Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
549748 | 2lug RC | 18520 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 SER 1 H SER 1 -0.525 -0.851 0.000
2 HA SER 1 HA SER 1 1.475 1.311 0.826
3 HB2 SER 1 1HB SER 1 2.341 2.153 -1.108
4 HB3 SER 1 2HB SER 1 2.303 0.377 -1.199
5 HG SER 1 HG SER 1 0.422 0.589 -2.495
6 H GLN 2 H GLN 2 1.419 3.660 0.414
7 HA GLN 2 HA GLN 2 -1.410 4.617 0.469
8 HB2 GLN 2 1HB GLN 2 1.152 5.979 1.329
9 HB3 GLN 2 2HB GLN 2 -0.501 6.609 1.528
10 HG2 GLN 2 1HG GLN 2 0.638 4.168 3.150
11 HG3 GLN 2 2HG GLN 2 0.313 5.892 3.446
12 HE21 GLN 2 2HE2 GLN 2 -0.922 2.735 3.539
13 HE22 GLN 2 1HE2 GLN 2 -2.590 3.120 3.804
14 H HIS 3 H HIS 3 -1.928 6.675 -0.473
15 HA HIS 3 HA HIS 3 -0.514 6.990 -3.091
16 HB2 HIS 3 1HB HIS 3 -3.281 8.022 -2.343
17 HB3 HIS 3 2HB HIS 3 -2.569 7.877 -3.967
18 HD2 HIS 3 HD2 HIS 3 -4.589 5.655 -1.389
19 HE1 HIS 3 HE1 HIS 3 -3.607 3.362 -4.828
20 HE2 HIS 3 HE2 HIS 3 -4.979 3.495 -2.590
21 H GLY 4 H GLY 4 0.121 8.936 -3.876
22 HA2 GLY 4 1HA GLY 4 -0.338 11.472 -2.781
23 HA3 GLY 4 2HA GLY 4 1.055 10.806 -1.898
24 H ARG 5 H ARG 5 2.179 12.662 -2.882
25 HA ARG 5 HA ARG 5 2.991 12.115 -5.714
26 HB2 ARG 5 1HB ARG 5 3.271 14.600 -4.085
27 HB3 ARG 5 2HB ARG 5 3.948 14.334 -5.708
28 HG2 ARG 5 1HG ARG 5 1.672 14.026 -6.600
29 HG3 ARG 5 2HG ARG 5 1.003 14.316 -4.975
30 HD2 ARG 5 1HD ARG 5 1.873 16.562 -5.008
31 HD3 ARG 5 2HD ARG 5 2.575 16.276 -6.618
32 HE ARG 5 HE ARG 5 -0.272 15.918 -6.876
33 HH11 ARG 5 1HH1 ARG 5 1.918 18.502 -6.048
34 HH12 ARG 5 2HH1 ARG 5 0.800 19.673 -6.718
35 HH21 ARG 5 1HH2 ARG 5 -1.567 17.248 -7.640
36 HH22 ARG 5 2HH2 ARG 5 -1.189 18.959 -7.625
37 H THR 6 H THR 6 3.864 10.898 -2.990
38 HA THR 6 HA THR 6 6.774 11.558 -3.160
39 HB THR 6 HB THR 6 5.194 10.029 -1.048
40 HG1 THR 6 HG1 THR 6 5.716 11.921 0.201
41 HG21 THR 6 1HG2 THR 6 7.293 10.116 0.252
42 HG22 THR 6 2HG2 THR 6 7.518 9.217 -1.268
43 HG23 THR 6 3HG2 THR 6 8.114 10.887 -1.125
44 H GLN 7 H GLN 7 8.328 10.129 -3.602
45 HA GLN 7 HA GLN 7 7.610 7.937 -5.321
46 HB2 GLN 7 1HB GLN 7 9.713 9.219 -5.474
47 HB3 GLN 7 2HB GLN 7 10.220 8.535 -3.911
48 HG2 GLN 7 1HG GLN 7 10.221 6.131 -5.148
49 HG3 GLN 7 2HG GLN 7 9.609 7.222 -6.413
50 HE21 GLN 7 2HE2 GLN 7 11.812 5.540 -6.793
51 HE22 GLN 7 1HE2 GLN 7 13.236 6.511 -6.965
52 H ASP 8 H ASP 8 7.453 5.815 -5.063
53 HA ASP 8 HA ASP 8 6.748 4.620 -2.638
54 HB2 ASP 8 1HB ASP 8 6.562 3.516 -4.959
55 HB3 ASP 8 2HB ASP 8 8.335 3.423 -4.821
56 H GLU 9 H GLU 9 7.749 4.679 -0.791
57 HA GLU 9 HA GLU 9 10.660 4.809 -0.599
58 HB2 GLU 9 1HB GLU 9 9.121 5.907 0.990
59 HB3 GLU 9 2HB GLU 9 8.569 4.301 1.524
60 HG2 GLU 9 1HG GLU 9 10.868 3.806 2.410
61 HG3 GLU 9 2HG GLU 9 11.366 5.344 1.668
62 H ASN 10 H ASN 10 12.092 3.277 -0.461
63 HA ASN 10 HA ASN 10 11.279 0.469 -0.532
64 HB2 ASN 10 1HB ASN 10 14.171 1.604 -0.335
65 HB3 ASN 10 2HB ASN 10 13.427 -0.014 -0.330
66 HD21 ASN 10 2HD2 ASN 10 15.266 1.410 -2.211
67 HD22 ASN 10 1HD2 ASN 10 14.510 1.262 -3.763
68 HA PRO 11 HA PRO 11 11.232 -0.512 3.647
69 HB2 PRO 11 1HB PRO 11 12.176 -2.863 3.444
70 HB3 PRO 11 2HB PRO 11 10.656 -2.445 3.030
71 HG2 PRO 11 1HG PRO 11 12.650 -2.900 1.414
72 HG3 PRO 11 2HG PRO 11 11.098 -3.349 1.191
73 HD2 PRO 11 1HD PRO 11 12.133 -1.396 0.028
74 HD3 PRO 11 2HD PRO 11 10.587 -1.408 0.548
75 H VAL 12 H VAL 12 14.095 -0.971 1.811
76 HA VAL 12 HA VAL 12 15.926 -1.085 4.082
77 HB VAL 12 HB VAL 12 16.343 -0.300 1.168
78 HG11 VAL 12 1HG1 VAL 12 18.752 -0.566 1.660
79 HG12 VAL 12 2HG1 VAL 12 18.038 0.735 2.641
80 HG13 VAL 12 3HG1 VAL 12 18.370 -0.852 3.374
81 HG21 VAL 12 3HG2 VAL 12 15.676 -2.612 1.445
82 HG22 VAL 12 1HG2 VAL 12 17.386 -2.501 0.968
83 HG23 VAL 12 2HG2 VAL 12 16.955 -2.856 2.658
84 H VAL 13 H VAL 13 14.749 1.557 2.017
85 HA VAL 13 HA VAL 13 16.192 3.640 3.431
86 HB VAL 13 HB VAL 13 13.601 3.705 1.830
87 HG11 VAL 13 1HG1 VAL 13 13.940 6.153 1.773
88 HG12 VAL 13 2HG1 VAL 13 13.717 5.576 3.442
89 HG13 VAL 13 3HG1 VAL 13 15.346 5.984 2.851
90 HG21 VAL 13 3HG2 VAL 13 15.527 3.059 0.509
91 HG22 VAL 13 1HG2 VAL 13 14.986 4.698 0.079
92 HG23 VAL 13 2HG2 VAL 13 16.430 4.476 1.096
93 H HIS 14 H HIS 14 12.996 2.184 3.917
94 HA HIS 14 HA HIS 14 12.192 3.861 6.077
95 HB2 HIS 14 1HB HIS 14 10.650 2.261 4.974
96 HB3 HIS 14 2HB HIS 14 11.592 0.901 5.630
97 HD2 HIS 14 HD2 HIS 14 10.699 0.024 8.161
98 HE1 HIS 14 HE1 HIS 14 8.297 3.443 8.929
99 HE2 HIS 14 HE2 HIS 14 9.048 1.055 9.733
100 H PHE 15 H PHE 15 14.088 0.847 6.086
101 HA PHE 15 HA PHE 15 14.422 0.747 8.942
102 HB2 PHE 15 1HB PHE 15 16.158 -0.360 6.691
103 HB3 PHE 15 2HB PHE 15 16.333 -0.769 8.413
104 HD1 PHE 15 HD1 PHE 15 13.061 -0.535 8.485
105 HD2 PHE 15 HD2 PHE 15 16.010 -2.847 6.432
106 HE1 PHE 15 HE1 PHE 15 11.430 -2.373 8.217
107 HE2 PHE 15 HE2 PHE 15 14.381 -4.686 6.160
108 HZ PHE 15 HZ PHE 15 12.091 -4.449 7.054
109 H PHE 16 H PHE 16 16.409 2.192 6.365
110 HA PHE 16 HA PHE 16 18.492 3.211 8.001
111 HB2 PHE 16 1HB PHE 16 18.630 3.331 5.566
112 HB3 PHE 16 2HB PHE 16 17.207 4.395 5.503
113 HD1 PHE 16 HD1 PHE 16 20.721 4.168 6.652
114 HD2 PHE 16 HD2 PHE 16 17.407 6.699 5.721
115 HE1 PHE 16 HE1 PHE 16 22.196 6.147 6.785
116 HE2 PHE 16 HE2 PHE 16 18.880 8.680 5.851
117 HZ PHE 16 HZ PHE 16 21.276 8.403 6.385
118 H LYS 17 H LYS 17 15.364 4.708 7.159
119 HA LYS 17 HA LYS 17 15.843 7.105 8.686
120 HB2 LYS 17 1HB LYS 17 13.329 5.743 7.719
121 HB3 LYS 17 2HB LYS 17 13.335 7.298 8.586
122 HG2 LYS 17 1HG LYS 17 14.734 8.274 6.794
123 HG3 LYS 17 2HG LYS 17 14.675 6.725 5.920
124 HD2 LYS 17 1HD LYS 17 12.226 6.904 5.759
125 HD3 LYS 17 2HD LYS 17 12.279 8.449 6.640
126 HE2 LYS 17 1HE LYS 17 13.645 9.429 4.851
127 HE3 LYS 17 2HE LYS 17 13.606 7.884 3.970
128 HZ1 LYS 17 3HZ LYS 17 11.258 9.552 4.611
129 HZ2 LYS 17 1HZ LYS 17 11.971 9.429 3.129
130 HZ3 LYS 17 2HZ LYS 17 11.221 8.119 3.795
131 H ASN 18 H ASN 18 14.508 3.951 9.512
132 HA ASN 18 HA ASN 18 13.583 4.611 12.141
133 HB2 ASN 18 1HB ASN 18 14.608 1.854 11.125
134 HB3 ASN 18 2HB ASN 18 14.077 2.487 12.702
135 HD21 ASN 18 2HD2 ASN 18 12.961 0.449 10.831
136 HD22 ASN 18 1HD2 ASN 18 11.315 0.928 10.581
137 H ILE 19 H ILE 19 16.802 3.974 10.873
138 HA ILE 19 HA ILE 19 17.997 3.739 13.552
139 HB ILE 19 HB ILE 19 19.205 4.024 10.764
140 HG12 ILE 19 1HG1 ILE 19 19.185 1.654 12.608
141 HG13 ILE 19 2HG1 ILE 19 17.977 1.937 11.333
142 HG21 ILE 19 1HG2 ILE 19 21.356 3.464 11.845
143 HG22 ILE 19 2HG2 ILE 19 20.698 4.989 12.482
144 HG23 ILE 19 3HG2 ILE 19 20.564 3.494 13.438
145 HD11 ILE 19 3HD1 ILE 19 20.968 1.612 10.908
146 HD12 ILE 19 1HD1 ILE 19 19.729 0.383 10.569
147 HD13 ILE 19 2HD1 ILE 19 19.760 1.896 9.633
148 H VAL 20 H VAL 20 17.726 6.273 11.094
149 HA VAL 20 HA VAL 20 19.552 7.988 12.742
150 HB VAL 20 HB VAL 20 19.708 9.400 10.768
151 HG11 VAL 20 1HG1 VAL 20 20.731 7.816 9.169
152 HG12 VAL 20 2HG1 VAL 20 21.187 7.420 10.843
153 HG13 VAL 20 3HG1 VAL 20 19.943 6.459 10.007
154 HG21 VAL 20 3HG2 VAL 20 17.415 9.232 10.002
155 HG22 VAL 20 1HG2 VAL 20 18.551 8.864 8.684
156 HG23 VAL 20 2HG2 VAL 20 17.685 7.544 9.505
157 H THR 21 H THR 21 16.242 7.528 12.070
158 HA THR 21 HA THR 21 15.683 10.179 13.357
159 HB THR 21 HB THR 21 14.041 8.841 11.165
160 HG1 THR 21 HG1 THR 21 14.709 10.725 9.974
161 HG21 THR 21 1HG2 THR 21 12.697 10.911 11.263
162 HG22 THR 21 2HG2 THR 21 12.675 10.059 12.825
163 HG23 THR 21 3HG2 THR 21 13.698 11.498 12.611
164 HA PRO 22 HA PRO 22 13.790 7.552 16.219
165 HB2 PRO 22 1HB PRO 22 13.105 9.420 17.770
166 HB3 PRO 22 2HB PRO 22 14.639 8.890 17.627
167 HG2 PRO 22 1HG PRO 22 13.648 11.093 16.651
168 HG3 PRO 22 2HG PRO 22 15.122 10.907 17.324
169 HD2 PRO 22 1HD PRO 22 14.909 10.958 14.859
170 HD3 PRO 22 2HD PRO 22 15.958 9.947 15.594
171 H ARG 23 H ARG 23 12.323 10.235 14.704
172 HA ARG 23 HA ARG 23 9.596 9.518 15.489
173 HB2 ARG 23 1HB ARG 23 10.596 11.372 13.375
174 HB3 ARG 23 2HB ARG 23 8.895 11.123 13.832
175 HG2 ARG 23 1HG ARG 23 9.329 11.976 16.064
176 HG3 ARG 23 2HG ARG 23 11.065 12.127 15.698
177 HD2 ARG 23 1HD ARG 23 10.537 13.796 14.006
178 HD3 ARG 23 2HD ARG 23 8.818 13.672 14.447
179 HE ARG 23 HE ARG 23 10.206 14.488 16.827
180 HH11 ARG 23 1HH1 ARG 23 9.703 15.766 13.621
181 HH12 ARG 23 2HH1 ARG 23 9.794 17.399 14.251
182 HH21 ARG 23 1HH2 ARG 23 10.321 16.352 17.562
183 HH22 ARG 23 2HH2 ARG 23 10.148 17.735 16.498
184 H THR 24 H THR 24 8.066 8.430 14.427
185 HA THR 24 HA THR 24 8.883 6.245 12.800
186 HB THR 24 HB THR 24 6.112 7.502 12.976
187 HG1 THR 24 HG1 THR 24 5.836 5.880 14.621
188 HG21 THR 24 1HG2 THR 24 5.335 5.238 12.367
189 HG22 THR 24 2HG2 THR 24 6.382 5.919 11.098
190 HG23 THR 24 3HG2 THR 24 7.024 4.697 12.220
191 HA PRO 25 HA PRO 25 9.525 8.247 8.992
192 HB2 PRO 25 1HB PRO 25 9.712 5.620 8.293
193 HB3 PRO 25 2HB PRO 25 10.757 6.851 8.075
194 HG2 PRO 25 1HG PRO 25 10.558 5.322 10.175
195 HG3 PRO 25 2HG PRO 25 11.938 5.869 9.500
196 HD2 PRO 25 1HD PRO 25 9.317 5.240 11.361
197 HD3 PRO 25 2HD PRO 25 10.656 6.170 11.280
198 HA PRO 26 HA PRO 26 5.709 8.064 7.074
199 HB2 PRO 26 1HB PRO 26 6.383 8.568 4.687
200 HB3 PRO 26 2HB PRO 26 6.379 9.677 5.882
201 HG2 PRO 26 1HG PRO 26 8.461 8.499 4.847
202 HG3 PRO 26 2HG PRO 26 8.351 10.066 5.288
203 HD2 PRO 26 1HD PRO 26 9.511 8.406 6.727
204 HD3 PRO 26 2HD PRO 26 8.601 9.608 7.352
205 HA PRO 27 HA PRO 27 5.143 4.161 5.448
206 HB2 PRO 27 1HB PRO 27 2.918 4.463 4.311
207 HB3 PRO 27 2HB PRO 27 3.100 4.476 5.930
208 HG2 PRO 27 1HG PRO 27 2.696 6.535 4.384
209 HG3 PRO 27 2HG PRO 27 2.043 6.285 5.857
210 HD2 PRO 27 1HD PRO 27 3.979 7.806 5.674
211 HD3 PRO 27 2HD PRO 27 3.843 6.789 6.942
212 H SER 28 H SER 28 5.119 2.815 3.570
213 HA SER 28 HA SER 28 6.540 3.940 1.296
214 HB2 SER 28 1HB SER 28 5.185 1.342 1.687
215 HB3 SER 28 2HB SER 28 6.145 1.828 0.271
216 HG SER 28 HG SER 28 7.921 1.689 1.413
217 H GLN 29 H GLN 29 5.826 4.487 -0.718
218 HA GLN 29 HA GLN 29 2.878 4.947 -0.962
219 HB2 GLN 29 1HB GLN 29 5.137 6.205 -2.526
220 HB3 GLN 29 2HB GLN 29 3.419 6.668 -2.542
221 HG2 GLN 29 1HG GLN 29 5.342 7.220 -0.115
222 HG3 GLN 29 2HG GLN 29 4.650 8.153 -1.463
223 HE21 GLN 29 2HE2 GLN 29 4.194 6.932 1.711
224 HE22 GLN 29 1HE2 GLN 29 2.556 7.448 1.932
225 H GLY 30 H GLY 30 1.914 4.790 -3.074
226 HA2 GLY 30 1HA GLY 30 2.375 2.281 -4.319
227 HA3 GLY 30 2HA GLY 30 1.426 3.620 -5.006
228 H LYS 31 H LYS 31 3.311 1.683 -6.265
229 HA LYS 31 HA LYS 31 5.736 3.059 -6.997
230 HB2 LYS 31 1HB LYS 31 5.361 0.631 -7.225
231 HB3 LYS 31 2HB LYS 31 4.172 0.960 -8.508
232 HG2 LYS 31 1HG LYS 31 5.909 1.926 -9.919
233 HG3 LYS 31 2HG LYS 31 7.112 1.714 -8.624
234 HD2 LYS 31 1HD LYS 31 6.833 -0.716 -8.735
235 HD3 LYS 31 2HD LYS 31 5.583 -0.529 -9.987
236 HE2 LYS 31 1HE LYS 31 7.222 0.491 -11.493
237 HE3 LYS 31 2HE LYS 31 8.476 0.350 -10.239
238 HZ1 LYS 31 3HZ LYS 31 7.065 -1.905 -11.514
239 HZ2 LYS 31 1HZ LYS 31 8.612 -1.436 -11.838
240 HZ3 LYS 31 2HZ LYS 31 8.227 -2.037 -10.351
241 H GLY 32 H GLY 32 6.028 4.785 -8.138
242 HA2 GLY 32 1HA GLY 32 5.877 5.935 -10.245
243 HA3 GLY 32 2HA GLY 32 4.249 5.257 -10.479
244 H ARG 33 H ARG 33 4.234 6.060 -7.340
245 HA ARG 33 HA ARG 33 2.597 8.413 -7.721
246 HB2 ARG 33 1HB ARG 33 3.769 7.228 -5.246
247 HB3 ARG 33 2HB ARG 33 2.654 8.614 -5.301
248 HG2 ARG 33 1HG ARG 33 1.979 5.898 -6.456
249 HG3 ARG 33 2HG ARG 33 1.616 6.354 -4.773
250 HD2 ARG 33 1HD ARG 33 0.256 8.198 -5.592
251 HD3 ARG 33 2HD ARG 33 0.583 7.676 -7.261
252 HE ARG 33 HE ARG 33 -1.333 6.300 -5.426
253 HH11 ARG 33 1HH1 ARG 33 0.389 6.224 -8.457
254 HH12 ARG 33 2HH1 ARG 33 -0.708 4.995 -9.056
255 HH21 ARG 33 1HH2 ARG 33 -2.603 4.900 -6.101
256 HH22 ARG 33 2HH2 ARG 33 -2.415 4.240 -7.714
257 H GLY 34 H GLY 34 6.000 7.906 -7.078
258 HA2 GLY 34 1HA GLY 34 6.622 10.560 -6.208
259 HA3 GLY 34 2HA GLY 34 7.754 9.406 -6.950
260 H LEU 35 H LEU 35 6.343 9.063 -9.415
261 HA LEU 35 HA LEU 35 7.237 11.498 -10.795
262 HB2 LEU 35 1HB LEU 35 5.950 8.982 -11.624
263 HB3 LEU 35 2HB LEU 35 6.475 10.149 -12.860
264 HG LEU 35 HG LEU 35 8.257 8.635 -10.912
265 HD11 LEU 35 1HD1 LEU 35 9.158 7.562 -12.994
266 HD12 LEU 35 2HD1 LEU 35 7.417 7.249 -12.807
267 HD13 LEU 35 3HD1 LEU 35 7.981 8.483 -13.959
268 HD21 LEU 35 3HD2 LEU 35 9.103 10.874 -11.301
269 HD22 LEU 35 1HD2 LEU 35 10.142 9.682 -12.119
270 HD23 LEU 35 2HD2 LEU 35 8.979 10.646 -13.062
271 H SER 36 H SER 36 4.193 10.011 -9.875
272 HA SER 36 HA SER 36 2.355 11.523 -11.475
273 HB2 SER 36 1HB SER 36 1.704 9.631 -10.294
274 HB3 SER 36 2HB SER 36 2.038 10.435 -8.744
275 HG SER 36 HG SER 36 -0.167 10.558 -9.352
Start of MODEL 2
1 H1 SER 1 H SER 1 9.057 12.716 14.289
2 HA SER 1 HA SER 1 9.628 12.000 11.371
3 HB2 SER 1 1HB SER 1 11.571 11.350 12.434
4 HB3 SER 1 2HB SER 1 10.732 10.031 13.280
5 HG SER 1 HG SER 1 11.814 9.338 11.378
6 H GLN 2 H GLN 2 7.778 11.472 10.344
7 HA GLN 2 HA GLN 2 6.114 9.242 11.419
8 HB2 GLN 2 1HB GLN 2 5.601 11.191 9.164
9 HB3 GLN 2 2HB GLN 2 4.460 9.976 9.787
10 HG2 GLN 2 1HG GLN 2 5.318 12.543 11.389
11 HG3 GLN 2 2HG GLN 2 3.905 12.001 10.453
12 HE21 GLN 2 2HE2 GLN 2 5.392 12.120 13.499
13 HE22 GLN 2 1HE2 GLN 2 4.358 11.006 14.333
14 H HIS 3 H HIS 3 5.238 7.661 9.953
15 HA HIS 3 HA HIS 3 7.403 6.353 8.565
16 HB2 HIS 3 1HB HIS 3 5.468 5.176 9.716
17 HB3 HIS 3 2HB HIS 3 4.433 5.705 8.368
18 HD2 HIS 3 HD2 HIS 3 4.381 3.871 6.233
19 HE1 HIS 3 HE1 HIS 3 7.893 1.787 7.405
20 HE2 HIS 3 HE2 HIS 3 5.867 1.921 5.736
21 H GLY 4 H GLY 4 7.938 6.152 6.501
22 HA2 GLY 4 1HA GLY 4 6.942 8.245 4.717
23 HA3 GLY 4 2HA GLY 4 8.254 7.091 4.384
24 H ARG 5 H ARG 5 7.210 7.033 2.234
25 HA ARG 5 HA ARG 5 4.657 5.487 2.159
26 HB2 ARG 5 1HB ARG 5 4.828 7.585 0.909
27 HB3 ARG 5 2HB ARG 5 6.068 6.815 -0.107
28 HG2 ARG 5 1HG ARG 5 4.433 5.099 -0.787
29 HG3 ARG 5 2HG ARG 5 3.193 5.898 0.211
30 HD2 ARG 5 1HD ARG 5 3.442 7.902 -1.183
31 HD3 ARG 5 2HD ARG 5 4.563 6.993 -2.223
32 HE ARG 5 HE ARG 5 1.853 5.772 -2.062
33 HH11 ARG 5 1HH1 ARG 5 3.877 8.044 -3.766
34 HH12 ARG 5 2HH1 ARG 5 2.877 7.871 -5.196
35 HH21 ARG 5 1HH2 ARG 5 0.694 5.570 -3.688
36 HH22 ARG 5 2HH2 ARG 5 1.062 6.462 -5.152
37 H THR 6 H THR 6 4.529 3.449 1.631
38 HA THR 6 HA THR 6 7.042 1.964 1.367
39 HB THR 6 HB THR 6 5.630 -0.036 1.441
40 HG1 THR 6 HG1 THR 6 3.322 0.268 1.557
41 HG21 THR 6 1HG2 THR 6 4.528 0.328 3.622
42 HG22 THR 6 2HG2 THR 6 6.135 1.094 3.581
43 HG23 THR 6 3HG2 THR 6 4.671 2.088 3.400
44 H GLN 7 H GLN 7 4.790 3.342 -0.797
45 HA GLN 7 HA GLN 7 5.383 1.436 -2.972
46 HB2 GLN 7 1HB GLN 7 3.886 4.065 -2.933
47 HB3 GLN 7 2HB GLN 7 4.006 2.959 -4.323
48 HG2 GLN 7 1HG GLN 7 2.347 2.359 -1.727
49 HG3 GLN 7 2HG GLN 7 2.040 2.751 -3.434
50 HE21 GLN 7 2HE2 GLN 7 2.182 0.295 -1.216
51 HE22 GLN 7 1HE2 GLN 7 2.468 -1.043 -2.279
52 H ASP 8 H ASP 8 6.341 4.666 -1.940
53 HA ASP 8 HA ASP 8 7.983 4.973 -4.408
54 HB2 ASP 8 1HB ASP 8 7.250 6.958 -2.175
55 HB3 ASP 8 2HB ASP 8 8.483 7.124 -3.449
56 H GLU 9 H GLU 9 8.269 4.416 -0.962
57 HA GLU 9 HA GLU 9 11.253 4.607 -1.227
58 HB2 GLU 9 1HB GLU 9 9.573 4.714 1.279
59 HB3 GLU 9 2HB GLU 9 11.326 4.992 1.134
60 HG2 GLU 9 1HG GLU 9 10.934 7.136 -0.043
61 HG3 GLU 9 2HG GLU 9 9.232 6.642 -0.206
62 H ASN 10 H ASN 10 12.514 2.943 -0.837
63 HA ASN 10 HA ASN 10 11.376 0.289 -0.606
64 HB2 ASN 10 1HB ASN 10 14.373 1.088 -0.334
65 HB3 ASN 10 2HB ASN 10 13.438 -0.424 -0.211
66 HD21 ASN 10 2HD2 ASN 10 15.531 0.522 -2.103
67 HD22 ASN 10 1HD2 ASN 10 14.841 0.310 -3.679
68 HA PRO 11 HA PRO 11 11.066 -0.311 3.656
69 HB2 PRO 11 1HB PRO 11 11.757 -2.751 3.686
70 HB3 PRO 11 2HB PRO 11 10.305 -2.220 3.171
