29 -3.156 8.328 3.491
241 HB3 GLU 29 1HB GLU 29 -3.604 8.941 1.911
242 HG2 GLU 29 2HG GLU 29 -3.140 10.408 4.461
243 HG3 GLU 29 1HG GLU 29 -2.444 10.700 2.877
244 H ILE 30 H ILE 30 -4.929 6.784 4.791
245 HA ILE 30 HA ILE 30 -5.262 4.816 2.660
246 HB ILE 30 HB ILE 30 -4.480 3.102 4.263
247 HG12 ILE 30 2HG1 ILE 30 -4.149 5.444 6.159
248 HG13 ILE 30 1HG1 ILE 30 -5.268 4.108 6.369
249 HG21 ILE 30 1HG2 ILE 30 -2.143 3.882 4.396
250 HG22 ILE 30 2HG2 ILE 30 -2.686 5.510 3.993
251 HG23 ILE 30 3HG2 ILE 30 -2.880 4.203 2.825
252 HD11 ILE 30 3HD1 ILE 30 -3.351 3.839 7.815
253 HD12 ILE 30 1HD1 ILE 30 -2.258 3.960 6.433
254 HD13 ILE 30 2HD1 ILE 30 -3.341 2.581 6.577
255 H GLY 31 H GLY 31 -7.090 6.208 5.076
256 HA2 GLY 31 2HA GLY 31 -9.320 5.953 5.562
257 HA3 GLY 31 1HA GLY 31 -9.384 4.657 4.373
258 H LEU 32 H LEU 32 -7.123 4.656 7.001
259 HA LEU 32 HA LEU 32 -8.608 2.369 8.107
260 HB2 LEU 32 2HB LEU 32 -5.600 2.641 8.203
261 HB3 LEU 32 1HB LEU 32 -6.552 1.270 8.705
262 HG LEU 32 HG LEU 32 -5.877 2.164 5.921
263 HD11 LEU 32 1HD1 LEU 32 -4.242 0.782 7.017
264 HD12 LEU 32 2HD1 LEU 32 -5.004 -0.081 5.684
265 HD13 LEU 32 3HD1 LEU 32 -5.469 -0.440 7.345
266 HD21 LEU 32 3HD2 LEU 32 -7.986 0.144 6.696
267 HD22 LEU 32 1HD2 LEU 32 -7.294 0.350 5.069
268 HD23 LEU 32 2HD2 LEU 32 -8.172 1.675 5.813
269 H ASP 33 H ASP 33 -7.699 1.872 10.357
270 HA ASP 33 HA ASP 33 -8.331 4.017 12.044
271 HB2 ASP 33 2HB ASP 33 -8.880 2.081 13.108
272 HB3 ASP 33 1HB ASP 33 -7.549 1.186 12.392
273 H LYS 34 H LYS 34 -7.191 5.181 13.417
274 HA LYS 34 HA LYS 34 -4.689 6.206 12.562
275 HB2 LYS 34 2HB LYS 34 -4.810 7.573 14.627
276 HB3 LYS 34 1HB LYS 34 -6.249 7.665 13.630
277 HG2 LYS 34 2HG LYS 34 -7.576 6.604 15.153
278 HG3 LYS 34 1HG LYS 34 -6.261 5.619 15.778
279 HD2 LYS 34 2HD LYS 34 -6.586 8.575 16.312
280 HD3 LYS 34 1HD LYS 34 -7.133 7.300 17.402
281 HE2 LYS 34 2HE LYS 34 -4.262 7.773 16.531
282 HE3 LYS 34 1HE LYS 34 -4.955 8.180 18.092
283 HZ1 LYS 34 3HZ LYS 34 -4.943 5.386 17.080
284 HZ2 LYS 34 1HZ LYS 34 -5.186 5.901 18.649
285 HZ3 LYS 34 2HZ LYS 34 -3.646 6.010 17.919
286 H SER 35 H SER 35 -5.550 3.717 14.840
287 HA SER 35 HA SER 35 -3.173 4.014 16.456
288 HB2 SER 35 2HB SER 35 -5.190 1.770 16.463
289 HB3 SER 35 1HB SER 35 -4.182 2.334 17.806
290 HG SER 35 HG SER 35 -6.504 3.321 16.743
291 H THR 36 H THR 36 -4.497 2.041 13.915
292 HA THR 36 HA THR 36 -2.573 0.217 13.561
293 HB THR 36 HB THR 36 -4.601 1.703 11.983
294 HG1 THR 36 HG1 THR 36 -5.472 0.284 13.294
295 HG21 THR 36 3HG2 THR 36 -2.833 -0.474 10.944
296 HG22 THR 36 1HG2 THR 36 -2.908 1.238 10.474
297 HG23 THR 36 2HG2 THR 36 -4.309 0.180 10.150
298 H VAL 37 H VAL 37 -2.926 3.531 12.093
299 HA VAL 37 HA VAL 37 -0.577 3.684 10.717
300 HB VAL 37 HB VAL 37 -2.036 5.760 12.302
301 HG11 VAL 37 1HG1 VAL 37 -0.033 6.134 10.070
302 HG12 VAL 37 2HG1 VAL 37 0.194 6.523 11.778
303 HG13 VAL 37 3HG1 VAL 37 -0.981 7.422 10.828
304 HG21 VAL 37 3HG2 VAL 37 -3.054 6.358 10.120
305 HG22 VAL 37 1HG2 VAL 37 -3.466 4.732 10.670
306 HG23 VAL 37 2HG2 VAL 37 -2.251 4.957 9.413
307 H ASN 38 H ASN 38 -1.225 4.520 14.117
308 HA ASN 38 HA ASN 38 1.279 5.435 14.917
309 HB2 ASN 38 2HB ASN 38 -0.749 3.854 16.528
310 HB3 ASN 38 1HB ASN 38 0.641 4.680 17.208
311 HD21 ASN 38 2HD2 ASN 38 -0.987 7.851 15.938
312 HD22 ASN 38 1HD2 ASN 38 0.322 6.878 15.352
313 H ARG 39 H ARG 39 0.028 2.200 14.966
314 HA ARG 39 HA ARG 39 2.107 0.783 16.123
315 HB2 ARG 39 2HB ARG 39 -0.017 -0.172 15.740
316 HB3 ARG 39 1HB ARG 39 0.056 0.193 14.024
317 HG2 ARG 39 2HG ARG 39 2.027 -1.241 13.977
318 HG3 ARG 39 1HG ARG 39 1.534 -1.880 15.550
319 HD2 ARG 39 2HD ARG 39 0.088 -1.941 12.906
320 HD3 ARG 39 1HD ARG 39 0.568 -3.349 13.864
321 HE ARG 39 HE ARG 39 -1.138 -2.388 15.514
322 HH11 ARG 39 1HH1 ARG 39 -1.431 -2.265 11.950
323 HH12 ARG 39 2HH1 ARG 39 -3.116 -2.097 11.963
324 HH21 ARG 39 2HH2 ARG 39 -4.322 -1.978 13.969
325 HH22 ARG 39 1HH2 ARG 39 -3.553 -2.138 15.477
326 H HIS 40 H HIS 40 1.403 1.453 12.822
327 HA HIS 40 HA HIS 40 3.612 0.016 11.769
328 HB2 HIS 40 2HB HIS 40 1.641 1.885 10.510
329 HB3 HIS 40 1HB HIS 40 2.958 1.166 9.596
330 HD1 HIS 40 HD1 HIS 40 2.804 -1.537 9.321
331 HD2 HIS 40 HD2 HIS 40 -0.513 0.244 11.065
332 HE1 HIS 40 HE1 HIS 40 0.998 -3.286 9.334
333 H LEU 41 H LEU 41 3.115 3.335 12.548
334 HA LEU 41 HA LEU 41 5.545 4.084 11.267
335 HB2 LEU 41 2HB LEU 41 5.274 6.291 12.300
336 HB3 LEU 41 1HB LEU 41 3.872 5.797 11.376
337 HG LEU 41 HG LEU 41 2.959 5.109 13.721
338 HD11 LEU 41 1HD1 LEU 41 4.952 5.468 14.997
339 HD12 LEU 41 2HD1 LEU 41 3.665 6.549 15.531
340 HD13 LEU 41 3HD1 LEU 41 4.988 7.175 14.531
341 HD21 LEU 41 3HD2 LEU 41 1.967 7.279 13.949
342 HD22 LEU 41 1HD2 LEU 41 2.042 6.696 12.287
343 HD23 LEU 41 2HD2 LEU 41 3.179 7.951 12.829
344 H TYR 42 H TYR 42 4.634 3.008 14.462
345 HA TYR 42 HA TYR 42 6.819 3.932 15.820
346 HB2 TYR 42 2HB TYR 42 4.644 2.108 16.037
347 HB3 TYR 42 1HB TYR 42 5.967 1.638 17.018
348 HD1 TYR 42 HD1 TYR 42 6.845 4.499 17.726
349 HD2 TYR 42 HD2 TYR 42 3.051 2.679 17.547
350 HE1 TYR 42 HE1 TYR 42 6.007 6.152 19.366
351 HE2 TYR 42 HE2 TYR 42 2.160 4.319 19.184
352 HH TYR 42 HH TYR 42 3.846 7.131 20.046
353 H ASN 43 H ASN 43 6.184 1.137 14.033
354 HA ASN 43 HA ASN 43 8.633 -0.167 14.854
355 HB2 ASN 43 2HB ASN 43 8.187 -2.067 13.489
356 HB3 ASN 43 1HB ASN 43 6.628 -1.541 14.112
357 HD21 ASN 43 2HD2 ASN 43 5.276 -1.134 10.937
358 HD22 ASN 43 1HD2 ASN 43 5.032 -1.015 12.647
359 H LEU 44 H LEU 44 7.604 1.506 11.974
360 HA LEU 44 HA LEU 44 10.106 1.256 10.641
361 HB2 LEU 44 2HB LEU 44 8.174 3.558 10.271
362 HB3 LEU 44 1HB LEU 44 9.454 3.069 9.244
363 HG LEU 44 HG LEU 44 7.049 1.375 9.767
364 HD11 LEU 44 1HD1 LEU 44 6.439 1.993 7.452
365 HD12 LEU 44 2HD1 LEU 44 7.852 3.034 7.367
366 HD13 LEU 44 3HD1 LEU 44 6.549 3.415 8.487
367 HD21 LEU 44 3HD2 LEU 44 9.077 0.085 9.291
368 HD22 LEU 44 1HD2 LEU 44 9.371 1.059 7.852
369 HD23 LEU 44 2HD2 LEU 44 7.959 0.011 7.940
370 H GLN 45 H GLN 45 8.867 3.512 13.009
371 HA GLN 45 HA GLN 45 10.826 5.355 12.966
372 HB2 GLN 45 2HB GLN 45 8.718 4.432 14.544
373 HB3 GLN 45 1HB GLN 45 9.976 4.918 15.604
374 HG2 GLN 45 2HG GLN 45 10.028 6.908 13.872
375 HG3 GLN 45 1HG GLN 45 8.383 6.342 13.582
376 HE21 GLN 45 2HE2 GLN 45 8.748 8.841 16.188
377 HE22 GLN 45 1HE2 GLN 45 9.443 8.601 14.602
378 H ARG 46 H ARG 46 10.664 2.138 14.347
379 HA ARG 46 HA ARG 46 12.996 2.403 16.015
380 HB2 ARG 46 2HB ARG 46 11.799 -0.152 14.948
381 HB3 ARG 46 1HB ARG 46 12.949 -0.022 16.259
382 HG2 ARG 46 2HG ARG 46 10.051 0.784 16.245
383 HG3 ARG 46 1HG ARG 46 10.813 -0.489 17.192
384 HD2 ARG 46 2HD ARG 46 10.767 1.089 18.821
385 HD3 ARG 46 1HD ARG 46 12.232 1.636 17.997
386 HE ARG 46 HE ARG 46 9.878 2.764 16.888
387 HH11 ARG 46 1HH1 ARG 46 12.287 3.157 19.441
388 HH12 ARG 46 2HH1 ARG 46 11.939 4.788 19.781
389 HH21 ARG 46 2HH2 ARG 46 10.184 5.896 18.548
390 HH22 ARG 46 1HH2 ARG 46 9.317 5.072 17.368
391 H SER 47 H SER 47 12.358 1.456 12.749
392 HA SER 47 HA SER 47 15.087 0.579 12.387
393 HB2 SER 47 2HB SER 47 14.144 -0.132 10.123
394 HB3 SER 47 1HB SER 47 13.551 -0.982 11.551
395 HG SER 47 HG SER 47 11.717 -0.478 10.627
396 H ASN 48 H ASN 48 13.668 3.588 12.322
397 HA ASN 48 HA ASN 48 14.097 5.501 11.370
398 HB2 ASN 48 2HB ASN 48 16.615 4.039 10.659
399 HB3 ASN 48 1HB ASN 48 16.385 5.720 10.172
400 HD21 ASN 48 2HD2 ASN 48 18.096 5.302 13.515
401 HD22 ASN 48 1HD2 ASN 48 18.314 4.493 11.990
402 H GLN 49 H GLN 49 12.453 3.704 9.956
403 HA GLN 49 HA GLN 49 13.096 4.382 7.164
404 HB2 GLN 49 2HB GLN 49 12.352 1.933 8.066
405 HB3 GLN 49 1HB GLN 49 10.756 2.627 7.900
406 HG2 GLN 49 2HG GLN 49 12.603 2.727 5.546
407 HG3 GLN 49 1HG GLN 49 11.888 1.193 5.974
408 HE21 GLN 49 2HE2 GLN 49 9.081 3.956 4.882
409 HE22 GLN 49 1HE2 GLN 49 10.172 4.333 6.147
410 H VAL 50 H VAL 50 11.236 5.033 9.921
411 HA VAL 50 HA VAL 50 10.138 7.269 8.545
412 HB VAL 50 HB VAL 50 8.423 5.176 8.756
413 HG11 VAL 50 1HG1 VAL 50 8.695 5.155 11.180
414 HG12 VAL 50 2HG1 VAL 50 6.999 5.338 10.659
415 HG13 VAL 50 3HG1 VAL 50 7.909 6.729 11.266
416 HG21 VAL 50 3HG2 VAL 50 7.930 7.213 7.609
417 HG22 VAL 50 1HG2 VAL 50 7.694 8.068 9.134
418 HG23 VAL 50 2HG2 VAL 50 6.577 6.784 8.659
419 H PHE 51 H PHE 51 10.123 8.777 9.757
420 HA PHE 51 HA PHE 51 9.796 8.971 12.519
421 HB2 PHE 51 2HB PHE 51 12.104 10.044 13.048
422 HB3 PHE 51 1HB PHE 51 12.092 8.302 12.830
423 HD1 PHE 51 HD1 PHE 51 13.172 7.268 11.024
424 HD2 PHE 51 HD2 PHE 51 13.221 11.488 11.391
425 HE1 PHE 51 HE1 PHE 51 14.987 7.346 9.429
426 HE2 PHE 51 HE2 PHE 51 15.061 11.611 9.755
427 HZ PHE 51 HZ PHE 51 15.959 9.540 8.760
428 H ASN 52 H ASN 52 10.755 11.628 12.915
429 HA ASN 52 HA ASN 52 9.290 12.850 10.704
430 HB2 ASN 52 2HB ASN 52 9.260 14.945 11.892
431 HB3 ASN 52 1HB ASN 52 8.482 13.678 12.807
432 HD21 ASN 52 2HD2 ASN 52 10.830 13.866 15.406
433 HD22 ASN 52 1HD2 ASN 52 9.609 12.918 14.585
434 H SER 53 H SER 53 10.126 14.389 9.454
435 HA SER 53 HA SER 53 13.014 14.247 9.486
436 HB2 SER 53 2HB SER 53 11.148 13.453 7.298
437 HB3 SER 53 1HB SER 53 12.891 13.588 7.205
438 HG SER 53 HG SER 53 11.314 11.597 8.309
439 H ASN 54 H ASN 54 13.769 15.275 7.702
440 HA ASN 54 HA ASN 54 14.509 16.895 6.321
441 HB2 ASN 54 2HB ASN 54 12.795 15.976 4.907
442 HB3 ASN 54 1HB ASN 54 11.591 17.049 5.597
443 HD21 ASN 54 2HD2 ASN 54 12.348 19.692 3.436
444 HD22 ASN 54 1HD2 ASN 54 11.331 19.144 4.682
445 H GLU 55 H GLU 55 12.320 18.090 8.705
446 HA GLU 55 HA GLU 55 13.494 20.716 8.494
447 HB2 GLU 55 2HB GLU 55 11.267 21.778 7.820
448 HB3 GLU 55 1HB GLU 55 12.134 20.877 6.603
449 HG2 GLU 55 2HG GLU 55 10.756 18.957 6.955
450 HG3 GLU 55 1HG GLU 55 9.770 19.766 8.152
451 H LYS 56 H LYS 56 11.292 22.122 9.570
452 HA LYS 56 HA LYS 56 11.303 20.954 12.167
453 HB2 LYS 56 2HB LYS 56 10.860 23.789 11.347
454 HB3 LYS 56 1HB LYS 56 10.372 23.231 12.944
455 HG2 LYS 56 2HG LYS 56 13.151 22.713 11.941
456 HG3 LYS 56 1HG LYS 56 12.729 24.276 12.623
457 HD2 LYS 56 2HD LYS 56 13.781 22.770 14.292
458 HD3 LYS 56 1HD LYS 56 12.164 23.252 14.754
459 HE2 LYS 56 2HE LYS 56 12.604 20.906 15.298
460 HE3 LYS 56 1HE LYS 56 11.312 21.021 14.124
461 HZ1 LYS 56 3HZ LYS 56 12.862 20.291 12.386
462 HZ2 LYS 56 1HZ LYS 56 12.888 19.227 13.667
463 HZ3 LYS 56 2HZ LYS 56 14.159 20.314 13.467
464 HA PRO 57 HA PRO 57 6.600 20.896 11.329
465 HB2 PRO 57 2HB PRO 57 6.874 20.567 8.358
466 HB3 PRO 57 1HB PRO 57 5.551 21.334 9.265
467 HG2 PRO 57 2HG PRO 57 7.217 22.840 7.940
468 HG3 PRO 57 1HG PRO 57 6.707 23.308 9.578
469 HD2 PRO 57 2HD PRO 57 9.284 22.073 8.708
470 HD3 PRO 57 1HD PRO 57 8.995 23.378 9.878
471 HA PRO 58 HA PRO 58 8.726 16.925 11.354
472 HB2 PRO 58 2HB PRO 58 6.262 15.893 12.593
473 HB3 PRO 58 1HB PRO 58 7.903 15.965 13.264
474 HG2 PRO 58 2HG PRO 58 5.974 17.533 14.190
475 HG3 PRO 58 1HG PRO 58 7.658 18.083 14.066
476 HD2 PRO 58 2HD PRO 58 5.354 18.697 12.275
477 HD3 PRO 58 1HD PRO 58 6.658 19.747 12.881
478 H VAL 59 H VAL 59 8.774 16.118 9.150
479 HA VAL 59 HA VAL 59 6.196 15.134 8.252
480 HB VAL 59 HB VAL 59 7.689 16.327 6.632
481 HG11 VAL 59 1HG1 VAL 59 9.347 13.873 6.714
482 HG12 VAL 59 2HG1 VAL 59 9.838 15.470 7.289
483 HG13 VAL 59 3HG1 VAL 59 9.539 15.196 5.565
484 HG21 VAL 59 3HG2 VAL 59 7.292 14.831 4.745
485 HG22 VAL 59 1HG2 VAL 59 5.896 14.876 5.823
486 HG23 VAL 59 2HG2 VAL 59 7.017 13.502 5.854
487 H TRP 60 H TRP 60 5.466 13.326 8.743
488 HA TRP 60 HA TRP 60 7.338 11.339 9.627
489 HB2 TRP 60 2HB TRP 60 4.307 11.289 9.605
490 HB3 TRP 60 1HB TRP 60 5.343 10.009 10.236
491 HD1 TRP 60 HD1 TRP 60 4.768 13.763 10.872
492 HE1 TRP 60 HE1 TRP 60 5.015 14.217 13.397
493 HE3 TRP 60 HE3 TRP 60 6.031 9.069 12.381
494 HZ2 TRP 60 HZ2 TRP 60 5.668 12.750 15.728
495 HZ3 TRP 60 HZ3 TRP 60 6.456 8.670 14.771
496 HH2 TRP 60 HH2 TRP 60 6.276 10.468 16.404
497 H ASP 61 H ASP 61 8.349 10.684 8.114
498 HA ASP 61 HA ASP 61 7.600 8.744 6.350
499 HB2 ASP 61 2HB ASP 61 6.497 10.799 5.269
500 HB3 ASP 61 1HB ASP 61 8.121 11.414 4.985
501 H LEU 62 H LEU 62 9.587 9.511 4.500
502 HA LEU 62 HA LEU 62 11.888 10.055 6.080
503 HB2 LEU 62 2HB LEU 62 13.117 8.127 5.411
504 HB3 LEU 62 1HB LEU 62 11.563 7.672 6.083
505 HG LEU 62 HG LEU 62 12.137 7.664 3.114
506 HD11 LEU 62 1HD1 LEU 62 12.298 5.390 5.081
507 HD12 LEU 62 2HD1 LEU 62 13.655 6.147 4.247
508 HD13 LEU 62 3HD1 LEU 62 12.443 5.255 3.329
509 HD21 LEU 62 3HD2 LEU 62 9.746 7.729 3.713
510 HD22 LEU 62 1HD2 LEU 62 9.970 6.321 4.752
511 HD23 LEU 62 2HD2 LEU 62 10.186 6.173 3.008
512 H MET 63 H MET 63 13.548 9.268 3.469
513 HA MET 63 HA MET 63 12.948 11.825 2.336
514 HB2 MET 63 2HB MET 63 15.611 10.381 2.562
515 HB3 MET 63 1HB MET 63 15.345 11.941 1.807
516 HG2 MET 63 2HG MET 63 15.095 11.297 4.742
517 HG3 MET 63 1HG MET 63 16.388 12.208 3.975
518 HE1 MET 63 3HE MET 63 16.028 14.651 2.892
519 HE2 MET 63 1HE MET 63 14.481 15.497 2.892
520 HE3 MET 63 2HE MET 63 14.694 14.053 1.906
521 H GLU 64 H GLU 64 11.490 9.829 1.738
522 HA GLU 64 HA GLU 64 10.561 8.993 -0.116
523 HB2 GLU 64 2HB GLU 64 13.159 9.579 -0.986
524 HB3 GLU 64 1HB GLU 64 12.116 8.760 -2.202
525 HG2 GLU 64 2HG GLU 64 12.173 11.591 -1.143
526 HG3 GLU 64 1HG GLU 64 11.814 11.049 -2.780
Start of MODEL 7
1 HA MET 1 HA MET 1 11.696 -10.535 8.628
2 HB2 MET 1 2HB MET 1 13.700 -12.781 9.043
3 HB3 MET 1 1HB MET 1 14.052 -11.262 8.240
4 HG2 MET 1 2HG MET 1 14.910 -11.143 10.460
5 HG3 MET 1 1HG MET 1 13.511 -10.080 10.361
6 HE1 MET 1 2HE MET 1 15.026 -13.366 11.836
7 HE2 MET 1 3HE MET 1 13.768 -14.039 10.798
8 HE3 MET 1 1HE MET 1 13.621 -14.155 12.550
9 H SER 2 H SER 2 10.465 -10.631 6.901