71 HG2 PRO 11 1HG PRO 11 12.294 -3.019 1.690
72 HG3 PRO 11 2HG PRO 11 10.712 -3.327 1.439
73 HD2 PRO 11 1HD PRO 11 11.948 -1.588 0.151
74 HD3 PRO 11 2HD PRO 11 10.397 -1.398 0.623
75 H VAL 12 H VAL 12 13.908 -1.113 1.933
76 HA VAL 12 HA VAL 12 15.691 -1.207 4.243
77 HB VAL 12 HB VAL 12 16.202 -0.599 1.302
78 HG11 VAL 12 1HG1 VAL 12 18.582 -0.973 1.856
79 HG12 VAL 12 2HG1 VAL 12 17.926 0.415 2.756
80 HG13 VAL 12 3HG1 VAL 12 18.156 -1.149 3.574
81 HG21 VAL 12 3HG2 VAL 12 15.400 -2.854 1.681
82 HG22 VAL 12 1HG2 VAL 12 17.122 -2.861 1.235
83 HG23 VAL 12 2HG2 VAL 12 16.642 -3.106 2.932
84 H VAL 13 H VAL 13 14.634 1.382 2.061
85 HA VAL 13 HA VAL 13 16.192 3.471 3.319
86 HB VAL 13 HB VAL 13 13.526 3.552 1.846
87 HG11 VAL 13 1HG1 VAL 13 13.931 5.984 1.669
88 HG12 VAL 13 2HG1 VAL 13 13.773 5.484 3.369
89 HG13 VAL 13 3HG1 VAL 13 15.382 5.818 2.685
90 HG21 VAL 13 3HG2 VAL 13 15.367 2.794 0.465
91 HG22 VAL 13 1HG2 VAL 13 14.852 4.430 -0.010
92 HG23 VAL 13 2HG2 VAL 13 16.337 4.206 0.948
93 H HIS 14 H HIS 14 12.935 2.222 3.994
94 HA HIS 14 HA HIS 14 12.409 4.029 6.162
95 HB2 HIS 14 1HB HIS 14 11.365 1.242 5.510
96 HB3 HIS 14 2HB HIS 14 10.785 2.204 6.891
97 HD2 HIS 14 HD2 HIS 14 10.889 5.027 4.566
98 HE1 HIS 14 HE1 HIS 14 7.474 2.820 3.335
99 HE2 HIS 14 HE2 HIS 14 8.778 5.100 3.225
100 H PHE 15 H PHE 15 13.969 0.841 6.055
101 HA PHE 15 HA PHE 15 14.427 0.570 8.860
102 HB2 PHE 15 1HB PHE 15 14.830 -1.285 7.302
103 HB3 PHE 15 2HB PHE 15 16.121 -0.362 6.500
104 HD1 PHE 15 HD1 PHE 15 15.146 -1.743 9.821
105 HD2 PHE 15 HD2 PHE 15 18.294 -0.620 7.159
106 HE1 PHE 15 HE1 PHE 15 16.805 -2.711 11.377
107 HE2 PHE 15 HE2 PHE 15 19.955 -1.589 8.713
108 HZ PHE 15 HZ PHE 15 19.210 -2.633 10.823
109 H PHE 16 H PHE 16 16.366 2.184 6.346
110 HA PHE 16 HA PHE 16 18.483 2.993 8.122
111 HB2 PHE 16 1HB PHE 16 17.493 4.095 5.461
112 HB3 PHE 16 2HB PHE 16 18.924 4.721 6.311
113 HD1 PHE 16 HD1 PHE 16 19.326 1.612 7.281
114 HD2 PHE 16 HD2 PHE 16 19.130 3.763 3.595
115 HE1 PHE 16 HE1 PHE 16 20.726 -0.116 6.200
116 HE2 PHE 16 HE2 PHE 16 20.527 2.036 2.510
117 HZ PHE 16 HZ PHE 16 21.327 0.097 3.815
118 H LYS 17 H LYS 17 15.398 4.477 7.231
119 HA LYS 17 HA LYS 17 15.916 6.952 8.664
120 HB2 LYS 17 1HB LYS 17 13.425 5.596 7.645
121 HB3 LYS 17 2HB LYS 17 13.391 7.133 8.540
122 HG2 LYS 17 1HG LYS 17 14.859 8.137 6.800
123 HG3 LYS 17 2HG LYS 17 14.772 6.613 5.886
124 HD2 LYS 17 1HD LYS 17 12.407 6.853 5.556
125 HD3 LYS 17 2HD LYS 17 12.332 8.226 6.686
126 HE2 LYS 17 1HE LYS 17 13.804 9.517 5.155
127 HE3 LYS 17 2HE LYS 17 13.753 8.160 4.007
128 HZ1 LYS 17 3HZ LYS 17 11.423 9.720 4.919
129 HZ2 LYS 17 1HZ LYS 17 12.153 9.859 3.446
130 HZ3 LYS 17 2HZ LYS 17 11.375 8.462 3.854
131 H ASN 18 H ASN 18 14.690 3.797 9.551
132 HA ASN 18 HA ASN 18 13.717 4.659 12.170
133 HB2 ASN 18 1HB ASN 18 14.247 1.759 11.174
134 HB3 ASN 18 2HB ASN 18 13.798 2.500 12.729
135 HD21 ASN 18 2HD2 ASN 18 12.409 0.678 10.774
136 HD22 ASN 18 1HD2 ASN 18 10.871 1.429 10.502
137 H ILE 19 H ILE 19 16.791 4.260 10.846
138 HA ILE 19 HA ILE 19 18.051 3.676 13.483
139 HB ILE 19 HB ILE 19 19.209 4.169 10.703
140 HG12 ILE 19 1HG1 ILE 19 19.231 1.675 12.378
141 HG13 ILE 19 2HG1 ILE 19 18.023 2.030 11.122
142 HG21 ILE 19 1HG2 ILE 19 21.384 3.566 11.713
143 HG22 ILE 19 2HG2 ILE 19 20.713 5.032 12.464
144 HG23 ILE 19 3HG2 ILE 19 20.613 3.472 13.315
145 HD11 ILE 19 3HD1 ILE 19 21.019 1.773 10.685
146 HD12 ILE 19 1HD1 ILE 19 19.796 0.554 10.259
147 HD13 ILE 19 2HD1 ILE 19 19.811 2.129 9.429
148 H VAL 20 H VAL 20 17.763 6.337 11.161
149 HA VAL 20 HA VAL 20 19.487 8.039 12.897
150 HB VAL 20 HB VAL 20 19.256 9.700 11.100
151 HG11 VAL 20 1HG1 VAL 20 20.372 8.449 9.283
152 HG12 VAL 20 2HG1 VAL 20 21.009 7.970 10.874
153 HG13 VAL 20 3HG1 VAL 20 19.857 6.914 10.023
154 HG21 VAL 20 3HG2 VAL 20 16.960 9.257 10.466
155 HG22 VAL 20 1HG2 VAL 20 18.032 9.193 9.048
156 HG23 VAL 20 2HG2 VAL 20 17.432 7.685 9.779
157 H THR 21 H THR 21 16.125 7.495 12.259
158 HA THR 21 HA THR 21 15.600 9.538 14.388
159 HB THR 21 HB THR 21 13.399 9.983 13.377
160 HG1 THR 21 HG1 THR 21 14.336 8.314 11.251
161 HG21 THR 21 1HG2 THR 21 14.153 11.239 11.389
162 HG22 THR 21 2HG2 THR 21 15.300 11.426 12.737
163 HG23 THR 21 3HG2 THR 21 15.680 10.327 11.391
164 HA PRO 22 HA PRO 22 13.529 6.651 16.759
165 HB2 PRO 22 1HB PRO 22 11.373 8.325 16.596
166 HB3 PRO 22 2HB PRO 22 12.141 7.711 17.895
167 HG2 PRO 22 1HG PRO 22 12.796 9.848 16.555
168 HG3 PRO 22 2HG PRO 22 12.855 9.662 18.174
169 HD2 PRO 22 1HD PRO 22 13.266 9.961 14.842
170 HD3 PRO 22 2HD PRO 22 14.076 9.857 16.255
171 H ARG 23 H ARG 23 12.224 4.834 16.685
172 HA ARG 23 HA ARG 23 11.665 3.809 14.153
173 HB2 ARG 23 1HB ARG 23 10.340 3.177 16.749
174 HB3 ARG 23 2HB ARG 23 10.074 2.288 15.231
175 HG2 ARG 23 1HG ARG 23 12.486 1.744 15.153
176 HG3 ARG 23 2HG ARG 23 12.708 2.583 16.707
177 HD2 ARG 23 1HD ARG 23 11.227 0.985 17.769
178 HD3 ARG 23 2HD ARG 23 11.036 0.139 16.215
179 HE ARG 23 HE ARG 23 13.839 0.051 16.842
180 HH11 ARG 23 1HH1 ARG 23 10.881 -1.095 18.292
181 HH12 ARG 23 2HH1 ARG 23 11.741 -2.457 18.981
182 HH21 ARG 23 1HH2 ARG 23 14.838 -1.499 17.632
183 HH22 ARG 23 2HH2 ARG 23 13.998 -2.688 18.608
184 H THR 24 H THR 24 10.270 4.100 12.608
185 HA THR 24 HA THR 24 8.022 5.971 13.008
186 HB THR 24 HB THR 24 7.628 5.664 10.596
187 HG1 THR 24 HG1 THR 24 9.858 3.880 10.639
188 HG21 THR 24 1HG2 THR 24 9.775 6.555 9.758
189 HG22 THR 24 2HG2 THR 24 9.335 7.303 11.312
190 HG23 THR 24 3HG2 THR 24 10.577 6.030 11.258
191 HA PRO 25 HA PRO 25 4.938 3.107 13.630
192 HB2 PRO 25 1HB PRO 25 3.007 4.305 12.550
193 HB3 PRO 25 2HB PRO 25 3.735 4.835 13.908
194 HG2 PRO 25 1HG PRO 25 3.992 5.819 11.509
195 HG3 PRO 25 2HG PRO 25 3.890 6.666 12.900
196 HD2 PRO 25 1HD PRO 25 6.123 6.319 11.906
197 HD3 PRO 25 2HD PRO 25 5.919 6.246 13.523
198 HA PRO 26 HA PRO 26 4.108 0.455 10.331
199 HB2 PRO 26 1HB PRO 26 1.508 0.463 11.141
200 HB3 PRO 26 2HB PRO 26 2.564 -0.768 10.982
201 HG2 PRO 26 1HG PRO 26 2.243 0.757 13.070
202 HG3 PRO 26 2HG PRO 26 2.512 -0.851 13.075
203 HD2 PRO 26 1HD PRO 26 2.670 2.394 13.310
204 HD3 PRO 26 2HD PRO 26 3.552 1.038 13.522
205 HA PRO 27 HA PRO 27 2.650 2.611 6.892
206 HB2 PRO 27 1HB PRO 27 1.472 0.236 6.231
207 HB3 PRO 27 2HB PRO 27 2.481 1.191 5.378
208 HG2 PRO 27 1HG PRO 27 3.148 -0.640 7.108
209 HG3 PRO 27 2HG PRO 27 3.896 -0.320 5.694
210 HD2 PRO 27 1HD PRO 27 2.812 -0.690 8.836
211 HD3 PRO 27 2HD PRO 27 4.072 -0.164 7.945
212 H SER 28 H SER 28 0.911 3.826 6.240
213 HA SER 28 HA SER 28 -1.492 3.568 8.020
214 HB2 SER 28 1HB SER 28 -0.561 5.745 6.248
215 HB3 SER 28 2HB SER 28 -2.065 5.716 7.198
216 HG SER 28 HG SER 28 -0.343 6.755 8.293
217 H GLN 29 H GLN 29 -3.367 2.784 7.303
218 HA GLN 29 HA GLN 29 -3.607 1.801 4.564
219 HB2 GLN 29 1HB GLN 29 -4.556 0.625 6.508
220 HB3 GLN 29 2HB GLN 29 -5.637 2.009 6.799
221 HG2 GLN 29 1HG GLN 29 -6.780 1.420 4.428
222 HG3 GLN 29 2HG GLN 29 -5.426 0.267 4.501
223 HE21 GLN 29 2HE2 GLN 29 -8.066 -0.534 4.063
224 HE22 GLN 29 1HE2 GLN 29 -8.616 -1.438 5.435
225 H GLY 30 H GLY 30 -4.230 2.842 2.860
226 HA2 GLY 30 1HA GLY 30 -5.693 4.116 1.549
227 HA3 GLY 30 2HA GLY 30 -6.519 4.665 3.025
228 H LYS 31 H LYS 31 -3.058 4.880 2.884
229 HA LYS 31 HA LYS 31 -3.273 7.837 2.408
230 HB2 LYS 31 1HB LYS 31 -1.432 6.321 4.264
231 HB3 LYS 31 2HB LYS 31 -1.339 8.063 3.913
232 HG2 LYS 31 1HG LYS 31 -3.705 6.662 5.205
233 HG3 LYS 31 2HG LYS 31 -2.447 7.561 6.085
234 HD2 LYS 31 1HD LYS 31 -3.041 9.610 4.880
235 HD3 LYS 31 2HD LYS 31 -4.271 8.719 3.951
236 HE2 LYS 31 1HE LYS 31 -5.519 8.249 5.984
237 HE3 LYS 31 2HE LYS 31 -4.257 9.026 6.969
238 HZ1 LYS 31 3HZ LYS 31 -5.939 10.380 4.958
239 HZ2 LYS 31 1HZ LYS 31 -6.122 10.492 6.593
240 HZ3 LYS 31 2HZ LYS 31 -4.769 11.100 5.871
241 H GLY 32 H GLY 32 -2.635 5.399 0.664
242 HA2 GLY 32 1HA GLY 32 -1.490 5.616 -1.414
243 HA3 GLY 32 2HA GLY 32 -0.376 6.785 -0.668
244 H ARG 33 H ARG 33 -0.669 4.407 1.559
245 HA ARG 33 HA ARG 33 1.968 3.303 0.877
246 HB2 ARG 33 1HB ARG 33 0.174 3.139 3.219
247 HB3 ARG 33 2HB ARG 33 1.457 1.930 2.979
248 HG2 ARG 33 1HG ARG 33 2.274 3.683 4.433
249 HG3 ARG 33 2HG ARG 33 3.122 3.765 2.870
250 HD2 ARG 33 1HD ARG 33 1.768 5.616 2.196
251 HD3 ARG 33 2HD ARG 33 0.819 5.503 3.696
252 HE ARG 33 HE ARG 33 3.574 6.063 4.415
253 HH11 ARG 33 1HH1 ARG 33 0.907 7.635 2.809
254 HH12 ARG 33 2HH1 ARG 33 1.498 9.196 3.344
255 HH21 ARG 33 1HH2 ARG 33 4.268 7.844 5.028
256 HH22 ARG 33 2HH2 ARG 33 3.415 9.317 4.609
257 H GLY 34 H GLY 34 -1.367 2.319 0.631
258 HA2 GLY 34 1HA GLY 34 -2.156 0.639 -0.807
259 HA3 GLY 34 2HA GLY 34 -0.492 0.045 -1.014
260 H LEU 35 H LEU 35 -1.427 0.613 2.233
261 HA LEU 35 HA LEU 35 -1.154 -2.177 2.939
262 HB2 LEU 35 1HB LEU 35 -0.542 -0.407 4.314
263 HB3 LEU 35 2HB LEU 35 -2.189 0.219 4.555
264 HG LEU 35 HG LEU 35 -2.769 -2.044 5.560
265 HD11 LEU 35 1HD1 LEU 35 -0.836 -3.378 6.444
266 HD12 LEU 35 2HD1 LEU 35 -0.802 -3.289 4.668
267 HD13 LEU 35 3HD1 LEU 35 0.286 -2.261 5.632
268 HD21 LEU 35 3HD2 LEU 35 -2.460 -0.066 6.929
269 HD22 LEU 35 1HD2 LEU 35 -1.801 -1.492 7.765
270 HD23 LEU 35 2HD2 LEU 35 -0.702 -0.336 6.974
271 H SER 36 H SER 36 -2.513 -3.755 2.788
272 HA SER 36 HA SER 36 -5.306 -3.395 1.975
273 HB2 SER 36 1HB SER 36 -4.084 -5.181 1.159
274 HB3 SER 36 2HB SER 36 -3.788 -5.794 2.802
275 HG SER 36 HG SER 36 -5.557 -6.824 1.775
Start of MODEL 3
1 H1 SER 1 H SER 1 1.510 3.954 12.248
2 HA SER 1 HA SER 1 2.753 6.518 11.136
3 HB2 SER 1 1HB SER 1 3.464 4.113 9.573
4 HB3 SER 1 2HB SER 1 3.985 5.781 9.245
5 HG SER 1 HG SER 1 5.534 4.784 10.493
6 H GLN 2 H GLN 2 1.980 7.874 9.598
7 HA GLN 2 HA GLN 2 -0.602 7.339 8.414
8 HB2 GLN 2 1HB GLN 2 0.226 9.579 9.061
9 HB3 GLN 2 2HB GLN 2 1.437 9.478 7.761
10 HG2 GLN 2 1HG GLN 2 -0.667 9.417 6.050
11 HG3 GLN 2 2HG GLN 2 -1.451 9.443 7.647
12 HE21 GLN 2 2HE2 GLN 2 -2.056 11.315 5.685
13 HE22 GLN 2 1HE2 GLN 2 -1.472 12.870 6.179
14 H HIS 3 H HIS 3 -0.971 5.974 6.864
15 HA HIS 3 HA HIS 3 1.070 5.230 4.919
16 HB2 HIS 3 1HB HIS 3 -0.837 3.729 5.793
17 HB3 HIS 3 2HB HIS 3 -1.906 4.652 4.709
18 HD2 HIS 3 HD2 HIS 3 0.306 1.492 4.536
19 HE1 HIS 3 HE1 HIS 3 -0.305 2.889 0.571
20 HE2 HIS 3 HE2 HIS 3 0.526 0.926 2.110
21 H GLY 4 H GLY 4 1.606 6.153 3.117
22 HA2 GLY 4 1HA GLY 4 -0.066 8.404 2.148
23 HA3 GLY 4 2HA GLY 4 1.622 8.067 1.699
24 H ARG 5 H ARG 5 1.108 8.291 -0.517
25 HA ARG 5 HA ARG 5 -0.813 6.396 -1.722
26 HB2 ARG 5 1HB ARG 5 0.967 8.455 -2.946
27 HB3 ARG 5 2HB ARG 5 -0.131 7.375 -3.834
28 HG2 ARG 5 1HG ARG 5 -2.049 8.340 -2.631
29 HG3 ARG 5 2HG ARG 5 -0.946 9.430 -1.756
30 HD2 ARG 5 1HD ARG 5 -0.313 10.446 -3.879
31 HD3 ARG 5 2HD ARG 5 -1.484 9.395 -4.708
32 HE ARG 5 HE ARG 5 -2.962 10.965 -2.787
33 HH11 ARG 5 1HH1 ARG 5 -1.075 11.522 -5.666
34 HH12 ARG 5 2HH1 ARG 5 -2.055 12.925 -6.045
35 HH21 ARG 5 1HH2 ARG 5 -4.088 12.575 -3.202
36 HH22 ARG 5 2HH2 ARG 5 -3.772 13.527 -4.640
37 H THR 6 H THR 6 -0.375 4.726 -3.066
38 HA THR 6 HA THR 6 2.236 3.433 -2.557
39 HB THR 6 HB THR 6 1.237 1.480 -3.678
40 HG1 THR 6 HG1 THR 6 -0.974 1.663 -4.378
41 HG21 THR 6 1HG2 THR 6 -0.605 1.050 -2.089
42 HG22 THR 6 2HG2 THR 6 0.777 1.824 -1.275
43 HG23 THR 6 3HG2 THR 6 -0.664 2.782 -1.689
44 H GLN 7 H GLN 7 3.674 3.293 -5.747
45 HA GLN 7 HA GLN 7 3.129 1.953 -3.176
46 HB2 GLN 7 1HB GLN 7 5.450 1.841 -5.112
47 HB3 GLN 7 2HB GLN 7 5.330 0.881 -3.620
48 HG2 GLN 7 1HG GLN 7 3.353 0.490 -6.038
49 HG3 GLN 7 2HG GLN 7 4.880 -0.263 -5.521
50 HE21 GLN 7 2HE2 GLN 7 1.568 -0.502 -5.418
51 HE22 GLN 7 1HE2 GLN 7 1.395 -1.500 -4.014
52 H ASP 8 H ASP 8 4.284 2.099 -1.316
53 HA ASP 8 HA ASP 8 5.459 4.723 -0.781
54 HB2 ASP 8 1HB ASP 8 5.143 2.219 0.980
55 HB3 ASP 8 2HB ASP 8 5.967 3.753 1.357
56 H GLU 9 H GLU 9 7.523 4.780 0.568
57 HA GLU 9 HA GLU 9 9.676 4.062 -1.196
58 HB2 GLU 9 1HB GLU 9 9.597 4.969 1.681
59 HB3 GLU 9 2HB GLU 9 11.105 4.698 0.773
60 HG2 GLU 9 1HG GLU 9 10.415 6.515 -0.854
61 HG3 GLU 9 2HG GLU 9 8.909 6.608 0.087
62 H ASN 10 H ASN 10 11.561 2.792 -0.666
63 HA ASN 10 HA ASN 10 10.754 0.065 -0.211
64 HB2 ASN 10 1HB ASN 10 13.673 1.132 -0.392
65 HB3 ASN 10 2HB ASN 10 12.898 -0.455 -0.163
66 HD21 ASN 10 2HD2 ASN 10 14.592 0.698 -2.327
67 HD22 ASN 10 1HD2 ASN 10 13.693 0.436 -3.785
68 HA PRO 11 HA PRO 11 11.063 -0.455 4.042
69 HB2 PRO 11 1HB PRO 11 11.905 -2.854 4.002
70 HB3 PRO 11 2HB PRO 11 10.365 -2.416 3.698
71 HG2 PRO 11 1HG PRO 11 12.165 -3.121 1.951
72 HG3 PRO 11 2HG PRO 11 10.584 -3.522 1.932
73 HD2 PRO 11 1HD PRO 11 11.570 -1.752 0.470
74 HD3 PRO 11 2HD PRO 11 10.084 -1.642 1.133
75 H VAL 12 H VAL 12 13.705 -1.126 1.981
76 HA VAL 12 HA VAL 12 15.761 -1.130 4.058
77 HB VAL 12 HB VAL 12 15.887 -0.554 1.069
78 HG11 VAL 12 1HG1 VAL 12 18.329 -0.842 1.331
79 HG12 VAL 12 2HG1 VAL 12 17.740 0.539 2.287
80 HG13 VAL 12 3HG1 VAL 12 18.122 -1.003 3.090
81 HG21 VAL 12 3HG2 VAL 12 15.215 -2.827 1.572
82 HG22 VAL 12 1HG2 VAL 12 16.870 -2.787 0.917
83 HG23 VAL 12 2HG2 VAL 12 16.609 -3.018 2.662
84 H VAL 13 H VAL 13 14.356 1.387 1.990
85 HA VAL 13 HA VAL 13 15.992 3.541 3.018
86 HB VAL 13 HB VAL 13 13.170 3.521 1.870
87 HG11 VAL 13 1HG1 VAL 13 13.479 5.959 1.607
88 HG12 VAL 13 2HG1 VAL 13 13.538 5.489 3.322
89 HG13 VAL 13 3HG1 VAL 13 15.044 5.853 2.447
90 HG21 VAL 13 3HG2 VAL 13 14.856 2.786 0.293
91 HG22 VAL 13 1HG2 VAL 13 14.240 4.397 -0.143
92 HG23 VAL 13 2HG2 VAL 13 15.833 4.233 0.634
93 H HIS 14 H HIS 14 12.964 2.104 4.154
94 HA HIS 14 HA HIS 14 12.648 4.074 6.277
95 HB2 HIS 14 1HB HIS 14 11.371 1.347 5.792
96 HB3 HIS 14 2HB HIS 14 10.927 2.435 7.129
97 HD2 HIS 14 HD2 HIS 14 9.656 1.688 3.608
98 HE1 HIS 14 HE1 HIS 14 8.647 5.724 4.476
99 HE2 HIS 14 HE2 HIS 14 8.278 3.652 2.899
100 H PHE 15 H PHE 15 14.230 0.952 5.971
101 HA PHE 15 HA PHE 15 14.823 0.527 8.736
102 HB2 PHE 15 1HB PHE 15 15.272 -1.200 7.054
103 HB3 PHE 15 2HB PHE 15 16.453 -0.144 6.246
104 HD1 PHE 15 HD1 PHE 15 15.750 -1.905 9.441
105 HD2 PHE 15 HD2 PHE 15 18.674 -0.165 6.858
106 HE1 PHE 15 HE1 PHE 15 17.551 -2.845 10.850
107 HE2 PHE 15 HE2 PHE 15 20.478 -1.105 8.263
108 HZ PHE 15 HZ PHE 15 19.915 -2.444 10.261
109 H PHE 16 H PHE 16 16.741 2.232 6.241
110 HA PHE 16 HA PHE 16 18.722 3.286 7.980
111 HB2 PHE 16 1HB PHE 16 18.930 3.487 5.552
112 HB3 PHE 16 2HB PHE 16 17.470 4.500 5.479
113 HD1 PHE 16 HD1 PHE 16 20.958 4.364 6.710
114 HD2 PHE 16 HD2 PHE 16 17.570 6.801 5.799
115 HE1 PHE 16 HE1 PHE 16 22.352 6.390 6.956
116 HE2 PHE 16 HE2 PHE 16 18.961 8.830 6.043
117 HZ PHE 16 HZ PHE 16 21.353 8.624 6.623
118 H LYS 17 H LYS 17 15.564 4.677 7.070
119 HA LYS 17 HA LYS 17 15.922 7.069 8.637
120 HB2 LYS 17 1HB LYS 17 13.497 5.652 7.541
121 HB3 LYS 17 2HB LYS 17 13.404 7.177 8.454
122 HG2 LYS 17 1HG LYS 17 14.826 8.269 6.759
123 HG3 LYS 17 2HG LYS 17 14.890 6.748 5.840
124 HD2 LYS 17 1HD LYS 17 12.511 6.812 5.443
125 HD3 LYS 17 2HD LYS 17 12.324 8.212 6.524
126 HE2 LYS 17 1HE LYS 17 13.682 9.580 5.017
127 HE3 LYS 17 2HE LYS 17 13.919 8.181 3.944
128 HZ1 LYS 17 3HZ LYS 17 11.329 9.456 4.551
129 HZ2 LYS 17 1HZ LYS 17 12.177 9.628 3.146
130 HZ3 LYS 17 2HZ LYS 17 11.549 8.158 3.556
131 H ASN 18 H ASN 18 14.741 3.856 9.400
132 HA ASN 18 HA ASN 18 13.584 4.527 11.958
133 HB2 ASN 18 1HB ASN 18 13.328 2.152 10.647
134 HB3 ASN 18 2HB ASN 18 14.994 2.152 11.274
135 HD21 ASN 18 2HD2 ASN 18 15.086 0.752 12.849
136 HD22 ASN 18 1HD2 ASN 18 13.984 0.636 14.180
137 H ILE 19 H ILE 19 16.864 3.974 10.875
138 HA ILE 19 HA ILE 19 17.918 3.719 13.618
139 HB ILE 19 HB ILE 19 19.269 4.077 10.905
140 HG12 ILE 19 1HG1 ILE 19 19.207 1.685 12.720
141 HG13 ILE 19 2HG1 ILE 19 18.084 1.945 11.365
142 HG21 ILE 19 1HG2 ILE 19 21.372 3.573 12.098
143 HG22 ILE 19 2HG2 ILE 19 20.630 5.067 12.715
144 HG23 ILE 19 3HG2 ILE 19 20.492 3.558 13.645
145 HD11 ILE 19 3HD1 ILE 19 21.107 1.718 11.151
146 HD12 ILE 19 1HD1 ILE 19 19.935 0.455 10.713
147 HD13 ILE 19 2HD1 ILE 19 19.984 1.979 9.797
148 H VAL 20 H VAL 20 17.732 6.260 11.157
149 HA VAL 20 HA VAL 20 19.356 8.047 12.921
150 HB VAL 20 HB VAL 20 19.418 9.548 11.003
151 HG11 VAL 20 1HG1 VAL 20 20.592 8.113 9.369
152 HG12 VAL 20 2HG1 VAL 20 21.054 7.696 11.036
153 HG13 VAL 20 3HG1 VAL 20 19.906 6.666 10.147
154 HG21 VAL 20 3HG2 VAL 20 17.159 9.221 10.191
155 HG22 VAL 20 1HG2 VAL 20 18.341 8.994 8.882
156 HG23 VAL 20 2HG2 VAL 20 17.573 7.580 9.642
157 H THR 21 H THR 21 16.094 7.378 12.203
158 HA THR 21 HA THR 21 15.348 9.905 13.637
159 HB THR 21 HB THR 21 13.779 8.554 11.401
160 HG1 THR 21 HG1 THR 21 14.279 10.541 10.298
161 HG21 THR 21 1HG2 THR 21 12.282 10.506 11.621
162 HG22 THR 21 2HG2 THR 21 12.353 9.578 13.139
163 HG23 THR 21 3HG2 THR 21 13.259 11.102 12.984
164 HA PRO 22 HA PRO 22 13.770 7.062 16.431
165 HB2 PRO 22 1HB PRO 22 12.730 8.803 17.948
166 HB3 PRO 22 2HB PRO 22 14.332 8.516 17.858
167 HG2 PRO 22 1HG PRO 22 13.043 10.531 16.824
168 HG3 PRO 22 2HG PRO 22 14.505 10.581 17.545
169 HD2 PRO 22 1HD PRO 22 14.278 10.609 15.069
170 HD3 PRO 22 2HD PRO 22 15.481 9.805 15.823
171 H ARG 23 H ARG 23 11.858 9.449 14.908
172 HA ARG 23 HA ARG 23 9.286 8.326 15.666
173 HB2 ARG 23 1HB ARG 23 10.038 10.170 13.443
174 HB3 ARG 23 2HB ARG 23 8.383 9.667 13.861
175 HG2 ARG 23 1HG ARG 23 8.590 10.710 16.054
176 HG3 ARG 23 2HG ARG 23 10.279 11.153 15.706
177 HD2 ARG 23 1HD ARG 23 9.505 12.588 13.901
178 HD3 ARG 23 2HD ARG 23 7.824 12.174 14.313
179 HE ARG 23 HE ARG 23 9.014 13.392 16.651
180 HH11 ARG 23 1HH1 ARG 23 8.162 14.310 13.396
181 HH12 ARG 23 2HH1 ARG 23 7.880 15.955 13.929
182 HH21 ARG 23 1HH2 ARG 23 8.703 15.273 17.274
183 HH22 ARG 23 2HH2 ARG 23 8.188 16.507 16.140
184 H THR 24 H THR 24 8.045 6.838 14.775
185 HA THR 24 HA THR 24 9.276 4.793 13.203
186 HB THR 24 HB THR 24 6.300 5.346 13.553
187 HG1 THR 24 HG1 THR 24 6.548 3.837 15.306
188 HG21 THR 24 1HG2 THR 24 6.077 2.920 13.143
189 HG22 THR 24 2HG2 THR 24 6.833 3.738 11.754
190 HG23 THR 24 3HG2 THR 24 7.834 2.802 12.888
191 HA PRO 25 HA PRO 25 9.165 6.633 9.282
192 HB2 PRO 25 1HB PRO 25 9.779 4.048 8.664
193 HB3 PRO 25 2HB PRO 25 10.541 5.437 8.285
194 HG2 PRO 25 1HG PRO 25 10.839 4.033 10.459
195 HG3 PRO 25 2HG PRO 25 12.018 4.786 9.622
196 HD2 PRO 25 1HD PRO 25 9.708 3.746 11.746
197 HD3 PRO 25 2HD PRO 25 10.841 4.898 11.519
198 HA PRO 26 HA PRO 26 5.287 5.757 7.622
199 HB2 PRO 26 1HB PRO 26 6.559 6.016 5.224
200 HB3 PRO 26 2HB PRO 26 5.257 6.793 5.822
201 HG2 PRO 26 1HG PRO 26 7.760 7.424 6.187
202 HG3 PRO 26 2HG PRO 26 6.524 8.459 5.938
203 HD2 PRO 26 1HD PRO 26 8.990 6.569 7.062
204 HD3 PRO 26 2HD PRO 26 7.925 7.721 7.513
205 HA PRO 27 HA PRO 27 4.969 1.598 6.615
206 HB2 PRO 27 1HB PRO 27 3.223 2.399 4.674
207 HB3 PRO 27 2HB PRO 27 3.036 1.332 5.892
208 HG2 PRO 27 1HG PRO 27 2.697 3.914 6.007
209 HG3 PRO 27 2HG PRO 27 1.775 2.780 6.732
210 HD2 PRO 27 1HD PRO 27 3.885 5.186 5.810
211 HD3 PRO 27 2HD PRO 27 3.303 4.392 7.110
212 H SER 28 H SER 28 5.768 -0.001 5.243
213 HA SER 28 HA SER 28 7.815 1.064 3.386
214 HB2 SER 28 1HB SER 28 8.642 -1.057 3.275
215 HB3 SER 28 2HB SER 28 8.300 -0.645 4.971
216 HG SER 28 HG SER 28 7.626 -2.762 4.418
217 H GLN 29 H GLN 29 8.082 0.190 1.236
218 HA GLN 29 HA GLN 29 5.917 0.349 -0.524
219 HB2 GLN 29 1HB GLN 29 8.352 0.220 -1.098
220 HB3 GLN 29 2HB GLN 29 8.271 -1.531 -0.793
221 HG2 GLN 29 1HG GLN 29 6.476 -1.609 -2.835
222 HG3 GLN 29 2HG GLN 29 6.871 0.121 -2.705
223 HE21 GLN 29 2HE2 GLN 29 8.236 0.804 -4.208
224 HE22 GLN 29 1HE2 GLN 29 9.503 -0.126 -4.936
225 H GLY 30 H GLY 30 4.195 -0.760 -0.973
226 HA2 GLY 30 1HA GLY 30 3.415 -3.048 0.520
227 HA3 GLY 30 2HA GLY 30 2.643 -2.472 -0.976
228 H LYS 31 H LYS 31 4.652 -2.750 -2.824
229 HA LYS 31 HA LYS 31 4.643 -5.571 -3.389
230 HB2 LYS 31 1HB LYS 31 6.242 -3.261 -4.490
231 HB3 LYS 31 2HB LYS 31 6.360 -4.926 -5.108
232 HG2 LYS 31 1HG LYS 31 3.977 -4.880 -5.710
233 HG3 LYS 31 2HG LYS 31 3.846 -3.221 -5.077
234 HD2 LYS 31 1HD LYS 31 5.503 -2.463 -6.742
235 HD3 LYS 31 2HD LYS 31 5.610 -4.120 -7.381
236 HE2 LYS 31 1HE LYS 31 3.233 -4.058 -7.976
237 HE3 LYS 31 2HE LYS 31 3.105 -2.412 -7.316
238 HZ1 LYS 31 3HZ LYS 31 4.792 -3.217 -9.598
239 HZ2 LYS 31 1HZ LYS 31 3.366 -2.396 -9.703
240 HZ3 LYS 31 2HZ LYS 31 4.674 -1.690 -8.986
241 H GLY 32 H GLY 32 6.987 -3.445 -1.834
242 HA2 GLY 32 1HA GLY 32 9.102 -5.416 -1.756
243 HA3 GLY 32 2HA GLY 32 8.998 -3.930 -0.784
244 H ARG 33 H ARG 33 6.317 -4.665 0.248
245 HA ARG 33 HA ARG 33 7.180 -6.376 2.472
246 HB2 ARG 33 1HB ARG 33 5.777 -4.457 2.844
247 HB3 ARG 33 2HB ARG 33 4.490 -5.222 1.883
248 HG2 ARG 33 1HG ARG 33 4.263 -7.003 3.494
249 HG3 ARG 33 2HG ARG 33 5.676 -6.416 4.404
250 HD2 ARG 33 1HD ARG 33 4.464 -4.401 4.975
251 HD3 ARG 33 2HD ARG 33 3.051 -5.000 4.075
252 HE ARG 33 HE ARG 33 3.683 -6.878 6.217
253 HH11 ARG 33 1HH1 ARG 33 2.377 -3.677 5.760
254 HH12 ARG 33 2HH1 ARG 33 1.415 -3.856 7.215
255 HH21 ARG 33 1HH2 ARG 33 2.595 -7.094 7.889
256 HH22 ARG 33 2HH2 ARG 33 1.540 -5.803 8.431
257 H GLY 34 H GLY 34 5.194 -6.708 -0.420
258 HA2 GLY 34 1HA GLY 34 5.110 -8.949 -1.431
259 HA3 GLY 34 2HA GLY 34 4.989 -9.627 0.209
260 H LEU 35 H LEU 35 3.259 -6.704 -0.420
261 HA LEU 35 HA LEU 35 0.700 -8.261 -0.467
262 HB2 LEU 35 1HB LEU 35 1.323 -5.484 0.301
263 HB3 LEU 35 2HB LEU 35 -0.317 -6.146 0.482
264 HG LEU 35 HG LEU 35 2.178 -6.974 2.014
265 HD11 LEU 35 1HD1 LEU 35 0.889 -6.141 3.998
266 HD12 LEU 35 2HD1 LEU 35 1.129 -4.851 2.797
267 HD13 LEU 35 3HD1 LEU 35 -0.444 -5.673 2.916
268 HD21 LEU 35 3HD2 LEU 35 0.814 -8.916 1.523
269 HD22 LEU 35 1HD2 LEU 35 0.699 -8.515 3.253
270 HD23 LEU 35 2HD2 LEU 35 -0.635 -8.094 2.150
271 H SER 36 H SER 36 -1.035 -7.560 -1.730
272 HA SER 36 HA SER 36 -0.702 -5.462 -3.784
273 HB2 SER 36 1HB SER 36 0.800 -6.968 -4.708
274 HB3 SER 36 2HB SER 36 -0.400 -8.277 -4.640
275 HG SER 36 HG SER 36 -0.310 -7.261 -6.689
Start of MODEL 4
1 H1 SER 1 H SER 1 14.116 14.849 16.330
2 HA SER 1 HA SER 1 11.102 15.193 15.940
3 HB2 SER 1 1HB SER 1 11.946 17.002 14.796
4 HB3 SER 1 2HB SER 1 12.679 15.955 13.559
5 HG SER 1 HG SER 1 10.540 15.229 13.082
6 H GLN 2 H GLN 2 9.847 13.476 15.606
7 HA GLN 2 HA GLN 2 10.810 11.045 14.362
8 HB2 GLN 2 1HB GLN 2 9.104 11.070 16.116
9 HB3 GLN 2 2HB GLN 2 8.011 11.972 15.040
10 HG2 GLN 2 1HG GLN 2 7.929 9.790 13.492
11 HG3 GLN 2 2HG GLN 2 9.190 9.358 14.670
12 HE21 GLN 2 2HE2 GLN 2 7.430 7.487 14.512
13 HE22 GLN 2 1HE2 GLN 2 6.249 7.530 15.779
14 H HIS 3 H HIS 3 10.901 10.443 12.353
15 HA HIS 3 HA HIS 3 9.994 12.073 10.169
16 HB2 HIS 3 1HB HIS 3 11.811 10.277 10.076
17 HB3 HIS 3 2HB HIS 3 10.502 9.072 10.076
18 HD2 HIS 3 HD2 HIS 3 12.410 11.348 7.517
19 HE1 HIS 3 HE1 HIS 3 9.038 9.611 5.604
20 HE2 HIS 3 HE2 HIS 3 11.278 10.957 5.321
21 H GLY 4 H GLY 4 8.218 12.142 8.972
22 HA2 GLY 4 1HA GLY 4 5.802 11.218 10.288
23 HA3 GLY 4 2HA GLY 4 5.904 12.136 8.768
24 H ARG 5 H ARG 5 4.003 10.347 8.723
25 HA ARG 5 HA ARG 5 4.696 7.627 8.179
26 HB2 ARG 5 1HB ARG 5 2.470 8.418 8.770
27 HB3 ARG 5 2HB ARG 5 2.328 9.113 7.138
28 HG2 ARG 5 1HG ARG 5 2.544 6.894 6.147
29 HG3 ARG 5 2HG ARG 5 2.765 6.176 7.762
30 HD2 ARG 5 1HD ARG 5 0.300 7.549 6.735
31 HD3 ARG 5 2HD ARG 5 0.550 5.796 6.910
32 HE ARG 5 HE ARG 5 -0.174 7.600 9.148
33 HH11 ARG 5 1HH1 ARG 5 1.239 4.526 8.300
34 HH12 ARG 5 2HH1 ARG 5 0.920 3.926 9.915
35 HH21 ARG 5 1HH2 ARG 5 -0.554 6.924 11.000
36 HH22 ARG 5 2HH2 ARG 5 -0.104 5.293 11.456
37 H THR 6 H THR 6 5.582 6.629 6.555
38 HA THR 6 HA THR 6 6.550 8.233 4.299
39 HB THR 6 HB THR 6 7.685 6.171 3.595
40 HG1 THR 6 HG1 THR 6 7.319 4.245 4.700
41 HG21 THR 6 1HG2 THR 6 9.082 5.800 5.598
42 HG22 THR 6 2HG2 THR 6 8.736 7.531 5.370
43 HG23 THR 6 3HG2 THR 6 7.853 6.602 6.605
44 H GLN 7 H GLN 7 6.377 7.542 2.073
45 HA GLN 7 HA GLN 7 3.659 6.414 1.499
46 HB2 GLN 7 1HB GLN 7 5.073 8.759 0.211
47 HB3 GLN 7 2HB GLN 7 3.607 7.985 -0.434
48 HG2 GLN 7 1HG GLN 7 2.410 8.781 1.880
49 HG3 GLN 7 2HG GLN 7 4.085 9.355 2.063
50 HE21 GLN 7 2HE2 GLN 7 2.035 11.132 2.334
51 HE22 GLN 7 1HE2 GLN 7 1.981 12.203 0.974
52 H ASP 8 H ASP 8 4.231 4.415 0.911
53 HA ASP 8 HA ASP 8 5.091 2.738 -0.457
54 HB2 ASP 8 1HB ASP 8 3.680 4.317 -2.115
55 HB3 ASP 8 2HB ASP 8 5.346 4.795 -2.525
56 H GLU 9 H GLU 9 7.014 3.837 1.124
57 HA GLU 9 HA GLU 9 9.380 4.149 -0.676
58 HB2 GLU 9 1HB GLU 9 8.978 4.599 2.284
59 HB3 GLU 9 2HB GLU 9 10.552 4.694 1.458
60 HG2 GLU 9 1HG GLU 9 9.689 6.631 0.082
61 HG3 GLU 9 2HG GLU 9 8.129 6.348 0.885
62 H ASN 10 H ASN 10 11.360 3.038 -0.120
63 HA ASN 10 HA ASN 10 10.773 0.190 -0.093
64 HB2 ASN 10 1HB ASN 10 13.575 1.542 -0.182
65 HB3 ASN 10 2HB ASN 10 12.962 -0.128 -0.120
66 HD21 ASN 10 2HD2 ASN 10 14.484 1.416 -2.166
67 HD22 ASN 10 1HD2 ASN 10 13.580 1.227 -3.632
68 HA PRO 11 HA PRO 11 11.281 -0.799 4.061
69 HB2 PRO 11 1HB PRO 11 12.240 -3.118 3.738
70 HB3 PRO 11 2HB PRO 11 10.677 -2.739 3.476
71 HG2 PRO 11 1HG PRO 11 12.512 -3.143 1.671
72 HG3 PRO 11 2HG PRO 11 10.957 -3.631 1.601
73 HD2 PRO 11 1HD PRO 11 11.730 -1.631 0.347
74 HD3 PRO 11 2HD PRO 11 10.265 -1.692 1.061
75 H VAL 12 H VAL 12 13.884 -1.079 1.860
76 HA VAL 12 HA VAL 12 16.003 -1.122 3.877
77 HB VAL 12 HB VAL 12 15.994 -0.285 0.949
78 HG11 VAL 12 1HG1 VAL 12 18.457 -0.415 1.122
79 HG12 VAL 12 2HG1 VAL 12 17.802 0.831 2.211
80 HG13 VAL 12 3HG1 VAL 12 18.317 -0.742 2.866
81 HG21 VAL 12 3HG2 VAL 12 15.501 -2.636 1.265
82 HG22 VAL 12 1HG2 VAL 12 17.126 -2.418 0.576
83 HG23 VAL 12 2HG2 VAL 12 16.938 -2.818 2.300
84 H VAL 13 H VAL 13 14.408 1.460 2.029
85 HA VAL 13 HA VAL 13 15.852 3.625 3.301
86 HB VAL 13 HB VAL 13 13.065 3.496 2.079
87 HG11 VAL 13 1HG1 VAL 13 13.173 5.966 2.071
88 HG12 VAL 13 2HG1 VAL 13 13.235 5.328 3.731
89 HG13 VAL 13 3HG1 VAL 13 14.724 5.902 2.941
90 HG21 VAL 13 3HG2 VAL 13 14.838 3.067 0.485
91 HG22 VAL 13 1HG2 VAL 13 14.099 4.659 0.195
92 HG23 VAL 13 2HG2 VAL 13 15.684 4.547 0.998
93 H HIS 14 H HIS 14 12.884 1.899 4.186
94 HA HIS 14 HA HIS 14 12.302 3.453 6.513
95 HB2 HIS 14 1HB HIS 14 11.763 0.525 5.855
96 HB3 HIS 14 2HB HIS 14 11.125 1.353 7.296
97 HD2 HIS 14 HD2 HIS 14 10.427 4.163 5.106
98 HE1 HIS 14 HE1 HIS 14 7.504 1.294 3.976
99 HE2 HIS 14 HE2 HIS 14 8.261 3.810 3.904
100 H PHE 15 H PHE 15 14.331 0.554 6.106
101 HA PHE 15 HA PHE 15 15.080 0.238 8.826
102 HB2 PHE 15 1HB PHE 15 15.628 -1.439 7.109
103 HB3 PHE 15 2HB PHE 15 16.714 -0.284 6.305
104 HD1 PHE 15 HD1 PHE 15 16.181 -2.147 9.471
105 HD2 PHE 15 HD2 PHE 15 18.934 -0.113 6.914
106 HE1 PHE 15 HE1 PHE 15 18.062 -2.954 10.858
107 HE2 PHE 15 HE2 PHE 15 20.818 -0.920 8.297
108 HZ PHE 15 HZ PHE 15 20.381 -2.340 10.271
109 H PHE 16 H PHE 16 16.713 2.133 6.273
110 HA PHE 16 HA PHE 16 18.762 3.192 7.952
111 HB2 PHE 16 1HB PHE 16 18.892 3.370 5.511
112 HB3 PHE 16 2HB PHE 16 17.435 4.390 5.482
113 HD1 PHE 16 HD1 PHE 16 20.956 4.240 6.620
114 HD2 PHE 16 HD2 PHE 16 17.560 6.690 5.775
115 HE1 PHE 16 HE1 PHE 16 22.368 6.260 6.816
116 HE2 PHE 16 HE2 PHE 16 18.968 8.712 5.968
117 HZ PHE 16 HZ PHE 16 21.373 8.496 6.490
118 H LYS 17 H LYS 17 15.540 4.498 7.154
119 HA LYS 17 HA LYS 17 16.009 6.966 8.606
120 HB2 LYS 17 1HB LYS 17 13.548 5.607 7.517
121 HB3 LYS 17 2HB LYS 17 13.488 7.150 8.402
122 HG2 LYS 17 1HG LYS 17 15.021 8.136 6.701
123 HG3 LYS 17 2HG LYS 17 14.941 6.609 5.791
124 HD2 LYS 17 1HD LYS 17 12.566 6.869 5.438
125 HD3 LYS 17 2HD LYS 17 12.520 8.289 6.511
126 HE2 LYS 17 1HE LYS 17 14.028 9.483 4.950
127 HE3 LYS 17 2HE LYS 17 13.989 8.076 3.864
128 HZ1 LYS 17 3HZ LYS 17 11.657 9.706 4.644
129 HZ2 LYS 17 1HZ LYS 17 12.425 9.768 3.185
130 HZ3 LYS 17 2HZ LYS 17 11.619 8.401 3.636
131 H ASN 18 H ASN 18 14.826 3.807 9.488
132 HA ASN 18 HA ASN 18 13.645 4.689 12.014
133 HB2 ASN 18 1HB ASN 18 14.295 1.785 11.101
134 HB3 ASN 18 2HB ASN 18 13.727 2.538 12.611
135 HD21 ASN 18 2HD2 ASN 18 12.446 0.634 10.760
136 HD22 ASN 18 1HD2 ASN 18 10.941 1.364 10.312
137 H ILE 19 H ILE 19 16.806 4.395 10.929
138 HA ILE 19 HA ILE 19 17.847 3.934 13.701
139 HB ILE 19 HB ILE 19 19.249 4.101 10.994
140 HG12 ILE 19 1HG1 ILE 19 19.009 1.775 12.878
141 HG13 ILE 19 2HG1 ILE 19 17.920 2.065 11.502
142 HG21 ILE 19 1HG2 ILE 19 21.296 3.501 12.246
143 HG22 ILE 19 2HG2 ILE 19 20.640 5.059 12.800
144 HG23 ILE 19 3HG2 ILE 19 20.388 3.590 13.773
145 HD11 ILE 19 3HD1 ILE 19 20.925 1.640 11.335
146 HD12 ILE 19 1HD1 ILE 19 19.678 0.441 10.919
147 HD13 ILE 19 2HD1 ILE 19 19.836 1.930 9.958
148 H VAL 20 H VAL 20 17.960 6.314 11.066
149 HA VAL 20 HA VAL 20 19.535 8.168 12.762
150 HB VAL 20 HB VAL 20 19.375 9.682 10.818
151 HG11 VAL 20 1HG1 VAL 20 20.627 8.296 9.196
152 HG12 VAL 20 2HG1 VAL 20 21.170 7.983 10.862
153 HG13 VAL 20 3HG1 VAL 20 20.095 6.825 10.043
154 HG21 VAL 20 3HG2 VAL 20 17.132 9.126 10.086
155 HG22 VAL 20 1HG2 VAL 20 18.293 8.958 8.749
156 HG23 VAL 20 2HG2 VAL 20 17.677 7.510 9.580
157 H THR 21 H THR 21 16.201 7.609 11.973
158 HA THR 21 HA THR 21 15.571 9.786 13.926
159 HB THR 21 HB THR 21 13.532 10.341 12.664
160 HG1 THR 21 HG1 THR 21 13.307 8.309 11.578
161 HG21 THR 21 1HG2 THR 21 14.585 11.490 10.748
162 HG22 THR 21 2HG2 THR 21 15.584 11.642 12.213
163 HG23 THR 21 3HG2 THR 21 16.038 10.483 10.942
164 HA PRO 22 HA PRO 22 12.982 7.076 16.043
165 HB2 PRO 22 1HB PRO 22 11.032 8.944 15.645
166 HB3 PRO 22 2HB PRO 22 11.599 8.282 17.022
167 HG2 PRO 22 1HG PRO 22 12.578 10.338 15.755
168 HG3 PRO 22 2HG PRO 22 12.445 10.167 17.371
169 HD2 PRO 22 1HD PRO 22 13.307 10.400 14.163
170 HD3 PRO 22 2HD PRO 22 13.916 10.208 15.664
171 H ARG 23 H ARG 23 11.291 5.525 15.860
172 HA ARG 23 HA ARG 23 11.232 4.428 13.273
173 HB2 ARG 23 1HB ARG 23 9.360 4.012 15.555
174 HB3 ARG 23 2HB ARG 23 9.309 3.100 14.028
175 HG2 ARG 23 1HG ARG 23 11.589 2.287 14.429
176 HG3 ARG 23 2HG ARG 23 11.655 3.211 15.949
177 HD2 ARG 23 1HD ARG 23 9.644 1.060 15.404
178 HD3 ARG 23 2HD ARG 23 11.233 0.765 16.149
179 HE ARG 23 HE ARG 23 9.899 2.694 17.813
180 HH11 ARG 23 1HH1 ARG 23 9.346 -0.594 16.792
181 HH12 ARG 23 2HH1 ARG 23 8.529 -0.932 18.305
182 HH21 ARG 23 1HH2 ARG 23 8.958 2.325 19.547
183 HH22 ARG 23 2HH2 ARG 23 8.305 0.732 19.876
184 H THR 24 H THR 24 10.308 4.903 11.456
185 HA THR 24 HA THR 24 8.236 7.029 11.445
186 HB THR 24 HB THR 24 10.252 7.108 9.898
187 HG1 THR 24 HG1 THR 24 7.655 6.992 8.702
188 HG21 THR 24 1HG2 THR 24 10.161 5.688 7.880
189 HG22 THR 24 2HG2 THR 24 10.335 4.700 9.351
190 HG23 THR 24 3HG2 THR 24 8.752 4.830 8.546
191 HA PRO 25 HA PRO 25 4.908 4.329 11.006
192 HB2 PRO 25 1HB PRO 25 3.900 6.556 9.793
193 HB3 PRO 25 2HB PRO 25 3.316 5.666 11.027
194 HG2 PRO 25 1HG PRO 25 5.028 7.624 11.184
195 HG3 PRO 25 2HG PRO 25 3.805 7.317 12.220
196 HD2 PRO 25 1HD PRO 25 6.657 7.710 10.554
197 HD3 PRO 25 2HD PRO 25 6.043 7.254 11.995
198 HA PRO 26 HA PRO 26 5.473 2.896 7.001
199 HB2 PRO 26 1HB PRO 26 3.826 1.009 7.074
200 HB3 PRO 26 2HB PRO 26 5.213 0.995 7.928
201 HG2 PRO 26 1HG PRO 26 2.810 1.395 8.854
202 HG3 PRO 26 2HG PRO 26 3.994 0.529 9.568
203 HD2 PRO 26 1HD PRO 26 3.681 2.826 10.389
204 HD3 PRO 26 2HD PRO 26 5.195 2.242 10.214
205 HA PRO 27 HA PRO 27 2.510 4.552 4.392
206 HB2 PRO 27 1HB PRO 27 2.851 2.346 2.836