10 HA SER 2 HA SER 2 11.466 -12.159 4.695
11 HB2 SER 2 2HB SER 2 9.821 -13.732 5.748
12 HB3 SER 2 1HB SER 2 8.576 -12.498 5.591
13 HG SER 2 HG SER 2 9.897 -13.049 3.247
14 H ALA 3 H ALA 3 8.496 -10.381 5.641
15 HA ALA 3 HA ALA 3 9.208 -8.081 4.107
16 HB1 ALA 3 1HB ALA 3 6.922 -9.785 3.075
17 HB2 ALA 3 2HB ALA 3 8.485 -9.617 2.275
18 HB3 ALA 3 3HB ALA 3 7.421 -8.219 2.436
19 H GLU 4 H GLU 4 8.653 -8.549 6.685
20 HA GLU 4 HA GLU 4 6.126 -7.919 7.613
21 HB2 GLU 4 2HB GLU 4 8.868 -7.303 8.433
22 HB3 GLU 4 1HB GLU 4 7.529 -6.844 9.508
23 HG2 GLU 4 2HG GLU 4 8.397 -8.870 10.398
24 HG3 GLU 4 1HG GLU 4 7.009 -9.398 9.458
25 H THR 5 H THR 5 8.881 -5.716 7.248
26 HA THR 5 HA THR 5 7.366 -3.351 7.594
27 HB THR 5 HB THR 5 9.693 -3.421 8.303
28 HG1 THR 5 HG1 THR 5 8.728 -1.585 6.582
29 HG21 THR 5 3HG2 THR 5 10.384 -3.730 5.373
30 HG22 THR 5 1HG2 THR 5 10.586 -4.963 6.618
31 HG23 THR 5 2HG2 THR 5 11.546 -3.485 6.677
32 H GLN 6 H GLN 6 7.429 -5.302 4.990
33 HA GLN 6 HA GLN 6 7.665 -3.390 2.857
34 HB2 GLN 6 2HB GLN 6 7.913 -5.943 2.666
35 HB3 GLN 6 1HB GLN 6 6.159 -6.000 2.733
36 HG2 GLN 6 2HG GLN 6 6.358 -4.252 0.774
37 HG3 GLN 6 1HG GLN 6 7.944 -4.992 0.575
38 HE21 GLN 6 2HE2 GLN 6 6.390 -7.269 -1.528
39 HE22 GLN 6 1HE2 GLN 6 7.495 -5.959 -1.356
40 H MET 7 H MET 7 5.267 -4.506 5.083
41 HA MET 7 HA MET 7 2.957 -3.939 3.558
42 HB2 MET 7 2HB MET 7 3.221 -4.096 6.562
43 HB3 MET 7 1HB MET 7 1.719 -4.156 5.655
44 HG2 MET 7 2HG MET 7 3.925 -6.201 5.627
45 HG3 MET 7 1HG MET 7 2.343 -6.365 6.380
46 HE1 MET 7 3HE MET 7 3.580 -8.541 4.452
47 HE2 MET 7 1HE MET 7 2.183 -8.946 3.453
48 HE3 MET 7 2HE MET 7 1.982 -8.684 5.185
49 H GLU 8 H GLU 8 4.543 -2.170 6.199
50 HA GLU 8 HA GLU 8 2.858 0.030 5.987
51 HB2 GLU 8 2HB GLU 8 5.700 -0.016 6.984
52 HB3 GLU 8 1HB GLU 8 4.485 1.231 7.231
53 HG2 GLU 8 2HG GLU 8 4.701 -0.003 9.252
54 HG3 GLU 8 1HG GLU 8 3.144 -0.393 8.525
55 H ARG 9 H ARG 9 5.825 -0.867 4.411
56 HA ARG 9 HA ARG 9 6.294 1.694 3.292
57 HB2 ARG 9 2HB ARG 9 8.193 0.254 3.341
58 HB3 ARG 9 1HB ARG 9 7.331 -1.045 2.545
59 HG2 ARG 9 2HG ARG 9 9.062 0.023 1.129
60 HG3 ARG 9 1HG ARG 9 7.452 0.091 0.430
61 HD2 ARG 9 2HD ARG 9 8.617 2.191 0.087
62 HD3 ARG 9 1HD ARG 9 7.245 2.423 1.156
63 HE ARG 9 HE ARG 9 9.518 2.024 2.737
64 HH11 ARG 9 1HH1 ARG 9 8.284 4.375 0.380
65 HH12 ARG 9 2HH1 ARG 9 9.040 5.715 1.092
66 HH21 ARG 9 2HH2 ARG 9 10.425 5.420 3.086
67 HH22 ARG 9 1HH2 ARG 9 10.588 3.855 3.724
68 H LYS 10 H LYS 10 4.461 -1.032 2.126
69 HA LYS 10 HA LYS 10 3.904 0.103 -0.399
70 HB2 LYS 10 2HB LYS 10 2.427 -1.984 1.203
71 HB3 LYS 10 1HB LYS 10 1.947 -1.515 -0.423
72 HG2 LYS 10 2HG LYS 10 4.028 -2.290 -1.335
73 HG3 LYS 10 1HG LYS 10 4.683 -2.566 0.273
74 HD2 LYS 10 2HD LYS 10 2.345 -4.061 -0.944
75 HD3 LYS 10 1HD LYS 10 4.001 -4.665 -0.845
76 HE2 LYS 10 2HE LYS 10 3.824 -4.339 1.660
77 HE3 LYS 10 1HE LYS 10 2.097 -4.081 1.418
78 HZ1 LYS 10 3HZ LYS 10 2.010 -6.339 0.407
79 HZ2 LYS 10 1HZ LYS 10 2.526 -6.332 2.026
80 HZ3 LYS 10 2HZ LYS 10 3.659 -6.525 0.810
81 H ILE 11 H ILE 11 2.223 0.453 2.766
82 HA ILE 11 HA ILE 11 0.062 1.776 1.491
83 HB ILE 11 HB ILE 11 -0.727 2.250 3.729
84 HG12 ILE 11 2HG1 ILE 11 1.908 1.061 4.567
85 HG13 ILE 11 1HG1 ILE 11 1.252 2.631 4.985
86 HG21 ILE 11 1HG2 ILE 11 -1.262 0.114 2.677
87 HG22 ILE 11 2HG2 ILE 11 -1.024 -0.140 4.420
88 HG23 ILE 11 3HG2 ILE 11 0.266 -0.539 3.273
89 HD11 ILE 11 3HD1 ILE 11 0.310 -0.027 5.884
90 HD12 ILE 11 1HD1 ILE 11 -0.475 1.494 6.348
91 HD13 ILE 11 2HD1 ILE 11 1.187 1.153 6.877
92 H ILE 12 H ILE 12 2.929 2.794 3.312
93 HA ILE 12 HA ILE 12 2.056 5.471 3.207
94 HB ILE 12 HB ILE 12 3.978 6.186 4.217
95 HG12 ILE 12 2HG1 ILE 12 5.947 4.205 4.318
96 HG13 ILE 12 1HG1 ILE 12 5.325 4.139 2.681
97 HG21 ILE 12 1HG2 ILE 12 3.597 3.415 5.256
98 HG22 ILE 12 2HG2 ILE 12 2.761 4.885 5.759
99 HG23 ILE 12 3HG2 ILE 12 4.485 4.694 6.083
100 HD11 ILE 12 3HD1 ILE 12 5.678 6.560 2.363
101 HD12 ILE 12 1HD1 ILE 12 7.190 5.721 2.728
102 HD13 ILE 12 2HD1 ILE 12 6.360 6.670 3.961
103 H ASP 13 H ASP 13 3.792 3.414 1.021
104 HA ASP 13 HA ASP 13 4.947 5.553 -0.362
105 HB2 ASP 13 2HB ASP 13 5.226 2.813 -0.538
106 HB3 ASP 13 1HB ASP 13 4.481 3.244 -2.081
107 H PHE 14 H PHE 14 1.906 3.873 -0.570
108 HA PHE 14 HA PHE 14 0.831 5.000 -2.850
109 HB2 PHE 14 2HB PHE 14 -0.363 3.270 -1.730
110 HB3 PHE 14 1HB PHE 14 -0.346 4.144 -0.208
111 HD1 PHE 14 HD1 PHE 14 -2.107 5.434 0.404
112 HD2 PHE 14 HD2 PHE 14 -1.735 4.240 -3.632
113 HE1 PHE 14 HE1 PHE 14 -4.359 6.343 -0.039
114 HE2 PHE 14 HE2 PHE 14 -3.990 5.139 -4.125
115 HZ PHE 14 HZ PHE 14 -5.305 6.195 -2.323
116 H LEU 15 H LEU 15 0.604 6.236 0.514
117 HA LEU 15 HA LEU 15 -0.408 8.755 -0.487
118 HB2 LEU 15 2HB LEU 15 -0.372 9.573 1.735
119 HB3 LEU 15 1HB LEU 15 -1.077 7.967 1.689
120 HG LEU 15 HG LEU 15 1.723 7.792 2.195
121 HD11 LEU 15 1HD1 LEU 15 1.774 8.850 4.359
122 HD12 LEU 15 2HD1 LEU 15 0.134 9.487 4.111
123 HD13 LEU 15 3HD1 LEU 15 1.471 10.008 3.066
124 HD21 LEU 15 3HD2 LEU 15 -0.799 7.094 3.607
125 HD22 LEU 15 1HD2 LEU 15 0.840 6.598 4.134
126 HD23 LEU 15 2HD2 LEU 15 0.233 6.153 2.514
127 H ARG 16 H ARG 16 2.550 7.511 -0.390
128 HA ARG 16 HA ARG 16 4.160 9.821 0.273
129 HB2 ARG 16 2HB ARG 16 5.284 7.742 0.446
130 HB3 ARG 16 1HB ARG 16 4.572 7.216 -1.079
131 HG2 ARG 16 2HG ARG 16 5.991 8.469 -2.334
132 HG3 ARG 16 1HG ARG 16 6.522 9.403 -0.947
133 HD2 ARG 16 2HD ARG 16 7.551 7.271 -0.049
134 HD3 ARG 16 1HD ARG 16 7.007 6.442 -1.490
135 HE ARG 16 HE ARG 16 8.948 8.647 -1.560
136 HH11 ARG 16 1HH1 ARG 16 7.886 5.426 -2.743
137 HH12 ARG 16 2HH1 ARG 16 9.210 5.157 -3.700
138 HH21 ARG 16 2HH2 ARG 16 10.953 6.800 -3.847
139 HH22 ARG 16 1HH2 ARG 16 10.862 8.256 -2.966
140 H GLN 17 H GLN 17 2.654 8.390 -2.211
141 HA GLN 17 HA GLN 17 3.751 9.915 -4.364
142 HB2 GLN 17 2HB GLN 17 3.229 7.819 -5.072
143 HB3 GLN 17 1HB GLN 17 1.916 7.652 -3.934
144 HG2 GLN 17 2HG GLN 17 0.958 7.529 -5.973
145 HG3 GLN 17 1HG GLN 17 0.652 9.142 -5.329
146 HE21 GLN 17 2HE2 GLN 17 3.196 10.441 -7.827
147 HE22 GLN 17 1HE2 GLN 17 3.173 10.337 -6.102
148 H ASN 18 H ASN 18 0.843 9.819 -2.412
149 HA ASN 18 HA ASN 18 -0.426 11.991 -3.813
150 HB2 ASN 18 2HB ASN 18 -1.038 10.954 -1.036
151 HB3 ASN 18 1HB ASN 18 -2.122 11.843 -2.101
152 HD21 ASN 18 2HD2 ASN 18 -2.557 8.085 -2.133
153 HD22 ASN 18 1HD2 ASN 18 -2.313 9.220 -0.842
154 H GLY 19 H GLY 19 1.540 11.571 -0.972
155 HA2 GLY 19 2HA GLY 19 2.966 13.761 -0.781
156 HA3 GLY 19 1HA GLY 19 1.395 14.379 -0.284
157 H LYS 20 H LYS 20 3.986 12.005 0.576
158 HA LYS 20 HA LYS 20 3.288 11.000 2.913
159 HB2 LYS 20 2HB LYS 20 5.764 11.131 3.371
160 HB3 LYS 20 1HB LYS 20 5.328 10.453 1.820
161 HG2 LYS 20 2HG LYS 20 5.655 13.058 1.128
162 HG3 LYS 20 1HG LYS 20 6.815 12.921 2.452
163 HD2 LYS 20 2HD LYS 20 7.679 10.821 1.289
164 HD3 LYS 20 1HD LYS 20 6.697 11.307 -0.092
165 HE2 LYS 20 2HE LYS 20 8.838 12.133 -0.577
166 HE3 LYS 20 1HE LYS 20 7.936 13.522 0.025
167 HZ1 LYS 20 3HZ LYS 20 10.149 13.500 1.114
168 HZ2 LYS 20 1HZ LYS 20 9.896 11.914 1.626
169 HZ3 LYS 20 2HZ LYS 20 8.980 13.060 2.256
170 H SER 21 H SER 21 3.554 11.699 5.261
171 HA SER 21 HA SER 21 3.429 14.466 5.818
172 HB2 SER 21 2HB SER 21 1.588 14.403 4.141
173 HB3 SER 21 1HB SER 21 0.761 13.194 5.111
174 HG SER 21 HG SER 21 -0.133 15.147 5.529
175 H ILE 22 H ILE 22 1.163 14.369 7.505
176 HA ILE 22 HA ILE 22 2.400 13.116 9.768
177 HB ILE 22 HB ILE 22 0.532 14.028 11.103
178 HG12 ILE 22 2HG1 ILE 22 -0.450 15.142 8.454
179 HG13 ILE 22 1HG1 ILE 22 -1.238 13.871 9.378
180 HG21 ILE 22 1HG2 ILE 22 1.860 15.993 9.239
181 HG22 ILE 22 2HG2 ILE 22 2.522 15.367 10.749
182 HG23 ILE 22 3HG2 ILE 22 1.096 16.406 10.773
183 HD11 ILE 22 3HD1 ILE 22 -0.863 16.728 10.258
184 HD12 ILE 22 1HD1 ILE 22 -1.653 15.458 11.194
185 HD13 ILE 22 2HD1 ILE 22 -2.360 16.002 9.673
186 H ALA 23 H ALA 23 1.330 11.759 11.274
187 HA ALA 23 HA ALA 23 0.497 9.339 10.232
188 HB1 ALA 23 1HB ALA 23 -0.011 10.415 13.000
189 HB2 ALA 23 2HB ALA 23 1.473 9.631 12.459
190 HB3 ALA 23 3HB ALA 23 -0.034 8.716 12.528
191 H LEU 24 H LEU 24 -1.385 12.131 11.022
192 HA LEU 24 HA LEU 24 -3.911 10.840 11.222
193 HB2 LEU 24 2HB LEU 24 -3.338 13.101 12.181
194 HB3 LEU 24 1HB LEU 24 -3.285 13.733 10.558
195 HG LEU 24 HG LEU 24 -5.813 12.582 11.774
196 HD11 LEU 24 1HD1 LEU 24 -6.465 14.894 12.240
197 HD12 LEU 24 2HD1 LEU 24 -4.872 15.447 11.720
198 HD13 LEU 24 3HD1 LEU 24 -5.030 14.431 13.154
199 HD21 LEU 24 3HD2 LEU 24 -5.378 14.501 9.474
200 HD22 LEU 24 1HD2 LEU 24 -6.938 13.911 10.050
201 HD23 LEU 24 2HD2 LEU 24 -5.784 12.796 9.311
202 H THR 25 H THR 25 -1.983 12.247 8.585
203 HA THR 25 HA THR 25 -4.024 12.127 6.652
204 HB THR 25 HB THR 25 -1.031 12.020 6.294
205 HG1 THR 25 HG1 THR 25 -2.808 14.007 6.987
206 HG21 THR 25 3HG2 THR 25 -3.252 12.852 4.401
207 HG22 THR 25 1HG2 THR 25 -2.392 11.319 4.365
208 HG23 THR 25 2HG2 THR 25 -1.518 12.819 4.021
209 H ILE 26 H ILE 26 -1.246 10.048 7.429
210 HA ILE 26 HA ILE 26 -1.573 8.020 5.585
211 HB ILE 26 HB ILE 26 -0.836 7.457 8.491
212 HG12 ILE 26 2HG1 ILE 26 0.932 8.431 6.204
213 HG13 ILE 26 1HG1 ILE 26 0.493 9.365 7.619
214 HG21 ILE 26 1HG2 ILE 26 -0.126 6.054 5.923
215 HG22 ILE 26 2HG2 ILE 26 -1.239 5.500 7.175
216 HG23 ILE 26 3HG2 ILE 26 0.483 5.642 7.532
217 HD11 ILE 26 3HD1 ILE 26 2.167 6.864 7.617
218 HD12 ILE 26 1HD1 ILE 26 1.736 7.814 9.039
219 HD13 ILE 26 2HD1 ILE 26 2.761 8.515 7.787
220 H ALA 27 H ALA 27 -3.130 8.406 8.691
221 HA ALA 27 HA ALA 27 -4.600 6.063 8.806
222 HB1 ALA 27 1HB ALA 27 -5.359 8.763 9.869
223 HB2 ALA 27 2HB ALA 27 -4.264 7.619 10.640
224 HB3 ALA 27 3HB ALA 27 -5.968 7.197 10.427
225 H LYS 28 H LYS 28 -5.357 9.110 7.161
226 HA LYS 28 HA LYS 28 -7.993 8.068 6.536
227 HB2 LYS 28 2HB LYS 28 -6.710 10.699 5.882
228 HB3 LYS 28 1HB LYS 28 -8.343 10.245 5.421
229 HG2 LYS 28 2HG LYS 28 -7.374 10.394 8.277
230 HG3 LYS 28 1HG LYS 28 -8.176 11.714 7.445
231 HD2 LYS 28 2HD LYS 28 -10.044 10.847 8.427
232 HD3 LYS 28 1HD LYS 28 -10.009 9.746 7.065
233 HE2 LYS 28 2HE LYS 28 -8.654 9.055 9.683
234 HE3 LYS 28 1HE LYS 28 -10.373 8.803 9.465
235 HZ1 LYS 28 3HZ LYS 28 -9.795 7.266 7.580
236 HZ2 LYS 28 1HZ LYS 28 -9.185 6.773 9.061
237 HZ3 LYS 28 2HZ LYS 28 -8.150 7.432 8.003
238 H GLU 29 H GLU 29 -4.940 8.548 4.953
239 HA GLU 29 HA GLU 29 -5.661 8.082 2.300
240 HB2 GLU 29 2HB GLU 29 -3.186 7.245 3.813
241 HB3 GLU 29 1HB GLU 29 -3.338 7.263 2.063
242 HG2 GLU 29 2HG GLU 29 -3.646 9.682 3.801
243 HG3 GLU 29 1HG GLU 29 -2.129 9.209 3.046
244 H ILE 30 H ILE 30 -4.857 5.863 4.911
245 HA ILE 30 HA ILE 30 -5.480 3.589 3.187
246 HB ILE 30 HB ILE 30 -4.702 2.129 5.017
247 HG12 ILE 30 2HG1 ILE 30 -4.130 4.713 6.502
248 HG13 ILE 30 1HG1 ILE 30 -5.364 3.547 6.944
249 HG21 ILE 30 1HG2 ILE 30 -2.336 2.784 4.970
250 HG22 ILE 30 2HG2 ILE 30 -2.797 4.356 4.316
251 HG23 ILE 30 3HG2 ILE 30 -3.096 2.889 3.381
252 HD11 ILE 30 3HD1 ILE 30 -2.384 3.094 6.968
253 HD12 ILE 30 1HD1 ILE 30 -3.602 1.886 7.382
254 HD13 ILE 30 2HD1 ILE 30 -3.424 3.333 8.373
255 H GLY 31 H GLY 31 -7.174 5.628 4.943
256 HA2 GLY 31 2HA GLY 31 -9.427 5.637 5.467
257 HA3 GLY 31 1HA GLY 31 -9.495 3.951 4.996
258 H LEU 32 H LEU 32 -7.124 3.989 7.173
259 HA LEU 32 HA LEU 32 -8.933 2.809 9.144
260 HB2 LEU 32 2HB LEU 32 -5.920 2.749 9.215
261 HB3 LEU 32 1HB LEU 32 -7.031 1.684 10.042
262 HG LEU 32 HG LEU 32 -6.262 1.708 7.145
263 HD11 LEU 32 1HD1 LEU 32 -5.718 -0.620 7.526
264 HD12 LEU 32 2HD1 LEU 32 -6.183 -0.445 9.218
265 HD13 LEU 32 3HD1 LEU 32 -4.817 0.468 8.581
266 HD21 LEU 32 3HD2 LEU 32 -8.613 1.535 7.123
267 HD22 LEU 32 1HD2 LEU 32 -8.621 0.240 8.338
268 HD23 LEU 32 2HD2 LEU 32 -7.917 -0.035 6.727
269 H ASP 33 H ASP 33 -7.220 3.011 11.422
270 HA ASP 33 HA ASP 33 -7.825 5.778 12.164
271 HB2 ASP 33 2HB ASP 33 -8.717 3.825 13.572
272 HB3 ASP 33 1HB ASP 33 -7.056 3.541 14.018
273 H LYS 34 H LYS 34 -6.380 6.942 13.421
274 HA LYS 34 HA LYS 34 -3.709 6.967 12.565
275 HB2 LYS 34 2HB LYS 34 -3.318 8.653 14.385
276 HB3 LYS 34 1HB LYS 34 -4.623 9.054 13.289
277 HG2 LYS 34 2HG LYS 34 -5.303 7.672 15.851
278 HG3 LYS 34 1HG LYS 34 -4.849 9.372 15.912
279 HD2 LYS 34 2HD LYS 34 -6.645 9.936 14.365
280 HD3 LYS 34 1HD LYS 34 -7.073 8.242 14.177
281 HE2 LYS 34 2HE LYS 34 -7.176 9.729 16.804
282 HE3 LYS 34 1HE LYS 34 -8.556 9.542 15.726
283 HZ1 LYS 34 3HZ LYS 34 -8.439 7.187 15.971
284 HZ2 LYS 34 1HZ LYS 34 -8.535 7.828 17.514
285 HZ3 LYS 34 2HZ LYS 34 -7.080 7.196 16.852
286 H SER 35 H SER 35 -5.232 5.325 15.255
287 HA SER 35 HA SER 35 -2.977 4.877 16.832
288 HB2 SER 35 2HB SER 35 -5.280 4.462 17.612
289 HB3 SER 35 1HB SER 35 -5.433 3.137 16.463
290 HG SER 35 HG SER 35 -4.731 2.806 18.839
291 H THR 36 H THR 36 -4.323 2.992 14.117
292 HA THR 36 HA THR 36 -2.317 1.024 14.466
293 HB THR 36 HB THR 36 -4.492 0.451 13.338
294 HG1 THR 36 HG1 THR 36 -2.399 -0.160 11.527
295 HG21 THR 36 3HG2 THR 36 -3.291 1.890 10.961
296 HG22 THR 36 1HG2 THR 36 -4.710 2.411 11.869
297 HG23 THR 36 2HG2 THR 36 -4.761 0.916 10.935
298 H VAL 37 H VAL 37 -2.541 3.917 12.439
299 HA VAL 37 HA VAL 37 -0.275 3.575 10.921
300 HB VAL 37 HB VAL 37 -1.530 5.997 12.126
301 HG11 VAL 37 1HG1 VAL 37 0.433 5.835 9.834
302 HG12 VAL 37 2HG1 VAL 37 0.726 6.488 11.452
303 HG13 VAL 37 3HG1 VAL 37 -0.404 7.297 10.385
304 HG21 VAL 37 3HG2 VAL 37 -1.866 4.730 9.423
305 HG22 VAL 37 1HG2 VAL 37 -2.573 6.270 9.908
306 HG23 VAL 37 2HG2 VAL 37 -3.054 4.782 10.726
307 H ASN 38 H ASN 38 -0.634 5.224 14.056
308 HA ASN 38 HA ASN 38 2.010 5.972 14.321
309 HB2 ASN 38 2HB ASN 38 -0.151 5.568 16.347
310 HB3 ASN 38 1HB ASN 38 1.495 5.878 16.880
311 HD21 ASN 38 2HD2 ASN 38 -0.743 8.849 15.335
312 HD22 ASN 38 1HD2 ASN 38 -1.287 7.196 15.282
313 H ARG 39 H ARG 39 0.474 3.008 15.397
314 HA ARG 39 HA ARG 39 2.786 2.107 16.803
315 HB2 ARG 39 2HB ARG 39 1.757 -0.098 16.909
316 HB3 ARG 39 1HB ARG 39 0.555 1.143 17.265
317 HG2 ARG 39 2HG ARG 39 -0.273 0.930 14.963
318 HG3 ARG 39 1HG ARG 39 0.907 -0.332 14.680
319 HD2 ARG 39 2HD ARG 39 -0.130 -1.713 16.406
320 HD3 ARG 39 1HD ARG 39 -1.322 -0.443 16.704
321 HE ARG 39 HE ARG 39 -1.412 -0.967 14.010
322 HH11 ARG 39 1HH1 ARG 39 -2.032 -2.845 16.929
323 HH12 ARG 39 2HH1 ARG 39 -3.212 -3.850 16.220
324 HH21 ARG 39 2HH2 ARG 39 -3.785 -3.509 13.866
325 HH22 ARG 39 1HH2 ARG 39 -2.991 -2.244 13.036
326 H HIS 40 H HIS 40 1.686 1.708 13.524
327 HA HIS 40 HA HIS 40 3.667 -0.234 12.860
328 HB2 HIS 40 2HB HIS 40 1.748 1.355 11.168
329 HB3 HIS 40 1HB HIS 40 3.034 0.433 10.434
330 HD1 HIS 40 HD1 HIS 40 2.675 -2.195 10.304
331 HD2 HIS 40 HD2 HIS 40 -0.262 -0.146 12.441
332 HE1 HIS 40 HE1 HIS 40 0.853 -3.842 10.753
333 H LEU 41 H LEU 41 3.524 3.236 12.699
334 HA LEU 41 HA LEU 41 5.877 3.320 11.085
335 HB2 LEU 41 2HB LEU 41 5.789 5.748 11.327
336 HB3 LEU 41 1HB LEU 41 4.284 5.079 10.741
337 HG LEU 41 HG LEU 41 3.557 5.259 13.223
338 HD11 LEU 41 1HD1 LEU 41 5.778 7.288 13.200
339 HD12 LEU 41 2HD1 LEU 41 5.694 5.815 14.169
340 HD13 LEU 41 3HD1 LEU 41 4.529 7.106 14.440
341 HD21 LEU 41 3HD2 LEU 41 3.884 7.657 11.464
342 HD22 LEU 41 1HD2 LEU 41 2.732 7.482 12.807
343 HD23 LEU 41 2HD2 LEU 41 2.632 6.414 11.390
344 H TYR 42 H TYR 42 5.145 3.417 14.543
345 HA TYR 42 HA TYR 42 7.511 4.355 15.431
346 HB2 TYR 42 2HB TYR 42 5.309 2.629 16.219
347 HB3 TYR 42 1HB TYR 42 6.686 2.594 17.238
348 HD1 TYR 42 HD1 TYR 42 3.995 3.332 18.103
349 HD2 TYR 42 HD2 TYR 42 7.015 5.818 16.476
350 HE1 TYR 42 HE1 TYR 42 2.947 5.302 19.183
351 HE2 TYR 42 HE2 TYR 42 5.999 7.783 17.535
352 HH TYR 42 HH TYR 42 3.726 8.447 18.339
353 H ASN 43 H ASN 43 6.417 1.221 14.399
354 HA ASN 43 HA ASN 43 8.675 -0.361 15.060
355 HB2 ASN 43 2HB ASN 43 6.878 -0.666 12.629
356 HB3 ASN 43 1HB ASN 43 7.953 -1.902 13.266
357 HD21 ASN 43 2HD2 ASN 43 4.363 -2.254 14.372
358 HD22 ASN 43 1HD2 ASN 43 5.071 -1.892 12.840
359 H LEU 44 H LEU 44 7.847 1.363 12.140
360 HA LEU 44 HA LEU 44 10.176 0.797 10.638
361 HB2 LEU 44 2HB LEU 44 8.470 3.239 10.387
362 HB3 LEU 44 1HB LEU 44 9.389 2.480 9.147
363 HG LEU 44 HG LEU 44 6.922 1.351 10.409
364 HD11 LEU 44 1HD1 LEU 44 7.416 2.560 7.697
365 HD12 LEU 44 2HD1 LEU 44 6.550 3.318 9.029
366 HD13 LEU 44 3HD1 LEU 44 5.908 1.858 8.284
367 HD21 LEU 44 3HD2 LEU 44 8.465 -0.408 9.695
368 HD22 LEU 44 1HD2 LEU 44 8.590 0.336 8.103
369 HD23 LEU 44 2HD2 LEU 44 7.053 -0.338 8.646
370 H GLN 45 H GLN 45 9.329 3.304 12.917
371 HA GLN 45 HA GLN 45 11.150 5.321 12.335
372 HB2 GLN 45 2HB GLN 45 9.187 5.371 13.944
373 HB3 GLN 45 1HB GLN 45 10.221 4.520 15.037
374 HG2 GLN 45 2HG GLN 45 11.685 6.235 15.367
375 HG3 GLN 45 1HG GLN 45 11.224 7.057 13.875
376 HE21 GLN 45 2HE2 GLN 45 8.599 8.762 15.226
377 HE22 GLN 45 1HE2 GLN 45 9.405 8.242 13.807
378 H ARG 46 H ARG 46 11.289 2.699 14.491
379 HA ARG 46 HA ARG 46 13.910 3.268 15.556
380 HB2 ARG 46 2HB ARG 46 12.150 0.858 15.678
381 HB3 ARG 46 1HB ARG 46 13.694 0.976 16.515
382 HG2 ARG 46 2HG ARG 46 12.936 2.718 17.887
383 HG3 ARG 46 1HG ARG 46 11.506 2.984 16.881
384 HD2 ARG 46 2HD ARG 46 12.036 0.368 18.026
385 HD3 ARG 46 1HD ARG 46 11.305 1.604 19.099
386 HE ARG 46 HE ARG 46 9.859 1.518 16.741
387 HH11 ARG 46 1HH1 ARG 46 10.633 -0.816 19.307
388 HH12 ARG 46 2HH1 ARG 46 9.170 -1.681 19.191
389 HH21 ARG 46 2HH2 ARG 46 7.514 -1.025 17.561
390 HH22 ARG 46 1HH2 ARG 46 7.809 0.311 16.597
391 H SER 47 H SER 47 12.754 1.659 12.912
392 HA SER 47 HA SER 47 15.259 0.265 12.371
393 HB2 SER 47 2HB SER 47 13.153 -0.973 12.042
394 HB3 SER 47 1HB SER 47 12.636 0.219 10.855
395 HG SER 47 HG SER 47 14.803 -0.428 9.868
396 H ASN 48 H ASN 48 14.243 3.422 11.929
397 HA ASN 48 HA ASN 48 14.675 5.092 10.572
398 HB2 ASN 48 2HB ASN 48 16.998 3.305 9.960
399 HB3 ASN 48 1HB ASN 48 16.837 4.862 9.142
400 HD21 ASN 48 2HD2 ASN 48 18.740 6.128 11.759
401 HD22 ASN 48 1HD2 ASN 48 18.632 5.759 10.063
402 H GLN 49 H GLN 49 12.835 3.201 9.674
403 HA GLN 49 HA GLN 49 13.225 3.064 6.761
404 HB2 GLN 49 2HB GLN 49 12.506 1.078 8.211
405 HB3 GLN 49 1HB GLN 49 11.015 1.908 8.517
406 HG2 GLN 49 2HG GLN 49 11.998 0.687 5.940
407 HG3 GLN 49 1HG GLN 49 10.605 0.218 6.897
408 HE21 GLN 49 2HE2 GLN 49 8.526 2.731 5.562
409 HE22 GLN 49 1HE2 GLN 49 8.817 1.681 6.905
410 H VAL 50 H VAL 50 11.432 4.449 9.399
411 HA VAL 50 HA VAL 50 10.503 6.521 7.660
412 HB VAL 50 HB VAL 50 8.637 4.698 8.283
413 HG11 VAL 50 1HG1 VAL 50 8.437 6.516 10.670
414 HG12 VAL 50 2HG1 VAL 50 9.216 4.975 10.715
415 HG13 VAL 50 3HG1 VAL 50 7.467 5.065 10.342
416 HG21 VAL 50 3HG2 VAL 50 6.913 6.453 8.177
417 HG22 VAL 50 1HG2 VAL 50 8.195 6.709 6.990
418 HG23 VAL 50 2HG2 VAL 50 8.157 7.672 8.469
419 H PHE 51 H PHE 51 10.143 8.398 9.057
420 HA PHE 51 HA PHE 51 10.366 8.366 11.813
421 HB2 PHE 51 2HB PHE 51 12.611 9.869 11.868
422 HB3 PHE 51 1HB PHE 51 12.666 8.127 11.910
423 HD1 PHE 51 HD1 PHE 51 13.906 6.969 10.459
424 HD2 PHE 51 HD2 PHE 51 12.936 10.995 9.541
425 HE1 PHE 51 HE1 PHE 51 15.435 6.856 8.605
426 HE2 PHE 51 HE2 PHE 51 14.489 10.928 7.627
427 HZ PHE 51 HZ PHE 51 15.752 8.860 7.139
428 H ASN 52 H ASN 52 11.333 11.084 12.138
429 HA ASN 52 HA ASN 52 9.279 12.512 10.605
430 HB2 ASN 52 2HB ASN 52 10.514 13.263 13.258
431 HB3 ASN 52 1HB ASN 52 9.256 14.106 12.404
432 HD21 ASN 52 2HD2 ASN 52 6.607 12.211 13.454
433 HD22 ASN 52 1HD2 ASN 52 7.188 13.466 12.421
434 H SER 53 H SER 53 9.950 14.548 9.749
435 HA SER 53 HA SER 53 12.827 14.988 9.668
436 HB2 SER 53 2HB SER 53 12.593 13.082 8.196
437 HB3 SER 53 1HB SER 53 11.255 13.834 7.348
438 HG SER 53 HG SER 53 13.834 14.993 7.417
439 H ASN 54 H ASN 54 13.407 16.809 8.322
440 HA ASN 54 HA ASN 54 13.279 18.644 7.041
441 HB2 ASN 54 2HB ASN 54 11.647 17.591 5.631
442 HB3 ASN 54 1HB ASN 54 10.352 17.973 6.748
443 HD21 ASN 54 2HD2 ASN 54 9.777 21.155 5.400
444 HD22 ASN 54 1HD2 ASN 54 9.308 20.041 6.587
445 H GLU 55 H GLU 55 11.452 18.609 10.002
446 HA GLU 55 HA GLU 55 11.840 21.436 10.282
447 HB2 GLU 55 2HB GLU 55 9.393 22.028 10.298
448 HB3 GLU 55 1HB GLU 55 10.100 21.664 8.733
449 HG2 GLU 55 2HG GLU 55 9.200 19.401 8.874
450 HG3 GLU 55 1HG GLU 55 8.366 19.804 10.369
451 H LYS 56 H LYS 56 9.942 22.212 12.007
452 HA LYS 56 HA LYS 56 10.720 20.823 14.382
453 HB2 LYS 56 2HB LYS 56 9.000 23.288 14.081
454 HB3 LYS 56 1HB LYS 56 9.344 22.525 15.626
455 HG2 LYS 56 2HG LYS 56 11.758 22.876 15.210
456 HG3 LYS 56 1HG LYS 56 11.343 23.731 13.726
457 HD2 LYS 56 2HD LYS 56 11.775 25.312 15.538
458 HD3 LYS 56 1HD LYS 56 10.086 25.388 15.041
459 HE2 LYS 56 2HE LYS 56 10.340 25.460 17.489
460 HE3 LYS 56 1HE LYS 56 9.429 24.048 16.978
461 HZ1 LYS 56 3HZ LYS 56 11.448 22.715 17.236
462 HZ2 LYS 56 1HZ LYS 56 11.040 23.489 18.681
463 HZ3 LYS 56 2HZ LYS 56 12.310 24.082 17.735
464 HA PRO 57 HA PRO 57 6.495 18.932 14.388
465 HB2 PRO 57 2HB PRO 57 4.637 19.773 12.448
466 HB3 PRO 57 1HB PRO 57 4.649 20.361 14.121
467 HG2 PRO 57 2HG PRO 57 5.147 21.902 11.830
468 HG3 PRO 57 1HG PRO 57 5.415 22.381 13.516
469 HD2 PRO 57 2HD PRO 57 7.369 21.368 11.518
470 HD3 PRO 57 1HD PRO 57 7.599 22.535 12.837
471 HA PRO 58 HA PRO 58 8.596 17.704 10.584
472 HB2 PRO 58 2HB PRO 58 10.006 15.550 11.534
473 HB3 PRO 58 1HB PRO 58 10.499 17.227 11.654
474 HG2 PRO 58 2HG PRO 58 9.706 15.541 13.832
475 HG3 PRO 58 1HG PRO 58 10.329 17.195 13.862
476 HD2 PRO 58 2HD PRO 58 7.562 16.271 14.053
477 HD3 PRO 58 1HD PRO 58 8.275 17.834 14.499
478 H VAL 59 H VAL 59 8.380 16.387 9.007
479 HA VAL 59 HA VAL 59 5.902 15.101 8.609
480 HB VAL 59 HB VAL 59 7.374 16.217 6.907
481 HG11 VAL 59 1HG1 VAL 59 9.040 14.889 5.705
482 HG12 VAL 59 2HG1 VAL 59 8.956 13.690 7.000
483 HG13 VAL 59 3HG1 VAL 59 9.495 15.329 7.350
484 HG21 VAL 59 3HG2 VAL 59 5.471 15.051 6.068
485 HG22 VAL 59 1HG2 VAL 59 6.266 13.486 6.311
486 HG23 VAL 59 2HG2 VAL 59 6.856 14.558 5.071
487 H TRP 60 H TRP 60 5.174 13.145 8.697
488 HA TRP 60 HA TRP 60 7.004 11.214 9.811
489 HB2 TRP 60 2HB TRP 60 4.026 10.927 9.219
490 HB3 TRP 60 1HB TRP 60 5.035 9.877 10.221
491 HD1 TRP 60 HD1 TRP 60 4.142 13.693 10.335
492 HE1 TRP 60 HE1 TRP 60 3.633 14.360 12.745
493 HE3 TRP 60 HE3 TRP 60 4.875 9.175 12.611
494 HZ2 TRP 60 HZ2 TRP 60 3.536 13.166 15.278
495 HZ3 TRP 60 HZ3 TRP 60 4.550 9.044 15.056
496 HH2 TRP 60 HH2 TRP 60 3.897 10.992 16.350
497 H ASP 61 H ASP 61 8.230 10.707 8.341
498 HA ASP 61 HA ASP 61 7.813 9.330 5.963
499 HB2 ASP 61 2HB ASP 61 6.622 11.253 5.141
500 HB3 ASP 61 1HB ASP 61 7.754 12.332 5.908
501 H LEU 62 H LEU 62 9.874 10.161 4.571
502 HA LEU 62 HA LEU 62 12.046 10.787 6.333
503 HB2 LEU 62 2HB LEU 62 13.450 8.936 5.686
504 HB3 LEU 62 1HB LEU 62 11.885 8.375 6.222
505 HG LEU 62 HG LEU 62 12.571 6.925 4.498
506 HD11 LEU 62 1HD1 LEU 62 10.921 7.130 2.722
507 HD12 LEU 62 2HD1 LEU 62 10.509 8.731 3.335
508 HD13 LEU 62 3HD1 LEU 62 10.269 7.310 4.350
509 HD21 LEU 62 3HD2 LEU 62 13.136 9.298 2.728
510 HD22 LEU 62 1HD2 LEU 62 13.197 7.611 2.216
511 HD23 LEU 62 2HD2 LEU 62 14.319 8.201 3.441
512 H MET 63 H MET 63 13.261 12.367 5.502
513 HA MET 63 HA MET 63 13.222 12.742 2.603
514 HB2 MET 63 2HB MET 63 11.369 14.064 3.729
515 HB3 MET 63 1HB MET 63 12.622 14.957 4.573
516 HG2 MET 63 2HG MET 63 11.884 16.265 2.725
517 HG3 MET 63 1HG MET 63 13.508 15.679 2.369
518 HE1 MET 63 3HE MET 63 11.902 15.776 -1.179
519 HE2 MET 63 1HE MET 63 13.267 16.260 -0.175
520 HE3 MET 63 2HE MET 63 11.661 16.917 0.144
521 H GLU 64 H GLU 64 15.087 12.217 5.237
522 HA GLU 64 HA GLU 64 17.324 13.528 4.199
523 HB2 GLU 64 2HB GLU 64 17.885 14.641 6.338
524 HB3 GLU 64 1HB GLU 64 16.372 15.277 5.724
525 HG2 GLU 64 2HG GLU 64 15.214 13.669 7.316
526 HG3 GLU 64 1HG GLU 64 16.797 13.406 8.038
Start of MODEL 8
1 HA MET 1 HA MET 1 9.153 -8.480 -3.735
2 HB2 MET 1 2HB MET 1 11.182 -7.984 -2.443
3 HB3 MET 1 1HB MET 1 10.872 -6.683 -3.578
4 HG2 MET 1 2HG MET 1 9.959 -5.313 -1.776
5 HG3 MET 1 1HG MET 1 10.218 -6.627 -0.636
6 HE1 MET 1 2HE MET 1 12.648 -5.441 -3.573
7 HE2 MET 1 3HE MET 1 13.643 -4.285 -2.690
8 HE3 MET 1 1HE MET 1 11.935 -3.948 -2.958
9 H SER 2 H SER 2 9.889 -9.850 -1.730
10 HA SER 2 HA SER 2 7.648 -9.824 0.100
11 HB2 SER 2 2HB SER 2 9.721 -11.956 -0.456
12 HB3 SER 2 1HB SER 2 8.215 -12.150 0.449
13 HG SER 2 HG SER 2 7.561 -12.773 -1.479
14 H ALA 3 H ALA 3 8.083 -8.671 1.894
15 HA ALA 3 HA ALA 3 10.280 -9.306 3.582
16 HB1 ALA 3 1HB ALA 3 11.102 -6.971 3.723
17 HB2 ALA 3 2HB ALA 3 10.040 -6.521 2.391
18 HB3 ALA 3 3HB ALA 3 11.372 -7.639 2.112
19 H GLU 4 H GLU 4 9.995 -8.007 5.594
20 HA GLU 4 HA GLU 4 7.236 -8.201 6.256
21 HB2 GLU 4 2HB GLU 4 7.948 -7.953 8.581
22 HB3 GLU 4 1HB GLU 4 8.992 -9.071 7.722
23 HG2 GLU 4 2HG GLU 4 9.655 -6.273 8.648
24 HG3 GLU 4 1HG GLU 4 10.376 -7.789 9.176
25 H THR 5 H THR 5 9.570 -5.492 6.474
26 HA THR 5 HA THR 5 7.621 -3.556 7.207
27 HB THR 5 HB THR 5 9.502 -1.942 6.672
28 HG1 THR 5 HG1 THR 5 11.053 -4.321 6.351
29 HG21 THR 5 3HG2 THR 5 10.162 -4.252 8.516
30 HG22 THR 5 1HG2 THR 5 9.168 -2.859 8.941
31 HG23 THR 5 2HG2 THR 5 10.879 -2.644 8.580
32 H GLN 6 H GLN 6 7.991 -5.066 4.456
33 HA GLN 6 HA GLN 6 7.852 -3.111 2.438
34 HB2 GLN 6 2HB GLN 6 8.436 -5.398 1.918
35 HB3 GLN 6 1HB GLN 6 6.900 -5.975 2.526
36 HG2 GLN 6 2HG GLN 6 6.751 -6.124 0.194
37 HG3 GLN 6 1HG GLN 6 5.828 -4.698 0.618
38 HE21 GLN 6 2HE2 GLN 6 8.788 -2.721 -0.723
39 HE22 GLN 6 1HE2 GLN 6 8.256 -2.972 0.879
40 H MET 7 H MET 7 5.529 -4.424 4.672
41 HA MET 7 HA MET 7 3.235 -3.639 3.135
42 HB2 MET 7 2HB MET 7 3.415 -4.349 6.068
43 HB3 MET 7 1HB MET 7 1.932 -4.199 5.141
44 HG2 MET 7 2HG MET 7 4.089 -6.263 4.756
45 HG3 MET 7 1HG MET 7 2.501 -6.524 5.470
46 HE1 MET 7 3HE MET 7 3.678 -8.347 3.173
47 HE2 MET 7 1HE MET 7 2.273 -8.525 2.123
48 HE3 MET 7 2HE MET 7 2.076 -8.576 3.874
49 H GLU 8 H GLU 8 4.802 -2.491 6.052
50 HA GLU 8 HA GLU 8 3.344 -0.220 6.549
51 HB2 GLU 8 2HB GLU 8 6.278 -0.769 6.988
52 HB3 GLU 8 1HB GLU 8 5.417 0.607 7.652
53 HG2 GLU 8 2HG GLU 8 5.825 -1.171 9.287
54 HG3 GLU 8 1HG GLU 8 4.120 -0.816 9.067
55 H ARG 9 H ARG 9 6.072 -0.696 4.429
56 HA ARG 9 HA ARG 9 6.338 2.114 3.890
57 HB2 ARG 9 2HB ARG 9 8.243 0.473 3.647
58 HB3 ARG 9 1HB ARG 9 7.418 -0.226 2.275
59 HG2 ARG 9 2HG ARG 9 9.291 1.255 1.624
60 HG3 ARG 9 1HG ARG 9 7.744 1.814 0.988
61 HD2 ARG 9 2HD ARG 9 7.623 3.573 2.530
62 HD3 ARG 9 1HD ARG 9 8.838 2.854 3.576
63 HE ARG 9 HE ARG 9 10.277 3.381 1.364
64 HH11 ARG 9 1HH1 ARG 9 7.861 5.446 2.761
65 HH12 ARG 9 2HH1 ARG 9 8.744 6.896 2.721
66 HH21 ARG 9 2HH2 ARG 9 10.960 6.804 1.767
67 HH22 ARG 9 1HH2 ARG 9 11.570 5.306 1.181
68 H LYS 10 H LYS 10 4.658 -0.508 2.309
69 HA LYS 10 HA LYS 10 4.084 0.912 -0.091
70 HB2 LYS 10 2HB LYS 10 2.644 -1.377 1.200
71 HB3 LYS 10 1HB LYS 10 2.123 -0.692 -0.324
72 HG2 LYS 10 2HG LYS 10 4.255 -1.306 -1.345
73 HG3 LYS 10 1HG LYS 10 4.811 -1.956 0.200
74 HD2 LYS 10 2HD LYS 10 2.421 -2.961 -1.367
75 HD3 LYS 10 1HD LYS 10 4.004 -3.736 -1.312
76 HE2 LYS 10 2HE LYS 10 3.758 -4.044 1.116
77 HE3 LYS 10 1HE LYS 10 2.172 -3.286 1.052
78 HZ1 LYS 10 3HZ LYS 10 1.379 -5.087 -0.311
79 HZ2 LYS 10 1HZ LYS 10 2.053 -5.667 1.128
80 HZ3 LYS 10 2HZ LYS 10 2.918 -5.812 -0.316
81 H ILE 11 H ILE 11 2.362 0.781 3.009
82 HA ILE 11 HA ILE 11 0.095 2.081 1.890
83 HB ILE 11 HB ILE 11 -0.672 2.242 4.215
84 HG12 ILE 11 2HG1 ILE 11 2.027 1.021 4.813
85 HG13 ILE 11 1HG1 ILE 11 1.376 2.535 5.417
86 HG21 ILE 11 1HG2 ILE 11 -1.140 0.259 2.868