207 HB3 PRO 27 2HB PRO 27 3.089 3.923 2.503
208 HG2 PRO 27 1HG PRO 27 4.799 2.275 3.573
209 HG3 PRO 27 2HG PRO 27 5.124 3.427 2.465
210 HD2 PRO 27 1HD PRO 27 4.852 1.610 5.138
211 HD3 PRO 27 2HD PRO 27 5.425 3.040 4.602
212 H SER 28 H SER 28 0.321 4.530 3.824
213 HA SER 28 HA SER 28 -1.342 2.504 5.183
214 HB2 SER 28 1HB SER 28 -3.148 3.689 4.492
215 HB3 SER 28 2HB SER 28 -1.914 4.824 5.084
216 HG SER 28 HG SER 28 -2.489 4.231 2.370
217 H GLN 29 H GLN 29 -3.106 1.444 3.948
218 HA GLN 29 HA GLN 29 -1.998 -0.053 1.682
219 HB2 GLN 29 1HB GLN 29 -4.700 -0.071 3.042
220 HB3 GLN 29 2HB GLN 29 -4.223 -1.167 1.723
221 HG2 GLN 29 1HG GLN 29 -2.316 -2.079 3.443
222 HG3 GLN 29 2HG GLN 29 -3.147 -0.814 4.379
223 HE21 GLN 29 2HE2 GLN 29 -2.857 -3.492 5.232
224 HE22 GLN 29 1HE2 GLN 29 -4.430 -4.217 5.299
225 H GLY 30 H GLY 30 -2.821 -0.218 -0.383
226 HA2 GLY 30 1HA GLY 30 -4.184 0.487 -2.204
227 HA3 GLY 30 2HA GLY 30 -4.728 1.883 -1.246
228 H LYS 31 H LYS 31 -1.515 1.757 -0.694
229 HA LYS 31 HA LYS 31 -0.969 3.770 -2.835
230 HB2 LYS 31 1HB LYS 31 0.520 3.142 -0.281
231 HB3 LYS 31 2HB LYS 31 0.908 4.438 -1.437
232 HG2 LYS 31 1HG LYS 31 -1.642 4.226 0.203
233 HG3 LYS 31 2HG LYS 31 -0.265 5.297 0.562
234 HD2 LYS 31 1HD LYS 31 -0.585 6.415 -1.622
235 HD3 LYS 31 2HD LYS 31 -1.988 5.367 -1.939
236 HE2 LYS 31 1HE LYS 31 -3.059 6.262 0.128
237 HE3 LYS 31 2HE LYS 31 -1.692 7.385 0.307
238 HZ1 LYS 31 3HZ LYS 31 -3.548 7.294 -1.985
239 HZ2 LYS 31 1HZ LYS 31 -3.561 8.425 -0.784
240 HZ3 LYS 31 2HZ LYS 31 -2.280 8.336 -1.820
241 H GLY 32 H GLY 32 -0.543 0.537 -2.291
242 HA2 GLY 32 1HA GLY 32 0.586 -0.780 -3.981
243 HA3 GLY 32 2HA GLY 32 1.793 0.516 -4.147
244 H ARG 33 H ARG 33 1.340 0.446 -0.954
245 HA ARG 33 HA ARG 33 3.804 -0.927 -0.369
246 HB2 ARG 33 1HB ARG 33 3.027 0.880 0.972
247 HB3 ARG 33 2HB ARG 33 1.611 -0.075 1.470
248 HG2 ARG 33 1HG ARG 33 4.269 -1.310 1.950
249 HG3 ARG 33 2HG ARG 33 3.879 0.124 2.929
250 HD2 ARG 33 1HD ARG 33 2.137 -2.305 2.698
251 HD3 ARG 33 2HD ARG 33 3.343 -2.036 3.980
252 HE ARG 33 HE ARG 33 1.589 0.166 4.231
253 HH11 ARG 33 1HH1 ARG 33 1.078 -3.281 4.117
254 HH12 ARG 33 2HH1 ARG 33 -0.321 -3.114 5.157
255 HH21 ARG 33 1HH2 ARG 33 -0.016 0.375 5.417
256 HH22 ARG 33 2HH2 ARG 33 -0.948 -1.029 5.898
257 H GLY 34 H GLY 34 0.393 -1.863 0.037
258 HA2 GLY 34 1HA GLY 34 1.031 -4.450 1.157
259 HA3 GLY 34 2HA GLY 34 -0.542 -3.932 0.507
260 H LEU 35 H LEU 35 0.723 -3.159 -2.084
261 HA LEU 35 HA LEU 35 0.548 -5.784 -3.373
262 HB2 LEU 35 1HB LEU 35 1.180 -3.052 -4.274
263 HB3 LEU 35 2HB LEU 35 1.020 -4.354 -5.476
264 HG LEU 35 HG LEU 35 -1.164 -3.295 -3.639
265 HD11 LEU 35 1HD1 LEU 35 -2.233 -2.556 -5.785
266 HD12 LEU 35 2HD1 LEU 35 -0.641 -1.797 -5.561
267 HD13 LEU 35 3HD1 LEU 35 -0.823 -3.168 -6.680
268 HD21 LEU 35 3HD2 LEU 35 -1.386 -5.687 -3.965
269 HD22 LEU 35 1HD2 LEU 35 -2.667 -4.832 -4.857
270 HD23 LEU 35 2HD2 LEU 35 -1.261 -5.488 -5.730
271 H SER 36 H SER 36 3.090 -3.590 -2.387
272 HA SER 36 HA SER 36 5.280 -4.702 -3.928
273 HB2 SER 36 1HB SER 36 5.418 -2.588 -2.980
274 HB3 SER 36 2HB SER 36 5.269 -3.266 -1.343
275 HG SER 36 HG SER 36 7.445 -2.899 -1.958
Start of MODEL 5
1 H1 SER 1 H SER 1 -5.766 -0.297 2.416
2 HA SER 1 HA SER 1 -5.220 -2.325 0.192
3 HB2 SER 1 1HB SER 1 -7.251 -3.261 -0.322
4 HB3 SER 1 2HB SER 1 -7.015 -3.224 1.440
5 HG SER 1 HG SER 1 -9.105 -2.423 0.207
6 H GLN 2 H GLN 2 -7.117 0.661 0.335
7 HA GLN 2 HA GLN 2 -7.750 0.739 -2.493
8 HB2 GLN 2 1HB GLN 2 -7.691 2.870 -0.346
9 HB3 GLN 2 2HB GLN 2 -8.275 3.132 -2.007
10 HG2 GLN 2 1HG GLN 2 -10.152 1.232 -1.405
11 HG3 GLN 2 2HG GLN 2 -9.213 1.394 0.097
12 HE21 GLN 2 2HE2 GLN 2 -11.984 1.751 0.001
13 HE22 GLN 2 1HE2 GLN 2 -12.347 3.415 0.317
14 H HIS 3 H HIS 3 -6.957 2.038 -4.115
15 HA HIS 3 HA HIS 3 -4.054 2.343 -4.057
16 HB2 HIS 3 1HB HIS 3 -4.342 3.152 -6.385
17 HB3 HIS 3 2HB HIS 3 -5.238 1.636 -6.125
18 HD2 HIS 3 HD2 HIS 3 -5.954 5.358 -7.222
19 HE1 HIS 3 HE1 HIS 3 -9.616 3.234 -6.866
20 HE2 HIS 3 HE2 HIS 3 -8.412 5.428 -7.675
21 H GLY 4 H GLY 4 -2.939 4.297 -4.702
22 HA2 GLY 4 1HA GLY 4 -3.834 6.471 -2.938
23 HA3 GLY 4 2HA GLY 4 -2.263 6.340 -3.761
24 H ARG 5 H ARG 5 -3.250 8.066 -6.689
25 HA ARG 5 HA ARG 5 -1.857 5.670 -5.626
26 HB2 ARG 5 1HB ARG 5 -1.404 7.263 -8.109
27 HB3 ARG 5 2HB ARG 5 -0.459 5.848 -7.588
28 HG2 ARG 5 1HG ARG 5 -2.361 4.402 -7.813
29 HG3 ARG 5 2HG ARG 5 -3.445 5.787 -8.092
30 HD2 ARG 5 1HD ARG 5 -1.186 5.073 -9.921
31 HD3 ARG 5 2HD ARG 5 -2.829 4.411 -10.083
32 HE ARG 5 HE ARG 5 -2.913 7.340 -10.185
33 HH11 ARG 5 1HH1 ARG 5 -2.037 4.572 -12.114
34 HH12 ARG 5 2HH1 ARG 5 -2.398 5.469 -13.576
35 HH21 ARG 5 1HH2 ARG 5 -3.325 8.383 -11.849
36 HH22 ARG 5 2HH2 ARG 5 -3.133 7.643 -13.426
37 H THR 6 H THR 6 0.099 5.598 -4.739
38 HA THR 6 HA THR 6 1.593 8.174 -4.452
39 HB THR 6 HB THR 6 2.101 7.610 -2.102
40 HG1 THR 6 HG1 THR 6 1.725 5.318 -2.314
41 HG21 THR 6 1HG2 THR 6 -0.120 8.098 -1.137
42 HG22 THR 6 2HG2 THR 6 0.183 9.091 -2.583
43 HG23 THR 6 3HG2 THR 6 -0.885 7.672 -2.686
44 H GLN 7 H GLN 7 3.803 7.782 -3.505
45 HA GLN 7 HA GLN 7 5.085 5.794 -5.246
46 HB2 GLN 7 1HB GLN 7 6.116 7.936 -5.070
47 HB3 GLN 7 2HB GLN 7 6.097 7.861 -3.292
48 HG2 GLN 7 1HG GLN 7 8.515 7.216 -3.887
49 HG3 GLN 7 2HG GLN 7 7.389 5.899 -3.484
50 HE21 GLN 7 2HE2 GLN 7 8.623 4.349 -4.573
51 HE22 GLN 7 1HE2 GLN 7 8.706 4.283 -6.302
52 H ASP 8 H ASP 8 5.705 3.840 -4.773
53 HA ASP 8 HA ASP 8 5.498 2.773 -2.067
54 HB2 ASP 8 1HB ASP 8 5.204 1.378 -4.239
55 HB3 ASP 8 2HB ASP 8 6.939 1.735 -4.423
56 H GLU 9 H GLU 9 6.789 3.326 -0.507
57 HA GLU 9 HA GLU 9 9.507 4.280 -1.005
58 HB2 GLU 9 1HB GLU 9 8.009 3.579 1.524
59 HB3 GLU 9 2HB GLU 9 9.649 4.271 1.474
60 HG2 GLU 9 1HG GLU 9 8.625 6.314 0.257
61 HG3 GLU 9 2HG GLU 9 7.082 5.478 0.539
62 H ASN 10 H ASN 10 11.433 3.361 -0.561
63 HA ASN 10 HA ASN 10 11.535 0.442 -0.703
64 HB2 ASN 10 1HB ASN 10 13.409 2.170 -1.708
65 HB3 ASN 10 2HB ASN 10 13.621 2.212 0.059
66 HD21 ASN 10 2HD2 ASN 10 15.377 1.332 -2.176
67 HD22 ASN 10 1HD2 ASN 10 15.862 -0.278 -1.758
68 HA PRO 11 HA PRO 11 11.102 -0.292 3.539
69 HB2 PRO 11 1HB PRO 11 12.169 -2.642 2.630
70 HB3 PRO 11 2HB PRO 11 10.858 -2.364 3.556
71 HG2 PRO 11 1HG PRO 11 10.976 -2.300 0.953
72 HG3 PRO 11 2HG PRO 11 9.760 -2.905 1.855
73 HD2 PRO 11 1HD PRO 11 12.013 -1.238 -0.063
74 HD3 PRO 11 2HD PRO 11 10.464 -1.224 0.448
75 H VAL 12 H VAL 12 13.972 -0.891 1.738
76 HA VAL 12 HA VAL 12 15.778 -1.121 4.000
77 HB VAL 12 HB VAL 12 16.247 -0.260 1.116
78 HG11 VAL 12 1HG1 VAL 12 18.638 -0.656 1.604
79 HG12 VAL 12 2HG1 VAL 12 17.984 0.646 2.625
80 HG13 VAL 12 3HG1 VAL 12 18.238 -0.979 3.307
81 HG21 VAL 12 3HG2 VAL 12 15.470 -2.545 1.317
82 HG22 VAL 12 1HG2 VAL 12 17.185 -2.500 0.849
83 HG23 VAL 12 2HG2 VAL 12 16.732 -2.889 2.525
84 H VAL 13 H VAL 13 14.649 1.642 2.094
85 HA VAL 13 HA VAL 13 16.315 3.569 3.530
86 HB VAL 13 HB VAL 13 13.776 3.903 1.880
87 HG11 VAL 13 1HG1 VAL 13 14.356 6.305 1.861
88 HG12 VAL 13 2HG1 VAL 13 14.046 5.735 3.518
89 HG13 VAL 13 3HG1 VAL 13 15.718 5.986 2.960
90 HG21 VAL 13 3HG2 VAL 13 15.651 3.083 0.583
91 HG22 VAL 13 1HG2 VAL 13 15.283 4.773 0.165
92 HG23 VAL 13 2HG2 VAL 13 16.678 4.397 1.204
93 H HIS 14 H HIS 14 13.024 2.343 3.962
94 HA HIS 14 HA HIS 14 12.325 4.037 6.153
95 HB2 HIS 14 1HB HIS 14 10.631 2.636 5.092
96 HB3 HIS 14 2HB HIS 14 11.522 1.160 5.533
97 HD2 HIS 14 HD2 HIS 14 10.468 -0.020 7.844
98 HE1 HIS 14 HE1 HIS 14 8.788 3.549 9.422
99 HE2 HIS 14 HE2 HIS 14 9.115 0.957 9.708
100 H PHE 15 H PHE 15 13.996 0.889 6.108
101 HA PHE 15 HA PHE 15 14.484 0.737 8.920
102 HB2 PHE 15 1HB PHE 15 14.887 -1.171 7.412
103 HB3 PHE 15 2HB PHE 15 16.182 -0.268 6.595
104 HD1 PHE 15 HD1 PHE 15 15.169 -1.692 9.871
105 HD2 PHE 15 HD2 PHE 15 18.356 -0.353 7.361
106 HE1 PHE 15 HE1 PHE 15 16.813 -2.605 11.475
107 HE2 PHE 15 HE2 PHE 15 20.003 -1.266 8.962
108 HZ PHE 15 HZ PHE 15 19.230 -2.391 11.021
109 H PHE 16 H PHE 16 16.448 2.187 6.316
110 HA PHE 16 HA PHE 16 18.524 3.230 7.944
111 HB2 PHE 16 1HB PHE 16 18.617 3.304 5.484
112 HB3 PHE 16 2HB PHE 16 17.247 4.437 5.451
113 HD1 PHE 16 HD1 PHE 16 20.770 4.027 6.502
114 HD2 PHE 16 HD2 PHE 16 17.558 6.730 5.711
115 HE1 PHE 16 HE1 PHE 16 22.344 5.930 6.620
116 HE2 PHE 16 HE2 PHE 16 19.130 8.635 5.825
117 HZ PHE 16 HZ PHE 16 21.524 8.234 6.282
118 H LYS 17 H LYS 17 15.353 4.643 7.148
119 HA LYS 17 HA LYS 17 15.789 7.068 8.651
120 HB2 LYS 17 1HB LYS 17 13.312 5.612 7.735
121 HB3 LYS 17 2HB LYS 17 13.265 7.152 8.625
122 HG2 LYS 17 1HG LYS 17 14.559 8.228 6.823
123 HG3 LYS 17 2HG LYS 17 14.589 6.688 5.931
124 HD2 LYS 17 1HD LYS 17 12.138 6.711 5.785
125 HD3 LYS 17 2HD LYS 17 12.091 8.233 6.704
126 HE2 LYS 17 1HE LYS 17 13.353 9.359 4.933
127 HE3 LYS 17 2HE LYS 17 13.444 7.837 4.018
128 HZ1 LYS 17 3HZ LYS 17 10.965 9.287 4.695
129 HZ2 LYS 17 1HZ LYS 17 11.684 9.259 3.210
130 HZ3 LYS 17 2HZ LYS 17 11.047 7.875 3.845
131 H ASN 18 H ASN 18 14.557 3.877 9.506
132 HA ASN 18 HA ASN 18 13.549 4.542 12.099
133 HB2 ASN 18 1HB ASN 18 14.662 1.789 11.167
134 HB3 ASN 18 2HB ASN 18 14.023 2.439 12.696
135 HD21 ASN 18 2HD2 ASN 18 13.034 0.337 10.872
136 HD22 ASN 18 1HD2 ASN 18 11.409 0.793 10.480
137 H ILE 19 H ILE 19 16.819 3.861 10.960
138 HA ILE 19 HA ILE 19 17.945 4.009 13.683
139 HB ILE 19 HB ILE 19 19.223 4.007 10.910
140 HG12 ILE 19 1HG1 ILE 19 19.234 1.887 13.039
141 HG13 ILE 19 2HG1 ILE 19 18.089 1.943 11.679
142 HG21 ILE 19 1HG2 ILE 19 21.362 3.699 12.107
143 HG22 ILE 19 2HG2 ILE 19 20.611 5.254 12.532
144 HG23 ILE 19 3HG2 ILE 19 20.520 3.884 13.663
145 HD11 ILE 19 3HD1 ILE 19 21.111 1.728 11.451
146 HD12 ILE 19 1HD1 ILE 19 19.952 0.401 11.210
147 HD13 ILE 19 2HD1 ILE 19 19.967 1.785 10.091
148 H VAL 20 H VAL 20 17.624 6.182 10.909
149 HA VAL 20 HA VAL 20 19.241 8.237 12.365
150 HB VAL 20 HB VAL 20 18.113 8.193 9.533
151 HG11 VAL 20 1HG1 VAL 20 19.562 10.166 9.189
152 HG12 VAL 20 2HG1 VAL 20 18.346 10.476 10.451
153 HG13 VAL 20 3HG1 VAL 20 20.029 10.121 10.905
154 HG21 VAL 20 3HG2 VAL 20 19.852 6.532 9.827
155 HG22 VAL 20 1HG2 VAL 20 20.432 7.887 8.828
156 HG23 VAL 20 2HG2 VAL 20 20.931 7.760 10.532
157 H THR 21 H THR 21 16.144 8.178 10.576
158 HA THR 21 HA THR 21 15.464 10.780 11.752
159 HB THR 21 HB THR 21 13.835 8.899 9.992
160 HG1 THR 21 HG1 THR 21 14.444 10.454 8.370
161 HG21 THR 21 1HG2 THR 21 12.426 10.887 9.586
162 HG22 THR 21 2HG2 THR 21 12.429 10.445 11.311
163 HG23 THR 21 3HG2 THR 21 13.406 11.819 10.742
164 HA PRO 22 HA PRO 22 13.471 9.090 15.203
165 HB2 PRO 22 1HB PRO 22 12.737 11.308 16.126
166 HB3 PRO 22 2HB PRO 22 14.285 10.802 16.167
167 HG2 PRO 22 1HG PRO 22 13.270 12.603 14.581
168 HG3 PRO 22 2HG PRO 22 14.731 12.658 15.304
169 HD2 PRO 22 1HD PRO 22 14.660 11.951 12.944
170 HD3 PRO 22 2HD PRO 22 15.674 11.209 13.985
171 H ARG 23 H ARG 23 11.452 8.405 15.739
172 HA ARG 23 HA ARG 23 9.170 8.084 15.421
173 HB2 ARG 23 1HB ARG 23 9.221 11.043 15.034
174 HB3 ARG 23 2HB ARG 23 7.773 10.033 15.255
175 HG2 ARG 23 1HG ARG 23 8.691 9.329 17.478
176 HG3 ARG 23 2HG ARG 23 10.003 10.513 17.254
177 HD2 ARG 23 1HD ARG 23 8.235 12.258 17.053
178 HD3 ARG 23 2HD ARG 23 7.068 11.021 17.574
179 HE ARG 23 HE ARG 23 9.141 11.269 19.607
180 HH11 ARG 23 1HH1 ARG 23 6.456 13.074 18.308
181 HH12 ARG 23 2HH1 ARG 23 6.217 13.848 19.862
182 HH21 ARG 23 1HH2 ARG 23 8.886 12.153 21.389
183 HH22 ARG 23 2HH2 ARG 23 7.603 13.324 21.620
184 H THR 24 H THR 24 10.486 7.216 13.308
185 HA THR 24 HA THR 24 9.413 8.434 10.850
186 HB THR 24 HB THR 24 10.934 5.832 11.302
187 HG1 THR 24 HG1 THR 24 12.196 7.686 11.716
188 HG21 THR 24 1HG2 THR 24 11.285 5.885 8.858
189 HG22 THR 24 2HG2 THR 24 9.552 5.785 9.254
190 HG23 THR 24 3HG2 THR 24 10.260 7.335 8.742
191 HA PRO 25 HA PRO 25 5.739 6.158 11.086
192 HB2 PRO 25 1HB PRO 25 4.699 7.196 9.059
193 HB3 PRO 25 2HB PRO 25 4.904 8.017 10.452
194 HG2 PRO 25 1HG PRO 25 6.290 8.281 8.262
195 HG3 PRO 25 2HG PRO 25 5.802 9.481 9.252
196 HD2 PRO 25 1HD PRO 25 8.124 8.743 9.561
197 HD3 PRO 25 2HD PRO 25 7.228 9.085 10.881
198 HA PRO 26 HA PRO 26 5.968 2.804 8.400
199 HB2 PRO 26 1HB PRO 26 3.336 3.276 7.852
200 HB3 PRO 26 2HB PRO 26 4.080 1.932 8.394
201 HG2 PRO 26 1HG PRO 26 3.208 3.925 9.829
202 HG3 PRO 26 2HG PRO 26 3.114 2.342 10.208
203 HD2 PRO 26 1HD PRO 26 3.764 5.581 9.860
204 HD3 PRO 26 2HD PRO 26 4.160 4.260 10.732
205 HA PRO 27 HA PRO 27 6.730 4.501 4.560
206 HB2 PRO 27 1HB PRO 27 7.139 2.374 3.271
207 HB3 PRO 27 2HB PRO 27 8.166 2.949 4.399
208 HG2 PRO 27 1HG PRO 27 6.529 0.937 4.653
209 HG3 PRO 27 2HG PRO 27 8.053 1.027 5.227
210 HD2 PRO 27 1HD PRO 27 6.166 1.423 6.775
211 HD3 PRO 27 2HD PRO 27 7.533 2.309 6.879
212 H SER 28 H SER 28 5.647 5.251 2.819
213 HA SER 28 HA SER 28 2.886 4.385 2.375
214 HB2 SER 28 1HB SER 28 2.813 5.928 0.677
215 HB3 SER 28 2HB SER 28 3.585 6.628 2.118
216 HG SER 28 HG SER 28 4.734 5.896 -0.343
217 H GLN 29 H GLN 29 2.064 3.537 0.380
218 HA GLN 29 HA GLN 29 3.953 1.497 -0.748
219 HB2 GLN 29 1HB GLN 29 0.971 1.272 -0.301
220 HB3 GLN 29 2HB GLN 29 2.059 0.006 -0.916
221 HG2 GLN 29 1HG GLN 29 2.058 0.999 2.067
222 HG3 GLN 29 2HG GLN 29 1.451 -0.407 1.162
223 HE21 GLN 29 2HE2 GLN 29 4.091 0.994 2.811
224 HE22 GLN 29 1HE2 GLN 29 5.286 -0.196 2.417
225 H GLY 30 H GLY 30 3.014 0.473 -2.794
226 HA2 GLY 30 1HA GLY 30 2.747 2.692 -4.700
227 HA3 GLY 30 2HA GLY 30 2.977 0.970 -5.086
228 H LYS 31 H LYS 31 1.324 1.460 -6.742
229 HA LYS 31 HA LYS 31 -1.343 2.251 -6.081
230 HB2 LYS 31 1HB LYS 31 -0.391 2.269 -8.346
231 HB3 LYS 31 2HB LYS 31 -0.362 0.490 -8.333
232 HG2 LYS 31 1HG LYS 31 -2.805 0.432 -8.170
233 HG3 LYS 31 2HG LYS 31 -2.857 2.210 -8.131
234 HD2 LYS 31 1HD LYS 31 -1.878 2.308 -10.375
235 HD3 LYS 31 2HD LYS 31 -1.767 0.531 -10.415
236 HE2 LYS 31 1HE LYS 31 -4.211 0.372 -10.226
237 HE3 LYS 31 2HE LYS 31 -4.325 2.146 -10.184
238 HZ1 LYS 31 3HZ LYS 31 -3.279 0.547 -12.432
239 HZ2 LYS 31 1HZ LYS 31 -4.758 1.279 -12.381
240 HZ3 LYS 31 2HZ LYS 31 -3.385 2.193 -12.394
241 H GLY 32 H GLY 32 -2.878 1.323 -5.000
242 HA2 GLY 32 1HA GLY 32 -2.805 -1.641 -4.678
243 HA3 GLY 32 2HA GLY 32 -3.700 -0.500 -3.647
244 H ARG 33 H ARG 33 -5.746 -1.255 -3.854
245 HA ARG 33 HA ARG 33 -7.030 -0.775 -6.487
246 HB2 ARG 33 1HB ARG 33 -6.430 -3.116 -6.517
247 HB3 ARG 33 2HB ARG 33 -7.384 -3.359 -5.035
248 HG2 ARG 33 1HG ARG 33 -9.421 -2.723 -6.200
249 HG3 ARG 33 2HG ARG 33 -8.493 -2.357 -7.675
250 HD2 ARG 33 1HD ARG 33 -7.872 -4.695 -7.849
251 HD3 ARG 33 2HD ARG 33 -8.834 -5.050 -6.394
252 HE ARG 33 HE ARG 33 -10.627 -3.940 -8.377
253 HH11 ARG 33 1HH1 ARG 33 -8.673 -6.795 -7.943
254 HH12 ARG 33 2HH1 ARG 33 -9.808 -7.726 -8.902
255 HH21 ARG 33 1HH2 ARG 33 -11.932 -4.990 -9.483
256 HH22 ARG 33 2HH2 ARG 33 -11.667 -6.696 -9.782
257 H GLY 34 H GLY 34 -8.553 0.618 -6.149
258 HA2 GLY 34 1HA GLY 34 -9.566 1.234 -3.544
259 HA3 GLY 34 2HA GLY 34 -10.225 1.815 -5.091
260 H LEU 35 H LEU 35 -10.457 -1.132 -5.907
261 HA LEU 35 HA LEU 35 -13.208 -1.441 -4.877
262 HB2 LEU 35 1HB LEU 35 -11.533 -2.955 -6.773
263 HB3 LEU 35 2HB LEU 35 -13.253 -3.360 -6.572
264 HG LEU 35 HG LEU 35 -12.107 -0.770 -7.686
265 HD11 LEU 35 1HD1 LEU 35 -13.246 -1.499 -9.800
266 HD12 LEU 35 2HD1 LEU 35 -12.031 -2.690 -9.276
267 HD13 LEU 35 3HD1 LEU 35 -13.761 -2.995 -8.988
268 HD21 LEU 35 3HD2 LEU 35 -14.098 -0.335 -6.372
269 HD22 LEU 35 1HD2 LEU 35 -14.455 -0.127 -8.103
270 HD23 LEU 35 2HD2 LEU 35 -14.991 -1.598 -7.252
271 H SER 36 H SER 36 -10.095 -2.572 -4.096
272 HA SER 36 HA SER 36 -10.757 -5.240 -3.101