87 HG22 ILE 11 2HG2 ILE 11 -0.841 -0.226 4.552
88 HG23 ILE 11 3HG2 ILE 11 0.435 -0.393 3.332
89 HD11 ILE 11 3HD1 ILE 11 -0.309 1.249 6.665
90 HD12 ILE 11 1HD1 ILE 11 1.370 0.857 7.115
91 HD13 ILE 11 2HD1 ILE 11 0.478 -0.212 6.031
92 H ILE 12 H ILE 12 2.920 3.054 3.750
93 HA ILE 12 HA ILE 12 1.853 5.675 3.865
94 HB ILE 12 HB ILE 12 3.641 6.361 5.112
95 HG12 ILE 12 2HG1 ILE 12 5.754 4.613 5.070
96 HG13 ILE 12 1HG1 ILE 12 5.214 4.636 3.412
97 HG21 ILE 12 1HG2 ILE 12 3.515 3.453 5.727
98 HG22 ILE 12 2HG2 ILE 12 2.495 4.738 6.376
99 HG23 ILE 12 3HG2 ILE 12 4.216 4.691 6.768
100 HD11 ILE 12 3HD1 ILE 12 6.885 6.462 3.715
101 HD12 ILE 12 1HD1 ILE 12 5.859 7.177 4.947
102 HD13 ILE 12 2HD1 ILE 12 5.309 7.119 3.302
103 H ASP 13 H ASP 13 3.830 3.854 1.528
104 HA ASP 13 HA ASP 13 4.979 5.931 0.239
105 HB2 ASP 13 2HB ASP 13 4.135 3.183 -0.442
106 HB3 ASP 13 1HB ASP 13 4.615 4.259 -1.733
107 H PHE 14 H PHE 14 1.824 4.465 -0.013
108 HA PHE 14 HA PHE 14 0.793 5.909 -2.130
109 HB2 PHE 14 2HB PHE 14 -0.427 4.060 -1.188
110 HB3 PHE 14 1HB PHE 14 -0.469 4.821 0.395
111 HD1 PHE 14 HD1 PHE 14 -1.854 4.840 -2.977
112 HD2 PHE 14 HD2 PHE 14 -2.012 6.470 0.905
113 HE1 PHE 14 HE1 PHE 14 -4.048 5.851 -3.517
114 HE2 PHE 14 HE2 PHE 14 -4.185 7.493 0.432
115 HZ PHE 14 HZ PHE 14 -5.228 7.186 -1.806
116 H LEU 15 H LEU 15 0.645 6.666 1.413
117 HA LEU 15 HA LEU 15 -0.420 9.176 1.116
118 HB2 LEU 15 2HB LEU 15 -0.738 8.477 3.043
119 HB3 LEU 15 1HB LEU 15 0.643 7.408 3.158
120 HG LEU 15 HG LEU 15 0.473 8.901 4.942
121 HD11 LEU 15 1HD1 LEU 15 2.706 10.034 4.972
122 HD12 LEU 15 2HD1 LEU 15 2.845 9.648 3.255
123 HD13 LEU 15 3HD1 LEU 15 2.733 8.351 4.444
124 HD21 LEU 15 3HD2 LEU 15 0.512 11.145 2.973
125 HD22 LEU 15 1HD2 LEU 15 0.850 11.397 4.689
126 HD23 LEU 15 2HD2 LEU 15 -0.715 10.768 4.201
127 H ARG 16 H ARG 16 2.827 8.087 1.104
128 HA ARG 16 HA ARG 16 4.235 10.415 1.293
129 HB2 ARG 16 2HB ARG 16 5.437 8.453 1.460
130 HB3 ARG 16 1HB ARG 16 4.630 7.770 0.064
131 HG2 ARG 16 2HG ARG 16 5.977 8.973 -1.414
132 HG3 ARG 16 1HG ARG 16 6.673 9.931 -0.109
133 HD2 ARG 16 2HD ARG 16 7.667 7.871 0.842
134 HD3 ARG 16 1HD ARG 16 6.886 6.914 -0.407
135 HE ARG 16 HE ARG 16 8.784 8.932 -1.280
136 HH11 ARG 16 1HH1 ARG 16 8.172 5.427 -0.635
137 HH12 ARG 16 2HH1 ARG 16 9.639 4.988 -1.393
138 HH21 ARG 16 2HH2 ARG 16 11.008 6.397 -2.318
139 HH22 ARG 16 1HH2 ARG 16 10.823 8.087 -2.385
140 H GLN 17 H GLN 17 2.911 8.815 -1.463
141 HA GLN 17 HA GLN 17 3.764 10.661 -3.448
142 HB2 GLN 17 2HB GLN 17 1.504 8.667 -3.527
143 HB3 GLN 17 1HB GLN 17 2.046 9.608 -4.907
144 HG2 GLN 17 2HG GLN 17 4.239 8.542 -4.775
145 HG3 GLN 17 1HG GLN 17 3.702 7.606 -3.380
146 HE21 GLN 17 2HE2 GLN 17 1.600 6.666 -6.704
147 HE22 GLN 17 1HE2 GLN 17 1.647 8.300 -6.131
148 H ASN 18 H ASN 18 0.926 10.570 -1.334
149 HA ASN 18 HA ASN 18 -0.272 12.768 -2.818
150 HB2 ASN 18 2HB ASN 18 -1.071 11.452 -0.199
151 HB3 ASN 18 1HB ASN 18 -1.964 12.776 -0.939
152 HD21 ASN 18 2HD2 ASN 18 -2.255 9.011 -2.379
153 HD22 ASN 18 1HD2 ASN 18 -1.076 9.421 -1.204
154 H GLY 19 H GLY 19 1.575 12.192 -0.007
155 HA2 GLY 19 2HA GLY 19 3.110 14.325 0.100
156 HA3 GLY 19 1HA GLY 19 1.613 14.960 0.772
157 H LYS 20 H LYS 20 4.335 12.744 1.307
158 HA LYS 20 HA LYS 20 4.109 11.493 3.592
159 HB2 LYS 20 2HB LYS 20 6.379 12.507 4.104
160 HB3 LYS 20 1HB LYS 20 6.208 11.719 2.534
161 HG2 LYS 20 2HG LYS 20 5.964 13.837 1.419
162 HG3 LYS 20 1HG LYS 20 5.869 14.683 2.953
163 HD2 LYS 20 2HD LYS 20 8.226 14.044 3.383
164 HD3 LYS 20 1HD LYS 20 8.279 13.310 1.770
165 HE2 LYS 20 2HE LYS 20 7.916 15.351 0.728
166 HE3 LYS 20 1HE LYS 20 7.405 16.125 2.220
167 HZ1 LYS 20 3HZ LYS 20 10.233 15.253 1.664
168 HZ2 LYS 20 1HZ LYS 20 9.643 15.957 3.069
169 HZ3 LYS 20 2HZ LYS 20 9.617 16.854 1.735
170 H SER 21 H SER 21 3.637 11.990 5.841
171 HA SER 21 HA SER 21 3.451 14.671 6.749
172 HB2 SER 21 2HB SER 21 0.907 13.300 5.854
173 HB3 SER 21 1HB SER 21 0.923 14.647 6.975
174 HG SER 21 HG SER 21 1.652 14.569 4.257
175 H ILE 22 H ILE 22 1.501 14.409 8.665
176 HA ILE 22 HA ILE 22 2.846 12.697 10.517
177 HB ILE 22 HB ILE 22 1.268 13.610 12.188
178 HG12 ILE 22 2HG1 ILE 22 0.129 15.186 9.854
179 HG13 ILE 22 1HG1 ILE 22 -0.689 13.873 10.688
180 HG21 ILE 22 1HG2 ILE 22 3.350 14.778 11.750
181 HG22 ILE 22 2HG2 ILE 22 2.072 15.940 12.098
182 HG23 ILE 22 3HG2 ILE 22 2.598 15.679 10.436
183 HD11 ILE 22 3HD1 ILE 22 -1.528 16.034 11.403
184 HD12 ILE 22 1HD1 ILE 22 0.095 16.523 11.890
185 HD13 ILE 22 2HD1 ILE 22 -0.723 15.211 12.737
186 H ALA 23 H ALA 23 1.471 11.462 12.094
187 HA ALA 23 HA ALA 23 0.440 9.179 10.943
188 HB1 ALA 23 1HB ALA 23 1.296 9.322 13.233
189 HB2 ALA 23 2HB ALA 23 -0.293 8.558 13.171
190 HB3 ALA 23 3HB ALA 23 -0.140 10.231 13.704
191 H LEU 24 H LEU 24 -1.265 12.090 11.871
192 HA LEU 24 HA LEU 24 -3.879 10.985 11.882
193 HB2 LEU 24 2HB LEU 24 -3.167 13.082 13.066
194 HB3 LEU 24 1HB LEU 24 -2.985 13.864 11.522
195 HG LEU 24 HG LEU 24 -5.024 14.510 12.835
196 HD11 LEU 24 1HD1 LEU 24 -5.580 13.328 10.126
197 HD12 LEU 24 2HD1 LEU 24 -4.981 14.953 10.466
198 HD13 LEU 24 3HD1 LEU 24 -6.602 14.487 10.977
199 HD21 LEU 24 3HD2 LEU 24 -6.942 13.000 12.868
200 HD22 LEU 24 1HD2 LEU 24 -5.578 12.341 13.771
201 HD23 LEU 24 2HD2 LEU 24 -5.954 11.722 12.161
202 H THR 25 H THR 25 -1.765 12.355 9.438
203 HA THR 25 HA THR 25 -3.800 12.602 7.477
204 HB THR 25 HB THR 25 -0.827 12.418 7.100
205 HG1 THR 25 HG1 THR 25 -2.518 14.462 8.045
206 HG21 THR 25 3HG2 THR 25 -1.305 13.616 5.034
207 HG22 THR 25 1HG2 THR 25 -3.013 13.789 5.519
208 HG23 THR 25 2HG2 THR 25 -2.372 12.201 5.188
209 H ILE 26 H ILE 26 -1.122 10.349 8.098
210 HA ILE 26 HA ILE 26 -1.455 8.602 6.015
211 HB ILE 26 HB ILE 26 -0.918 7.580 8.836
212 HG12 ILE 26 2HG1 ILE 26 1.074 8.697 6.805
213 HG13 ILE 26 1HG1 ILE 26 0.583 9.528 8.273
214 HG21 ILE 26 1HG2 ILE 26 -0.167 6.614 6.104
215 HG22 ILE 26 2HG2 ILE 26 -1.419 5.973 7.164
216 HG23 ILE 26 3HG2 ILE 26 0.288 5.836 7.643
217 HD11 ILE 26 3HD1 ILE 26 1.585 7.738 9.602
218 HD12 ILE 26 1HD1 ILE 26 2.755 8.488 8.517
219 HD13 ILE 26 2HD1 ILE 26 2.067 6.914 8.119
220 H ALA 27 H ALA 27 -3.201 8.657 9.059
221 HA ALA 27 HA ALA 27 -4.754 6.394 8.797
222 HB1 ALA 27 1HB ALA 27 -5.522 8.987 10.107
223 HB2 ALA 27 2HB ALA 27 -4.520 7.724 10.820
224 HB3 ALA 27 3HB ALA 27 -6.217 7.392 10.441
225 H LYS 28 H LYS 28 -5.436 9.695 7.575
226 HA LYS 28 HA LYS 28 -8.017 8.855 6.656
227 HB2 LYS 28 2HB LYS 28 -8.098 10.929 5.426
228 HB3 LYS 28 1HB LYS 28 -7.786 11.181 7.182
229 HG2 LYS 28 2HG LYS 28 -5.597 11.872 6.680
230 HG3 LYS 28 1HG LYS 28 -5.696 11.242 5.039
231 HD2 LYS 28 2HD LYS 28 -7.322 13.559 6.094
232 HD3 LYS 28 1HD LYS 28 -5.834 13.717 5.162
233 HE2 LYS 28 2HE LYS 28 -8.453 12.502 4.204
234 HE3 LYS 28 1HE LYS 28 -7.736 14.016 3.688
235 HZ1 LYS 28 3HZ LYS 28 -7.121 12.465 1.961
236 HZ2 LYS 28 1HZ LYS 28 -6.714 11.271 3.078
237 HZ3 LYS 28 2HZ LYS 28 -5.770 12.557 2.952
238 H GLU 29 H GLU 29 -4.981 9.363 5.294
239 HA GLU 29 HA GLU 29 -5.595 9.052 2.549
240 HB2 GLU 29 2HB GLU 29 -2.995 8.139 3.781
241 HB3 GLU 29 1HB GLU 29 -3.278 8.511 2.095
242 HG2 GLU 29 2HG GLU 29 -3.019 10.358 4.425
243 HG3 GLU 29 1HG GLU 29 -2.110 10.305 2.926
244 H ILE 30 H ILE 30 -4.553 6.627 4.883
245 HA ILE 30 HA ILE 30 -4.946 4.589 2.849
246 HB ILE 30 HB ILE 30 -4.071 2.943 4.444
247 HG12 ILE 30 2HG1 ILE 30 -3.785 5.279 6.359
248 HG13 ILE 30 1HG1 ILE 30 -4.926 3.959 6.552
249 HG21 ILE 30 1HG2 ILE 30 -2.425 5.447 4.154
250 HG22 ILE 30 2HG2 ILE 30 -2.486 4.076 3.041
251 HG23 ILE 30 3HG2 ILE 30 -1.781 3.887 4.650
252 HD11 ILE 30 3HD1 ILE 30 -3.023 2.396 6.771
253 HD12 ILE 30 1HD1 ILE 30 -3.012 3.649 8.006
254 HD13 ILE 30 2HD1 ILE 30 -1.914 3.755 6.630
255 H GLY 31 H GLY 31 -6.806 6.067 5.145
256 HA2 GLY 31 2HA GLY 31 -9.013 5.767 5.696
257 HA3 GLY 31 1HA GLY 31 -9.049 4.403 4.588
258 H LEU 32 H LEU 32 -6.733 4.544 7.141
259 HA LEU 32 HA LEU 32 -8.201 2.351 8.436
260 HB2 LEU 32 2HB LEU 32 -5.197 2.673 8.501
261 HB3 LEU 32 1HB LEU 32 -6.122 1.332 9.125
262 HG LEU 32 HG LEU 32 -5.432 1.992 6.285
263 HD11 LEU 32 1HD1 LEU 32 -5.108 -0.508 7.891
264 HD12 LEU 32 2HD1 LEU 32 -3.856 0.669 7.522
265 HD13 LEU 32 3HD1 LEU 32 -4.594 -0.268 6.222
266 HD21 LEU 32 3HD2 LEU 32 -7.609 0.092 7.167
267 HD22 LEU 32 1HD2 LEU 32 -6.886 0.157 5.541
268 HD23 LEU 32 2HD2 LEU 32 -7.734 1.561 6.171
269 H ASP 33 H ASP 33 -7.393 2.066 10.761
270 HA ASP 33 HA ASP 33 -8.079 4.519 12.073
271 HB2 ASP 33 2HB ASP 33 -8.974 2.313 12.843
272 HB3 ASP 33 1HB ASP 33 -7.349 1.832 13.267
273 H LYS 34 H LYS 34 -6.929 5.175 13.969
274 HA LYS 34 HA LYS 34 -4.261 5.968 13.598
275 HB2 LYS 34 2HB LYS 34 -4.458 6.745 15.936
276 HB3 LYS 34 1HB LYS 34 -5.904 7.150 15.012
277 HG2 LYS 34 2HG LYS 34 -6.795 4.884 15.920
278 HG3 LYS 34 1HG LYS 34 -5.542 5.082 17.134
279 HD2 LYS 34 2HD LYS 34 -6.538 7.168 17.849
280 HD3 LYS 34 1HD LYS 34 -7.728 7.070 16.542
281 HE2 LYS 34 2HE LYS 34 -7.431 5.166 18.866
282 HE3 LYS 34 1HE LYS 34 -8.756 6.293 18.588
283 HZ1 LYS 34 3HZ LYS 34 -9.493 4.094 17.858
284 HZ2 LYS 34 1HZ LYS 34 -8.115 3.877 16.920
285 HZ3 LYS 34 2HZ LYS 34 -9.174 4.969 16.442
286 H SER 35 H SER 35 -5.673 3.039 15.078
287 HA SER 35 HA SER 35 -3.404 2.317 16.594
288 HB2 SER 35 2HB SER 35 -5.686 1.453 17.058
289 HB3 SER 35 1HB SER 35 -5.667 0.606 15.514
290 HG SER 35 HG SER 35 -4.462 -0.013 17.907
291 H THR 36 H THR 36 -4.560 1.644 13.310
292 HA THR 36 HA THR 36 -2.519 -0.142 12.724
293 HB THR 36 HB THR 36 -3.364 0.999 10.325
294 HG1 THR 36 HG1 THR 36 -4.981 2.215 11.299
295 HG21 THR 36 3HG2 THR 36 -4.588 -1.202 11.943
296 HG22 THR 36 1HG2 THR 36 -3.175 -1.394 10.891
297 HG23 THR 36 2HG2 THR 36 -4.752 -0.988 10.188
298 H VAL 37 H VAL 37 -2.874 3.385 11.919
299 HA VAL 37 HA VAL 37 -0.501 3.661 10.548
300 HB VAL 37 HB VAL 37 -1.913 5.561 12.359
301 HG11 VAL 37 1HG1 VAL 37 -0.900 7.328 10.917
302 HG12 VAL 37 2HG1 VAL 37 0.083 6.067 10.150
303 HG13 VAL 37 3HG1 VAL 37 0.252 6.412 11.875
304 HG21 VAL 37 3HG2 VAL 37 -2.240 5.073 9.413
305 HG22 VAL 37 1HG2 VAL 37 -2.999 6.390 10.301
306 HG23 VAL 37 2HG2 VAL 37 -3.416 4.722 10.685
307 H ASN 38 H ASN 38 -1.118 4.132 14.030
308 HA ASN 38 HA ASN 38 1.471 4.931 14.657
309 HB2 ASN 38 2HB ASN 38 -0.733 3.803 16.332
310 HB3 ASN 38 1HB ASN 38 0.871 4.013 17.025
311 HD21 ASN 38 2HD2 ASN 38 -1.507 7.194 16.373
312 HD22 ASN 38 1HD2 ASN 38 -1.946 5.604 15.807
313 H ARG 39 H ARG 39 0.074 1.713 14.615
314 HA ARG 39 HA ARG 39 2.335 0.493 15.853
315 HB2 ARG 39 2HB ARG 39 1.438 -1.654 15.274
316 HB3 ARG 39 1HB ARG 39 0.067 -0.610 15.640
317 HG2 ARG 39 2HG ARG 39 -0.291 -0.322 13.212
318 HG3 ARG 39 1HG ARG 39 1.025 -1.453 12.913
319 HD2 ARG 39 2HD ARG 39 -1.061 -2.621 12.721
320 HD3 ARG 39 1HD ARG 39 -0.242 -3.169 14.180
321 HE ARG 39 HE ARG 39 -1.879 -1.119 14.972
322 HH11 ARG 39 1HH1 ARG 39 -2.359 -4.217 13.355
323 HH12 ARG 39 2HH1 ARG 39 -3.900 -4.531 14.005
324 HH21 ARG 39 2HH2 ARG 39 -4.884 -2.915 15.515
325 HH22 ARG 39 1HH2 ARG 39 -4.042 -1.507 15.919
326 H HIS 40 H HIS 40 1.527 1.213 12.575
327 HA HIS 40 HA HIS 40 3.674 -0.286 11.438
328 HB2 HIS 40 2HB HIS 40 1.873 1.833 10.315
329 HB3 HIS 40 1HB HIS 40 3.124 1.095 9.347
330 HD1 HIS 40 HD1 HIS 40 2.673 -1.924 9.379
331 HD2 HIS 40 HD2 HIS 40 -0.509 0.722 9.983
332 HE1 HIS 40 HE1 HIS 40 0.624 -3.199 8.964
333 H LEU 41 H LEU 41 3.257 3.081 12.384
334 HA LEU 41 HA LEU 41 5.727 3.827 11.156
335 HB2 LEU 41 2HB LEU 41 5.414 6.016 12.186
336 HB3 LEU 41 1HB LEU 41 4.058 5.532 11.186
337 HG LEU 41 HG LEU 41 3.044 4.812 13.494
338 HD11 LEU 41 1HD1 LEU 41 4.990 5.244 14.864
339 HD12 LEU 41 2HD1 LEU 41 3.641 6.274 15.339
340 HD13 LEU 41 3HD1 LEU 41 4.968 6.945 14.388
341 HD21 LEU 41 3HD2 LEU 41 1.942 6.901 13.660
342 HD22 LEU 41 1HD2 LEU 41 2.183 6.437 11.983
343 HD23 LEU 41 2HD2 LEU 41 3.210 7.700 12.701
344 H TYR 42 H TYR 42 4.722 2.808 14.344
345 HA TYR 42 HA TYR 42 6.952 3.667 15.658
346 HB2 TYR 42 2HB TYR 42 4.689 1.986 15.985
347 HB3 TYR 42 1HB TYR 42 6.029 1.433 16.912
348 HD1 TYR 42 HD1 TYR 42 7.125 3.317 18.362
349 HD2 TYR 42 HD2 TYR 42 3.292 3.606 16.693
350 HE1 TYR 42 HE1 TYR 42 6.579 5.073 20.029
351 HE2 TYR 42 HE2 TYR 42 2.676 5.383 18.339
352 HH TYR 42 HH TYR 42 3.381 6.189 20.503
353 H ASN 43 H ASN 43 6.169 0.828 13.922
354 HA ASN 43 HA ASN 43 8.563 -0.558 14.676
355 HB2 ASN 43 2HB ASN 43 6.534 -1.108 12.536
356 HB3 ASN 43 1HB ASN 43 8.059 -1.988 12.538
357 HD21 ASN 43 2HD2 ASN 43 5.218 -2.857 15.254
358 HD22 ASN 43 1HD2 ASN 43 5.034 -1.482 14.212
359 H LEU 44 H LEU 44 7.695 1.405 11.918
360 HA LEU 44 HA LEU 44 10.226 1.042 10.674
361 HB2 LEU 44 2HB LEU 44 8.336 3.340 10.236
362 HB3 LEU 44 1HB LEU 44 9.646 2.870 9.239
363 HG LEU 44 HG LEU 44 7.144 1.264 9.632
364 HD11 LEU 44 1HD1 LEU 44 6.764 3.232 8.292
365 HD12 LEU 44 2HD1 LEU 44 6.841 1.842 7.194
366 HD13 LEU 44 3HD1 LEU 44 8.215 2.920 7.353
367 HD21 LEU 44 3HD2 LEU 44 9.555 0.750 7.876
368 HD22 LEU 44 1HD2 LEU 44 8.056 -0.176 7.850
369 HD23 LEU 44 2HD2 LEU 44 9.077 -0.198 9.284
370 H GLN 45 H GLN 45 9.083 3.204 13.217
371 HA GLN 45 HA GLN 45 10.960 5.257 12.813
372 HB2 GLN 45 2HB GLN 45 8.929 5.566 14.044
373 HB3 GLN 45 1HB GLN 45 9.437 4.381 15.236
374 HG2 GLN 45 2HG GLN 45 11.080 5.780 16.102
375 HG3 GLN 45 1HG GLN 45 11.043 6.826 14.673
376 HE21 GLN 45 2HE2 GLN 45 8.420 8.716 15.704
377 HE22 GLN 45 1HE2 GLN 45 9.522 8.307 14.456
378 H ARG 46 H ARG 46 10.841 2.288 14.581
379 HA ARG 46 HA ARG 46 13.335 2.773 16.002
380 HB2 ARG 46 2HB ARG 46 11.823 0.183 15.794
381 HB3 ARG 46 1HB ARG 46 12.962 0.658 17.055
382 HG2 ARG 46 2HG ARG 46 10.236 1.855 16.557
383 HG3 ARG 46 1HG ARG 46 10.680 0.785 17.886
384 HD2 ARG 46 2HD ARG 46 11.795 2.428 19.008
385 HD3 ARG 46 1HD ARG 46 12.248 3.291 17.543
386 HE ARG 46 HE ARG 46 9.830 3.877 17.402
387 HH11 ARG 46 1HH1 ARG 46 11.303 3.230 20.568
388 HH12 ARG 46 2HH1 ARG 46 10.490 4.469 21.403
389 HH21 ARG 46 2HH2 ARG 46 8.968 5.912 20.217
390 HH22 ARG 46 1HH2 ARG 46 8.751 5.704 18.555
391 H SER 47 H SER 47 12.363 1.574 13.033
392 HA SER 47 HA SER 47 14.808 0.073 12.635
393 HB2 SER 47 2HB SER 47 12.691 -0.946 11.891
394 HB3 SER 47 1HB SER 47 12.383 0.442 10.854
395 HG SER 47 HG SER 47 14.635 -0.229 10.032
396 H ASN 48 H ASN 48 13.855 3.298 12.477
397 HA ASN 48 HA ASN 48 14.670 5.155 11.530
398 HB2 ASN 48 2HB ASN 48 16.819 3.969 12.167
399 HB3 ASN 48 1HB ASN 48 16.947 3.415 10.508
400 HD21 ASN 48 2HD2 ASN 48 17.954 7.208 11.502
401 HD22 ASN 48 1HD2 ASN 48 17.166 6.157 12.638
402 H GLN 49 H GLN 49 12.826 3.488 10.167
403 HA GLN 49 HA GLN 49 13.553 3.785 7.321
404 HB2 GLN 49 2HB GLN 49 12.807 1.508 8.448
405 HB3 GLN 49 1HB GLN 49 11.208 2.194 8.390
406 HG2 GLN 49 2HG GLN 49 12.975 1.357 6.103
407 HG3 GLN 49 1HG GLN 49 11.373 0.771 6.519
408 HE21 GLN 49 2HE2 GLN 49 9.772 3.466 4.912
409 HE22 GLN 49 1HE2 GLN 49 9.576 2.227 6.124
410 H VAL 50 H VAL 50 11.468 4.684 9.934
411 HA VAL 50 HA VAL 50 10.503 6.789 8.261
412 HB VAL 50 HB VAL 50 8.737 4.781 8.646
413 HG11 VAL 50 1HG1 VAL 50 8.963 4.964 11.068
414 HG12 VAL 50 2HG1 VAL 50 7.267 5.127 10.526
415 HG13 VAL 50 3HG1 VAL 50 8.198 6.548 11.022
416 HG21 VAL 50 3HG2 VAL 50 6.914 6.400 8.361
417 HG22 VAL 50 1HG2 VAL 50 8.296 6.731 7.316
418 HG23 VAL 50 2HG2 VAL 50 8.038 7.702 8.766
419 H PHE 51 H PHE 51 10.384 8.512 9.462
420 HA PHE 51 HA PHE 51 9.918 8.630 12.199
421 HB2 PHE 51 2HB PHE 51 12.137 9.713 12.964
422 HB3 PHE 51 1HB PHE 51 12.133 7.974 12.721
423 HD1 PHE 51 HD1 PHE 51 13.333 11.173 11.386
424 HD2 PHE 51 HD2 PHE 51 13.436 6.951 11.092
425 HE1 PHE 51 HE1 PHE 51 15.338 11.324 9.940
426 HE2 PHE 51 HE2 PHE 51 15.395 7.050 9.685
427 HZ PHE 51 HZ PHE 51 16.380 9.259 9.080
428 H ASN 52 H ASN 52 10.400 10.983 13.086
429 HA ASN 52 HA ASN 52 9.378 12.691 11.018
430 HB2 ASN 52 2HB ASN 52 9.207 14.383 12.914
431 HB3 ASN 52 1HB ASN 52 8.069 13.057 12.840
432 HD21 ASN 52 2HD2 ASN 52 9.604 13.698 16.280
433 HD22 ASN 52 1HD2 ASN 52 8.995 14.781 15.065
434 H SER 53 H SER 53 10.414 14.259 10.106
435 HA SER 53 HA SER 53 13.059 14.832 11.096
436 HB2 SER 53 2HB SER 53 13.283 12.668 10.015
437 HB3 SER 53 1HB SER 53 12.573 13.335 8.549
438 HG SER 53 HG SER 53 14.364 14.200 8.045
439 H ASN 54 H ASN 54 14.000 16.321 10.210
440 HA ASN 54 HA ASN 54 14.849 18.118 9.161
441 HB2 ASN 54 2HB ASN 54 15.452 17.658 6.906
442 HB3 ASN 54 1HB ASN 54 15.314 16.201 7.918
443 HD21 ASN 54 2HD2 ASN 54 12.716 16.574 4.821
444 HD22 ASN 54 1HD2 ASN 54 13.617 17.953 5.340
445 H GLU 55 H GLU 55 11.478 17.927 8.303
446 HA GLU 55 HA GLU 55 12.014 20.451 7.012
447 HB2 GLU 55 2HB GLU 55 9.869 20.036 5.658
448 HB3 GLU 55 1HB GLU 55 11.340 19.179 5.248
449 HG2 GLU 55 2HG GLU 55 10.390 17.300 6.722
450 HG3 GLU 55 1HG GLU 55 8.848 18.134 6.523
451 H LYS 56 H LYS 56 9.647 21.665 6.680
452 HA LYS 56 HA LYS 56 9.426 22.619 9.307
453 HB2 LYS 56 2HB LYS 56 8.325 23.547 6.702
454 HB3 LYS 56 1HB LYS 56 7.622 24.172 8.189
455 HG2 LYS 56 2HG LYS 56 9.405 25.594 7.197
456 HG3 LYS 56 1HG LYS 56 9.706 25.111 8.873
457 HD2 LYS 56 2HD LYS 56 10.901 23.254 6.992
458 HD3 LYS 56 1HD LYS 56 11.449 24.896 6.673
459 HE2 LYS 56 2HE LYS 56 12.973 23.754 8.226
460 HE3 LYS 56 1HE LYS 56 12.185 25.113 9.012
461 HZ1 LYS 56 3HZ LYS 56 12.325 23.115 10.424
462 HZ2 LYS 56 1HZ LYS 56 11.360 22.245 9.362
463 HZ3 LYS 56 2HZ LYS 56 10.726 23.566 10.186
464 HA PRO 57 HA PRO 57 5.408 20.402 9.663
465 HB2 PRO 57 2HB PRO 57 5.014 18.662 7.360
466 HB3 PRO 57 1HB PRO 57 3.913 19.925 7.938
467 HG2 PRO 57 2HG PRO 57 5.211 20.080 5.567
468 HG3 PRO 57 1HG PRO 57 4.706 21.494 6.515
469 HD2 PRO 57 2HD PRO 57 7.404 20.242 6.309
470 HD3 PRO 57 1HD PRO 57 6.952 21.961 6.361
471 HA PRO 58 HA PRO 58 8.651 17.353 10.699
472 HB2 PRO 58 2HB PRO 58 6.433 16.273 12.383
473 HB3 PRO 58 1HB PRO 58 8.092 16.693 12.863
474 HG2 PRO 58 2HG PRO 58 6.078 18.249 13.567
475 HG3 PRO 58 1HG PRO 58 7.642 18.931 13.075
476 HD2 PRO 58 2HD PRO 58 5.084 18.830 11.553
477 HD3 PRO 58 1HD PRO 58 6.345 20.079 11.582
478 H VAL 59 H VAL 59 8.934 15.887 9.055
479 HA VAL 59 HA VAL 59 6.596 14.786 7.838
480 HB VAL 59 HB VAL 59 8.733 15.408 6.564
481 HG11 VAL 59 1HG1 VAL 59 9.658 12.673 7.452
482 HG12 VAL 59 2HG1 VAL 59 10.416 14.193 7.945
483 HG13 VAL 59 3HG1 VAL 59 10.428 13.683 6.251
484 HG21 VAL 59 3HG2 VAL 59 8.492 13.384 5.080
485 HG22 VAL 59 1HG2 VAL 59 7.029 14.349 5.388
486 HG23 VAL 59 2HG2 VAL 59 7.299 12.842 6.253
487 H TRP 60 H TRP 60 5.709 12.815 8.113
488 HA TRP 60 HA TRP 60 7.453 10.932 9.421
489 HB2 TRP 60 2HB TRP 60 4.411 10.929 9.335
490 HB3 TRP 60 1HB TRP 60 5.400 9.612 9.970
491 HD1 TRP 60 HD1 TRP 60 4.856 13.347 10.643
492 HE1 TRP 60 HE1 TRP 60 5.080 13.773 13.185
493 HE3 TRP 60 HE3 TRP 60 6.123 8.650 12.096
494 HZ2 TRP 60 HZ2 TRP 60 5.734 12.278 15.496
495 HZ3 TRP 60 HZ3 TRP 60 6.550 8.221 14.481
496 HH2 TRP 60 HH2 TRP 60 6.357 9.992 16.141
497 H ASP 61 H ASP 61 8.482 10.249 7.954
498 HA ASP 61 HA ASP 61 7.815 8.393 6.070
499 HB2 ASP 61 2HB ASP 61 6.638 10.281 4.850
500 HB3 ASP 61 1HB ASP 61 8.130 11.200 4.882
501 H LEU 62 H LEU 62 9.738 8.493 4.469
502 HA LEU 62 HA LEU 62 12.154 9.654 5.556
503 HB2 LEU 62 2HB LEU 62 11.847 7.232 6.243
504 HB3 LEU 62 1HB LEU 62 11.939 6.868 4.520
505 HG LEU 62 HG LEU 62 14.042 6.384 5.877
506 HD11 LEU 62 1HD1 LEU 62 14.144 6.497 3.475
507 HD12 LEU 62 2HD1 LEU 62 15.591 7.209 4.195
508 HD13 LEU 62 3HD1 LEU 62 14.323 8.250 3.543
509 HD21 LEU 62 3HD2 LEU 62 14.002 8.368 7.281
510 HD22 LEU 62 1HD2 LEU 62 14.264 9.389 5.870
511 HD23 LEU 62 2HD2 LEU 62 15.515 8.258 6.381
512 H MET 63 H MET 63 13.430 10.287 3.802
513 HA MET 63 HA MET 63 11.833 10.300 1.411
514 HB2 MET 63 2HB MET 63 14.001 12.208 2.122
515 HB3 MET 63 1HB MET 63 13.258 11.961 0.529
516 HG2 MET 63 2HG MET 63 11.044 12.511 1.473
517 HG3 MET 63 1HG MET 63 11.804 12.856 3.024
518 HE1 MET 63 3HE MET 63 13.327 13.771 -0.520
519 HE2 MET 63 1HE MET 63 12.603 15.353 -0.793
520 HE3 MET 63 2HE MET 63 11.586 13.911 -0.769
521 H GLU 64 H GLU 64 12.611 10.098 -0.518
522 HA GLU 64 HA GLU 64 14.923 8.537 -0.955
523 HB2 GLU 64 2HB GLU 64 13.405 7.360 0.485
524 HB3 GLU 64 1HB GLU 64 12.124 7.582 -0.650
525 HG2 GLU 64 2HG GLU 64 13.553 6.242 -2.345
526 HG3 GLU 64 1HG GLU 64 14.523 5.753 -0.950
Start of MODEL 9
1 HA MET 1 HA MET 1 14.618 -5.336 -3.479
2 HB2 MET 1 2HB MET 1 14.714 -7.172 -5.147
3 HB3 MET 1 1HB MET 1 13.357 -7.963 -4.364
4 HG2 MET 1 2HG MET 1 11.932 -6.027 -4.933
5 HG3 MET 1 1HG MET 1 13.296 -5.296 -5.775
6 HE1 MET 1 2HE MET 1 14.658 -7.815 -7.230
7 HE2 MET 1 3HE MET 1 14.351 -6.269 -8.024
8 HE3 MET 1 1HE MET 1 13.821 -7.773 -8.779
9 H SER 2 H SER 2 12.156 -7.889 -2.851
10 HA SER 2 HA SER 2 10.411 -6.091 -1.623
11 HB2 SER 2 2HB SER 2 10.473 -9.094 -1.441
12 HB3 SER 2 1HB SER 2 9.065 -8.025 -1.501
13 HG SER 2 HG SER 2 9.117 -8.350 -3.567
14 H ALA 3 H ALA 3 9.817 -6.206 0.633
15 HA ALA 3 HA ALA 3 11.668 -7.528 2.505
16 HB1 ALA 3 1HB ALA 3 10.847 -4.617 2.673
17 HB2 ALA 3 2HB ALA 3 12.456 -5.179 2.221
18 HB3 ALA 3 3HB ALA 3 11.830 -5.505 3.837
19 H GLU 4 H GLU 4 10.799 -7.050 4.748
20 HA GLU 4 HA GLU 4 8.210 -8.260 4.601
21 HB2 GLU 4 2HB GLU 4 8.902 -8.804 7.116
22 HB3 GLU 4 1HB GLU 4 9.490 -9.679 5.697
23 HG2 GLU 4 2HG GLU 4 11.245 -9.205 7.428
24 HG3 GLU 4 1HG GLU 4 11.618 -8.704 5.789
25 H THR 5 H THR 5 9.842 -5.617 6.287
26 HA THR 5 HA THR 5 7.372 -4.673 7.408
27 HB THR 5 HB THR 5 9.594 -4.377 8.571
28 HG1 THR 5 HG1 THR 5 7.662 -2.911 8.707
29 HG21 THR 5 3HG2 THR 5 10.108 -2.331 6.398
30 HG22 THR 5 1HG2 THR 5 10.984 -3.847 6.614
31 HG23 THR 5 2HG2 THR 5 11.110 -2.574 7.829
32 H GLN 6 H GLN 6 8.099 -4.894 4.451
33 HA GLN 6 HA GLN 6 7.884 -2.287 3.323
34 HB2 GLN 6 2HB GLN 6 8.827 -4.333 2.163
35 HB3 GLN 6 1HB GLN 6 7.177 -4.902 1.987
36 HG2 GLN 6 2HG GLN 6 6.650 -2.866 0.688
37 HG3 GLN 6 1HG GLN 6 8.341 -2.389 0.805
38 HE21 GLN 6 2HE2 GLN 6 7.584 -4.213 -2.376
39 HE22 GLN 6 1HE2 GLN 6 6.782 -2.921 -1.550
40 H MET 7 H MET 7 5.695 -4.293 4.879
41 HA MET 7 HA MET 7 3.307 -3.584 3.474
42 HB2 MET 7 2HB MET 7 3.622 -4.462 6.362
43 HB3 MET 7 1HB MET 7 2.116 -4.427 5.461
44 HG2 MET 7 2HG MET 7 4.490 -6.181 4.865
45 HG3 MET 7 1HG MET 7 3.002 -6.687 5.660
46 HE1 MET 7 3HE MET 7 2.862 -8.694 3.904
47 HE2 MET 7 1HE MET 7 4.330 -8.115 3.114
48 HE3 MET 7 2HE MET 7 2.895 -8.471 2.154
49 H GLU 8 H GLU 8 4.879 -2.505 6.411
50 HA GLU 8 HA GLU 8 3.275 -0.298 6.999
51 HB2 GLU 8 2HB GLU 8 6.212 -0.771 7.524
52 HB3 GLU 8 1HB GLU 8 5.271 0.513 8.257
53 HG2 GLU 8 2HG GLU 8 5.632 -1.248 9.827
54 HG3 GLU 8 1HG GLU 8 3.930 -1.210 9.415
55 H ARG 9 H ARG 9 6.080 -0.742 5.025
56 HA ARG 9 HA ARG 9 6.505 2.028 4.412
57 HB2 ARG 9 2HB ARG 9 8.005 -0.215 4.129
58 HB3 ARG 9 1HB ARG 9 7.378 -0.086 2.502
59 HG2 ARG 9 2HG ARG 9 8.954 2.067 3.911
60 HG3 ARG 9 1HG ARG 9 9.652 0.859 2.857
61 HD2 ARG 9 2HD ARG 9 8.312 1.798 0.975
62 HD3 ARG 9 1HD ARG 9 7.709 3.050 2.074
63 HE ARG 9 HE ARG 9 10.490 3.040 2.266
64 HH11 ARG 9 1HH1 ARG 9 8.170 3.890 -0.408
65 HH12 ARG 9 2HH1 ARG 9 9.255 5.043 -0.992
66 HH21 ARG 9 2HH2 ARG 9 11.299 5.469 -0.072
67 HH22 ARG 9 1HH2 ARG 9 11.909 4.541 1.210
68 H LYS 10 H LYS 10 4.658 -0.535 2.807
69 HA LYS 10 HA LYS 10 4.239 1.050 0.481
70 HB2 LYS 10 2HB LYS 10 2.736 -0.647 -0.306
71 HB3 LYS 10 1HB LYS 10 4.073 -1.455 0.495
72 HG2 LYS 10 2HG LYS 10 2.643 -1.680 2.512
73 HG3 LYS 10 1HG LYS 10 1.308 -1.012 1.583
74 HD2 LYS 10 2HD LYS 10 1.527 -2.877 -0.018
75 HD3 LYS 10 1HD LYS 10 2.812 -3.558 0.986
76 HE2 LYS 10 2HE LYS 10 1.207 -3.622 2.889
77 HE3 LYS 10 1HE LYS 10 -0.060 -3.104 1.781
78 HZ1 LYS 10 3HZ LYS 10 1.508 -5.609 1.654
79 HZ2 LYS 10 1HZ LYS 10 0.388 -5.133 0.461
80 HZ3 LYS 10 2HZ LYS 10 -0.118 -5.460 2.048
81 H ILE 11 H ILE 11 2.488 0.827 3.576
82 HA ILE 11 HA ILE 11 0.233 2.134 2.442
83 HB ILE 11 HB ILE 11 -0.513 2.427 4.742
84 HG12 ILE 11 2HG1 ILE 11 2.162 1.209 5.410
85 HG13 ILE 11 1HG1 ILE 11 1.504 2.741 5.959
86 HG21 ILE 11 1HG2 ILE 11 -0.761 -0.011 5.212
87 HG22 ILE 11 2HG2 ILE 11 0.550 -0.280 4.052
88 HG23 ILE 11 3HG2 ILE 11 -0.995 0.374 3.489
89 HD11 ILE 11 3HD1 ILE 11 -0.187 1.476 7.248
90 HD12 ILE 11 1HD1 ILE 11 1.500 1.131 7.720
91 HD13 ILE 11 2HD1 ILE 11 0.637 0.011 6.665
92 H ILE 12 H ILE 12 3.110 3.135 4.224
93 HA ILE 12 HA ILE 12 2.147 5.818 4.247
94 HB ILE 12 HB ILE 12 4.069 6.482 5.317
95 HG12 ILE 12 2HG1 ILE 12 6.134 4.636 5.140
96 HG13 ILE 12 1HG1 ILE 12 5.442 4.643 3.532
97 HG21 ILE 12 1HG2 ILE 12 2.984 4.937 6.744
98 HG22 ILE 12 2HG2 ILE 12 4.729 4.846 6.986
99 HG23 ILE 12 3HG2 ILE 12 3.901 3.597 6.057
100 HD11 ILE 12 3HD1 ILE 12 6.375 7.145 4.927
101 HD12 ILE 12 1HD1 ILE 12 5.620 7.072 3.348
102 HD13 ILE 12 2HD1 ILE 12 7.191 6.328 3.594
103 H ASP 13 H ASP 13 3.889 3.783 2.079
104 HA ASP 13 HA ASP 13 5.253 5.591 0.454
105 HB2 ASP 13 2HB ASP 13 5.132 2.980 0.457
106 HB3 ASP 13 1HB ASP 13 3.816 3.216 -0.688
107 H PHE 14 H PHE 14 2.035 4.194 0.115
108 HA PHE 14 HA PHE 14 1.058 5.635 -2.006
109 HB2 PHE 14 2HB PHE 14 -0.168 3.785 -1.127
110 HB3 PHE 14 1HB PHE 14 -0.252 4.512 0.469
111 HD1 PHE 14 HD1 PHE 14 -1.842 6.120 0.987
112 HD2 PHE 14 HD2 PHE 14 -1.587 4.578 -2.930
113 HE1 PHE 14 HE1 PHE 14 -4.032 7.106 0.499
114 HE2 PHE 14 HE2 PHE 14 -3.795 5.555 -3.481
115 HZ PHE 14 HZ PHE 14 -5.027 6.828 -1.761
116 H LEU 15 H LEU 15 0.813 6.452 1.504
117 HA LEU 15 HA LEU 15 -0.367 8.902 1.094
118 HB2 LEU 15 2HB LEU 15 -0.752 8.241 3.023
119 HB3 LEU 15 1HB LEU 15 0.663 7.232 3.225
120 HG LEU 15 HG LEU 15 0.352 8.755 4.955
121 HD11 LEU 15 1HD1 LEU 15 2.539 9.957 5.064
122 HD12 LEU 15 2HD1 LEU 15 2.775 9.541 3.361
123 HD13 LEU 15 3HD1 LEU 15 2.644 8.267 4.571
124 HD21 LEU 15 3HD2 LEU 15 -0.876 10.554 4.048
125 HD22 LEU 15 1HD2 LEU 15 0.446 10.959 2.942
126 HD23 LEU 15 2HD2 LEU 15 0.625 11.245 4.675
127 H ARG 16 H ARG 16 2.928 7.949 1.189
128 HA ARG 16 HA ARG 16 4.148 10.406 1.345
129 HB2 ARG 16 2HB ARG 16 5.502 8.549 1.728
130 HB3 ARG 16 1HB ARG 16 4.949 7.724 0.283
131 HG2 ARG 16 2HG ARG 16 6.297 8.942 -1.082
132 HG3 ARG 16 1HG ARG 16 6.524 10.217 0.110
133 HD2 ARG 16 2HD ARG 16 7.807 8.547 1.512
134 HD3 ARG 16 1HD ARG 16 7.620 7.368 0.239
135 HE ARG 16 HE ARG 16 9.308 8.369 -0.947
136 HH11 ARG 16 1HH1 ARG 16 8.458 10.470 1.751
137 HH12 ARG 16 2HH1 ARG 16 9.637 11.646 1.456
138 HH21 ARG 16 2HH2 ARG 16 11.081 11.394 -0.498
139 HH22 ARG 16 1HH2 ARG 16 10.942 9.950 -1.412
140 H GLN 17 H GLN 17 3.013 8.583 -1.349
141 HA GLN 17 HA GLN 17 3.798 10.290 -3.459
142 HB2 GLN 17 2HB GLN 17 1.321 8.562 -3.389
143 HB3 GLN 17 1HB GLN 17 2.106 9.195 -4.821
144 HG2 GLN 17 2HG GLN 17 4.040 7.777 -4.390
145 HG3 GLN 17 1HG GLN 17 3.264 7.166 -2.926
146 HE21 GLN 17 2HE2 GLN 17 2.193 5.766 -6.539
147 HE22 GLN 17 1HE2 GLN 17 3.273 7.119 -6.378
148 H ASN 18 H ASN 18 0.930 10.286 -1.363
149 HA ASN 18 HA ASN 18 -0.282 12.426 -2.920
150 HB2 ASN 18 2HB ASN 18 -1.145 11.092 -0.340
151 HB3 ASN 18 1HB ASN 18 -2.056 12.377 -1.129
152 HD21 ASN 18 2HD2 ASN 18 -2.071 8.615 -2.608
153 HD22 ASN 18 1HD2 ASN 18 -0.966 9.061 -1.380
154 H GLY 19 H GLY 19 1.539 11.989 -0.115
155 HA2 GLY 19 2HA GLY 19 2.886 14.202 0.167
156 HA3 GLY 19 1HA GLY 19 1.299 14.804 0.618
157 H LYS 20 H LYS 20 3.901 12.523 1.535
158 HA LYS 20 HA LYS 20 3.363 11.560 3.880
159 HB2 LYS 20 2HB LYS 20 5.731 12.403 4.514