273 HB2 SER 36 1HB SER 36 -8.595 -4.726 -3.770
274 HB3 SER 36 2HB SER 36 -8.469 -3.455 -2.532
275 HG SER 36 HG SER 36 -7.559 -5.446 -1.858
Start of MODEL 6
1 H1 SER 1 H SER 1 9.374 15.079 13.031
2 HA SER 1 HA SER 1 8.591 14.230 10.199
3 HB2 SER 1 1HB SER 1 10.881 14.430 10.036
4 HB3 SER 1 2HB SER 1 11.138 13.033 11.107
5 HG SER 1 HG SER 1 9.959 11.796 9.525
6 H GLN 2 H GLN 2 6.777 13.006 10.327
7 HA GLN 2 HA GLN 2 6.613 10.653 12.065
8 HB2 GLN 2 1HB GLN 2 4.820 11.712 9.869
9 HB3 GLN 2 2HB GLN 2 4.446 10.311 10.900
10 HG2 GLN 2 1HG GLN 2 4.509 12.091 12.972
11 HG3 GLN 2 2HG GLN 2 4.854 13.095 11.543
12 HE21 GLN 2 2HE2 GLN 2 2.731 13.560 13.357
13 HE22 GLN 2 1HE2 GLN 2 1.237 13.331 12.510
14 H HIS 3 H HIS 3 5.945 8.537 11.238
15 HA HIS 3 HA HIS 3 8.018 7.552 9.490
16 HB2 HIS 3 1HB HIS 3 5.506 6.247 10.621
17 HB3 HIS 3 2HB HIS 3 6.732 5.379 9.668
18 HD2 HIS 3 HD2 HIS 3 9.048 7.405 11.745
19 HE1 HIS 3 HE1 HIS 3 7.783 4.239 14.279
20 HE2 HIS 3 HE2 HIS 3 9.521 6.167 13.865
21 H GLY 4 H GLY 4 7.962 6.676 7.468
22 HA2 GLY 4 1HA GLY 4 5.937 7.907 5.708
23 HA3 GLY 4 2HA GLY 4 7.436 7.094 5.204
24 H ARG 5 H ARG 5 5.368 6.452 3.724
25 HA ARG 5 HA ARG 5 3.964 4.100 4.872
26 HB2 ARG 5 1HB ARG 5 2.676 5.713 3.654
27 HB3 ARG 5 2HB ARG 5 3.662 5.408 2.206
28 HG2 ARG 5 1HG ARG 5 2.900 3.056 2.204
29 HG3 ARG 5 2HG ARG 5 1.874 3.405 3.617
30 HD2 ARG 5 1HD ARG 5 0.602 4.983 2.299
31 HD3 ARG 5 2HD ARG 5 1.627 4.633 0.889
32 HE ARG 5 HE ARG 5 0.242 2.202 1.806
33 HH11 ARG 5 1HH1 ARG 5 -0.243 5.142 -0.005
34 HH12 ARG 5 2HH1 ARG 5 -1.501 4.362 -0.945
35 HH21 ARG 5 1HH2 ARG 5 -1.202 1.298 0.744
36 HH22 ARG 5 2HH2 ARG 5 -2.049 2.171 -0.519
37 H THR 6 H THR 6 4.278 2.046 4.371
38 HA THR 6 HA THR 6 6.891 1.326 3.383
39 HB THR 6 HB THR 6 4.450 -0.455 3.773
40 HG1 THR 6 HG1 THR 6 5.071 0.691 5.687
41 HG21 THR 6 1HG2 THR 6 6.134 -2.242 4.041
42 HG22 THR 6 2HG2 THR 6 6.258 -1.480 2.436
43 HG23 THR 6 3HG2 THR 6 7.430 -1.069 3.711
44 H GLN 7 H GLN 7 3.692 1.424 1.904
45 HA GLN 7 HA GLN 7 4.470 0.076 -0.531
46 HB2 GLN 7 1HB GLN 7 2.136 0.401 0.245
47 HB3 GLN 7 2HB GLN 7 2.312 2.145 -0.063
48 HG2 GLN 7 1HG GLN 7 1.195 1.198 -2.203
49 HG3 GLN 7 2HG GLN 7 2.919 1.637 -2.243
50 HE21 GLN 7 2HE2 GLN 7 3.236 0.305 -4.073
51 HE22 GLN 7 1HE2 GLN 7 3.309 -1.420 -3.932
52 H ASP 8 H ASP 8 4.682 3.404 0.583
53 HA ASP 8 HA ASP 8 5.164 4.454 -2.111
54 HB2 ASP 8 1HB ASP 8 5.359 5.772 0.664
55 HB3 ASP 8 2HB ASP 8 5.760 6.451 -0.933
56 H GLU 9 H GLU 9 7.131 3.638 0.721
57 HA GLU 9 HA GLU 9 9.565 4.122 -0.967
58 HB2 GLU 9 1HB GLU 9 9.153 4.743 1.963
59 HB3 GLU 9 2HB GLU 9 10.709 4.820 1.101
60 HG2 GLU 9 1HG GLU 9 9.710 6.655 -0.385
61 HG3 GLU 9 2HG GLU 9 8.250 6.444 0.607
62 H ASN 10 H ASN 10 11.403 2.886 -0.497
63 HA ASN 10 HA ASN 10 10.697 0.109 -0.114
64 HB2 ASN 10 1HB ASN 10 13.566 1.289 -0.365
65 HB3 ASN 10 2HB ASN 10 12.858 -0.331 -0.149
66 HD21 ASN 10 2HD2 ASN 10 14.424 0.981 -2.343
67 HD22 ASN 10 1HD2 ASN 10 13.491 0.701 -3.775
68 HA PRO 11 HA PRO 11 11.160 -0.448 4.115
69 HB2 PRO 11 1HB PRO 11 11.947 -2.856 4.037
70 HB3 PRO 11 2HB PRO 11 10.412 -2.391 3.755
71 HG2 PRO 11 1HG PRO 11 12.176 -3.117 1.980
72 HG3 PRO 11 2HG PRO 11 10.589 -3.491 1.981
73 HD2 PRO 11 1HD PRO 11 11.523 -1.709 0.513
74 HD3 PRO 11 2HD PRO 11 10.062 -1.582 1.228
75 H VAL 12 H VAL 12 13.721 -1.154 1.961
76 HA VAL 12 HA VAL 12 15.858 -1.170 3.943
77 HB VAL 12 HB VAL 12 15.851 -0.504 0.970
78 HG11 VAL 12 1HG1 VAL 12 18.305 -0.768 1.119
79 HG12 VAL 12 2HG1 VAL 12 17.741 0.577 2.140
80 HG13 VAL 12 3HG1 VAL 12 18.175 -0.983 2.881
81 HG21 VAL 12 3HG2 VAL 12 15.227 -2.798 1.433
82 HG22 VAL 12 1HG2 VAL 12 16.851 -2.718 0.711
83 HG23 VAL 12 2HG2 VAL 12 16.669 -3.004 2.457
84 H VAL 13 H VAL 13 14.374 1.396 1.987
85 HA VAL 13 HA VAL 13 15.998 3.532 3.084
86 HB VAL 13 HB VAL 13 13.178 3.522 1.931
87 HG11 VAL 13 1HG1 VAL 13 13.461 5.972 1.756
88 HG12 VAL 13 2HG1 VAL 13 13.522 5.440 3.453
89 HG13 VAL 13 3HG1 VAL 13 15.026 5.853 2.594
90 HG21 VAL 13 3HG2 VAL 13 14.874 2.864 0.331
91 HG22 VAL 13 1HG2 VAL 13 14.242 4.482 -0.048
92 HG23 VAL 13 2HG2 VAL 13 15.835 4.309 0.725
93 H HIS 14 H HIS 14 12.946 2.071 4.137
94 HA HIS 14 HA HIS 14 12.560 3.896 6.336
95 HB2 HIS 14 1HB HIS 14 11.544 1.071 5.807
96 HB3 HIS 14 2HB HIS 14 11.057 2.047 7.214
97 HD2 HIS 14 HD2 HIS 14 9.469 1.218 3.939
98 HE1 HIS 14 HE1 HIS 14 8.530 5.300 4.647
99 HE2 HIS 14 HE2 HIS 14 8.000 3.127 3.266
100 H PHE 15 H PHE 15 14.293 0.830 6.012
101 HA PHE 15 HA PHE 15 14.936 0.426 8.751
102 HB2 PHE 15 1HB PHE 15 15.436 -1.268 7.050
103 HB3 PHE 15 2HB PHE 15 16.584 -0.168 6.255
104 HD1 PHE 15 HD1 PHE 15 15.934 -1.951 9.453
105 HD2 PHE 15 HD2 PHE 15 18.806 -0.164 6.842
106 HE1 PHE 15 HE1 PHE 15 17.763 -2.851 10.851
107 HE2 PHE 15 HE2 PHE 15 20.638 -1.065 8.237
108 HZ PHE 15 HZ PHE 15 20.115 -2.407 10.243
109 H PHE 16 H PHE 16 16.785 2.225 6.273
110 HA PHE 16 HA PHE 16 18.771 3.249 8.037
111 HB2 PHE 16 1HB PHE 16 18.994 3.443 5.603
112 HB3 PHE 16 2HB PHE 16 17.558 4.487 5.528
113 HD1 PHE 16 HD1 PHE 16 21.036 4.269 6.771
114 HD2 PHE 16 HD2 PHE 16 17.702 6.784 5.869
115 HE1 PHE 16 HE1 PHE 16 22.472 6.264 7.036
116 HE2 PHE 16 HE2 PHE 16 19.135 8.781 6.131
117 HZ PHE 16 HZ PHE 16 21.521 8.521 6.716
118 H LYS 17 H LYS 17 15.603 4.610 7.127
119 HA LYS 17 HA LYS 17 15.971 7.044 8.625
120 HB2 LYS 17 1HB LYS 17 13.540 5.593 7.589
121 HB3 LYS 17 2HB LYS 17 13.450 7.141 8.463
122 HG2 LYS 17 1HG LYS 17 14.884 8.177 6.723
123 HG3 LYS 17 2HG LYS 17 14.887 6.635 5.836
124 HD2 LYS 17 1HD LYS 17 12.489 6.749 5.518
125 HD3 LYS 17 2HD LYS 17 12.385 8.199 6.544
126 HE2 LYS 17 1HE LYS 17 13.787 9.429 4.932
127 HE3 LYS 17 2HE LYS 17 13.854 7.984 3.899
128 HZ1 LYS 17 3HZ LYS 17 11.407 9.468 4.611
129 HZ2 LYS 17 1HZ LYS 17 12.176 9.531 3.154
130 HZ3 LYS 17 2HZ LYS 17 11.468 8.127 3.653
131 H ASN 18 H ASN 18 14.846 3.845 9.491
132 HA ASN 18 HA ASN 18 13.697 4.691 12.042
133 HB2 ASN 18 1HB ASN 18 14.340 1.802 11.080
134 HB3 ASN 18 2HB ASN 18 13.792 2.530 12.609
135 HD21 ASN 18 2HD2 ASN 18 12.510 0.663 10.685
136 HD22 ASN 18 1HD2 ASN 18 10.990 1.394 10.292
137 H ILE 19 H ILE 19 16.862 4.247 10.901
138 HA ILE 19 HA ILE 19 17.951 3.787 13.637
139 HB ILE 19 HB ILE 19 19.288 4.132 10.915
140 HG12 ILE 19 1HG1 ILE 19 19.198 1.716 12.696
141 HG13 ILE 19 2HG1 ILE 19 18.037 2.026 11.385
142 HG21 ILE 19 1HG2 ILE 19 21.384 3.553 12.092
143 HG22 ILE 19 2HG2 ILE 19 20.686 5.060 12.731
144 HG23 ILE 19 3HG2 ILE 19 20.511 3.543 13.643
145 HD11 ILE 19 3HD1 ILE 19 21.045 1.728 11.064
146 HD12 ILE 19 1HD1 ILE 19 19.827 0.502 10.647
147 HD13 ILE 19 2HD1 ILE 19 19.883 2.039 9.752
148 H VAL 20 H VAL 20 17.820 6.324 11.171
149 HA VAL 20 HA VAL 20 19.371 8.142 12.960
150 HB VAL 20 HB VAL 20 19.312 9.696 11.079
151 HG11 VAL 20 1HG1 VAL 20 20.526 8.361 9.390
152 HG12 VAL 20 2HG1 VAL 20 21.042 7.932 11.038
153 HG13 VAL 20 3HG1 VAL 20 19.932 6.864 10.147
154 HG21 VAL 20 3HG2 VAL 20 17.057 9.269 10.304
155 HG22 VAL 20 1HG2 VAL 20 18.222 9.134 8.966
156 HG23 VAL 20 2HG2 VAL 20 17.546 7.665 9.708
157 H THR 21 H THR 21 16.126 7.343 12.326
158 HA THR 21 HA THR 21 15.325 9.788 13.867
159 HB THR 21 HB THR 21 13.702 8.375 11.708
160 HG1 THR 21 HG1 THR 21 14.008 10.405 10.613
161 HG21 THR 21 1HG2 THR 21 12.104 10.226 12.059
162 HG22 THR 21 2HG2 THR 21 12.328 9.282 13.551
163 HG23 THR 21 3HG2 THR 21 13.127 10.861 13.368
164 HA PRO 22 HA PRO 22 13.915 6.888 16.711
165 HB2 PRO 22 1HB PRO 22 12.735 8.556 18.188
166 HB3 PRO 22 2HB PRO 22 14.358 8.426 18.103
167 HG2 PRO 22 1HG PRO 22 12.878 10.289 17.038
168 HG3 PRO 22 2HG PRO 22 14.328 10.492 17.757
169 HD2 PRO 22 1HD PRO 22 14.210 10.434 15.288
170 HD3 PRO 22 2HD PRO 22 15.448 9.730 16.083
171 H ARG 23 H ARG 23 11.823 6.311 17.915
172 HA ARG 23 HA ARG 23 9.867 5.744 15.909
173 HB2 ARG 23 1HB ARG 23 9.711 5.641 18.884
174 HB3 ARG 23 2HB ARG 23 8.398 5.148 17.789
175 HG2 ARG 23 1HG ARG 23 9.850 3.445 16.795
176 HG3 ARG 23 2HG ARG 23 11.186 3.951 17.857
177 HD2 ARG 23 1HD ARG 23 8.566 2.921 18.878
178 HD3 ARG 23 2HD ARG 23 9.957 1.877 18.501
179 HE ARG 23 HE ARG 23 10.877 3.792 20.439
180 HH11 ARG 23 1HH1 ARG 23 8.472 1.271 20.301
181 HH12 ARG 23 2HH1 ARG 23 8.668 0.981 22.018
182 HH21 ARG 23 1HH2 ARG 23 11.107 3.477 22.408
183 HH22 ARG 23 2HH2 ARG 23 10.170 2.239 23.221
184 H THR 24 H THR 24 8.520 6.994 14.914
185 HA THR 24 HA THR 24 7.193 9.171 16.492
186 HB THR 24 HB THR 24 7.127 10.553 14.450
187 HG1 THR 24 HG1 THR 24 8.442 9.860 12.655
188 HG21 THR 24 1HG2 THR 24 9.518 11.160 14.351
189 HG22 THR 24 2HG2 THR 24 9.003 10.861 16.028
190 HG23 THR 24 3HG2 THR 24 9.941 9.629 15.152
191 HA PRO 25 HA PRO 25 3.328 7.892 15.351
192 HB2 PRO 25 1HB PRO 25 3.034 10.287 14.059
193 HB3 PRO 25 2HB PRO 25 2.101 9.573 15.188
194 HG2 PRO 25 1HG PRO 25 3.241 11.736 15.890
195 HG3 PRO 25 2HG PRO 25 3.313 10.245 16.912
196 HD2 PRO 25 1HD PRO 25 5.265 11.008 14.494
197 HD3 PRO 25 2HD PRO 25 5.795 10.700 16.199
198 HA PRO 26 HA PRO 26 3.615 6.185 11.438
199 HB2 PRO 26 1HB PRO 26 1.345 5.110 11.321
200 HB3 PRO 26 2HB PRO 26 2.526 4.583 12.314
201 HG2 PRO 26 1HG PRO 26 0.404 5.939 12.987
202 HG3 PRO 26 2HG PRO 26 1.072 4.705 13.819
203 HD2 PRO 26 1HD PRO 26 1.571 6.997 14.579
204 HD3 PRO 26 2HD PRO 26 2.740 5.859 14.594
205 HA PRO 27 HA PRO 27 1.673 8.693 8.547
206 HB2 PRO 27 1HB PRO 27 1.438 7.159 6.580
207 HB3 PRO 27 2HB PRO 27 2.885 7.671 7.125
208 HG2 PRO 27 1HG PRO 27 1.846 5.301 7.434
209 HG3 PRO 27 2HG PRO 27 3.409 5.643 7.116
210 HD2 PRO 27 1HD PRO 27 2.857 5.164 9.465
211 HD3 PRO 27 2HD PRO 27 3.917 6.357 9.122
212 H SER 28 H SER 28 -0.247 9.082 7.169
213 HA SER 28 HA SER 28 -2.733 8.289 8.358
214 HB2 SER 28 1HB SER 28 -2.562 10.206 7.079
215 HB3 SER 28 2HB SER 28 -2.143 9.264 5.630
216 HG SER 28 HG SER 28 -4.368 9.800 5.729
217 H GLN 29 H GLN 29 -4.255 6.760 7.781
218 HA GLN 29 HA GLN 29 -3.404 4.159 7.274
219 HB2 GLN 29 1HB GLN 29 -5.650 4.886 8.088
220 HB3 GLN 29 2HB GLN 29 -6.052 5.338 6.415
221 HG2 GLN 29 1HG GLN 29 -5.713 2.702 5.828
222 HG3 GLN 29 2HG GLN 29 -5.349 2.785 7.567
223 HE21 GLN 29 2HE2 GLN 29 -6.951 2.190 8.861
224 HE22 GLN 29 1HE2 GLN 29 -8.642 2.283 8.499
225 H GLY 30 H GLY 30 -2.479 3.177 5.678
226 HA2 GLY 30 1HA GLY 30 -2.485 4.401 3.005
227 HA3 GLY 30 2HA GLY 30 -1.547 2.983 3.532
228 H LYS 31 H LYS 31 -4.030 0.590 2.687
229 HA LYS 31 HA LYS 31 -1.997 1.538 4.660
230 HB2 LYS 31 1HB LYS 31 -3.287 -1.162 4.238
231 HB3 LYS 31 2HB LYS 31 -2.070 -0.780 5.478
232 HG2 LYS 31 1HG LYS 31 -3.622 0.827 6.510
233 HG3 LYS 31 2HG LYS 31 -4.839 0.451 5.268
234 HD2 LYS 31 1HD LYS 31 -4.921 -1.877 6.028
235 HD3 LYS 31 2HD LYS 31 -3.668 -1.535 7.244
236 HE2 LYS 31 1HE LYS 31 -5.168 0.109 8.310
237 HE3 LYS 31 2HE LYS 31 -6.425 -0.276 7.111
238 HZ1 LYS 31 3HZ LYS 31 -5.278 -2.170 9.061
239 HZ2 LYS 31 1HZ LYS 31 -6.765 -1.466 9.170
240 HZ3 LYS 31 2HZ LYS 31 -6.443 -2.527 7.950
241 H GLY 32 H GLY 32 0.026 0.471 4.849
242 HA2 GLY 32 1HA GLY 32 1.126 -0.196 2.172
243 HA3 GLY 32 2HA GLY 32 2.060 0.264 3.615
244 H ARG 33 H ARG 33 3.358 -1.637 2.926
245 HA ARG 33 HA ARG 33 2.183 -4.295 3.373
246 HB2 ARG 33 1HB ARG 33 4.992 -3.430 2.853
247 HB3 ARG 33 2HB ARG 33 4.455 -5.110 3.086
248 HG2 ARG 33 1HG ARG 33 3.222 -5.117 1.078
249 HG3 ARG 33 2HG ARG 33 3.258 -3.342 0.952
250 HD2 ARG 33 1HD ARG 33 5.666 -5.113 0.700
251 HD3 ARG 33 2HD ARG 33 4.679 -4.541 -0.665
252 HE ARG 33 HE ARG 33 5.652 -2.200 0.714
253 HH11 ARG 33 1HH1 ARG 33 6.990 -4.884 -1.066
254 HH12 ARG 33 2HH1 ARG 33 8.323 -3.875 -1.595
255 HH21 ARG 33 1HH2 ARG 33 7.177 -1.036 0.124
256 HH22 ARG 33 2HH2 ARG 33 8.431 -1.682 -0.917
257 H GLY 34 H GLY 34 3.751 -1.866 5.272
258 HA2 GLY 34 1HA GLY 34 3.590 -1.793 7.622
259 HA3 GLY 34 2HA GLY 34 3.174 -3.523 7.640
260 H LEU 35 H LEU 35 5.948 -1.880 6.116
261 HA LEU 35 HA LEU 35 7.753 -3.438 7.936
262 HB2 LEU 35 1HB LEU 35 8.152 -2.382 5.213
263 HB3 LEU 35 2HB LEU 35 9.428 -3.303 6.040
264 HG LEU 35 HG LEU 35 6.722 -4.364 5.141
265 HD11 LEU 35 1HD1 LEU 35 8.091 -5.768 3.575
266 HD12 LEU 35 2HD1 LEU 35 8.342 -4.033 3.275
267 HD13 LEU 35 3HD1 LEU 35 9.563 -4.967 4.170
268 HD21 LEU 35 3HD2 LEU 35 7.426 -5.401 7.216
269 HD22 LEU 35 1HD2 LEU 35 7.560 -6.567 5.879
270 HD23 LEU 35 2HD2 LEU 35 9.020 -5.777 6.521
271 H SER 36 H SER 36 6.744 -0.337 6.907
272 HA SER 36 HA SER 36 9.061 1.287 7.387
273 HB2 SER 36 1HB SER 36 7.174 2.105 6.302
274 HB3 SER 36 2HB SER 36 6.195 1.911 7.774
275 HG SER 36 HG SER 36 7.044 4.043 7.471
Start of MODEL 7
1 H1 SER 1 H SER 1 -1.677 -1.542 9.740
2 HA SER 1 HA SER 1 -3.343 0.735 8.557
3 HB2 SER 1 1HB SER 1 -1.820 1.879 9.842
4 HB3 SER 1 2HB SER 1 -0.470 1.388 8.794
5 HG SER 1 HG SER 1 -1.533 2.513 7.092
6 H GLN 2 H GLN 2 -3.998 0.719 6.506
7 HA GLN 2 HA GLN 2 -2.517 -0.653 4.405
8 HB2 GLN 2 1HB GLN 2 -4.952 -0.568 4.423
9 HB3 GLN 2 2HB GLN 2 -4.902 1.208 4.329
10 HG2 GLN 2 1HG GLN 2 -5.248 0.514 1.882
11 HG3 GLN 2 2HG GLN 2 -3.590 0.925 2.377
12 HE21 GLN 2 2HE2 GLN 2 -2.499 -0.259 0.861
13 HE22 GLN 2 1HE2 GLN 2 -2.551 -1.989 0.770
14 H HIS 3 H HIS 3 -1.064 0.042 3.052
15 HA HIS 3 HA HIS 3 -0.574 2.999 2.937
16 HB2 HIS 3 1HB HIS 3 1.408 0.737 2.420
17 HB3 HIS 3 2HB HIS 3 1.761 2.481 2.439
18 HD2 HIS 3 HD2 HIS 3 1.564 -0.528 4.967
19 HE1 HIS 3 HE1 HIS 3 2.107 3.098 7.113
20 HE2 HIS 3 HE2 HIS 3 2.081 0.470 7.201
21 H GLY 4 H GLY 4 0.579 3.666 0.891
22 HA2 GLY 4 1HA GLY 4 -1.260 3.064 -1.275
23 HA3 GLY 4 2HA GLY 4 0.126 4.176 -1.332
24 H ARG 5 H ARG 5 -0.757 2.227 -3.329
25 HA ARG 5 HA ARG 5 1.178 0.028 -3.284
26 HB2 ARG 5 1HB ARG 5 -0.637 1.026 -5.432
27 HB3 ARG 5 2HB ARG 5 0.458 -0.371 -5.573
28 HG2 ARG 5 1HG ARG 5 -0.730 -1.490 -3.736
29 HG3 ARG 5 2HG ARG 5 -1.823 -0.092 -3.590
30 HD2 ARG 5 1HD ARG 5 -2.937 -1.821 -4.743
31 HD3 ARG 5 2HD ARG 5 -2.571 -0.514 -5.893
32 HE ARG 5 HE ARG 5 -0.579 -2.655 -6.131
33 HH11 ARG 5 1HH1 ARG 5 -3.876 -1.890 -6.966
34 HH12 ARG 5 2HH1 ARG 5 -3.777 -2.952 -8.357
35 HH21 ARG 5 1HH2 ARG 5 -0.452 -3.881 -7.715
36 HH22 ARG 5 2HH2 ARG 5 -1.825 -4.088 -8.785
37 H THR 6 H THR 6 1.134 3.317 -4.401
38 HA THR 6 HA THR 6 3.869 2.865 -5.554
39 HB THR 6 HB THR 6 3.541 4.943 -6.829
40 HG1 THR 6 HG1 THR 6 0.910 4.900 -5.705
41 HG21 THR 6 1HG2 THR 6 1.810 4.147 -8.403
42 HG22 THR 6 2HG2 THR 6 2.856 2.809 -7.870
43 HG23 THR 6 3HG2 THR 6 1.228 2.995 -7.178
44 H GLN 7 H GLN 7 2.186 4.067 -2.919
45 HA GLN 7 HA GLN 7 4.187 6.226 -2.414
46 HB2 GLN 7 1HB GLN 7 1.656 5.546 -0.908
47 HB3 GLN 7 2HB GLN 7 2.679 6.986 -0.700
48 HG2 GLN 7 1HG GLN 7 0.800 6.509 -3.171
49 HG3 GLN 7 2HG GLN 7 0.837 7.542 -1.723
50 HE21 GLN 7 2HE2 GLN 7 1.849 7.123 -4.977
51 HE22 GLN 7 1HE2 GLN 7 2.845 8.537 -5.099
52 H ASP 8 H ASP 8 3.750 3.000 -1.777
53 HA ASP 8 HA ASP 8 4.644 2.850 0.959
54 HB2 ASP 8 1HB ASP 8 3.630 0.894 -0.425
55 HB3 ASP 8 2HB ASP 8 5.188 1.010 -1.281
56 H GLU 9 H GLU 9 6.414 3.618 1.769
57 HA GLU 9 HA GLU 9 8.724 4.327 0.195
58 HB2 GLU 9 1HB GLU 9 8.331 3.918 3.162
59 HB3 GLU 9 2HB GLU 9 9.829 4.534 2.422
60 HG2 GLU 9 1HG GLU 9 8.490 6.519 1.523
61 HG3 GLU 9 2HG GLU 9 7.100 5.754 2.326
62 H ASN 10 H ASN 10 10.672 3.409 -0.100
63 HA ASN 10 HA ASN 10 10.906 0.590 -0.248
64 HB2 ASN 10 1HB ASN 10 12.607 2.446 -1.311
65 HB3 ASN 10 2HB ASN 10 13.028 2.360 0.417
66 HD21 ASN 10 2HD2 ASN 10 14.529 1.723 -2.073
67 HD22 ASN 10 1HD2 ASN 10 15.106 0.106 -1.848
68 HA PRO 11 HA PRO 11 11.004 -0.603 3.900
69 HB2 PRO 11 1HB PRO 11 12.114 -2.760 2.631
70 HB3 PRO 11 2HB PRO 11 10.912 -2.683 3.729
71 HG2 PRO 11 1HG PRO 11 10.250 -3.484 1.407