160 HB3 LYS 20 1HB LYS 20 5.494 11.237 3.225
161 HG2 LYS 20 2HG LYS 20 7.133 12.841 2.542
162 HG3 LYS 20 1HG LYS 20 5.677 13.080 1.576
163 HD2 LYS 20 2HD LYS 20 5.087 14.998 2.992
164 HD3 LYS 20 1HD LYS 20 6.542 14.770 3.945
165 HE2 LYS 20 2HE LYS 20 7.855 15.089 1.846
166 HE3 LYS 20 1HE LYS 20 6.343 15.521 1.045
167 HZ1 LYS 20 3HZ LYS 20 7.432 17.548 1.807
168 HZ2 LYS 20 1HZ LYS 20 7.639 16.885 3.320
169 HZ3 LYS 20 2HZ LYS 20 6.127 17.283 2.876
170 H SER 21 H SER 21 3.611 12.158 6.172
171 HA SER 21 HA SER 21 3.362 14.791 7.049
172 HB2 SER 21 2HB SER 21 1.375 14.839 5.517
173 HB3 SER 21 1HB SER 21 0.672 13.503 6.418
174 HG SER 21 HG SER 21 0.731 16.164 6.945
175 H ILE 22 H ILE 22 1.340 14.413 8.935
176 HA ILE 22 HA ILE 22 2.727 12.726 10.795
177 HB ILE 22 HB ILE 22 1.011 13.443 12.434
178 HG12 ILE 22 2HG1 ILE 22 -0.136 15.041 10.119
179 HG13 ILE 22 1HG1 ILE 22 -0.897 13.640 10.858
180 HG21 ILE 22 1HG2 ILE 22 3.019 14.776 12.144
181 HG22 ILE 22 2HG2 ILE 22 1.642 15.826 12.480
182 HG23 ILE 22 3HG2 ILE 22 2.257 15.679 10.834
183 HD11 ILE 22 3HD1 ILE 22 -1.110 14.878 12.959
184 HD12 ILE 22 1HD1 ILE 22 -1.909 15.710 11.625
185 HD13 ILE 22 2HD1 ILE 22 -0.343 16.276 12.208
186 H ALA 23 H ALA 23 1.461 11.241 12.193
187 HA ALA 23 HA ALA 23 0.592 9.002 10.799
188 HB1 ALA 23 1HB ALA 23 0.022 9.737 13.647
189 HB2 ALA 23 2HB ALA 23 1.507 8.983 13.060
190 HB3 ALA 23 3HB ALA 23 -0.026 8.109 12.966
191 H LEU 24 H LEU 24 -1.208 11.742 11.833
192 HA LEU 24 HA LEU 24 -3.763 10.450 11.950
193 HB2 LEU 24 2HB LEU 24 -3.141 12.488 13.280
194 HB3 LEU 24 1HB LEU 24 -3.063 13.401 11.799
195 HG LEU 24 HG LEU 24 -5.093 13.809 13.220
196 HD11 LEU 24 1HD1 LEU 24 -5.671 12.799 10.449
197 HD12 LEU 24 2HD1 LEU 24 -5.161 14.429 10.889
198 HD13 LEU 24 3HD1 LEU 24 -6.731 13.824 11.417
199 HD21 LEU 24 3HD2 LEU 24 -5.861 11.025 12.356
200 HD22 LEU 24 1HD2 LEU 24 -6.909 12.172 13.187
201 HD23 LEU 24 2HD2 LEU 24 -5.476 11.540 13.998
202 H THR 25 H THR 25 -1.819 12.146 9.575
203 HA THR 25 HA THR 25 -3.891 12.458 7.695
204 HB THR 25 HB THR 25 -0.924 12.371 7.269
205 HG1 THR 25 HG1 THR 25 -0.895 14.395 7.973
206 HG21 THR 25 3HG2 THR 25 -1.420 13.613 5.223
207 HG22 THR 25 1HG2 THR 25 -3.141 13.678 5.666
208 HG23 THR 25 2HG2 THR 25 -2.406 12.139 5.291
209 H ILE 26 H ILE 26 -1.192 10.206 8.043
210 HA ILE 26 HA ILE 26 -1.483 8.637 5.825
211 HB ILE 26 HB ILE 26 -0.951 7.370 8.544
212 HG12 ILE 26 2HG1 ILE 26 1.014 8.884 6.738
213 HG13 ILE 26 1HG1 ILE 26 0.464 9.409 8.314
214 HG21 ILE 26 1HG2 ILE 26 -1.270 5.858 6.739
215 HG22 ILE 26 2HG2 ILE 26 0.440 5.853 7.199
216 HG23 ILE 26 3HG2 ILE 26 -0.095 6.709 5.740
217 HD11 ILE 26 3HD1 ILE 26 2.118 6.962 7.754
218 HD12 ILE 26 1HD1 ILE 26 1.595 7.516 9.345
219 HD13 ILE 26 2HD1 ILE 26 2.708 8.497 8.390
220 H ALA 27 H ALA 27 -3.177 8.320 8.870
221 HA ALA 27 HA ALA 27 -4.704 6.071 8.370
222 HB1 ALA 27 1HB ALA 27 -6.093 6.825 10.187
223 HB2 ALA 27 2HB ALA 27 -5.446 8.463 10.021
224 HB3 ALA 27 3HB ALA 27 -4.388 7.146 10.530
225 H LYS 28 H LYS 28 -5.383 9.468 7.588
226 HA LYS 28 HA LYS 28 -8.083 8.998 6.774
227 HB2 LYS 28 2HB LYS 28 -6.257 11.253 5.986
228 HB3 LYS 28 1HB LYS 28 -7.994 11.224 5.762
229 HG2 LYS 28 2HG LYS 28 -8.212 11.156 8.244
230 HG3 LYS 28 1HG LYS 28 -6.467 11.384 8.343
231 HD2 LYS 28 2HD LYS 28 -8.395 13.294 6.987
232 HD3 LYS 28 1HD LYS 28 -7.763 13.503 8.610
233 HE2 LYS 28 2HE LYS 28 -6.496 14.946 7.214
234 HE3 LYS 28 1HE LYS 28 -5.442 13.593 7.558
235 HZ1 LYS 28 3HZ LYS 28 -6.968 13.953 4.996
236 HZ2 LYS 28 1HZ LYS 28 -5.855 12.745 5.268
237 HZ3 LYS 28 2HZ LYS 28 -5.334 14.278 5.193
238 H GLU 29 H GLU 29 -4.974 9.231 5.130
239 HA GLU 29 HA GLU 29 -6.049 9.340 2.514
240 HB2 GLU 29 2HB GLU 29 -3.284 8.320 3.115
241 HB3 GLU 29 1HB GLU 29 -3.838 9.203 1.707
242 HG2 GLU 29 2HG GLU 29 -3.222 10.249 4.456
243 HG3 GLU 29 1HG GLU 29 -2.498 10.673 2.917
244 H ILE 30 H ILE 30 -4.959 6.752 4.571
245 HA ILE 30 HA ILE 30 -5.442 4.840 2.428
246 HB ILE 30 HB ILE 30 -4.699 3.082 4.003
247 HG12 ILE 30 2HG1 ILE 30 -4.178 5.397 5.886
248 HG13 ILE 30 1HG1 ILE 30 -5.350 4.116 6.135
249 HG21 ILE 30 1HG2 ILE 30 -2.315 3.745 4.045
250 HG22 ILE 30 2HG2 ILE 30 -2.793 5.400 3.666
251 HG23 ILE 30 3HG2 ILE 30 -3.094 4.108 2.503
252 HD11 ILE 30 3HD1 ILE 30 -2.349 3.835 6.095
253 HD12 ILE 30 1HD1 ILE 30 -3.486 2.497 6.266
254 HD13 ILE 30 2HD1 ILE 30 -3.406 3.745 7.505
255 H GLY 31 H GLY 31 -7.217 6.350 4.737
256 HA2 GLY 31 2HA GLY 31 -9.393 6.143 5.386
257 HA3 GLY 31 1HA GLY 31 -9.552 4.840 4.218
258 H LEU 32 H LEU 32 -7.218 4.784 6.792
259 HA LEU 32 HA LEU 32 -8.773 2.573 7.971
260 HB2 LEU 32 2HB LEU 32 -5.756 2.730 7.995
261 HB3 LEU 32 1HB LEU 32 -6.746 1.408 8.552
262 HG LEU 32 HG LEU 32 -6.116 2.217 5.732
263 HD11 LEU 32 1HD1 LEU 32 -5.323 -0.056 5.519
264 HD12 LEU 32 2HD1 LEU 32 -5.777 -0.376 7.191
265 HD13 LEU 32 3HD1 LEU 32 -4.507 0.791 6.835
266 HD21 LEU 32 3HD2 LEU 32 -8.269 0.290 6.611
267 HD22 LEU 32 1HD2 LEU 32 -7.627 0.447 4.957
268 HD23 LEU 32 2HD2 LEU 32 -8.432 1.816 5.711
269 H ASP 33 H ASP 33 -7.794 2.058 10.204
270 HA ASP 33 HA ASP 33 -8.234 4.273 11.900
271 HB2 ASP 33 2HB ASP 33 -8.901 2.390 13.012
272 HB3 ASP 33 1HB ASP 33 -7.695 1.381 12.229
273 H LYS 34 H LYS 34 -6.868 5.301 13.284
274 HA LYS 34 HA LYS 34 -4.319 6.004 12.201
275 HB2 LYS 34 2HB LYS 34 -4.116 7.542 14.040
276 HB3 LYS 34 1HB LYS 34 -5.774 7.610 13.450
277 HG2 LYS 34 2HG LYS 34 -6.639 6.654 15.332
278 HG3 LYS 34 1HG LYS 34 -5.185 5.713 15.647
279 HD2 LYS 34 2HD LYS 34 -4.089 7.958 16.208
280 HD3 LYS 34 1HD LYS 34 -5.738 8.590 16.278
281 HE2 LYS 34 2HE LYS 34 -4.934 7.882 18.493
282 HE3 LYS 34 1HE LYS 34 -6.327 6.940 17.962
283 HZ1 LYS 34 3HZ LYS 34 -4.943 5.097 17.434
284 HZ2 LYS 34 1HZ LYS 34 -4.496 5.589 18.965
285 HZ3 LYS 34 2HZ LYS 34 -3.513 5.952 17.630
286 H SER 35 H SER 35 -5.354 3.643 14.528
287 HA SER 35 HA SER 35 -2.931 3.727 16.095
288 HB2 SER 35 2HB SER 35 -5.152 1.681 16.186
289 HB3 SER 35 1HB SER 35 -4.061 2.163 17.494
290 HG SER 35 HG SER 35 -6.288 3.382 16.433
291 H THR 36 H THR 36 -4.490 1.893 13.590
292 HA THR 36 HA THR 36 -2.767 -0.114 13.192
293 HB THR 36 HB THR 36 -4.575 1.634 11.581
294 HG1 THR 36 HG1 THR 36 -5.641 0.364 12.998
295 HG21 THR 36 3HG2 THR 36 -3.179 -0.846 10.697
296 HG22 THR 36 1HG2 THR 36 -2.938 0.830 10.152
297 HG23 THR 36 2HG2 THR 36 -4.500 0.020 9.829
298 H VAL 37 H VAL 37 -2.779 3.272 11.849
299 HA VAL 37 HA VAL 37 -0.406 3.103 10.455
300 HB VAL 37 HB VAL 37 -1.686 5.429 11.862
301 HG11 VAL 37 1HG1 VAL 37 0.248 5.456 9.550
302 HG12 VAL 37 2HG1 VAL 37 0.656 5.776 11.227
303 HG13 VAL 37 3HG1 VAL 37 -0.440 6.864 10.382
304 HG21 VAL 37 3HG2 VAL 37 -2.673 5.945 9.667
305 HG22 VAL 37 1HG2 VAL 37 -3.213 4.390 10.303
306 HG23 VAL 37 2HG2 VAL 37 -1.988 4.451 9.034
307 H ASN 38 H ASN 38 -1.107 4.111 13.776
308 HA ASN 38 HA ASN 38 1.387 4.923 14.639
309 HB2 ASN 38 2HB ASN 38 -0.750 3.469 16.230
310 HB3 ASN 38 1HB ASN 38 0.662 4.235 16.929
311 HD21 ASN 38 2HD2 ASN 38 -0.786 7.465 15.571
312 HD22 ASN 38 1HD2 ASN 38 0.489 6.418 15.030
313 H ARG 39 H ARG 39 0.045 1.742 14.780
314 HA ARG 39 HA ARG 39 2.352 0.613 16.076
315 HB2 ARG 39 2HB ARG 39 1.392 -1.577 15.760
316 HB3 ARG 39 1HB ARG 39 0.078 -0.454 16.121
317 HG2 ARG 39 2HG ARG 39 -0.419 -0.348 13.713
318 HG3 ARG 39 1HG ARG 39 0.828 -1.551 13.439
319 HD2 ARG 39 2HD ARG 39 -0.399 -3.134 14.850
320 HD3 ARG 39 1HD ARG 39 -1.667 -1.925 15.085
321 HE ARG 39 HE ARG 39 -0.912 -2.962 12.439
322 HH11 ARG 39 1HH1 ARG 39 -3.447 -2.079 14.768
323 HH12 ARG 39 2HH1 ARG 39 -4.721 -2.310 13.670
324 HH21 ARG 39 2HH2 ARG 39 -4.271 -3.088 11.463
325 HH22 ARG 39 1HH2 ARG 39 -2.655 -3.333 10.969
326 H HIS 40 H HIS 40 1.425 0.954 12.771
327 HA HIS 40 HA HIS 40 3.524 -0.715 11.782
328 HB2 HIS 40 2HB HIS 40 1.506 1.053 10.460
329 HB3 HIS 40 1HB HIS 40 2.819 0.392 9.512
330 HD1 HIS 40 HD1 HIS 40 2.637 -2.413 9.089
331 HD2 HIS 40 HD2 HIS 40 -0.518 -0.671 11.211
332 HE1 HIS 40 HE1 HIS 40 0.863 -4.106 9.203
333 H LEU 41 H LEU 41 3.124 2.725 12.306
334 HA LEU 41 HA LEU 41 5.516 3.360 10.925
335 HB2 LEU 41 2HB LEU 41 5.349 5.574 11.908
336 HB3 LEU 41 1HB LEU 41 3.842 5.104 11.152
337 HG LEU 41 HG LEU 41 3.146 4.526 13.597
338 HD11 LEU 41 1HD1 LEU 41 5.260 4.784 14.682
339 HD12 LEU 41 2HD1 LEU 41 4.132 6.001 15.286
340 HD13 LEU 41 3HD1 LEU 41 5.390 6.452 14.126
341 HD21 LEU 41 3HD2 LEU 41 2.339 6.796 13.889
342 HD22 LEU 41 1HD2 LEU 41 2.160 6.143 12.262
343 HD23 LEU 41 2HD2 LEU 41 3.438 7.326 12.596
344 H TYR 42 H TYR 42 4.697 2.401 14.209
345 HA TYR 42 HA TYR 42 6.998 3.129 15.390
346 HB2 TYR 42 2HB TYR 42 4.771 1.373 15.715
347 HB3 TYR 42 1HB TYR 42 6.164 0.846 16.577
348 HD1 TYR 42 HD1 TYR 42 3.274 2.238 17.140
349 HD2 TYR 42 HD2 TYR 42 7.298 3.394 17.442
350 HE1 TYR 42 HE1 TYR 42 2.627 3.937 18.841
351 HE2 TYR 42 HE2 TYR 42 6.717 5.108 19.141
352 HH TYR 42 HH TYR 42 4.752 6.393 19.818
353 H ASN 43 H ASN 43 6.104 0.359 13.546
354 HA ASN 43 HA ASN 43 8.433 -1.199 14.019
355 HB2 ASN 43 2HB ASN 43 6.729 -1.145 11.528
356 HB3 ASN 43 1HB ASN 43 7.904 -2.398 11.920
357 HD21 ASN 43 2HD2 ASN 43 4.398 -3.258 12.933
358 HD22 ASN 43 1HD2 ASN 43 5.073 -2.587 11.487
359 H LEU 44 H LEU 44 7.659 1.071 11.473
360 HA LEU 44 HA LEU 44 10.167 0.956 10.150
361 HB2 LEU 44 2HB LEU 44 8.277 3.306 10.193
362 HB3 LEU 44 1HB LEU 44 9.499 2.962 9.042
363 HG LEU 44 HG LEU 44 7.093 1.203 9.387
364 HD11 LEU 44 1HD1 LEU 44 6.328 2.212 7.278
365 HD12 LEU 44 2HD1 LEU 44 7.701 3.315 7.315
366 HD13 LEU 44 3HD1 LEU 44 6.459 3.414 8.563
367 HD21 LEU 44 3HD2 LEU 44 7.862 0.304 7.184
368 HD22 LEU 44 1HD2 LEU 44 9.001 -0.000 8.500
369 HD23 LEU 44 2HD2 LEU 44 9.311 1.288 7.341
370 H GLN 45 H GLN 45 8.972 2.744 12.870
371 HA GLN 45 HA GLN 45 10.700 4.929 12.882
372 HB2 GLN 45 2HB GLN 45 8.583 4.310 14.356
373 HB3 GLN 45 1HB GLN 45 9.798 3.690 15.447
374 HG2 GLN 45 2HG GLN 45 9.789 5.794 16.296
375 HG3 GLN 45 1HG GLN 45 10.831 6.109 14.900
376 HE21 GLN 45 2HE2 GLN 45 8.565 8.073 13.227
377 HE22 GLN 45 1HE2 GLN 45 10.055 7.185 13.155
378 H ARG 46 H ARG 46 10.890 1.795 14.631
379 HA ARG 46 HA ARG 46 13.332 2.172 15.895
380 HB2 ARG 46 2HB ARG 46 11.827 -0.239 15.002
381 HB3 ARG 46 1HB ARG 46 13.473 -0.423 15.575
382 HG2 ARG 46 2HG ARG 46 12.118 -0.860 17.353
383 HG3 ARG 46 1HG ARG 46 12.753 0.784 17.628
384 HD2 ARG 46 2HD ARG 46 10.452 0.722 18.311
385 HD3 ARG 46 1HD ARG 46 10.539 1.610 16.794
386 HE ARG 46 HE ARG 46 9.584 -0.171 15.674
387 HH11 ARG 46 1HH1 ARG 46 9.680 -0.785 19.166
388 HH12 ARG 46 2HH1 ARG 46 8.415 -1.921 19.171
389 HH21 ARG 46 2HH2 ARG 46 7.299 -2.488 17.111
390 HH22 ARG 46 1HH2 ARG 46 7.762 -1.781 15.671
391 H SER 47 H SER 47 12.585 1.041 12.734
392 HA SER 47 HA SER 47 15.280 0.367 12.067
393 HB2 SER 47 2HB SER 47 12.884 0.645 10.261
394 HB3 SER 47 1HB SER 47 14.366 -0.258 9.934
395 HG SER 47 HG SER 47 12.708 -1.656 10.688
396 H ASN 48 H ASN 48 13.768 3.419 12.358
397 HA ASN 48 HA ASN 48 14.200 5.461 11.706
398 HB2 ASN 48 2HB ASN 48 16.587 4.653 12.183
399 HB3 ASN 48 1HB ASN 48 16.769 4.425 10.453
400 HD21 ASN 48 2HD2 ASN 48 16.953 8.122 12.079
401 HD22 ASN 48 1HD2 ASN 48 16.456 6.744 13.015
402 H GLN 49 H GLN 49 12.826 3.531 10.058
403 HA GLN 49 HA GLN 49 13.432 4.359 7.321
404 HB2 GLN 49 2HB GLN 49 12.798 1.924 8.068
405 HB3 GLN 49 1HB GLN 49 11.161 2.520 8.172
406 HG2 GLN 49 2HG GLN 49 12.848 2.521 5.662
407 HG3 GLN 49 1HG GLN 49 11.673 1.289 6.077
408 HE21 GLN 49 2HE2 GLN 49 9.118 4.046 5.641
409 HE22 GLN 49 1HE2 GLN 49 9.675 3.199 7.047
410 H VAL 50 H VAL 50 11.243 4.654 9.960
411 HA VAL 50 HA VAL 50 10.314 7.039 8.662
412 HB VAL 50 HB VAL 50 8.457 5.158 8.905
413 HG11 VAL 50 1HG1 VAL 50 8.385 6.316 11.662
414 HG12 VAL 50 2HG1 VAL 50 9.046 4.757 11.250
415 HG13 VAL 50 3HG1 VAL 50 7.313 5.070 10.994
416 HG21 VAL 50 3HG2 VAL 50 7.974 7.398 8.167
417 HG22 VAL 50 1HG2 VAL 50 7.985 7.978 9.833
418 HG23 VAL 50 2HG2 VAL 50 6.735 6.854 9.300
419 H PHE 51 H PHE 51 10.319 8.525 9.876
420 HA PHE 51 HA PHE 51 10.843 8.786 12.640
421 HB2 PHE 51 2HB PHE 51 13.034 8.218 11.025
422 HB3 PHE 51 1HB PHE 51 13.140 9.993 11.256
423 HD1 PHE 51 HD1 PHE 51 12.086 7.163 12.975
424 HD2 PHE 51 HD2 PHE 51 14.582 10.458 13.019
425 HE1 PHE 51 HE1 PHE 51 12.952 6.427 15.300
426 HE2 PHE 51 HE2 PHE 51 15.479 9.871 15.255
427 HZ PHE 51 HZ PHE 51 14.656 7.839 16.398
428 H ASN 52 H ASN 52 11.859 11.387 12.555
429 HA ASN 52 HA ASN 52 9.933 12.684 10.784
430 HB2 ASN 52 2HB ASN 52 11.296 13.848 13.200
431 HB3 ASN 52 1HB ASN 52 10.260 14.726 12.122
432 HD21 ASN 52 2HD2 ASN 52 7.424 12.516 13.164
433 HD22 ASN 52 1HD2 ASN 52 8.350 12.603 11.710
434 H SER 53 H SER 53 10.631 14.356 9.505
435 HA SER 53 HA SER 53 13.495 14.470 9.337
436 HB2 SER 53 2HB SER 53 12.805 12.637 7.863
437 HB3 SER 53 1HB SER 53 11.763 13.742 6.975
438 HG SER 53 HG SER 53 14.390 13.291 6.730
439 H ASN 54 H ASN 54 14.060 16.256 9.341
440 HA ASN 54 HA ASN 54 14.729 18.392 8.915
441 HB2 ASN 54 2HB ASN 54 15.762 18.333 6.902
442 HB3 ASN 54 1HB ASN 54 15.220 16.662 7.174
443 HD21 ASN 54 2HD2 ASN 54 13.012 16.568 4.469
444 HD22 ASN 54 1HD2 ASN 54 13.559 15.764 5.898
445 H GLU 55 H GLU 55 11.496 18.011 7.585
446 HA GLU 55 HA GLU 55 11.722 20.632 6.487
447 HB2 GLU 55 2HB GLU 55 9.331 20.229 5.669
448 HB3 GLU 55 1HB GLU 55 10.622 19.283 4.961
449 HG2 GLU 55 2HG GLU 55 10.022 17.425 6.430
450 HG3 GLU 55 1HG GLU 55 8.643 18.365 7.034
451 H LYS 56 H LYS 56 9.348 21.817 6.755
452 HA LYS 56 HA LYS 56 9.848 22.666 9.414
453 HB2 LYS 56 2HB LYS 56 8.033 23.936 7.374
454 HB3 LYS 56 1HB LYS 56 8.318 24.591 8.982
455 HG2 LYS 56 2HG LYS 56 10.566 24.061 7.041
456 HG3 LYS 56 1HG LYS 56 9.679 25.574 7.053
457 HD2 LYS 56 2HD LYS 56 11.788 25.815 8.277
458 HD3 LYS 56 1HD LYS 56 10.436 25.997 9.372
459 HE2 LYS 56 2HE LYS 56 12.372 24.748 10.294
460 HE3 LYS 56 1HE LYS 56 10.898 23.823 10.387
461 HZ1 LYS 56 3HZ LYS 56 12.755 22.450 9.658
462 HZ2 LYS 56 1HZ LYS 56 13.102 23.469 8.363
463 HZ3 LYS 56 2HZ LYS 56 11.675 22.556 8.414
464 HA PRO 57 HA PRO 57 5.893 20.730 10.587
465 HB2 PRO 57 2HB PRO 57 4.720 19.101 8.564
466 HB3 PRO 57 1HB PRO 57 4.034 20.608 9.194
467 HG2 PRO 57 2HG PRO 57 4.976 20.196 6.603
468 HG3 PRO 57 1HG PRO 57 4.573 21.753 7.347
469 HD2 PRO 57 2HD PRO 57 7.219 20.520 6.893
470 HD3 PRO 57 1HD PRO 57 6.766 22.231 7.020
471 HA PRO 58 HA PRO 58 9.084 17.477 10.847
472 HB2 PRO 58 2HB PRO 58 7.205 16.524 12.967
473 HB3 PRO 58 1HB PRO 58 8.962 16.773 13.063
474 HG2 PRO 58 2HG PRO 58 7.339 18.495 14.209
475 HG3 PRO 58 1HG PRO 58 8.790 19.046 13.346
476 HD2 PRO 58 2HD PRO 58 5.940 19.191 12.493
477 HD3 PRO 58 1HD PRO 58 7.277 20.324 12.202
478 H VAL 59 H VAL 59 8.879 16.156 9.099
479 HA VAL 59 HA VAL 59 6.321 14.964 8.527
480 HB VAL 59 HB VAL 59 7.875 15.800 6.746
481 HG11 VAL 59 1HG1 VAL 59 9.421 13.312 7.353
482 HG12 VAL 59 2HG1 VAL 59 9.971 14.977 7.549
483 HG13 VAL 59 3HG1 VAL 59 9.635 14.341 5.937
484 HG21 VAL 59 3HG2 VAL 59 6.058 14.455 6.063
485 HG22 VAL 59 1HG2 VAL 59 6.863 12.992 6.653
486 HG23 VAL 59 2HG2 VAL 59 7.515 13.821 5.264
487 H TRP 60 H TRP 60 5.583 13.062 8.791
488 HA TRP 60 HA TRP 60 7.429 11.167 9.903
489 HB2 TRP 60 2HB TRP 60 4.390 11.016 9.706
490 HB3 TRP 60 1HB TRP 60 5.434 9.776 10.397
491 HD1 TRP 60 HD1 TRP 60 4.867 13.554 11.045
492 HE1 TRP 60 HE1 TRP 60 4.812 13.940 13.591
493 HE3 TRP 60 HE3 TRP 60 5.644 8.756 12.597
494 HZ2 TRP 60 HZ2 TRP 60 5.048 12.406 15.942
495 HZ3 TRP 60 HZ3 TRP 60 5.712 8.304 15.018
496 HH2 TRP 60 HH2 TRP 60 5.422 10.086 16.647
497 H ASP 61 H ASP 61 8.481 10.501 8.323
498 HA ASP 61 HA ASP 61 7.777 8.613 6.491
499 HB2 ASP 61 2HB ASP 61 6.619 10.639 5.368
500 HB3 ASP 61 1HB ASP 61 8.208 11.368 5.227
501 H LEU 62 H LEU 62 9.753 9.129 4.743
502 HA LEU 62 HA LEU 62 12.124 10.004 6.192
503 HB2 LEU 62 2HB LEU 62 11.725 7.579 6.130
504 HB3 LEU 62 1HB LEU 62 11.819 7.596 4.381
505 HG LEU 62 HG LEU 62 14.249 8.389 4.632
506 HD11 LEU 62 1HD1 LEU 62 15.328 8.075 6.772
507 HD12 LEU 62 2HD1 LEU 62 13.768 7.725 7.517
508 HD13 LEU 62 3HD1 LEU 62 14.088 9.325 6.847
509 HD21 LEU 62 3HD2 LEU 62 13.512 5.742 5.860
510 HD22 LEU 62 1HD2 LEU 62 15.111 6.179 5.250
511 HD23 LEU 62 2HD2 LEU 62 13.741 6.068 4.144
512 H MET 63 H MET 63 13.741 9.607 3.775
513 HA MET 63 HA MET 63 12.261 11.194 1.819
514 HB2 MET 63 2HB MET 63 14.019 12.494 3.237
515 HB3 MET 63 1HB MET 63 15.100 11.417 2.309
516 HG2 MET 63 2HG MET 63 14.821 13.733 1.297
517 HG3 MET 63 1HG MET 63 14.517 12.357 0.239
518 HE1 MET 63 3HE MET 63 11.134 14.883 2.166
519 HE2 MET 63 1HE MET 63 12.849 15.209 2.416
520 HE3 MET 63 2HE MET 63 12.121 13.747 3.082
521 H GLU 64 H GLU 64 11.955 9.350 0.614
522 HA GLU 64 HA GLU 64 14.136 8.439 -0.918
523 HB2 GLU 64 2HB GLU 64 14.442 7.429 1.248
524 HB3 GLU 64 1HB GLU 64 12.851 6.715 1.210
525 HG2 GLU 64 2HG GLU 64 13.558 5.381 -0.812
526 HG3 GLU 64 1HG GLU 64 15.197 5.992 -0.567
Start of MODEL 10
1 HA MET 1 HA MET 1 6.410 -12.364 1.710
2 HB2 MET 1 2HB MET 1 5.532 -11.324 -0.422
3 HB3 MET 1 1HB MET 1 7.189 -10.950 -0.858
4 HG2 MET 1 2HG MET 1 7.715 -13.341 -0.921
5 HG3 MET 1 1HG MET 1 6.058 -13.720 -0.464
6 HE1 MET 1 2HE MET 1 7.386 -10.947 -3.002
7 HE2 MET 1 3HE MET 1 7.293 -11.850 -4.512
8 HE3 MET 1 1HE MET 1 8.436 -12.340 -3.264
9 H SER 2 H SER 2 8.621 -10.294 2.643
10 HA SER 2 HA SER 2 10.789 -11.800 3.028
11 HB2 SER 2 2HB SER 2 11.079 -11.923 0.504
12 HB3 SER 2 1HB SER 2 11.183 -10.166 0.470
13 HG SER 2 HG SER 2 13.142 -10.245 1.322
14 H ALA 3 H ALA 3 10.741 -10.597 4.848
15 HA ALA 3 HA ALA 3 10.863 -8.871 6.309
16 HB1 ALA 3 1HB ALA 3 12.259 -6.907 5.778
17 HB2 ALA 3 2HB ALA 3 12.253 -7.344 4.071
18 HB3 ALA 3 3HB ALA 3 13.078 -8.374 5.239
19 H GLU 4 H GLU 4 8.915 -8.455 6.721
20 HA GLU 4 HA GLU 4 7.144 -7.560 4.737
21 HB2 GLU 4 2HB GLU 4 6.767 -8.064 7.626
22 HB3 GLU 4 1HB GLU 4 5.419 -7.733 6.514
23 HG2 GLU 4 2HG GLU 4 7.254 -10.113 6.673
24 HG3 GLU 4 1HG GLU 4 5.491 -10.081 6.669
25 H THR 5 H THR 5 9.231 -5.698 6.063
26 HA THR 5 HA THR 5 7.954 -3.335 6.867
27 HB THR 5 HB THR 5 10.487 -3.665 5.233
28 HG1 THR 5 HG1 THR 5 10.097 -3.926 8.042
29 HG21 THR 5 3HG2 THR 5 11.263 -1.715 6.522
30 HG22 THR 5 1HG2 THR 5 9.724 -1.664 7.381
31 HG23 THR 5 2HG2 THR 5 9.779 -1.328 5.651
32 H GLN 6 H GLN 6 8.154 -5.027 3.938
33 HA GLN 6 HA GLN 6 7.824 -3.166 1.893
34 HB2 GLN 6 2HB GLN 6 6.625 -5.938 2.145
35 HB3 GLN 6 1HB GLN 6 6.749 -5.019 0.654
36 HG2 GLN 6 2HG GLN 6 9.172 -5.112 0.770
37 HG3 GLN 6 1HG GLN 6 9.083 -5.956 2.313
38 HE21 GLN 6 2HE2 GLN 6 9.611 -8.262 -0.629
39 HE22 GLN 6 1HE2 GLN 6 10.306 -6.753 -0.165
40 H MET 7 H MET 7 5.616 -4.332 4.345
41 HA MET 7 HA MET 7 3.185 -3.628 3.056
42 HB2 MET 7 2HB MET 7 3.788 -4.032 5.986
43 HB3 MET 7 1HB MET 7 2.177 -3.815 5.322
44 HG2 MET 7 2HG MET 7 4.050 -6.079 4.683
45 HG3 MET 7 1HG MET 7 2.681 -6.155 5.792
46 HE1 MET 7 3HE MET 7 3.148 -8.196 3.408
47 HE2 MET 7 1HE MET 7 1.510 -8.345 2.772
48 HE3 MET 7 2HE MET 7 1.779 -8.281 4.514
49 H GLU 8 H GLU 8 5.014 -2.122 5.578
50 HA GLU 8 HA GLU 8 3.458 0.181 5.887
51 HB2 GLU 8 2HB GLU 8 6.375 -0.331 6.414
52 HB3 GLU 8 1HB GLU 8 5.564 1.151 6.865
53 HG2 GLU 8 2HG GLU 8 5.844 -0.339 8.768
54 HG3 GLU 8 1HG GLU 8 4.151 -0.065 8.403
55 H ARG 9 H ARG 9 6.124 -0.595 3.853
56 HA ARG 9 HA ARG 9 6.687 2.138 3.113
57 HB2 ARG 9 2HB ARG 9 8.060 -0.262 2.917
58 HB3 ARG 9 1HB ARG 9 7.523 -0.050 1.271
59 HG2 ARG 9 2HG ARG 9 9.315 1.812 2.835
60 HG3 ARG 9 1HG ARG 9 9.810 0.704 1.570
61 HD2 ARG 9 2HD ARG 9 8.061 3.138 1.274
62 HD3 ARG 9 1HD ARG 9 9.726 2.967 0.733
63 HE ARG 9 HE ARG 9 8.119 0.993 -0.444
64 HH11 ARG 9 1HH1 ARG 9 9.270 4.295 -0.820
65 HH12 ARG 9 2HH1 ARG 9 8.309 4.626 -2.198
66 HH21 ARG 9 2HH2 ARG 9 6.930 3.035 -3.111
67 HH22 ARG 9 1HH2 ARG 9 6.868 1.433 -2.517
68 H LYS 10 H LYS 10 4.743 -0.391 1.699
69 HA LYS 10 HA LYS 10 4.335 1.230 -0.639
70 HB2 LYS 10 2HB LYS 10 2.571 -0.436 -1.292
71 HB3 LYS 10 1HB LYS 10 4.177 -1.104 -1.060
72 HG2 LYS 10 2HG LYS 10 3.500 -1.898 1.159
73 HG3 LYS 10 1HG LYS 10 1.884 -1.259 0.875
74 HD2 LYS 10 2HD LYS 10 1.474 -2.803 -0.864
75 HD3 LYS 10 1HD LYS 10 3.178 -3.250 -0.969
76 HE2 LYS 10 2HE LYS 10 1.851 -4.978 0.173
77 HE3 LYS 10 1HE LYS 10 3.078 -4.268 1.219
78 HZ1 LYS 10 3HZ LYS 10 0.174 -3.623 1.253
79 HZ2 LYS 10 1HZ LYS 10 1.366 -2.890 2.227
80 HZ3 LYS 10 2HZ LYS 10 1.046 -4.539 2.388
81 H ILE 11 H ILE 11 2.601 0.831 2.442
82 HA ILE 11 HA ILE 11 0.338 2.166 1.366
83 HB ILE 11 HB ILE 11 -0.427 2.284 3.645
84 HG12 ILE 11 2HG1 ILE 11 2.244 1.055 4.284
85 HG13 ILE 11 1HG1 ILE 11 1.562 2.547 4.910
86 HG21 ILE 11 1HG2 ILE 11 -0.642 -0.198 3.942
87 HG22 ILE 11 2HG2 ILE 11 0.702 -0.353 2.796
88 HG23 ILE 11 3HG2 ILE 11 -0.847 0.301 2.245
89 HD11 ILE 11 3HD1 ILE 11 0.674 -0.219 5.430
90 HD12 ILE 11 1HD1 ILE 11 -0.131 1.214 6.096
91 HD13 ILE 11 2HD1 ILE 11 1.543 0.832 6.562
92 H ILE 12 H ILE 12 3.204 3.080 3.207
93 HA ILE 12 HA ILE 12 2.099 5.664 3.566
94 HB ILE 12 HB ILE 12 4.050 6.362 4.594
95 HG12 ILE 12 2HG1 ILE 12 6.108 4.597 4.411
96 HG13 ILE 12 1HG1 ILE 12 5.417 4.521 2.812
97 HG21 ILE 12 1HG2 ILE 12 2.956 4.818 5.979
98 HG22 ILE 12 2HG2 ILE 12 4.699 4.682 6.213
99 HG23 ILE 12 3HG2 ILE 12 3.841 3.474 5.257
100 HD11 ILE 12 3HD1 ILE 12 5.494 7.041 2.631
101 HD12 ILE 12 1HD1 ILE 12 7.094 6.299 2.750
102 HD13 ILE 12 2HD1 ILE 12 6.353 7.083 4.142
103 H ASP 13 H ASP 13 4.080 4.134 1.096
104 HA ASP 13 HA ASP 13 5.052 6.479 -0.118
105 HB2 ASP 13 2HB ASP 13 5.781 4.100 -0.619
106 HB3 ASP 13 1HB ASP 13 4.320 3.939 -1.578
107 H PHE 14 H PHE 14 2.074 4.660 -0.531
108 HA PHE 14 HA PHE 14 1.021 6.230 -2.534
109 HB2 PHE 14 2HB PHE 14 -0.108 4.193 -2.132
110 HB3 PHE 14 1HB PHE 14 -0.209 4.496 -0.406
111 HD1 PHE 14 HD1 PHE 14 -1.628 5.403 -3.685
112 HD2 PHE 14 HD2 PHE 14 -2.008 5.619 0.525
113 HE1 PHE 14 HE1 PHE 14 -3.940 6.242 -3.949
114 HE2 PHE 14 HE2 PHE 14 -4.321 6.463 0.302
115 HZ PHE 14 HZ PHE 14 -5.289 6.772 -1.952
116 H LEU 15 H LEU 15 0.604 6.578 1.009
117 HA LEU 15 HA LEU 15 -0.899 8.904 0.772
118 HB2 LEU 15 2HB LEU 15 -1.293 8.290 2.777
119 HB3 LEU 15 1HB LEU 15 -0.006 7.115 2.786
120 HG LEU 15 HG LEU 15 0.039 8.384 4.718
121 HD11 LEU 15 1HD1 LEU 15 2.270 9.426 4.818
122 HD12 LEU 15 2HD1 LEU 15 2.364 9.249 3.064
123 HD13 LEU 15 3HD1 LEU 15 2.218 7.822 4.086
124 HD21 LEU 15 3HD2 LEU 15 -1.159 10.376 4.203
125 HD22 LEU 15 1HD2 LEU 15 0.113 10.894 3.090
126 HD23 LEU 15 2HD2 LEU 15 0.422 10.857 4.827
127 H ARG 16 H ARG 16 2.401 8.286 0.614
128 HA ARG 16 HA ARG 16 3.189 10.947 1.190
129 HB2 ARG 16 2HB ARG 16 5.167 9.916 1.562
130 HB3 ARG 16 1HB ARG 16 4.270 8.478 1.072
131 HG2 ARG 16 2HG ARG 16 5.124 8.518 -1.086
132 HG3 ARG 16 1HG ARG 16 5.848 10.121 -0.847
133 HD2 ARG 16 2HD ARG 16 7.345 9.321 0.775
134 HD3 ARG 16 1HD ARG 16 6.482 7.792 0.903
135 HE ARG 16 HE ARG 16 7.221 7.679 -1.576
136 HH11 ARG 16 1HH1 ARG 16 9.131 8.656 1.326
137 HH12 ARG 16 2HH1 ARG 16 10.573 7.996 0.694
138 HH21 ARG 16 2HH2 ARG 16 10.638 6.902 -1.359
139 HH22 ARG 16 1HH2 ARG 16 9.240 6.865 -2.364
140 H GLN 17 H GLN 17 2.305 9.189 -1.626
141 HA GLN 17 HA GLN 17 3.143 11.194 -3.482
142 HB2 GLN 17 2HB GLN 17 0.949 9.119 -3.748
143 HB3 GLN 17 1HB GLN 17 1.569 10.110 -5.055
144 HG2 GLN 17 2HG GLN 17 3.750 9.017 -4.839
145 HG3 GLN 17 1HG GLN 17 3.114 8.028 -3.524
146 HE21 GLN 17 2HE2 GLN 17 1.213 7.278 -7.012
147 HE22 GLN 17 1HE2 GLN 17 1.254 8.888 -6.366
148 H ASN 18 H ASN 18 0.436 10.669 -1.377
149 HA ASN 18 HA ASN 18 -1.182 12.795 -2.488
150 HB2 ASN 18 2HB ASN 18 -1.351 11.510 0.266
151 HB3 ASN 18 1HB ASN 18 -2.612 12.437 -0.534
152 HD21 ASN 18 2HD2 ASN 18 -2.743 9.515 -2.932
153 HD22 ASN 18 1HD2 ASN 18 -2.103 11.121 -3.129
154 H GLY 19 H GLY 19 0.947 12.228 0.147
155 HA2 GLY 19 2HA GLY 19 2.503 14.316 0.347
156 HA3 GLY 19 1HA GLY 19 1.007 15.016 0.956
157 H LYS 20 H LYS 20 3.584 12.632 1.608
158 HA LYS 20 HA LYS 20 2.835 11.507 3.912
159 HB2 LYS 20 2HB LYS 20 5.367 11.954 4.577
160 HB3 LYS 20 1HB LYS 20 4.903 10.770 3.381
161 HG2 LYS 20 2HG LYS 20 6.855 12.092 2.688
162 HG3 LYS 20 1HG LYS 20 5.507 12.301 1.587
163 HD2 LYS 20 2HD LYS 20 5.089 14.490 2.364
164 HD3 LYS 20 1HD LYS 20 6.091 14.278 3.795
165 HE2 LYS 20 2HE LYS 20 7.119 14.241 0.956
166 HE3 LYS 20 1HE LYS 20 7.151 15.655 2.008
167 HZ1 LYS 20 3HZ LYS 20 8.525 13.080 2.720
168 HZ2 LYS 20 1HZ LYS 20 8.613 14.601 3.476
169 HZ3 LYS 20 2HZ LYS 20 9.278 14.402 1.970
170 H SER 21 H SER 21 3.309 11.957 6.227
171 HA SER 21 HA SER 21 3.218 14.599 7.159
172 HB2 SER 21 2HB SER 21 1.257 14.766 5.601
173 HB3 SER 21 1HB SER 21 0.468 13.469 6.485
174 HG SER 21 HG SER 21 0.619 16.108 6.994
175 H ILE 22 H ILE 22 1.056 14.254 8.945
176 HA ILE 22 HA ILE 22 2.317 12.505 10.874
177 HB ILE 22 HB ILE 22 0.655 13.390 12.474
178 HG12 ILE 22 2HG1 ILE 22 -0.277 15.095 10.138
179 HG13 ILE 22 1HG1 ILE 22 -1.190 13.777 10.858
180 HG21 ILE 22 1HG2 ILE 22 2.160 15.480 10.901
181 HG22 ILE 22 2HG2 ILE 22 2.799 14.499 12.220
182 HG23 ILE 22 3HG2 ILE 22 1.535 15.688 12.538
183 HD11 ILE 22 3HD1 ILE 22 -0.398 16.340 12.230
184 HD12 ILE 22 1HD1 ILE 22 -1.326 15.028 12.957
185 HD13 ILE 22 2HD1 ILE 22 -2.001 15.945 11.609
186 H ALA 23 H ALA 23 0.863 11.266 12.322
187 HA ALA 23 HA ALA 23 -0.067 9.033 11.018
188 HB1 ALA 23 1HB ALA 23 0.706 9.078 13.332
189 HB2 ALA 23 2HB ALA 23 -0.869 8.287 13.181
190 HB3 ALA 23 3HB ALA 23 -0.763 9.947 13.779
191 H LEU 24 H LEU 24 -1.793 11.914 11.795
192 HA LEU 24 HA LEU 24 -4.415 10.764 11.855
193 HB2 LEU 24 2HB LEU 24 -3.730 12.902 13.010
194 HB3 LEU 24 1HB LEU 24 -3.583 13.655 11.447
195 HG LEU 24 HG LEU 24 -5.630 14.292 12.725
196 HD11 LEU 24 1HD1 LEU 24 -5.648 14.586 10.331
197 HD12 LEU 24 2HD1 LEU 24 -7.243 14.104 10.908
198 HD13 LEU 24 3HD1 LEU 24 -6.201 12.926 10.111
199 HD21 LEU 24 3HD2 LEU 24 -6.088 12.167 13.803
200 HD22 LEU 24 1HD2 LEU 24 -6.472 11.438 12.243
201 HD23 LEU 24 2HD2 LEU 24 -7.493 12.721 12.892
202 H THR 25 H THR 25 -2.403 12.445 9.486
203 HA THR 25 HA THR 25 -4.293 12.600 7.424
204 HB THR 25 HB THR 25 -1.310 12.406 7.240
205 HG1 THR 25 HG1 THR 25 -1.199 14.454 7.891
206 HG21 THR 25 3HG2 THR 25 -3.370 13.803 5.517
207 HG22 THR 25 1HG2 THR 25 -2.616 12.250 5.181
208 HG23 THR 25 2HG2 THR 25 -1.622 13.717 5.198
209 H ILE 26 H ILE 26 -1.594 10.422 8.037
210 HA ILE 26 HA ILE 26 -1.791 8.815 5.816
211 HB ILE 26 HB ILE 26 -1.051 7.778 8.575
212 HG12 ILE 26 2HG1 ILE 26 0.696 9.159 6.488
213 HG13 ILE 26 1HG1 ILE 26 0.219 9.839 8.031
214 HG21 ILE 26 1HG2 ILE 26 -1.373 6.035 6.983
215 HG22 ILE 26 2HG2 ILE 26 0.369 6.207 7.254
216 HG23 ILE 26 3HG2 ILE 26 -0.383 6.853 5.787
217 HD11 ILE 26 3HD1 ILE 26 2.513 9.052 8.064
218 HD12 ILE 26 1HD1 ILE 26 1.975 7.426 7.639
219 HD13 ILE 26 2HD1 ILE 26 1.517 8.130 9.190
220 H ALA 27 H ALA 27 -3.455 8.511 8.897
221 HA ALA 27 HA ALA 27 -4.827 6.137 8.435
222 HB1 ALA 27 1HB ALA 27 -4.636 7.214 10.612
223 HB2 ALA 27 2HB ALA 27 -6.319 6.865 10.211
224 HB3 ALA 27 3HB ALA 27 -5.698 8.513 10.068
225 H LYS 28 H LYS 28 -5.602 9.503 7.368
226 HA LYS 28 HA LYS 28 -8.219 8.800 6.658
227 HB2 LYS 28 2HB LYS 28 -8.143 10.999 7.253
228 HB3 LYS 28 1HB LYS 28 -6.459 11.177 6.779
229 HG2 LYS 28 2HG LYS 28 -7.073 11.110 4.553
230 HG3 LYS 28 1HG LYS 28 -8.812 11.073 4.928