72 HG3 PRO 11 2HG PRO 11 9.330 -2.184 2.266
73 HD2 PRO 11 1HD PRO 11 11.594 -1.117 0.148
74 HD3 PRO 11 2HD PRO 11 10.109 -1.269 0.804
75 H VAL 12 H VAL 12 13.714 -0.889 1.785
76 HA VAL 12 HA VAL 12 15.706 -1.167 3.907
77 HB VAL 12 HB VAL 12 15.939 -0.324 0.989
78 HG11 VAL 12 1HG1 VAL 12 18.362 -0.713 1.288
79 HG12 VAL 12 2HG1 VAL 12 17.788 0.593 2.351
80 HG13 VAL 12 3HG1 VAL 12 18.099 -1.028 3.019
81 HG21 VAL 12 3HG2 VAL 12 15.184 -2.609 1.263
82 HG22 VAL 12 1HG2 VAL 12 16.857 -2.564 0.659
83 HG23 VAL 12 2HG2 VAL 12 16.538 -2.944 2.369
84 H VAL 13 H VAL 13 14.553 1.583 1.969
85 HA VAL 13 HA VAL 13 16.269 3.521 3.289
86 HB VAL 13 HB VAL 13 13.622 3.835 1.813
87 HG11 VAL 13 1HG1 VAL 13 14.200 6.238 1.716
88 HG12 VAL 13 2HG1 VAL 13 14.004 5.693 3.399
89 HG13 VAL 13 3HG1 VAL 13 15.633 5.933 2.726
90 HG21 VAL 13 3HG2 VAL 13 15.405 2.993 0.406
91 HG22 VAL 13 1HG2 VAL 13 15.010 4.677 -0.014
92 HG23 VAL 13 2HG2 VAL 13 16.472 4.316 0.934
93 H HIS 14 H HIS 14 13.018 2.312 3.971
94 HA HIS 14 HA HIS 14 12.498 4.172 6.111
95 HB2 HIS 14 1HB HIS 14 10.714 2.820 4.989
96 HB3 HIS 14 2HB HIS 14 11.397 1.352 5.729
97 HD2 HIS 14 HD2 HIS 14 10.211 0.732 8.201
98 HE1 HIS 14 HE1 HIS 14 8.653 4.624 8.895
99 HE2 HIS 14 HE2 HIS 14 8.813 2.136 9.729
100 H PHE 15 H PHE 15 13.938 0.922 6.046
101 HA PHE 15 HA PHE 15 14.427 0.659 8.836
102 HB2 PHE 15 1HB PHE 15 14.828 -1.189 7.268
103 HB3 PHE 15 2HB PHE 15 16.122 -0.263 6.473
104 HD1 PHE 15 HD1 PHE 15 15.131 -1.771 9.722
105 HD2 PHE 15 HD2 PHE 15 18.300 -0.416 7.199
106 HE1 PHE 15 HE1 PHE 15 16.785 -2.747 11.278
107 HE2 PHE 15 HE2 PHE 15 19.957 -1.394 8.750
108 HZ PHE 15 HZ PHE 15 19.199 -2.559 10.792
109 H PHE 16 H PHE 16 16.473 2.166 6.322
110 HA PHE 16 HA PHE 16 18.501 3.147 8.056
111 HB2 PHE 16 1HB PHE 16 18.750 3.267 5.628
112 HB3 PHE 16 2HB PHE 16 17.349 4.355 5.506
113 HD1 PHE 16 HD1 PHE 16 20.804 4.065 6.804
114 HD2 PHE 16 HD2 PHE 16 17.576 6.655 5.743
115 HE1 PHE 16 HE1 PHE 16 22.306 6.019 7.010
116 HE2 PHE 16 HE2 PHE 16 19.074 8.610 5.946
117 HZ PHE 16 HZ PHE 16 21.440 8.292 6.581
118 H LYS 17 H LYS 17 15.426 4.672 7.084
119 HA LYS 17 HA LYS 17 15.812 7.082 8.578
120 HB2 LYS 17 1HB LYS 17 13.348 5.593 7.683
121 HB3 LYS 17 2HB LYS 17 13.286 7.151 8.541
122 HG2 LYS 17 1HG LYS 17 14.643 8.164 6.714
123 HG3 LYS 17 2HG LYS 17 14.571 6.615 5.842
124 HD2 LYS 17 1HD LYS 17 12.119 6.761 5.765
125 HD3 LYS 17 2HD LYS 17 12.179 8.300 6.656
126 HE2 LYS 17 1HE LYS 17 13.536 9.268 4.809
127 HE3 LYS 17 2HE LYS 17 13.342 7.746 3.909
128 HZ1 LYS 17 3HZ LYS 17 11.149 9.529 4.756
129 HZ2 LYS 17 1HZ LYS 17 11.738 9.396 3.222
130 HZ3 LYS 17 2HZ LYS 17 10.968 8.117 3.922
131 H ASN 18 H ASN 18 14.603 3.908 9.517
132 HA ASN 18 HA ASN 18 13.618 4.660 12.107
133 HB2 ASN 18 1HB ASN 18 14.649 1.858 11.227
134 HB3 ASN 18 2HB ASN 18 14.033 2.562 12.741
135 HD21 ASN 18 2HD2 ASN 18 13.005 0.458 10.892
136 HD22 ASN 18 1HD2 ASN 18 11.383 0.942 10.524
137 H ILE 19 H ILE 19 16.849 3.960 10.910
138 HA ILE 19 HA ILE 19 18.020 3.784 13.597
139 HB ILE 19 HB ILE 19 19.250 4.084 10.821
140 HG12 ILE 19 1HG1 ILE 19 19.246 1.721 12.677
141 HG13 ILE 19 2HG1 ILE 19 18.062 1.976 11.374
142 HG21 ILE 19 1HG2 ILE 19 21.402 3.571 11.925
143 HG22 ILE 19 2HG2 ILE 19 20.707 5.085 12.549
144 HG23 ILE 19 3HG2 ILE 19 20.593 3.592 13.511
145 HD11 ILE 19 3HD1 ILE 19 21.068 1.706 11.017
146 HD12 ILE 19 1HD1 ILE 19 19.859 0.451 10.657
147 HD13 ILE 19 2HD1 ILE 19 19.883 1.960 9.714
148 H VAL 20 H VAL 20 17.873 6.280 11.076
149 HA VAL 20 HA VAL 20 19.496 8.082 12.821
150 HB VAL 20 HB VAL 20 19.570 9.557 10.879
151 HG11 VAL 20 1HG1 VAL 20 20.744 8.088 9.274
152 HG12 VAL 20 2HG1 VAL 20 21.199 7.697 10.949
153 HG13 VAL 20 3HG1 VAL 20 20.050 6.658 10.072
154 HG21 VAL 20 3HG2 VAL 20 17.313 9.225 10.065
155 HG22 VAL 20 1HG2 VAL 20 18.499 8.972 8.763
156 HG23 VAL 20 2HG2 VAL 20 17.723 7.573 9.544
157 H THR 21 H THR 21 16.220 7.490 11.979
158 HA THR 21 HA THR 21 15.478 9.922 13.552
159 HB THR 21 HB THR 21 14.034 8.997 11.036
160 HG1 THR 21 HG1 THR 21 15.718 11.268 11.477
161 HG21 THR 21 1HG2 THR 21 12.782 11.107 11.321
162 HG22 THR 21 2HG2 THR 21 12.591 10.051 12.742
163 HG23 THR 21 3HG2 THR 21 13.693 11.446 12.812
164 HA PRO 22 HA PRO 22 13.746 6.381 15.563
165 HB2 PRO 22 1HB PRO 22 13.465 8.393 17.391
166 HB3 PRO 22 2HB PRO 22 14.038 6.877 17.565
167 HG2 PRO 22 1HG PRO 22 15.368 8.971 16.763
168 HG3 PRO 22 2HG PRO 22 15.912 7.797 17.756
169 HD2 PRO 22 1HD PRO 22 15.058 9.974 15.322
170 HD3 PRO 22 2HD PRO 22 16.050 8.726 15.672
171 H ARG 23 H ARG 23 12.433 9.471 14.980
172 HA ARG 23 HA ARG 23 9.669 8.403 15.457
173 HB2 ARG 23 1HB ARG 23 10.647 11.222 15.557
174 HB3 ARG 23 2HB ARG 23 8.954 10.690 15.683
175 HG2 ARG 23 1HG ARG 23 9.610 9.352 17.705
176 HG3 ARG 23 2HG ARG 23 11.216 10.114 17.616
177 HD2 ARG 23 1HD ARG 23 10.256 12.268 17.984
178 HD3 ARG 23 2HD ARG 23 8.618 11.575 17.956
179 HE ARG 23 HE ARG 23 10.056 10.373 20.168
180 HH11 ARG 23 1HH1 ARG 23 8.819 13.498 19.238
181 HH12 ARG 23 2HH1 ARG 23 8.582 13.913 20.925
182 HH21 ARG 23 1HH2 ARG 23 9.799 10.836 22.104
183 HH22 ARG 23 2HH2 ARG 23 9.142 12.396 22.560
184 H THR 24 H THR 24 11.282 7.999 13.045
185 HA THR 24 HA THR 24 10.309 9.714 10.948
186 HB THR 24 HB THR 24 12.241 8.193 10.630
187 HG1 THR 24 HG1 THR 24 10.038 7.544 8.925
188 HG21 THR 24 1HG2 THR 24 11.843 5.777 10.305
189 HG22 THR 24 2HG2 THR 24 11.403 6.282 11.955
190 HG23 THR 24 3HG2 THR 24 10.133 5.999 10.742
191 HA PRO 25 HA PRO 25 6.228 8.407 10.545
192 HB2 PRO 25 1HB PRO 25 5.866 9.294 8.220
193 HB3 PRO 25 2HB PRO 25 6.015 10.257 9.524
194 HG2 PRO 25 1HG PRO 25 7.804 9.838 7.676
195 HG3 PRO 25 2HG PRO 25 7.468 11.263 8.397
196 HD2 PRO 25 1HD PRO 25 9.438 10.004 9.188
197 HD3 PRO 25 2HD PRO 25 8.481 10.786 10.254
198 HA PRO 26 HA PRO 26 6.318 4.696 8.419
199 HB2 PRO 26 1HB PRO 26 3.859 4.269 8.161
200 HB3 PRO 26 2HB PRO 26 4.610 4.243 9.608
201 HG2 PRO 26 1HG PRO 26 3.050 6.117 8.688
202 HG3 PRO 26 2HG PRO 26 3.095 5.557 10.219
203 HD2 PRO 26 1HD PRO 26 4.300 7.658 9.778
204 HD3 PRO 26 2HD PRO 26 4.962 6.549 10.775
205 HA PRO 27 HA PRO 27 5.917 4.936 4.132
206 HB2 PRO 27 1HB PRO 27 4.223 2.798 4.306
207 HB3 PRO 27 2HB PRO 27 5.559 3.018 3.401
208 HG2 PRO 27 1HG PRO 27 5.462 2.185 5.868
209 HG3 PRO 27 2HG PRO 27 6.451 1.632 4.696
210 HD2 PRO 27 1HD PRO 27 4.834 3.053 7.290
211 HD3 PRO 27 2HD PRO 27 6.311 2.835 6.632
212 H SER 28 H SER 28 4.690 5.927 2.543
213 HA SER 28 HA SER 28 2.527 7.535 3.700
214 HB2 SER 28 1HB SER 28 3.664 7.424 0.974
215 HB3 SER 28 2HB SER 28 2.428 8.557 1.566
216 HG SER 28 HG SER 28 4.551 9.405 1.708
217 H GLN 29 H GLN 29 0.379 7.599 3.077
218 HA GLN 29 HA GLN 29 -0.707 5.046 2.028
219 HB2 GLN 29 1HB GLN 29 -2.077 7.519 3.105
220 HB3 GLN 29 2HB GLN 29 -2.872 5.990 2.664
221 HG2 GLN 29 1HG GLN 29 -1.463 4.876 4.695
222 HG3 GLN 29 2HG GLN 29 -0.890 6.560 4.688
223 HE21 GLN 29 2HE2 GLN 29 -1.979 5.277 6.949
224 HE22 GLN 29 1HE2 GLN 29 -3.476 6.052 7.351
225 H GLY 30 H GLY 30 -2.432 5.034 0.464
226 HA2 GLY 30 1HA GLY 30 -1.675 6.800 -1.796
227 HA3 GLY 30 2HA GLY 30 -2.597 5.282 -1.899
228 H LYS 31 H LYS 31 -4.182 6.303 -3.192
229 HA LYS 31 HA LYS 31 -5.664 8.614 -2.181
230 HB2 LYS 31 1HB LYS 31 -6.163 6.673 -4.440
231 HB3 LYS 31 2HB LYS 31 -7.192 8.077 -4.074
232 HG2 LYS 31 1HG LYS 31 -5.289 9.583 -4.487
233 HG3 LYS 31 2HG LYS 31 -4.256 8.179 -4.848
234 HD2 LYS 31 1HD LYS 31 -5.704 7.589 -6.743
235 HD3 LYS 31 2HD LYS 31 -6.761 8.973 -6.373
236 HE2 LYS 31 1HE LYS 31 -4.882 10.511 -6.768
237 HE3 LYS 31 2HE LYS 31 -3.830 9.127 -7.143
238 HZ1 LYS 31 3HZ LYS 31 -6.241 9.907 -8.654
239 HZ2 LYS 31 1HZ LYS 31 -4.684 10.162 -9.136
240 HZ3 LYS 31 2HZ LYS 31 -5.265 8.623 -9.003
241 H GLY 32 H GLY 32 -5.827 5.197 -1.760
242 HA2 GLY 32 1HA GLY 32 -8.640 5.168 -0.966
243 HA3 GLY 32 2HA GLY 32 -7.466 3.842 -0.796
244 H ARG 33 H ARG 33 -8.948 3.901 1.279
245 HA ARG 33 HA ARG 33 -8.066 5.854 3.303
246 HB2 ARG 33 1HB ARG 33 -9.912 3.517 3.470
247 HB3 ARG 33 2HB ARG 33 -9.482 4.587 4.825
248 HG2 ARG 33 1HG ARG 33 -10.413 6.508 3.567
249 HG3 ARG 33 2HG ARG 33 -10.901 5.394 2.267
250 HD2 ARG 33 1HD ARG 33 -12.379 4.252 3.793
251 HD3 ARG 33 2HD ARG 33 -11.881 5.346 5.104
252 HE ARG 33 HE ARG 33 -13.067 6.952 3.000
253 HH11 ARG 33 1HH1 ARG 33 -14.038 4.540 5.323
254 HH12 ARG 33 2HH1 ARG 33 -15.642 5.244 5.392
255 HH21 ARG 33 1HH2 ARG 33 -14.902 7.765 3.061
256 HH22 ARG 33 2HH2 ARG 33 -16.136 7.083 4.103
257 H GLY 34 H GLY 34 -7.009 5.407 5.218
258 HA2 GLY 34 1HA GLY 34 -4.884 3.444 5.002
259 HA3 GLY 34 2HA GLY 34 -5.226 4.496 6.396
260 H LEU 35 H LEU 35 -8.120 3.393 6.167
261 HA LEU 35 HA LEU 35 -7.602 0.992 7.857
262 HB2 LEU 35 1HB LEU 35 -9.991 2.625 7.293
263 HB3 LEU 35 2HB LEU 35 -10.065 1.293 8.469
264 HG LEU 35 HG LEU 35 -8.438 3.853 8.711
265 HD11 LEU 35 1HD1 LEU 35 -9.935 4.290 10.676
266 HD12 LEU 35 2HD1 LEU 35 -10.872 4.136 9.172
267 HD13 LEU 35 3HD1 LEU 35 -10.812 2.782 10.324
268 HD21 LEU 35 3HD2 LEU 35 -7.219 1.972 9.635
269 HD22 LEU 35 1HD2 LEU 35 -7.803 3.021 10.949
270 HD23 LEU 35 2HD2 LEU 35 -8.636 1.487 10.595
271 H SER 36 H SER 36 -8.113 1.646 4.680
272 HA SER 36 HA SER 36 -10.200 -0.120 3.816
273 HB2 SER 36 1HB SER 36 -9.297 1.512 2.427
274 HB3 SER 36 2HB SER 36 -7.718 0.695 2.430
275 HG SER 36 HG SER 36 -8.997 0.149 0.611
Start of MODEL 8
1 H1 SER 1 H SER 1 14.705 12.976 4.950
2 HA SER 1 HA SER 1 15.276 11.216 7.386
3 HB2 SER 1 1HB SER 1 15.338 12.628 9.188
4 HB3 SER 1 2HB SER 1 16.296 13.303 7.849
5 HG SER 1 HG SER 1 15.003 14.875 8.896
6 H GLN 2 H GLN 2 12.524 13.274 6.496
7 HA GLN 2 HA GLN 2 10.732 12.242 8.530
8 HB2 GLN 2 1HB GLN 2 10.388 14.399 7.438
9 HB3 GLN 2 2HB GLN 2 10.201 13.580 5.869
10 HG2 GLN 2 1HG GLN 2 7.950 12.498 6.848
11 HG3 GLN 2 2HG GLN 2 8.626 13.311 8.279
12 HE21 GLN 2 2HE2 GLN 2 5.992 13.637 7.060
13 HE22 GLN 2 1HE2 GLN 2 5.863 15.304 6.608
14 H HIS 3 H HIS 3 9.620 10.463 8.649
15 HA HIS 3 HA HIS 3 10.012 8.291 6.866
16 HB2 HIS 3 1HB HIS 3 9.092 8.257 9.290
17 HB3 HIS 3 2HB HIS 3 7.512 8.627 8.557
18 HD2 HIS 3 HD2 HIS 3 9.670 5.499 9.374
19 HE1 HIS 3 HE1 HIS 3 6.684 4.385 6.563
20 HE2 HIS 3 HE2 HIS 3 8.532 3.576 8.249
21 H GLY 4 H GLY 4 9.229 7.685 5.009
22 HA2 GLY 4 1HA GLY 4 7.278 9.483 3.705
23 HA3 GLY 4 2HA GLY 4 8.271 8.235 2.916
24 H ARG 5 H ARG 5 6.389 7.505 1.803
25 HA ARG 5 HA ARG 5 4.263 6.242 3.456
26 HB2 ARG 5 1HB ARG 5 3.626 7.621 1.575
27 HB3 ARG 5 2HB ARG 5 4.461 6.487 0.487
28 HG2 ARG 5 1HG ARG 5 2.918 4.743 0.961
29 HG3 ARG 5 2HG ARG 5 2.231 5.631 2.343
30 HD2 ARG 5 1HD ARG 5 0.679 5.697 0.583
31 HD3 ARG 5 2HD ARG 5 1.397 7.318 0.741
32 HE ARG 5 HE ARG 5 2.763 5.961 -1.423
33 HH11 ARG 5 1HH1 ARG 5 -0.431 7.164 -0.711
34 HH12 ARG 5 2HH1 ARG 5 -0.704 7.466 -2.416
35 HH21 ARG 5 1HH2 ARG 5 2.464 6.293 -3.378
36 HH22 ARG 5 2HH2 ARG 5 0.947 6.970 -3.938
37 H THR 6 H THR 6 3.786 4.117 3.517
38 HA THR 6 HA THR 6 6.007 2.330 3.476
39 HB THR 6 HB THR 6 3.030 1.686 3.389
40 HG1 THR 6 HG1 THR 6 3.079 2.191 5.442
41 HG21 THR 6 1HG2 THR 6 3.714 -0.488 4.341
42 HG22 THR 6 2HG2 THR 6 4.447 -0.231 2.739
43 HG23 THR 6 3HG2 THR 6 5.423 -0.008 4.209
44 H GLN 7 H GLN 7 3.490 2.953 1.067
45 HA GLN 7 HA GLN 7 4.338 0.731 -0.627
46 HB2 GLN 7 1HB GLN 7 2.564 3.135 -1.093
47 HB3 GLN 7 2HB GLN 7 2.860 1.864 -2.302
48 HG2 GLN 7 1HG GLN 7 1.706 0.165 -0.523
49 HG3 GLN 7 2HG GLN 7 1.696 1.721 0.339
50 HE21 GLN 7 2HE2 GLN 7 -0.567 0.023 -0.285
51 HE22 GLN 7 1HE2 GLN 7 -1.627 0.948 -1.296
52 H ASP 8 H ASP 8 4.943 4.214 -0.521
53 HA ASP 8 HA ASP 8 6.216 4.295 -3.129
54 HB2 ASP 8 1HB ASP 8 6.259 6.285 -0.783
55 HB3 ASP 8 2HB ASP 8 7.096 6.383 -2.353
56 H GLU 9 H GLU 9 7.455 4.094 0.209
57 HA GLU 9 HA GLU 9 10.213 4.382 -0.859
58 HB2 GLU 9 1HB GLU 9 9.165 4.262 1.973
59 HB3 GLU 9 2HB GLU 9 10.846 4.589 1.486
60 HG2 GLU 9 1HG GLU 9 8.432 6.424 0.955
61 HG3 GLU 9 2HG GLU 9 9.768 6.588 2.117
62 H ASN 10 H ASN 10 11.910 3.003 -0.349
63 HA ASN 10 HA ASN 10 11.159 0.175 -0.383
64 HB2 ASN 10 1HB ASN 10 14.029 1.378 -0.306
65 HB3 ASN 10 2HB ASN 10 13.324 -0.256 -0.263
66 HD21 ASN 10 2HD2 ASN 10 15.052 1.201 -2.223
67 HD22 ASN 10 1HD2 ASN 10 14.240 1.023 -3.743
68 HA PRO 11 HA PRO 11 11.320 -0.798 3.797
69 HB2 PRO 11 1HB PRO 11 12.353 -3.107 3.566
70 HB3 PRO 11 2HB PRO 11 10.803 -2.756 3.207
71 HG2 PRO 11 1HG PRO 11 12.751 -3.135 1.519
72 HG3 PRO 11 2HG PRO 11 11.213 -3.650 1.357
73 HD2 PRO 11 1HD PRO 11 12.118 -1.661 0.148
74 HD3 PRO 11 2HD PRO 11 10.595 -1.736 0.728
75 H VAL 12 H VAL 12 14.119 -1.080 1.846
76 HA VAL 12 HA VAL 12 16.042 -1.060 4.054
77 HB VAL 12 HB VAL 12 16.301 -0.288 1.117
78 HG11 VAL 12 1HG1 VAL 12 18.737 -0.391 1.525
79 HG12 VAL 12 2HG1 VAL 12 17.975 0.873 2.519
80 HG13 VAL 12 3HG1 VAL 12 18.436 -0.681 3.254
81 HG21 VAL 12 3HG2 VAL 12 15.797 -2.636 1.440
82 HG22 VAL 12 1HG2 VAL 12 17.478 -2.418 0.901
83 HG23 VAL 12 2HG2 VAL 12 17.132 -2.782 2.609
84 H VAL 13 H VAL 13 14.563 1.457 2.036
85 HA VAL 13 HA VAL 13 15.916 3.666 3.342
86 HB VAL 13 HB VAL 13 13.231 3.496 1.912
87 HG11 VAL 13 1HG1 VAL 13 13.350 5.964 1.830
88 HG12 VAL 13 2HG1 VAL 13 13.283 5.381 3.511
89 HG13 VAL 13 3HG1 VAL 13 14.830 5.926 2.817
90 HG21 VAL 13 3HG2 VAL 13 15.119 3.011 0.473
91 HG22 VAL 13 1HG2 VAL 13 14.410 4.594 0.075
92 HG23 VAL 13 2HG2 VAL 13 15.929 4.506 0.999
93 H HIS 14 H HIS 14 12.902 1.945 4.053
94 HA HIS 14 HA HIS 14 12.104 3.617 6.234
95 HB2 HIS 14 1HB HIS 14 11.602 0.676 5.617
96 HB3 HIS 14 2HB HIS 14 10.881 1.515 7.011
97 HD2 HIS 14 HD2 HIS 14 9.681 0.566 3.590
98 HE1 HIS 14 HE1 HIS 14 7.971 4.371 4.396
99 HE2 HIS 14 HE2 HIS 14 7.937 2.217 2.890
100 H PHE 15 H PHE 15 14.079 0.645 6.200
101 HA PHE 15 HA PHE 15 14.660 0.569 8.981
102 HB2 PHE 15 1HB PHE 15 15.254 -1.269 7.439
103 HB3 PHE 15 2HB PHE 15 16.440 -0.218 6.631
104 HD1 PHE 15 HD1 PHE 15 15.610 -1.873 9.839
105 HD2 PHE 15 HD2 PHE 15 18.602 0.014 7.445
106 HE1 PHE 15 HE1 PHE 15 17.350 -2.618 11.430
107 HE2 PHE 15 HE2 PHE 15 20.345 -0.732 9.031
108 HZ PHE 15 HZ PHE 15 19.718 -2.047 11.025
109 H PHE 16 H PHE 16 16.506 2.160 6.363
110 HA PHE 16 HA PHE 16 18.561 3.246 7.959
111 HB2 PHE 16 1HB PHE 16 18.642 3.372 5.519
112 HB3 PHE 16 2HB PHE 16 17.208 4.422 5.493
113 HD1 PHE 16 HD1 PHE 16 20.755 4.222 6.524
114 HD2 PHE 16 HD2 PHE 16 17.382 6.729 5.755
115 HE1 PHE 16 HE1 PHE 16 22.213 6.215 6.635
116 HE2 PHE 16 HE2 PHE 16 18.837 8.725 5.863
117 HZ PHE 16 HZ PHE 16 21.254 8.467 6.305
118 H LYS 17 H LYS 17 15.403 4.712 7.165
119 HA LYS 17 HA LYS 17 15.928 7.122 8.667
120 HB2 LYS 17 1HB LYS 17 13.401 5.808 7.675
121 HB3 LYS 17 2HB LYS 17 13.422 7.362 8.542
122 HG2 LYS 17 1HG LYS 17 14.859 8.316 6.770
123 HG3 LYS 17 2HG LYS 17 14.788 6.767 5.895
124 HD2 LYS 17 1HD LYS 17 12.349 6.983 5.689
125 HD3 LYS 17 2HD LYS 17 12.405 8.519 6.586
126 HE2 LYS 17 1HE LYS 17 13.767 9.529 4.836
127 HE3 LYS 17 2HE LYS 17 13.814 7.985 3.954
128 HZ1 LYS 17 3HZ LYS 17 11.390 9.576 4.497
129 HZ2 LYS 17 1HZ LYS 17 12.168 9.478 3.046
130 HZ3 LYS 17 2HZ LYS 17 11.433 8.143 3.679
131 H ASN 18 H ASN 18 14.660 3.973 9.522
132 HA ASN 18 HA ASN 18 13.599 4.829 12.102
133 HB2 ASN 18 1HB ASN 18 14.162 1.929 11.123
134 HB3 ASN 18 2HB ASN 18 13.646 2.668 12.658
135 HD21 ASN 18 2HD2 ASN 18 12.305 0.834 10.736
136 HD22 ASN 18 1HD2 ASN 18 10.798 1.600 10.361
137 H ILE 19 H ILE 19 16.732 4.287 10.895
138 HA ILE 19 HA ILE 19 17.843 3.800 13.625
139 HB ILE 19 HB ILE 19 19.196 4.002 10.895
140 HG12 ILE 19 1HG1 ILE 19 17.851 2.046 11.034
141 HG13 ILE 19 2HG1 ILE 19 19.577 1.624 11.116
142 HG21 ILE 19 1HG2 ILE 19 21.198 3.170 12.082
143 HG22 ILE 19 2HG2 ILE 19 20.664 4.731 12.745
144 HG23 ILE 19 3HG2 ILE 19 20.309 3.224 13.622
145 HD11 ILE 19 3HD1 ILE 19 17.663 1.757 13.473
146 HD12 ILE 19 1HD1 ILE 19 18.253 0.271 12.694
147 HD13 ILE 19 2HD1 ILE 19 19.389 1.334 13.557
148 H VAL 20 H VAL 20 17.836 6.262 11.080
149 HA VAL 20 HA VAL 20 19.690 7.944 12.697
150 HB VAL 20 HB VAL 20 19.652 9.448 10.761
151 HG11 VAL 20 1HG1 VAL 20 20.634 7.936 9.069
152 HG12 VAL 20 2HG1 VAL 20 21.209 7.528 10.704
153 HG13 VAL 20 3HG1 VAL 20 19.953 6.534 9.927
154 HG21 VAL 20 3HG2 VAL 20 17.324 9.203 10.134
155 HG22 VAL 20 1HG2 VAL 20 18.389 8.904 8.741
156 HG23 VAL 20 2HG2 VAL 20 17.627 7.537 9.587
157 H THR 21 H THR 21 16.300 7.651 12.061
158 HA THR 21 HA THR 21 15.946 9.926 13.978
159 HB THR 21 HB THR 21 13.805 10.476 12.875
160 HG1 THR 21 HG1 THR 21 13.439 9.513 10.770
161 HG21 THR 21 1HG2 THR 21 14.723 11.510 10.829
162 HG22 THR 21 2HG2 THR 21 15.842 11.701 12.201
163 HG23 THR 21 3HG2 THR 21 16.165 10.475 10.951
164 HA PRO 22 HA PRO 22 13.604 7.496 16.562
165 HB2 PRO 22 1HB PRO 22 11.599 9.321 16.203
166 HB3 PRO 22 2HB PRO 22 12.296 8.770 17.569
167 HG2 PRO 22 1HG PRO 22 13.153 10.702 16.045
168 HG3 PRO 22 2HG PRO 22 13.178 10.668 17.674
169 HD2 PRO 22 1HD PRO 22 13.615 10.602 14.315
170 HD3 PRO 22 2HD PRO 22 14.411 10.578 15.738
171 H ARG 23 H ARG 23 12.525 5.623 16.417
172 HA ARG 23 HA ARG 23 11.582 4.716 13.930
173 HB2 ARG 23 1HB ARG 23 10.839 3.808 16.672
174 HB3 ARG 23 2HB ARG 23 10.348 3.001 15.164
175 HG2 ARG 23 1HG ARG 23 12.711 2.631 14.594
176 HG3 ARG 23 2HG ARG 23 13.201 3.435 16.106
177 HD2 ARG 23 1HD ARG 23 11.517 0.957 15.981
178 HD3 ARG 23 2HD ARG 23 13.290 0.964 16.129
179 HE ARG 23 HE ARG 23 12.298 2.446 18.377
180 HH11 ARG 23 1HH1 ARG 23 11.960 -0.801 17.151
181 HH12 ARG 23 2HH1 ARG 23 11.768 -1.405 18.785
182 HH21 ARG 23 1HH2 ARG 23 12.071 1.772 20.253
183 HH22 ARG 23 2HH2 ARG 23 11.830 0.061 20.556
184 H THR 24 H THR 24 9.983 5.227 12.685
185 HA THR 24 HA THR 24 7.558 6.472 13.943
186 HB THR 24 HB THR 24 8.757 6.988 11.188
187 HG1 THR 24 HG1 THR 24 9.807 7.977 13.077
188 HG21 THR 24 1HG2 THR 24 7.002 8.716 11.013
189 HG22 THR 24 2HG2 THR 24 6.289 7.097 11.204
190 HG23 THR 24 3HG2 THR 24 6.348 8.211 12.590
191 HA PRO 25 HA PRO 25 5.502 2.924 12.578
192 HB2 PRO 25 1HB PRO 25 3.433 4.642 13.070
193 HB3 PRO 25 2HB PRO 25 3.685 3.116 13.582
194 HG2 PRO 25 1HG PRO 25 4.612 5.299 14.660
195 HG3 PRO 25 2HG PRO 25 4.051 3.989 15.452
196 HD2 PRO 25 1HD PRO 25 5.691 6.511 13.914
197 HD3 PRO 25 2HD PRO 25 5.896 5.225 14.895
198 HA PRO 26 HA PRO 26 5.127 4.007 8.368
199 HB2 PRO 26 1HB PRO 26 4.360 1.390 8.348
200 HB3 PRO 26 2HB PRO 26 5.475 2.173 7.455
201 HG2 PRO 26 1HG PRO 26 5.821 1.114 9.810
202 HG3 PRO 26 2HG PRO 26 6.877 1.083 8.569
203 HD2 PRO 26 1HD PRO 26 5.132 1.584 11.338
204 HD3 PRO 26 2HD PRO 26 6.513 2.002 10.577
205 HA PRO 27 HA PRO 27 0.900 4.793 8.193
206 HB2 PRO 27 1HB PRO 27 0.767 5.490 5.783
207 HB3 PRO 27 2HB PRO 27 1.483 6.401 6.929
208 HG2 PRO 27 1HG PRO 27 2.667 4.981 5.093
209 HG3 PRO 27 2HG PRO 27 3.112 6.462 5.613
210 HD2 PRO 27 1HD PRO 27 4.341 4.530 6.524
211 HD3 PRO 27 2HD PRO 27 3.961 5.782 7.498
212 H SER 28 H SER 28 -1.098 3.983 7.438
213 HA SER 28 HA SER 28 -0.993 1.174 6.597
214 HB2 SER 28 1HB SER 28 -3.263 1.170 6.733
215 HB3 SER 28 2HB SER 28 -2.599 2.043 8.133
216 HG SER 28 HG SER 28 -4.409 3.096 7.205
217 H GLN 29 H GLN 29 -2.265 0.402 4.743
218 HA GLN 29 HA GLN 29 -1.386 1.738 2.295
219 HB2 GLN 29 1HB GLN 29 -3.104 -0.696 2.814
220 HB3 GLN 29 2HB GLN 29 -2.615 -0.133 1.198
221 HG2 GLN 29 1HG GLN 29 -0.062 -0.595 2.030
222 HG3 GLN 29 2HG GLN 29 -1.044 -1.032 3.448
223 HE21 GLN 29 2HE2 GLN 29 0.796 -2.770 2.196
224 HE22 GLN 29 1HE2 GLN 29 -0.086 -4.088 1.499
225 H GLY 30 H GLY 30 -2.538 2.701 0.722
226 HA2 GLY 30 1HA GLY 30 -4.536 3.467 -0.327
227 HA3 GLY 30 2HA GLY 30 -5.450 3.081 1.149
228 H LYS 31 H LYS 31 -2.756 4.510 2.282
229 HA LYS 31 HA LYS 31 -4.121 7.135 2.549
230 HB2 LYS 31 1HB LYS 31 -1.607 6.071 3.843
231 HB3 LYS 31 2HB LYS 31 -2.444 7.590 4.241
232 HG2 LYS 31 1HG LYS 31 -3.597 4.800 4.589
233 HG3 LYS 31 2HG LYS 31 -2.897 5.792 5.890
234 HD2 LYS 31 1HD LYS 31 -4.598 7.559 5.367
235 HD3 LYS 31 2HD LYS 31 -5.348 6.427 4.217
236 HE2 LYS 31 1HE LYS 31 -5.681 4.810 6.060
237 HE3 LYS 31 2HE LYS 31 -4.991 5.990 7.198
238 HZ1 LYS 31 3HZ LYS 31 -7.435 6.384 5.594
239 HZ2 LYS 31 1HZ LYS 31 -7.392 6.046 7.207
240 HZ3 LYS 31 2HZ LYS 31 -6.795 7.479 6.648
241 H GLY 32 H GLY 32 -3.065 9.120 2.246
242 HA2 GLY 32 1HA GLY 32 -1.533 9.159 -0.230
243 HA3 GLY 32 2HA GLY 32 -2.042 10.564 0.734
244 H ARG 33 H ARG 33 0.482 10.369 -0.481
245 HA ARG 33 HA ARG 33 2.509 9.447 1.364
246 HB2 ARG 33 1HB ARG 33 2.931 9.693 -0.980
247 HB3 ARG 33 2HB ARG 33 2.719 11.453 -0.838
248 HG2 ARG 33 1HG ARG 33 4.644 11.533 0.717
249 HG3 ARG 33 2HG ARG 33 4.875 9.781 0.491
250 HD2 ARG 33 1HD ARG 33 5.289 10.169 -1.877
251 HD3 ARG 33 2HD ARG 33 5.120 11.918 -1.602
252 HE ARG 33 HE ARG 33 7.387 11.867 -0.597
253 HH11 ARG 33 1HH1 ARG 33 6.262 8.628 -1.230
254 HH12 ARG 33 2HH1 ARG 33 7.886 8.011 -0.998
255 HH21 ARG 33 1HH2 ARG 33 9.251 11.175 -0.321
256 HH22 ARG 33 2HH2 ARG 33 9.591 9.463 -0.478
257 H GLY 34 H GLY 34 0.863 12.547 0.897
258 HA2 GLY 34 1HA GLY 34 2.756 14.088 2.399
259 HA3 GLY 34 2HA GLY 34 1.094 14.572 1.989
260 H LEU 35 H LEU 35 0.188 11.961 3.325
261 HA LEU 35 HA LEU 35 -0.432 13.142 5.887
262 HB2 LEU 35 1HB LEU 35 -0.614 10.439 4.739
263 HB3 LEU 35 2HB LEU 35 -1.322 10.736 6.345
264 HG LEU 35 HG LEU 35 -2.171 11.990 3.705
265 HD11 LEU 35 1HD1 LEU 35 -4.328 10.788 4.153
266 HD12 LEU 35 2HD1 LEU 35 -2.965 9.650 4.043
267 HD13 LEU 35 3HD1 LEU 35 -3.620 10.103 5.635
268 HD21 LEU 35 3HD2 LEU 35 -2.319 13.613 5.499
269 HD22 LEU 35 1HD2 LEU 35 -3.951 13.101 5.009
270 HD23 LEU 35 2HD2 LEU 35 -3.229 12.463 6.506
271 H SER 36 H SER 36 2.129 11.073 4.751
272 HA SER 36 HA SER 36 3.085 10.580 7.575
273 HB2 SER 36 1HB SER 36 2.782 8.651 6.307
274 HB3 SER 36 2HB SER 36 3.839 9.284 5.025
275 HG SER 36 HG SER 36 5.544 9.257 6.464
Start of MODEL 9
1 H1 SER 1 H SER 1 11.452 13.703 9.477
2 HA SER 1 HA SER 1 8.436 14.180 9.664
3 HB2 SER 1 1HB SER 1 7.712 14.574 7.557
4 HB3 SER 1 2HB SER 1 9.242 15.449 7.794
5 HG SER 1 HG SER 1 8.906 12.992 6.415
6 H GLN 2 H GLN 2 6.704 12.914 8.326
7 HA GLN 2 HA GLN 2 6.922 10.135 9.106
8 HB2 GLN 2 1HB GLN 2 4.812 11.429 9.051
9 HB3 GLN 2 2HB GLN 2 4.935 11.499 7.277
10 HG2 GLN 2 1HG GLN 2 4.658 8.822 7.297
11 HG3 GLN 2 2HG GLN 2 4.756 9.207 9.030
12 HE21 GLN 2 2HE2 GLN 2 2.659 7.730 7.855
13 HE22 GLN 2 1HE2 GLN 2 1.198 8.652 7.991
14 H HIS 3 H HIS 3 7.438 8.363 8.055
15 HA HIS 3 HA HIS 3 8.836 8.583 5.522
16 HB2 HIS 3 1HB HIS 3 9.038 6.125 5.684
17 HB3 HIS 3 2HB HIS 3 9.439 6.882 7.245
18 HD2 HIS 3 HD2 HIS 3 7.892 5.936 9.433
19 HE1 HIS 3 HE1 HIS 3 5.191 3.714 7.021
20 HE2 HIS 3 HE2 HIS 3 5.995 4.306 9.453
21 H GLY 4 H GLY 4 8.343 7.039 3.710
22 HA2 GLY 4 1HA GLY 4 5.625 7.748 2.798
23 HA3 GLY 4 2HA GLY 4 6.958 7.125 1.799
24 H ARG 5 H ARG 5 4.842 5.924 1.094
25 HA ARG 5 HA ARG 5 3.925 3.755 2.798
26 HB2 ARG 5 1HB ARG 5 3.567 4.253 -0.122
27 HB3 ARG 5 2HB ARG 5 2.850 2.903 0.788
28 HG2 ARG 5 1HG ARG 5 1.586 4.449 2.167
29 HG3 ARG 5 2HG ARG 5 2.376 5.840 1.383
30 HD2 ARG 5 1HD ARG 5 0.572 3.857 0.033
31 HD3 ARG 5 2HD ARG 5 0.101 5.470 0.618
32 HE ARG 5 HE ARG 5 2.205 5.809 -1.351
33 HH11 ARG 5 1HH1 ARG 5 -1.113 4.747 -1.213
34 HH12 ARG 5 2HH1 ARG 5 -1.367 5.308 -2.854
35 HH21 ARG 5 1HH2 ARG 5 1.933 6.450 -3.234
36 HH22 ARG 5 2HH2 ARG 5 0.370 6.278 -4.008
37 H THR 6 H THR 6 3.956 1.468 2.007
38 HA THR 6 HA THR 6 6.688 0.551 1.985
39 HB THR 6 HB THR 6 4.117 -0.950 1.333
40 HG1 THR 6 HG1 THR 6 4.290 -1.594 3.524
41 HG21 THR 6 1HG2 THR 6 5.443 -2.967 1.858
42 HG22 THR 6 2HG2 THR 6 6.137 -2.088 0.474
43 HG23 THR 6 3HG2 THR 6 6.891 -1.958 2.081
44 H GLN 7 H GLN 7 4.309 1.092 -0.554
45 HA GLN 7 HA GLN 7 6.014 -0.147 -2.600
46 HB2 GLN 7 1HB GLN 7 3.507 1.539 -2.729
47 HB3 GLN 7 2HB GLN 7 4.335 0.865 -4.152
48 HG2 GLN 7 1HG GLN 7 3.775 -1.572 -3.095
49 HG3 GLN 7 2HG GLN 7 3.131 -0.447 -1.877
50 HE21 GLN 7 2HE2 GLN 7 1.641 -2.495 -3.178
51 HE22 GLN 7 1HE2 GLN 7 0.408 -1.733 -4.127
52 H ASP 8 H ASP 8 5.304 3.103 -1.428
53 HA ASP 8 HA ASP 8 6.748 4.382 -3.635
54 HB2 ASP 8 1HB ASP 8 5.604 5.512 -1.011
55 HB3 ASP 8 2HB ASP 8 6.558 6.338 -2.269
56 H GLU 9 H GLU 9 7.458 3.389 -0.334
57 HA GLU 9 HA GLU 9 10.273 4.348 -0.757
58 HB2 GLU 9 1HB GLU 9 9.065 5.629 0.957
59 HB3 GLU 9 2HB GLU 9 8.718 4.113 1.824
60 HG2 GLU 9 1HG GLU 9 11.238 3.802 2.151
61 HG3 GLU 9 2HG GLU 9 11.387 5.339 1.271
62 H ASN 10 H ASN 10 11.834 2.937 -0.677
63 HA ASN 10 HA ASN 10 11.264 0.118 -0.489
64 HB2 ASN 10 1HB ASN 10 14.078 1.447 -0.455
65 HB3 ASN 10 2HB ASN 10 13.438 -0.214 -0.403
66 HD21 ASN 10 2HD2 ASN 10 15.076 1.355 -2.381
67 HD22 ASN 10 1HD2 ASN 10 14.264 1.124 -3.894
68 HA PRO 11 HA PRO 11 11.244 -0.738 3.714
69 HB2 PRO 11 1HB PRO 11 12.567 -2.959 2.818
70 HB3 PRO 11 2HB PRO 11 11.241 -2.823 3.756
71 HG2 PRO 11 1HG PRO 11 11.327 -2.782 1.151
72 HG3 PRO 11 2HG PRO 11 10.198 -3.513 2.074
73 HD2 PRO 11 1HD PRO 11 12.202 -1.619 0.109
74 HD3 PRO 11 2HD PRO 11 10.670 -1.779 0.646
75 H VAL 12 H VAL 12 14.163 -1.188 1.912
76 HA VAL 12 HA VAL 12 15.994 -1.095 4.148
77 HB VAL 12 HB VAL 12 16.352 -0.327 1.222
78 HG11 VAL 12 1HG1 VAL 12 18.774 -0.463 1.698
79 HG12 VAL 12 2HG1 VAL 12 18.002 0.814 2.666
80 HG13 VAL 12 3HG1 VAL 12 18.421 -0.744 3.418
81 HG21 VAL 12 3HG2 VAL 12 15.805 -2.666 1.536
82 HG22 VAL 12 1HG2 VAL 12 17.504 -2.474 1.044
83 HG23 VAL 12 2HG2 VAL 12 17.105 -2.827 2.742
84 H VAL 13 H VAL 13 14.582 1.453 2.134
85 HA VAL 13 HA VAL 13 16.068 3.604 3.427
86 HB VAL 13 HB VAL 13 13.442 3.597 1.882
87 HG11 VAL 13 1HG1 VAL 13 13.772 6.042 1.728
88 HG12 VAL 13 2HG1 VAL 13 13.593 5.525 3.421
89 HG13 VAL 13 3HG1 VAL 13 15.204 5.914 2.774
90 HG21 VAL 13 3HG2 VAL 13 15.334 2.906 0.536
91 HG22 VAL 13 1HG2 VAL 13 14.777 4.527 0.060
92 HG23 VAL 13 2HG2 VAL 13 16.247 4.346 1.048
93 H HIS 14 H HIS 14 12.854 2.191 3.981
94 HA HIS 14 HA HIS 14 12.106 3.823 6.173
95 HB2 HIS 14 1HB HIS 14 10.551 2.190 5.193
96 HB3 HIS 14 2HB HIS 14 11.595 0.848 5.721
97 HD2 HIS 14 HD2 HIS 14 8.837 3.274 7.255
98 HE1 HIS 14 HE1 HIS 14 10.116 0.450 10.160
99 HE2 HIS 14 HE2 HIS 14 8.402 2.343 9.537
100 H PHE 15 H PHE 15 14.122 0.889 6.131
101 HA PHE 15 HA PHE 15 14.526 0.789 8.974
102 HB2 PHE 15 1HB PHE 15 16.312 -0.211 6.713
103 HB3 PHE 15 2HB PHE 15 16.438 -0.676 8.424
104 HD1 PHE 15 HD1 PHE 15 13.213 -0.597 8.533
105 HD2 PHE 15 HD2 PHE 15 16.183 -2.616 6.220
106 HE1 PHE 15 HE1 PHE 15 11.638 -2.462 8.143
107 HE2 PHE 15 HE2 PHE 15 14.611 -4.483 5.827
108 HZ PHE 15 HZ PHE 15 12.338 -4.406 6.790
109 H PHE 16 H PHE 16 16.460 2.270 6.368
110 HA PHE 16 HA PHE 16 18.538 3.317 7.989
111 HB2 PHE 16 1HB PHE 16 18.654 3.396 5.543
112 HB3 PHE 16 2HB PHE 16 17.253 4.489 5.485
113 HD1 PHE 16 HD1 PHE 16 20.777 4.193 6.576
114 HD2 PHE 16 HD2 PHE 16 17.497 6.791 5.713
115 HE1 PHE 16 HE1 PHE 16 22.294 6.141 6.683
116 HE2 PHE 16 HE2 PHE 16 19.012 8.742 5.816
117 HZ PHE 16 HZ PHE 16 21.412 8.417 6.303
118 H LYS 17 H LYS 17 15.428 4.831 7.097
119 HA LYS 17 HA LYS 17 15.888 7.246 8.575
120 HB2 LYS 17 1HB LYS 17 13.374 5.825 7.704
121 HB3 LYS 17 2HB LYS 17 13.377 7.404 8.525
122 HG2 LYS 17 1HG LYS 17 14.717 8.350 6.676
123 HG3 LYS 17 2HG LYS 17 14.671 6.774 5.850
124 HD2 LYS 17 1HD LYS 17 12.235 6.898 5.690
125 HD3 LYS 17 2HD LYS 17 12.238 8.437 6.584
126 HE2 LYS 17 1HE LYS 17 13.568 9.473 4.788
127 HE3 LYS 17 2HE LYS 17 13.547 7.936 3.893
128 HZ1 LYS 17 3HZ LYS 17 11.175 9.546 4.591
129 HZ2 LYS 17 1HZ LYS 17 11.865 9.454 3.095
130 HZ3 LYS 17 2HZ LYS 17 11.156 8.121 3.760
131 H ASN 18 H ASN 18 14.434 4.148 9.491
132 HA ASN 18 HA ASN 18 13.509 5.013 12.077
133 HB2 ASN 18 1HB ASN 18 12.916 2.653 10.809
134 HB3 ASN 18 2HB ASN 18 14.562 2.451 11.454
135 HD21 ASN 18 2HD2 ASN 18 14.475 1.141 13.101
136 HD22 ASN 18 1HD2 ASN 18 13.351 1.221 14.417
137 H ILE 19 H ILE 19 16.640 4.043 10.878
138 HA ILE 19 HA ILE 19 17.779 3.695 13.576
139 HB ILE 19 HB ILE 19 19.029 3.889 10.799
140 HG12 ILE 19 1HG1 ILE 19 18.854 1.542 12.664
141 HG13 ILE 19 2HG1 ILE 19 17.669 1.887 11.383
142 HG21 ILE 19 1HG2 ILE 19 21.135 3.206 11.897
143 HG22 ILE 19 2HG2 ILE 19 20.570 4.775 12.517
144 HG23 ILE 19 3HG2 ILE 19 20.338 3.302 13.486
145 HD11 ILE 19 3HD1 ILE 19 20.636 1.374 10.971
146 HD12 ILE 19 1HD1 ILE 19 19.325 0.220 10.638
147 HD13 ILE 19 2HD1 ILE 19 19.452 1.720 9.689
148 H VAL 20 H VAL 20 17.798 6.230 11.092
149 HA VAL 20 HA VAL 20 19.723 7.794 12.757
150 HB VAL 20 HB VAL 20 19.896 9.261 10.823
151 HG11 VAL 20 1HG1 VAL 20 20.755 7.669 9.137
152 HG12 VAL 20 2HG1 VAL 20 21.245 7.189 10.779
153 HG13 VAL 20 3HG1 VAL 20 19.912 6.338 9.964
154 HG21 VAL 20 3HG2 VAL 20 17.570 9.265 10.143
155 HG22 VAL 20 1HG2 VAL 20 18.631 8.869 8.770
156 HG23 VAL 20 2HG2 VAL 20 17.712 7.581 9.583
157 H THR 21 H THR 21 16.365 7.570 12.236
158 HA THR 21 HA THR 21 16.076 10.169 13.712
159 HB THR 21 HB THR 21 13.886 10.428 12.810
160 HG1 THR 21 HG1 THR 21 13.267 8.205 12.929
161 HG21 THR 21 1HG2 THR 21 14.248 10.416 10.367
162 HG22 THR 21 2HG2 THR 21 15.684 11.023 11.225
163 HG23 THR 21 3HG2 THR 21 15.666 9.363 10.582
164 HA PRO 22 HA PRO 22 14.157 8.287 17.131
165 HB2 PRO 22 1HB PRO 22 12.009 9.843 16.488
166 HB3 PRO 22 2HB PRO 22 12.842 9.711 17.882
167 HG2 PRO 22 1HG PRO 22 13.421 11.241 15.853
168 HG3 PRO 22 2HG PRO 22 13.558 11.629 17.432
169 HD2 PRO 22 1HD PRO 22 13.890 10.782 14.232
170 HD3 PRO 22 2HD PRO 22 14.738 11.131 15.581
171 H ARG 23 H ARG 23 12.463 6.812 17.804
172 HA ARG 23 HA ARG 23 12.174 4.803 15.861
173 HB2 ARG 23 1HB ARG 23 10.552 5.308 18.311
174 HB3 ARG 23 2HB ARG 23 10.402 3.871 17.273
175 HG2 ARG 23 1HG ARG 23 12.746 3.295 17.725
176 HG3 ARG 23 2HG ARG 23 12.906 4.740 18.752
177 HD2 ARG 23 1HD ARG 23 10.982 2.504 19.281
178 HD3 ARG 23 2HD ARG 23 12.627 2.593 19.949
179 HE ARG 23 HE ARG 23 11.277 4.978 20.810
180 HH11 ARG 23 1HH1 ARG 23 10.859 1.541 21.224
181 HH12 ARG 23 2HH1 ARG 23 10.151 1.812 22.805
182 HH21 ARG 23 1HH2 ARG 23 10.461 5.305 22.615
183 HH22 ARG 23 2HH2 ARG 23 9.923 3.958 23.599
184 H THR 24 H THR 24 11.107 4.630 14.073
185 HA THR 24 HA THR 24 8.780 6.444 13.623
186 HB THR 24 HB THR 24 9.066 5.952 11.253
187 HG1 THR 24 HG1 THR 24 10.963 4.061 12.221
188 HG21 THR 24 1HG2 THR 24 11.336 6.856 10.892
189 HG22 THR 24 2HG2 THR 24 10.510 7.710 12.217
190 HG23 THR 24 3HG2 THR 24 11.752 6.489 12.583
191 HA PRO 25 HA PRO 25 5.866 3.277 13.615
192 HB2 PRO 25 1HB PRO 25 4.350 4.103 11.781
193 HB3 PRO 25 2HB PRO 25 4.477 4.836 13.231
194 HG2 PRO 25 1HG PRO 25 5.490 5.649 10.972
195 HG3 PRO 25 2HG PRO 25 4.806 6.583 12.121
196 HD2 PRO 25 1HD PRO 25 7.271 6.464 12.012
197 HD3 PRO 25 2HD PRO 25 6.505 6.501 13.453
198 HA PRO 26 HA PRO 26 6.787 0.355 10.682
199 HB2 PRO 26 1HB PRO 26 4.639 -0.962 10.548
200 HB3 PRO 26 2HB PRO 26 5.612 -0.963 11.855
201 HG2 PRO 26 1HG PRO 26 3.337 0.285 11.597
202 HG3 PRO 26 2HG PRO 26 3.874 -0.490 12.928
203 HD2 PRO 26 1HD PRO 26 4.037 1.976 12.805
204 HD3 PRO 26 2HD PRO 26 5.223 1.086 13.483
205 HA PRO 27 HA PRO 27 5.485 1.443 6.748
206 HB2 PRO 27 1HB PRO 27 5.949 -0.663 5.466
207 HB3 PRO 27 2HB PRO 27 7.133 0.264 6.095
208 HG2 PRO 27 1HG PRO 27 6.293 -2.029 7.004