231 HD2 LYS 28 2HD LYS 28 -8.561 13.285 6.032
232 HD3 LYS 28 1HD LYS 28 -6.836 13.272 5.648
233 HE2 LYS 28 2HE LYS 28 -9.119 13.333 3.669
234 HE3 LYS 28 1HE LYS 28 -8.024 14.662 4.045
235 HZ1 LYS 28 3HZ LYS 28 -6.178 13.106 3.247
236 HZ2 LYS 28 1HZ LYS 28 -7.190 13.604 2.001
237 HZ3 LYS 28 2HZ LYS 28 -7.287 12.090 2.715
238 H GLU 29 H GLU 29 -5.066 9.157 5.096
239 HA GLU 29 HA GLU 29 -6.092 9.163 2.450
240 HB2 GLU 29 2HB GLU 29 -3.311 8.336 3.238
241 HB3 GLU 29 1HB GLU 29 -3.834 9.006 1.704
242 HG2 GLU 29 2HG GLU 29 -3.408 10.382 4.329
243 HG3 GLU 29 1HG GLU 29 -2.649 10.704 2.785
244 H ILE 30 H ILE 30 -4.817 6.694 4.593
245 HA ILE 30 HA ILE 30 -5.171 4.745 2.450
246 HB ILE 30 HB ILE 30 -4.116 3.071 3.911
247 HG12 ILE 30 2HG1 ILE 30 -3.663 5.390 5.793
248 HG13 ILE 30 1HG1 ILE 30 -4.714 4.026 6.115
249 HG21 ILE 30 1HG2 ILE 30 -2.536 5.608 3.476
250 HG22 ILE 30 2HG2 ILE 30 -2.761 4.292 2.321
251 HG23 ILE 30 3HG2 ILE 30 -1.829 4.025 3.795
252 HD11 ILE 30 3HD1 ILE 30 -2.727 2.549 6.068
253 HD12 ILE 30 1HD1 ILE 30 -2.624 3.797 7.311
254 HD13 ILE 30 2HD1 ILE 30 -1.715 3.968 5.809
255 H GLY 31 H GLY 31 -7.049 5.981 4.791
256 HA2 GLY 31 2HA GLY 31 -9.193 5.441 5.404
257 HA3 GLY 31 1HA GLY 31 -9.097 4.061 4.325
258 H LEU 32 H LEU 32 -6.742 4.415 6.792
259 HA LEU 32 HA LEU 32 -8.001 2.158 8.205
260 HB2 LEU 32 2HB LEU 32 -5.079 2.947 8.353
261 HB3 LEU 32 1HB LEU 32 -5.810 1.521 9.044
262 HG LEU 32 HG LEU 32 -5.127 2.093 6.185
263 HD11 LEU 32 1HD1 LEU 32 -3.997 -0.038 6.298
264 HD12 LEU 32 2HD1 LEU 32 -4.510 -0.223 7.974
265 HD13 LEU 32 3HD1 LEU 32 -3.416 1.086 7.528
266 HD21 LEU 32 3HD2 LEU 32 -6.295 0.055 5.509
267 HD22 LEU 32 1HD2 LEU 32 -7.368 1.325 6.087
268 HD23 LEU 32 2HD2 LEU 32 -7.014 -0.067 7.131
269 H ASP 33 H ASP 33 -6.690 2.295 10.647
270 HA ASP 33 HA ASP 33 -7.780 4.827 11.531
271 HB2 ASP 33 2HB ASP 33 -8.680 2.690 12.601
272 HB3 ASP 33 1HB ASP 33 -7.088 2.468 13.303
273 H LYS 34 H LYS 34 -6.546 5.375 13.763
274 HA LYS 34 HA LYS 34 -4.082 6.458 12.704
275 HB2 LYS 34 2HB LYS 34 -5.380 7.053 15.398
276 HB3 LYS 34 1HB LYS 34 -4.182 8.018 14.566
277 HG2 LYS 34 2HG LYS 34 -6.301 9.177 14.433
278 HG3 LYS 34 1HG LYS 34 -5.948 8.550 12.820
279 HD2 LYS 34 2HD LYS 34 -7.403 6.649 13.223
280 HD3 LYS 34 1HD LYS 34 -7.733 7.208 14.856
281 HE2 LYS 34 2HE LYS 34 -9.004 9.021 13.984
282 HE3 LYS 34 1HE LYS 34 -8.454 8.679 12.335
283 HZ1 LYS 34 3HZ LYS 34 -9.750 6.538 13.853
284 HZ2 LYS 34 1HZ LYS 34 -9.667 6.735 12.230
285 HZ3 LYS 34 2HZ LYS 34 -10.778 7.673 13.121
286 H SER 35 H SER 35 -5.300 4.001 14.765
287 HA SER 35 HA SER 35 -3.120 3.850 16.601
288 HB2 SER 35 2HB SER 35 -4.358 1.642 17.038
289 HB3 SER 35 1HB SER 35 -5.257 3.137 17.373
290 HG SER 35 HG SER 35 -6.531 2.763 15.693
291 H THR 36 H THR 36 -4.364 2.353 13.767
292 HA THR 36 HA THR 36 -2.616 0.317 13.290
293 HB THR 36 HB THR 36 -3.731 2.009 11.105
294 HG1 THR 36 HG1 THR 36 -5.228 0.656 13.168
295 HG21 THR 36 3HG2 THR 36 -3.944 -0.816 11.933
296 HG22 THR 36 1HG2 THR 36 -2.758 -0.217 10.752
297 HG23 THR 36 2HG2 THR 36 -4.512 -0.137 10.390
298 H VAL 37 H VAL 37 -2.611 3.682 11.962
299 HA VAL 37 HA VAL 37 -0.180 3.590 10.649
300 HB VAL 37 HB VAL 37 -1.511 5.938 11.980
301 HG11 VAL 37 1HG1 VAL 37 -0.308 7.268 10.303
302 HG12 VAL 37 2HG1 VAL 37 0.532 5.809 9.766
303 HG13 VAL 37 3HG1 VAL 37 0.768 6.421 11.407
304 HG21 VAL 37 3HG2 VAL 37 -3.011 4.822 10.430
305 HG22 VAL 37 1HG2 VAL 37 -1.775 4.876 9.175
306 HG23 VAL 37 2HG2 VAL 37 -2.493 6.372 9.770
307 H ASN 38 H ASN 38 -0.914 4.461 13.994
308 HA ASN 38 HA ASN 38 1.601 5.308 14.791
309 HB2 ASN 38 2HB ASN 38 -0.692 4.160 16.275
310 HB3 ASN 38 1HB ASN 38 0.865 4.174 17.092
311 HD21 ASN 38 2HD2 ASN 38 -1.172 7.592 16.488
312 HD22 ASN 38 1HD2 ASN 38 -1.619 6.092 15.711
313 H ARG 39 H ARG 39 0.387 2.002 14.601
314 HA ARG 39 HA ARG 39 2.747 0.979 15.843
315 HB2 ARG 39 2HB ARG 39 2.199 -1.255 15.152
316 HB3 ARG 39 1HB ARG 39 0.674 -0.457 15.533
317 HG2 ARG 39 2HG ARG 39 -0.016 -0.444 13.360
318 HG3 ARG 39 1HG ARG 39 1.610 -0.391 12.755
319 HD2 ARG 39 2HD ARG 39 0.516 -2.838 14.085
320 HD3 ARG 39 1HD ARG 39 0.438 -2.571 12.337
321 HE ARG 39 HE ARG 39 2.881 -2.995 13.935
322 HH11 ARG 39 1HH1 ARG 39 1.393 -2.720 10.714
323 HH12 ARG 39 2HH1 ARG 39 2.848 -3.050 9.884
324 HH21 ARG 39 2HH2 ARG 39 4.753 -3.586 10.986
325 HH22 ARG 39 1HH2 ARG 39 4.859 -3.551 12.695
326 H HIS 40 H HIS 40 1.876 1.613 12.521
327 HA HIS 40 HA HIS 40 4.087 0.283 11.357
328 HB2 HIS 40 2HB HIS 40 2.504 2.617 10.281
329 HB3 HIS 40 1HB HIS 40 3.686 1.697 9.358
330 HD1 HIS 40 HD1 HIS 40 2.819 -0.985 8.832
331 HD2 HIS 40 HD2 HIS 40 -0.029 1.689 10.278
332 HE1 HIS 40 HE1 HIS 40 0.607 -1.961 8.309
333 H LEU 41 H LEU 41 3.631 3.537 12.475
334 HA LEU 41 HA LEU 41 6.122 4.439 11.369
335 HB2 LEU 41 2HB LEU 41 5.686 6.548 12.519
336 HB3 LEU 41 1HB LEU 41 4.402 6.070 11.420
337 HG LEU 41 HG LEU 41 3.311 5.181 13.654
338 HD11 LEU 41 1HD1 LEU 41 3.759 6.570 15.575
339 HD12 LEU 41 2HD1 LEU 41 5.095 7.337 14.716
340 HD13 LEU 41 3HD1 LEU 41 5.167 5.617 15.109
341 HD21 LEU 41 3HD2 LEU 41 2.127 7.230 13.875
342 HD22 LEU 41 1HD2 LEU 41 2.436 6.858 12.181
343 HD23 LEU 41 2HD2 LEU 41 3.403 8.101 12.998
344 H TYR 42 H TYR 42 5.111 3.174 14.363
345 HA TYR 42 HA TYR 42 7.297 4.173 15.790
346 HB2 TYR 42 2HB TYR 42 4.869 2.759 16.195
347 HB3 TYR 42 1HB TYR 42 6.110 2.208 17.252
348 HD1 TYR 42 HD1 TYR 42 7.485 4.699 17.892
349 HD2 TYR 42 HD2 TYR 42 3.380 4.029 17.282
350 HE1 TYR 42 HE1 TYR 42 6.991 6.691 19.285
351 HE2 TYR 42 HE2 TYR 42 2.821 6.024 18.667
352 HH TYR 42 HH TYR 42 3.815 7.402 20.363
353 H ASN 43 H ASN 43 6.184 1.337 14.278
354 HA ASN 43 HA ASN 43 8.113 -0.470 15.311
355 HB2 ASN 43 2HB ASN 43 6.362 -0.619 12.861
356 HB3 ASN 43 1HB ASN 43 7.617 -1.814 13.120
357 HD21 ASN 43 2HD2 ASN 43 4.859 -1.849 16.121
358 HD22 ASN 43 1HD2 ASN 43 5.707 -0.402 15.703
359 H LEU 44 H LEU 44 8.132 1.651 12.369
360 HA LEU 44 HA LEU 44 10.684 0.496 11.829
361 HB2 LEU 44 2HB LEU 44 9.035 2.501 10.439
362 HB3 LEU 44 1HB LEU 44 10.482 1.714 9.782
363 HG LEU 44 HG LEU 44 7.830 0.414 10.409
364 HD11 LEU 44 1HD1 LEU 44 7.813 1.553 8.300
365 HD12 LEU 44 2HD1 LEU 44 7.876 -0.186 8.005
366 HD13 LEU 44 3HD1 LEU 44 9.330 0.791 7.829
367 HD21 LEU 44 3HD2 LEU 44 9.578 -1.139 11.059
368 HD22 LEU 44 1HD2 LEU 44 10.397 -0.913 9.511
369 HD23 LEU 44 2HD2 LEU 44 8.820 -1.696 9.571
370 H GLN 45 H GLN 45 9.401 3.090 13.558
371 HA GLN 45 HA GLN 45 11.410 5.023 13.238
372 HB2 GLN 45 2HB GLN 45 9.312 5.440 14.366
373 HB3 GLN 45 1HB GLN 45 9.798 4.367 15.675
374 HG2 GLN 45 2HG GLN 45 11.520 5.798 16.349
375 HG3 GLN 45 1HG GLN 45 11.400 6.755 14.868
376 HE21 GLN 45 2HE2 GLN 45 8.764 8.618 15.896
377 HE22 GLN 45 1HE2 GLN 45 9.758 8.110 14.597
378 H ARG 46 H ARG 46 10.979 2.173 15.153
379 HA ARG 46 HA ARG 46 13.143 2.405 16.976
380 HB2 ARG 46 2HB ARG 46 11.929 -0.117 15.845
381 HB3 ARG 46 1HB ARG 46 12.940 -0.022 17.268
382 HG2 ARG 46 2HG ARG 46 10.172 1.123 16.945
383 HG3 ARG 46 1HG ARG 46 10.619 -0.305 17.876
384 HD2 ARG 46 2HD ARG 46 10.582 1.206 19.585
385 HD3 ARG 46 1HD ARG 46 12.235 1.441 19.002
386 HE ARG 46 HE ARG 46 10.476 3.185 17.661
387 HH11 ARG 46 1HH1 ARG 46 12.128 2.763 20.752
388 HH12 ARG 46 2HH1 ARG 46 12.023 4.388 21.244
389 HH21 ARG 46 2HH2 ARG 46 10.936 5.990 19.816
390 HH22 ARG 46 1HH2 ARG 46 10.285 5.534 18.350
391 H SER 47 H SER 47 12.870 1.352 13.759
392 HA SER 47 HA SER 47 15.547 0.226 13.660
393 HB2 SER 47 2HB SER 47 13.727 -1.033 12.611
394 HB3 SER 47 1HB SER 47 13.366 0.334 11.563
395 HG SER 47 HG SER 47 15.812 -0.028 11.080
396 H ASN 48 H ASN 48 14.225 3.345 13.315
397 HA ASN 48 HA ASN 48 14.786 5.209 12.370
398 HB2 ASN 48 2HB ASN 48 17.452 3.834 12.300
399 HB3 ASN 48 1HB ASN 48 17.278 5.517 11.790
400 HD21 ASN 48 2HD2 ASN 48 17.317 4.486 15.695
401 HD22 ASN 48 1HD2 ASN 48 17.295 3.289 14.443
402 H GLN 49 H GLN 49 13.683 3.246 10.790
403 HA GLN 49 HA GLN 49 14.762 3.867 8.140
404 HB2 GLN 49 2HB GLN 49 14.039 1.486 8.854
405 HB3 GLN 49 1HB GLN 49 12.400 2.092 8.852
406 HG2 GLN 49 2HG GLN 49 14.229 1.866 6.450
407 HG3 GLN 49 1HG GLN 49 12.864 0.823 6.827
408 HE21 GLN 49 2HE2 GLN 49 10.460 3.156 5.800
409 HE22 GLN 49 1HE2 GLN 49 10.778 1.745 6.745
410 H VAL 50 H VAL 50 11.781 4.064 10.161
411 HA VAL 50 HA VAL 50 11.002 6.307 8.538
412 HB VAL 50 HB VAL 50 8.853 5.755 8.601
413 HG11 VAL 50 1HG1 VAL 50 9.896 3.117 8.445
414 HG12 VAL 50 2HG1 VAL 50 9.570 4.298 7.201
415 HG13 VAL 50 3HG1 VAL 50 8.235 3.596 8.113
416 HG21 VAL 50 3HG2 VAL 50 8.243 5.768 10.811
417 HG22 VAL 50 1HG2 VAL 50 9.169 4.321 11.193
418 HG23 VAL 50 2HG2 VAL 50 7.698 4.208 10.211
419 H PHE 51 H PHE 51 10.425 7.890 9.633
420 HA PHE 51 HA PHE 51 9.909 8.131 12.364
421 HB2 PHE 51 2HB PHE 51 11.973 9.606 12.979
422 HB3 PHE 51 1HB PHE 51 12.164 7.861 12.972
423 HD1 PHE 51 HD1 PHE 51 13.865 6.925 11.897
424 HD2 PHE 51 HD2 PHE 51 12.698 10.833 10.776
425 HE1 PHE 51 HE1 PHE 51 15.801 7.037 10.463
426 HE2 PHE 51 HE2 PHE 51 14.665 11.000 9.291
427 HZ PHE 51 HZ PHE 51 16.233 9.100 9.125
428 H ASN 52 H ASN 52 10.521 10.795 12.900
429 HA ASN 52 HA ASN 52 9.282 12.100 10.635
430 HB2 ASN 52 2HB ASN 52 8.301 13.710 12.221
431 HB3 ASN 52 1HB ASN 52 7.638 12.090 12.161
432 HD21 ASN 52 2HD2 ASN 52 8.225 13.497 15.663
433 HD22 ASN 52 1HD2 ASN 52 7.591 14.201 14.198
434 H SER 53 H SER 53 10.251 13.518 9.766
435 HA SER 53 HA SER 53 12.150 15.306 11.061
436 HB2 SER 53 2HB SER 53 13.282 13.043 11.002
437 HB3 SER 53 1HB SER 53 13.288 13.226 9.243
438 HG SER 53 HG SER 53 14.867 14.444 11.166
439 H ASN 54 H ASN 54 13.873 15.603 8.847
440 HA ASN 54 HA ASN 54 14.355 16.349 6.789
441 HB2 ASN 54 2HB ASN 54 13.483 14.289 6.002
442 HB3 ASN 54 1HB ASN 54 11.832 14.876 6.090
443 HD21 ASN 54 2HD2 ASN 54 11.899 16.347 2.930
444 HD22 ASN 54 1HD2 ASN 54 10.975 16.051 4.337
445 H GLU 55 H GLU 55 11.384 17.595 8.040
446 HA GLU 55 HA GLU 55 11.754 19.899 6.385
447 HB2 GLU 55 2HB GLU 55 9.277 19.708 5.610
448 HB3 GLU 55 1HB GLU 55 10.513 18.782 4.772
449 HG2 GLU 55 2HG GLU 55 9.932 16.890 6.318
450 HG3 GLU 55 1HG GLU 55 8.450 17.758 6.735
451 H LYS 56 H LYS 56 9.725 21.398 6.768
452 HA LYS 56 HA LYS 56 10.045 22.260 9.401
453 HB2 LYS 56 2HB LYS 56 7.878 23.112 7.441
454 HB3 LYS 56 1HB LYS 56 8.160 23.873 8.997
455 HG2 LYS 56 2HG LYS 56 10.408 24.504 8.271
456 HG3 LYS 56 1HG LYS 56 10.115 23.730 6.713
457 HD2 LYS 56 2HD LYS 56 8.270 25.275 6.277
458 HD3 LYS 56 1HD LYS 56 8.518 26.029 7.852
459 HE2 LYS 56 2HE LYS 56 10.768 26.720 7.159
460 HE3 LYS 56 1HE LYS 56 10.512 25.967 5.585
461 HZ1 LYS 56 3HZ LYS 56 8.695 27.519 5.183
462 HZ2 LYS 56 1HZ LYS 56 10.133 28.349 5.502
463 HZ3 LYS 56 2HZ LYS 56 8.942 28.237 6.693
464 HA PRO 57 HA PRO 57 6.277 19.991 10.846
465 HB2 PRO 57 2HB PRO 57 4.848 18.514 8.880
466 HB3 PRO 57 1HB PRO 57 4.299 20.024 9.628
467 HG2 PRO 57 2HG PRO 57 4.929 19.713 6.949
468 HG3 PRO 57 1HG PRO 57 4.798 21.255 7.816
469 HD2 PRO 57 2HD PRO 57 7.232 19.702 7.107
470 HD3 PRO 57 1HD PRO 57 6.983 21.459 7.161
471 HA PRO 58 HA PRO 58 9.372 16.618 10.739
472 HB2 PRO 58 2HB PRO 58 7.504 15.742 12.918
473 HB3 PRO 58 1HB PRO 58 9.284 15.763 12.920
474 HG2 PRO 58 2HG PRO 58 7.985 17.625 14.220
475 HG3 PRO 58 1HG PRO 58 9.414 18.038 13.249
476 HD2 PRO 58 2HD PRO 58 6.547 18.554 12.665
477 HD3 PRO 58 1HD PRO 58 7.983 19.510 12.244
478 H VAL 59 H VAL 59 9.106 15.295 9.053
479 HA VAL 59 HA VAL 59 6.454 14.493 8.343
480 HB VAL 59 HB VAL 59 8.070 15.327 6.676
481 HG11 VAL 59 1HG1 VAL 59 10.133 14.253 7.364
482 HG12 VAL 59 2HG1 VAL 59 9.748 13.846 5.688
483 HG13 VAL 59 3HG1 VAL 59 9.457 12.673 6.961
484 HG21 VAL 59 3HG2 VAL 59 6.938 12.602 6.275
485 HG22 VAL 59 1HG2 VAL 59 7.543 13.595 4.969
486 HG23 VAL 59 2HG2 VAL 59 6.139 14.140 5.912
487 H TRP 60 H TRP 60 5.520 12.605 8.777
488 HA TRP 60 HA TRP 60 7.303 10.452 9.405
489 HB2 TRP 60 2HB TRP 60 4.275 10.446 9.249
490 HB3 TRP 60 1HB TRP 60 5.284 9.130 9.854
491 HD1 TRP 60 HD1 TRP 60 4.217 12.595 10.647
492 HE1 TRP 60 HE1 TRP 60 4.396 13.010 13.242
493 HE3 TRP 60 HE3 TRP 60 6.589 8.346 11.888
494 HZ2 TRP 60 HZ2 TRP 60 5.478 11.634 15.466
495 HZ3 TRP 60 HZ3 TRP 60 7.212 7.941 14.231
496 HH2 TRP 60 HH2 TRP 60 6.671 9.551 15.982
497 H ASP 61 H ASP 61 8.235 9.991 7.894
498 HA ASP 61 HA ASP 61 7.195 8.882 5.430
499 HB2 ASP 61 2HB ASP 61 7.466 11.366 4.980
500 HB3 ASP 61 1HB ASP 61 9.167 11.222 5.387
501 H LEU 62 H LEU 62 9.381 8.462 4.255
502 HA LEU 62 HA LEU 62 11.252 7.437 6.202
503 HB2 LEU 62 2HB LEU 62 11.134 5.122 5.246
504 HB3 LEU 62 1HB LEU 62 9.802 5.853 6.162
505 HG LEU 62 HG LEU 62 8.435 6.084 4.265
506 HD11 LEU 62 1HD1 LEU 62 10.673 4.961 2.628
507 HD12 LEU 62 2HD1 LEU 62 10.072 6.618 2.584
508 HD13 LEU 62 3HD1 LEU 62 9.039 5.287 2.057
509 HD21 LEU 62 3HD2 LEU 62 9.643 3.341 4.288
510 HD22 LEU 62 1HD2 LEU 62 8.065 3.774 3.643
511 HD23 LEU 62 2HD2 LEU 62 8.379 3.931 5.373
512 H MET 63 H MET 63 12.966 5.920 4.928
513 HA MET 63 HA MET 63 14.342 7.893 3.246
514 HB2 MET 63 2HB MET 63 15.291 5.511 4.799
515 HB3 MET 63 1HB MET 63 16.332 6.437 3.735
516 HG2 MET 63 2HG MET 63 14.883 7.544 6.136
517 HG3 MET 63 1HG MET 63 16.590 7.101 6.087
518 HE1 MET 63 3HE MET 63 17.239 9.544 6.964
519 HE2 MET 63 1HE MET 63 15.529 9.975 7.007
520 HE3 MET 63 2HE MET 63 16.684 11.031 6.194
521 H GLU 64 H GLU 64 12.292 5.876 2.299
522 HA GLU 64 HA GLU 64 13.889 4.712 0.150
523 HB2 GLU 64 2HB GLU 64 13.500 2.993 1.891
524 HB3 GLU 64 1HB GLU 64 11.781 3.284 1.818
525 HG2 GLU 64 2HG GLU 64 12.249 1.241 0.652
526 HG3 GLU 64 1HG GLU 64 11.781 2.450 -0.533