209 HG3 PRO 27 2HG PRO 27 7.841 -1.519 6.939
210 HD2 PRO 27 1HD PRO 27 6.702 -1.318 9.112
211 HD3 PRO 27 2HD PRO 27 7.696 -0.125 8.614
212 H SER 28 H SER 28 4.102 0.749 4.803
213 HA SER 28 HA SER 28 1.419 0.265 5.913
214 HB2 SER 28 1HB SER 28 0.613 0.686 3.821
215 HB3 SER 28 2HB SER 28 1.854 1.892 4.234
216 HG SER 28 HG SER 28 2.191 -0.366 2.548
217 H GLN 29 H GLN 29 -0.044 -1.283 4.801
218 HA GLN 29 HA GLN 29 0.960 -3.979 5.012
219 HB2 GLN 29 1HB GLN 29 -1.375 -3.300 5.455
220 HB3 GLN 29 2HB GLN 29 -1.571 -2.935 3.724
221 HG2 GLN 29 1HG GLN 29 -1.175 -5.572 3.288
222 HG3 GLN 29 2HG GLN 29 -0.929 -5.426 5.044
223 HE21 GLN 29 2HE2 GLN 29 -2.732 -7.242 3.991
224 HE22 GLN 29 1HE2 GLN 29 -4.346 -6.745 4.375
225 H GLY 30 H GLY 30 2.212 -5.001 3.688
226 HA2 GLY 30 1HA GLY 30 2.383 -4.204 0.864
227 HA3 GLY 30 2HA GLY 30 3.364 -5.437 1.689
228 H LYS 31 H LYS 31 1.145 -8.137 1.037
229 HA LYS 31 HA LYS 31 2.900 -6.743 3.003
230 HB2 LYS 31 1HB LYS 31 1.903 -9.588 2.811
231 HB3 LYS 31 2HB LYS 31 3.005 -8.976 4.068
232 HG2 LYS 31 1HG LYS 31 1.276 -7.427 4.854
233 HG3 LYS 31 2HG LYS 31 0.173 -7.995 3.577
234 HD2 LYS 31 1HD LYS 31 0.233 -10.265 4.538
235 HD3 LYS 31 2HD LYS 31 1.325 -9.689 5.821
236 HE2 LYS 31 1HE LYS 31 -0.404 -8.117 6.588
237 HE3 LYS 31 2HE LYS 31 -1.496 -8.697 5.309
238 HZ1 LYS 31 3HZ LYS 31 -0.423 -10.331 7.518
239 HZ2 LYS 31 1HZ LYS 31 -1.961 -9.744 7.420
240 HZ3 LYS 31 2HZ LYS 31 -1.436 -10.869 6.333
241 H GLY 32 H GLY 32 5.026 -7.218 3.328
242 HA2 GLY 32 1HA GLY 32 6.385 -8.256 0.902
243 HA3 GLY 32 2HA GLY 32 7.124 -7.284 2.195
244 H ARG 33 H ARG 33 8.837 -8.914 2.089
245 HA ARG 33 HA ARG 33 8.247 -11.633 3.008
246 HB2 ARG 33 1HB ARG 33 10.812 -10.182 2.555
247 HB3 ARG 33 2HB ARG 33 10.686 -11.848 3.164
248 HG2 ARG 33 1HG ARG 33 9.539 -12.525 1.106
249 HG3 ARG 33 2HG ARG 33 9.636 -10.855 0.497
250 HD2 ARG 33 1HD ARG 33 12.042 -11.001 0.462
251 HD3 ARG 33 2HD ARG 33 11.956 -12.663 1.093
252 HE ARG 33 HE ARG 33 10.560 -12.715 -1.403
253 HH11 ARG 33 1HH1 ARG 33 13.786 -11.887 -0.372
254 HH12 ARG 33 2HH1 ARG 33 14.422 -12.416 -1.917
255 HH21 ARG 33 1HH2 ARG 33 11.271 -13.317 -3.180
256 HH22 ARG 33 2HH2 ARG 33 12.989 -13.230 -3.520
257 H GLY 34 H GLY 34 9.159 -8.593 4.474
258 HA2 GLY 34 1HA GLY 34 8.970 -8.049 6.750
259 HA3 GLY 34 2HA GLY 34 8.692 -9.765 7.128
260 H LEU 35 H LEU 35 11.371 -8.907 5.089
261 HA LEU 35 HA LEU 35 13.238 -9.945 7.130
262 HB2 LEU 35 1HB LEU 35 13.544 -8.976 4.363
263 HB3 LEU 35 2HB LEU 35 14.912 -9.737 5.210
264 HG LEU 35 HG LEU 35 12.296 -11.066 4.401
265 HD11 LEU 35 1HD1 LEU 35 13.777 -12.454 2.926
266 HD12 LEU 35 2HD1 LEU 35 13.895 -10.726 2.519
267 HD13 LEU 35 3HD1 LEU 35 15.180 -11.507 3.471
268 HD21 LEU 35 3HD2 LEU 35 13.067 -11.916 6.537
269 HD22 LEU 35 1HD2 LEU 35 13.298 -13.149 5.275
270 HD23 LEU 35 2HD2 LEU 35 14.691 -12.210 5.868
271 H SER 36 H SER 36 15.032 -8.917 7.927
272 HA SER 36 HA SER 36 15.444 -6.004 7.430
273 HB2 SER 36 1HB SER 36 13.590 -5.872 8.818
274 HB3 SER 36 2HB SER 36 14.365 -6.926 10.024
275 HG SER 36 HG SER 36 14.612 -4.700 10.500
Start of MODEL 10
1 H1 SER 1 H SER 1 -4.237 -0.728 -2.582
2 HA SER 1 HA SER 1 -3.939 0.880 -5.167
3 HB2 SER 1 1HB SER 1 -6.492 1.485 -3.802
4 HB3 SER 1 2HB SER 1 -5.942 2.037 -5.401
5 HG SER 1 HG SER 1 -7.285 0.185 -5.513
6 H GLN 2 H GLN 2 -4.773 1.972 -1.863
7 HA GLN 2 HA GLN 2 -4.329 4.735 -2.176
8 HB2 GLN 2 1HB GLN 2 -5.253 3.671 -0.164
9 HB3 GLN 2 2HB GLN 2 -3.654 2.976 0.191
10 HG2 GLN 2 1HG GLN 2 -2.811 5.541 0.488
11 HG3 GLN 2 2HG GLN 2 -4.520 5.727 0.027
12 HE21 GLN 2 2HE2 GLN 2 -3.526 6.891 2.329
13 HE22 GLN 2 1HE2 GLN 2 -4.189 6.092 3.716
14 H HIS 3 H HIS 3 -1.945 2.229 -1.294
15 HA HIS 3 HA HIS 3 0.181 4.169 -2.142
16 HB2 HIS 3 1HB HIS 3 0.390 1.867 -0.147
17 HB3 HIS 3 2HB HIS 3 1.714 2.951 -0.638
18 HD2 HIS 3 HD2 HIS 3 -0.822 2.715 2.233
19 HE1 HIS 3 HE1 HIS 3 0.334 6.787 1.873
20 HE2 HIS 3 HE2 HIS 3 -0.863 4.960 3.336
21 H GLY 4 H GLY 4 -1.488 1.435 -3.037
22 HA2 GLY 4 1HA GLY 4 0.700 -0.022 -4.279
23 HA3 GLY 4 2HA GLY 4 -1.040 -0.261 -4.563
24 H ARG 5 H ARG 5 -1.358 2.668 -5.146
25 HA ARG 5 HA ARG 5 -0.794 2.533 -8.013
26 HB2 ARG 5 1HB ARG 5 -2.010 4.633 -6.287
27 HB3 ARG 5 2HB ARG 5 -1.683 4.839 -8.023
28 HG2 ARG 5 1HG ARG 5 -3.153 2.943 -8.533
29 HG3 ARG 5 2HG ARG 5 -3.465 2.710 -6.797
30 HD2 ARG 5 1HD ARG 5 -4.537 4.861 -6.687
31 HD3 ARG 5 2HD ARG 5 -4.194 5.133 -8.412
32 HE ARG 5 HE ARG 5 -5.849 2.792 -8.290
33 HH11 ARG 5 1HH1 ARG 5 -6.144 6.137 -7.353
34 HH12 ARG 5 2HH1 ARG 5 -7.871 6.073 -7.645
35 HH21 ARG 5 1HH2 ARG 5 -7.826 2.700 -8.622
36 HH22 ARG 5 2HH2 ARG 5 -8.832 4.114 -8.368
37 H THR 6 H THR 6 0.804 3.813 -5.216
38 HA THR 6 HA THR 6 2.506 5.623 -6.816
39 HB THR 6 HB THR 6 3.563 6.204 -4.719
40 HG1 THR 6 HG1 THR 6 2.296 3.834 -3.828
41 HG21 THR 6 1HG2 THR 6 1.619 6.934 -3.381
42 HG22 THR 6 2HG2 THR 6 1.335 7.198 -5.118
43 HG23 THR 6 3HG2 THR 6 0.573 5.819 -4.291
44 H GLN 7 H GLN 7 4.899 5.531 -6.424
45 HA GLN 7 HA GLN 7 5.829 3.061 -7.592
46 HB2 GLN 7 1HB GLN 7 6.839 5.270 -8.010
47 HB3 GLN 7 2HB GLN 7 7.370 5.329 -6.311
48 HG2 GLN 7 1HG GLN 7 8.946 3.222 -6.882
49 HG3 GLN 7 2HG GLN 7 8.028 3.432 -8.391
50 HE21 GLN 7 2HE2 GLN 7 10.826 3.353 -8.304
51 HE22 GLN 7 1HE2 GLN 7 11.443 4.914 -8.734
52 H ASP 8 H ASP 8 6.718 1.303 -6.800
53 HA ASP 8 HA ASP 8 6.501 0.634 -4.033
54 HB2 ASP 8 1HB ASP 8 8.236 -0.632 -6.239
55 HB3 ASP 8 2HB ASP 8 8.037 -1.121 -4.539
56 H GLU 9 H GLU 9 7.519 1.372 -2.363
57 HA GLU 9 HA GLU 9 10.232 2.541 -2.686
58 HB2 GLU 9 1HB GLU 9 8.393 2.368 -0.293
59 HB3 GLU 9 2HB GLU 9 9.950 3.228 -0.360
60 HG2 GLU 9 1HG GLU 9 8.918 4.739 -2.184
61 HG3 GLU 9 2HG GLU 9 7.437 3.806 -1.868
62 H ASN 10 H ASN 10 12.046 1.881 -1.625
63 HA ASN 10 HA ASN 10 12.137 -0.939 -0.791
64 HB2 ASN 10 1HB ASN 10 14.469 1.123 -0.740
65 HB3 ASN 10 2HB ASN 10 14.236 -0.573 -0.250
66 HD21 ASN 10 2HD2 ASN 10 15.867 0.874 -2.364
67 HD22 ASN 10 1HD2 ASN 10 15.547 -0.013 -3.818
68 HA PRO 11 HA PRO 11 11.222 -0.192 3.361
69 HB2 PRO 11 1HB PRO 11 11.897 -2.500 4.139
70 HB3 PRO 11 2HB PRO 11 10.522 -2.191 3.320
71 HG2 PRO 11 1HG PRO 11 12.689 -3.294 2.381
72 HG3 PRO 11 2HG PRO 11 11.154 -3.720 2.034
73 HD2 PRO 11 1HD PRO 11 12.464 -2.343 0.441
74 HD3 PRO 11 2HD PRO 11 10.872 -2.082 0.690
75 H VAL 12 H VAL 12 14.224 -1.225 2.154
76 HA VAL 12 HA VAL 12 15.762 -0.998 4.609
77 HB VAL 12 HB VAL 12 16.575 -0.741 1.684
78 HG11 VAL 12 1HG1 VAL 12 18.882 -1.059 2.517
79 HG12 VAL 12 2HG1 VAL 12 18.160 0.427 3.178
80 HG13 VAL 12 3HG1 VAL 12 18.281 -1.031 4.191
81 HG21 VAL 12 3HG2 VAL 12 15.703 -2.933 2.237
82 HG22 VAL 12 1HG2 VAL 12 17.461 -3.001 1.973
83 HG23 VAL 12 2HG2 VAL 12 16.809 -3.042 3.629
84 H VAL 13 H VAL 13 14.720 1.334 2.193
85 HA VAL 13 HA VAL 13 16.317 3.540 3.202
86 HB VAL 13 HB VAL 13 13.657 3.475 1.717
87 HG11 VAL 13 1HG1 VAL 13 14.076 5.871 1.278
88 HG12 VAL 13 2HG1 VAL 13 13.910 5.560 3.021
89 HG13 VAL 13 3HG1 VAL 13 15.523 5.808 2.311
90 HG21 VAL 13 3HG2 VAL 13 15.497 2.560 0.434
91 HG22 VAL 13 1HG2 VAL 13 14.994 4.137 -0.218
92 HG23 VAL 13 2HG2 VAL 13 16.473 4.011 0.763
93 H HIS 14 H HIS 14 13.107 2.306 4.051
94 HA HIS 14 HA HIS 14 12.695 4.414 6.037
95 HB2 HIS 14 1HB HIS 14 11.247 1.802 5.432
96 HB3 HIS 14 2HB HIS 14 10.765 2.908 6.740
97 HD2 HIS 14 HD2 HIS 14 10.010 2.394 2.974
98 HE1 HIS 14 HE1 HIS 14 8.874 6.348 4.037
99 HE2 HIS 14 HE2 HIS 14 8.763 4.434 2.239
100 H PHE 15 H PHE 15 14.175 1.259 5.987
101 HA PHE 15 HA PHE 15 14.395 0.996 8.871
102 HB2 PHE 15 1HB PHE 15 16.039 -0.175 6.586
103 HB3 PHE 15 2HB PHE 15 16.223 -0.622 8.298
104 HD1 PHE 15 HD1 PHE 15 12.967 -0.173 8.420
105 HD2 PHE 15 HD2 PHE 15 15.737 -2.654 6.318
106 HE1 PHE 15 HE1 PHE 15 11.218 -1.900 8.159
107 HE2 PHE 15 HE2 PHE 15 13.990 -4.384 6.052
108 HZ PHE 15 HZ PHE 15 11.731 -4.006 6.974
109 H PHE 16 H PHE 16 16.522 2.356 6.352
110 HA PHE 16 HA PHE 16 18.555 3.344 8.082
111 HB2 PHE 16 1HB PHE 16 18.779 3.429 5.637
112 HB3 PHE 16 2HB PHE 16 17.412 4.562 5.530
113 HD1 PHE 16 HD1 PHE 16 20.872 4.158 6.783
114 HD2 PHE 16 HD2 PHE 16 17.712 6.853 5.784
115 HE1 PHE 16 HE1 PHE 16 22.436 6.062 6.979
116 HE2 PHE 16 HE2 PHE 16 19.274 8.759 5.977
117 HZ PHE 16 HZ PHE 16 21.637 8.363 6.576
118 H LYS 17 H LYS 17 15.467 4.840 7.110
119 HA LYS 17 HA LYS 17 15.754 7.200 8.704
120 HB2 LYS 17 1HB LYS 17 13.332 5.640 7.804
121 HB3 LYS 17 2HB LYS 17 13.246 7.194 8.668
122 HG2 LYS 17 1HG LYS 17 14.468 8.287 6.836
123 HG3 LYS 17 2HG LYS 17 14.572 6.734 5.973
124 HD2 LYS 17 1HD LYS 17 12.107 6.639 5.867
125 HD3 LYS 17 2HD LYS 17 12.017 8.205 6.706
126 HE2 LYS 17 1HE LYS 17 13.274 9.251 4.858
127 HE3 LYS 17 2HE LYS 17 13.319 7.687 4.014
128 HZ1 LYS 17 3HZ LYS 17 10.877 9.195 4.701
129 HZ2 LYS 17 1HZ LYS 17 11.546 9.086 3.198
130 HZ3 LYS 17 2HZ LYS 17 10.918 7.742 3.919
131 H ASN 18 H ASN 18 14.577 3.958 9.493
132 HA ASN 18 HA ASN 18 13.695 4.608 12.160
133 HB2 ASN 18 1HB ASN 18 13.204 2.286 10.828
134 HB3 ASN 18 2HB ASN 18 14.921 2.192 11.289
135 HD21 ASN 18 2HD2 ASN 18 15.093 0.739 12.810
136 HD22 ASN 18 1HD2 ASN 18 14.120 0.634 14.239
137 H ILE 19 H ILE 19 16.834 3.839 10.785
138 HA ILE 19 HA ILE 19 18.140 3.472 13.380
139 HB ILE 19 HB ILE 19 19.208 4.011 10.574
140 HG12 ILE 19 1HG1 ILE 19 19.391 1.530 12.258
141 HG13 ILE 19 2HG1 ILE 19 18.103 1.835 11.069
142 HG21 ILE 19 1HG2 ILE 19 21.436 3.485 11.509
143 HG22 ILE 19 2HG2 ILE 19 20.745 4.934 12.276
144 HG23 ILE 19 3HG2 ILE 19 20.727 3.379 13.138
145 HD11 ILE 19 3HD1 ILE 19 21.078 1.681 10.468
146 HD12 ILE 19 1HD1 ILE 19 19.877 0.418 10.115
147 HD13 ILE 19 2HD1 ILE 19 19.790 1.987 9.280
148 H VAL 20 H VAL 20 17.770 6.195 11.141
149 HA VAL 20 HA VAL 20 19.584 7.825 12.867
150 HB VAL 20 HB VAL 20 19.471 9.475 11.081
151 HG11 VAL 20 1HG1 VAL 20 20.425 8.165 9.213
152 HG12 VAL 20 2HG1 VAL 20 21.058 7.603 10.779
153 HG13 VAL 20 3HG1 VAL 20 19.796 6.668 9.942
154 HG21 VAL 20 3HG2 VAL 20 17.130 9.247 10.502
155 HG22 VAL 20 1HG2 VAL 20 18.154 9.115 9.054
156 HG23 VAL 20 2HG2 VAL 20 17.444 7.653 9.777
157 H THR 21 H THR 21 16.244 7.265 12.416
158 HA THR 21 HA THR 21 15.691 9.701 14.078
159 HB THR 21 HB THR 21 13.863 8.413 12.008
160 HG1 THR 21 HG1 THR 21 14.190 10.454 10.941
161 HG21 THR 21 1HG2 THR 21 12.375 10.321 12.502
162 HG22 THR 21 2HG2 THR 21 12.650 9.331 13.955
163 HG23 THR 21 3HG2 THR 21 13.506 10.878 13.757
164 HA PRO 22 HA PRO 22 14.505 6.744 16.954
165 HB2 PRO 22 1HB PRO 22 13.662 8.429 18.649
166 HB3 PRO 22 2HB PRO 22 15.239 8.147 18.354
167 HG2 PRO 22 1HG PRO 22 13.840 10.194 17.554
168 HG3 PRO 22 2HG PRO 22 15.381 10.221 18.091
169 HD2 PRO 22 1HD PRO 22 14.834 10.339 15.665
170 HD3 PRO 22 2HD PRO 22 16.123 9.517 16.234
171 H ARG 23 H ARG 23 12.402 9.212 15.839
172 HA ARG 23 HA ARG 23 9.961 7.900 16.766
173 HB2 ARG 23 1HB ARG 23 10.382 10.063 14.752
174 HB3 ARG 23 2HB ARG 23 8.808 9.437 15.296
175 HG2 ARG 23 1HG ARG 23 9.260 10.185 17.569
176 HG3 ARG 23 2HG ARG 23 10.882 10.739 17.086
177 HD2 ARG 23 1HD ARG 23 9.862 12.375 15.608
178 HD3 ARG 23 2HD ARG 23 8.253 11.838 16.145
179 HE ARG 23 HE ARG 23 9.655 12.764 18.489
180 HH11 ARG 23 1HH1 ARG 23 8.500 14.112 15.487
181 HH12 ARG 23 2HH1 ARG 23 8.260 15.663 16.269
182 HH21 ARG 23 1HH2 ARG 23 9.393 14.536 19.396
183 HH22 ARG 23 2HH2 ARG 23 8.770 15.906 18.497
184 H THR 24 H THR 24 8.644 6.521 15.797
185 HA THR 24 HA THR 24 9.747 4.736 13.863
186 HB THR 24 HB THR 24 6.812 5.176 14.561
187 HG1 THR 24 HG1 THR 24 7.238 3.424 16.032
188 HG21 THR 24 1HG2 THR 24 6.553 2.836 13.812
189 HG22 THR 24 2HG2 THR 24 7.165 3.866 12.494
190 HG23 THR 24 3HG2 THR 24 8.276 2.786 13.370
191 HA PRO 25 HA PRO 25 9.006 7.049 10.268
192 HB2 PRO 25 1HB PRO 25 10.148 5.430 8.738
193 HB3 PRO 25 2HB PRO 25 10.970 6.375 9.780
194 HG2 PRO 25 1HG PRO 25 10.517 3.819 10.008
195 HG3 PRO 25 2HG PRO 25 11.900 4.597 10.384
196 HD2 PRO 25 1HD PRO 25 10.414 4.102 12.277
197 HD3 PRO 25 2HD PRO 25 11.176 5.544 12.231
198 HA PRO 26 HA PRO 26 5.534 5.278 8.498
199 HB2 PRO 26 1HB PRO 26 5.710 6.165 6.138
200 HB3 PRO 26 2HB PRO 26 5.324 7.090 7.422
201 HG2 PRO 26 1HG PRO 26 7.612 7.018 6.177
202 HG3 PRO 26 2HG PRO 26 6.864 8.346 6.758
203 HD2 PRO 26 1HD PRO 26 8.743 7.317 8.007
204 HD3 PRO 26 2HD PRO 26 7.447 7.942 8.774
205 HA PRO 27 HA PRO 27 6.646 1.660 6.498
206 HB2 PRO 27 1HB PRO 27 4.430 0.969 5.543
207 HB3 PRO 27 2HB PRO 27 4.736 0.978 7.144
208 HG2 PRO 27 1HG PRO 27 3.295 2.696 5.817
209 HG3 PRO 27 2HG PRO 27 2.968 2.092 7.297
210 HD2 PRO 27 1HD PRO 27 3.992 4.330 7.217
211 HD3 PRO 27 2HD PRO 27 4.467 3.270 8.363
212 H SER 28 H SER 28 7.111 0.644 4.499
213 HA SER 28 HA SER 28 7.647 2.433 2.302
214 HB2 SER 28 1HB SER 28 8.960 0.605 2.541
215 HB3 SER 28 2HB SER 28 7.575 -0.510 2.509
216 HG SER 28 HG SER 28 8.755 -0.282 0.495
217 H GLN 29 H GLN 29 6.353 3.204 0.761
218 HA GLN 29 HA GLN 29 3.591 2.313 0.458
219 HB2 GLN 29 1HB GLN 29 5.353 4.090 -1.244
220 HB3 GLN 29 2HB GLN 29 3.612 3.824 -1.502
221 HG2 GLN 29 1HG GLN 29 3.310 4.954 0.978
222 HG3 GLN 29 2HG GLN 29 5.064 5.019 0.685
223 HE21 GLN 29 2HE2 GLN 29 1.897 6.252 -0.285
224 HE22 GLN 29 1HE2 GLN 29 2.481 7.667 -1.095
225 H GLY 30 H GLY 30 2.651 1.071 -1.028
226 HA2 GLY 30 1HA GLY 30 2.463 -0.427 -2.795
227 HA3 GLY 30 2HA GLY 30 4.069 0.087 -3.361
228 H LYS 31 H LYS 31 4.788 -1.992 -3.799
229 HA LYS 31 HA LYS 31 4.587 -4.186 -1.940
230 HB2 LYS 31 1HB LYS 31 4.959 -4.414 -4.369
231 HB3 LYS 31 2HB LYS 31 6.583 -3.715 -4.161
232 HG2 LYS 31 1HG LYS 31 7.249 -5.605 -2.767
233 HG3 LYS 31 2HG LYS 31 5.610 -6.291 -2.879
234 HD2 LYS 31 1HD LYS 31 5.872 -6.516 -5.320
235 HD3 LYS 31 2HD LYS 31 7.516 -5.842 -5.202
236 HE2 LYS 31 1HE LYS 31 8.182 -7.716 -3.759
237 HE3 LYS 31 2HE LYS 31 6.541 -8.392 -3.876
238 HZ1 LYS 31 3HZ LYS 31 8.404 -8.010 -6.133
239 HZ2 LYS 31 1HZ LYS 31 8.052 -9.452 -5.413
240 HZ3 LYS 31 2HZ LYS 31 6.882 -8.636 -6.242
241 H GLY 32 H GLY 32 5.775 -4.863 -0.317
242 HA2 GLY 32 1HA GLY 32 7.819 -5.078 0.915
243 HA3 GLY 32 2HA GLY 32 8.419 -3.587 0.153
244 H ARG 33 H ARG 33 5.151 -3.530 1.232
245 HA ARG 33 HA ARG 33 5.616 -1.297 2.969
246 HB2 ARG 33 1HB ARG 33 3.535 -1.693 1.814
247 HB3 ARG 33 2HB ARG 33 3.230 -3.089 2.874
248 HG2 ARG 33 1HG ARG 33 3.152 -1.634 4.822
249 HG3 ARG 33 2HG ARG 33 3.563 -0.224 3.816
250 HD2 ARG 33 1HD ARG 33 1.473 -0.474 2.622
251 HD3 ARG 33 2HD ARG 33 1.062 -1.875 3.640
252 HE ARG 33 HE ARG 33 1.384 0.404 5.391
253 HH11 ARG 33 1HH1 ARG 33 -0.753 -0.622 2.835
254 HH12 ARG 33 2HH1 ARG 33 -2.068 0.281 3.563
255 HH21 ARG 33 1HH2 ARG 33 -0.108 1.451 6.232
256 HH22 ARG 33 2HH2 ARG 33 -1.700 1.464 5.500
257 H GLY 34 H GLY 34 5.955 -1.050 5.058
258 HA2 GLY 34 1HA GLY 34 6.814 -3.439 6.537
259 HA3 GLY 34 2HA GLY 34 6.981 -1.744 7.050
260 H LEU 35 H LEU 35 6.288 -2.694 9.144
261 HA LEU 35 HA LEU 35 3.349 -3.252 9.255
262 HB2 LEU 35 1HB LEU 35 5.576 -3.714 11.129
263 HB3 LEU 35 2HB LEU 35 3.923 -4.217 11.550
264 HG LEU 35 HG LEU 35 5.647 -5.325 9.301
265 HD11 LEU 35 1HD1 LEU 35 5.532 -7.450 10.628
266 HD12 LEU 35 2HD1 LEU 35 6.283 -6.140 11.568
267 HD13 LEU 35 3HD1 LEU 35 4.591 -6.601 11.876
268 HD21 LEU 35 3HD2 LEU 35 3.319 -5.224 8.632
269 HD22 LEU 35 1HD2 LEU 35 3.796 -6.915 8.916
270 HD23 LEU 35 2HD2 LEU 35 2.823 -6.049 10.130
271 H SER 36 H SER 36 5.324 -0.692 9.479
272 HA SER 36 HA SER 36 4.727 0.642 11.941
273 HB2 SER 36 1HB SER 36 6.410 1.384 10.545
274 HB3 SER 36 2HB SER 36 5.249 1.746 9.248
275 HG SER 36 HG SER 36 5.896 3.542 10.647