Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
504465 | 2em3 RC | 10168 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 H GLY 1 5.455 -19.022 5.461
2 HA2 GLY 1 1HA GLY 1 6.374 -17.064 3.954
3 HA3 GLY 1 2HA GLY 1 6.002 -18.235 2.698
4 H SER 2 H SER 2 4.874 -15.523 3.557
5 HA SER 2 HA SER 2 2.362 -15.618 4.600
6 HB2 SER 2 1HB SER 2 3.352 -13.516 3.927
7 HB3 SER 2 2HB SER 2 3.313 -13.994 2.230
8 HG SER 2 HG SER 2 1.501 -12.867 2.373
9 H SER 3 H SER 3 0.242 -15.803 3.732
10 HA SER 3 HA SER 3 0.047 -17.281 1.198
11 HB2 SER 3 1HB SER 3 -1.530 -18.848 2.166
12 HB3 SER 3 2HB SER 3 -0.051 -18.863 3.127
13 HG SER 3 HG SER 3 -2.596 -18.009 3.796
14 H GLY 4 H GLY 4 -1.559 -16.634 -0.117
15 HA2 GLY 4 1HA GLY 4 -3.079 -14.305 0.624
16 HA3 GLY 4 2HA GLY 4 -3.111 -15.122 -0.931
17 H SER 5 H SER 5 -3.810 -16.394 2.306
18 HA SER 5 HA SER 5 -6.180 -17.692 1.365
19 HB2 SER 5 1HB SER 5 -4.656 -18.538 3.210
20 HB3 SER 5 2HB SER 5 -5.364 -17.301 4.249
21 HG SER 5 HG SER 5 -7.285 -18.319 4.181
22 H SER 6 H SER 6 -8.283 -17.131 1.613
23 HA SER 6 HA SER 6 -8.961 -14.777 3.205
24 HB2 SER 6 1HB SER 6 -9.738 -15.053 0.292
25 HB3 SER 6 2HB SER 6 -10.203 -13.741 1.374
26 HG SER 6 HG SER 6 -8.327 -13.386 -0.066
27 H GLY 7 H GLY 7 -11.310 -14.523 3.497
28 HA2 GLY 7 1HA GLY 7 -12.535 -17.125 3.880
29 HA3 GLY 7 2HA GLY 7 -13.156 -15.582 4.449
30 H THR 8 H THR 8 -14.730 -17.594 3.249
31 HA THR 8 HA THR 8 -15.265 -17.561 0.604
32 HB THR 8 HB THR 8 -17.396 -17.307 2.736
33 HG1 THR 8 HG1 THR 8 -17.319 -19.673 2.532
34 HG21 THR 8 3HG2 THR 8 -18.618 -18.794 1.009
35 HG22 THR 8 1HG2 THR 8 -17.431 -18.172 -0.137
36 HG23 THR 8 2HG2 THR 8 -18.513 -17.061 0.703
37 H GLY 9 H GLY 9 -15.018 -15.786 -0.645
38 HA2 GLY 9 1HA GLY 9 -16.560 -14.030 -1.565
39 HA3 GLY 9 2HA GLY 9 -16.605 -13.400 0.075
40 H GLU 10 H GLU 10 -15.941 -11.518 -1.493
41 HA GLU 10 HA GLU 10 -13.106 -11.110 -1.037
42 HB2 GLU 10 1HB GLU 10 -14.313 -11.392 -3.748
43 HB3 GLU 10 2HB GLU 10 -13.071 -10.169 -3.522
44 HG2 GLU 10 1HG GLU 10 -12.718 -13.065 -2.798
45 HG3 GLU 10 2HG GLU 10 -12.244 -12.369 -4.346
46 H LYS 11 H LYS 11 -12.583 -8.995 -0.712
47 HA LYS 11 HA LYS 11 -14.783 -7.153 -0.392
48 HB2 LYS 11 1HB LYS 11 -11.821 -6.802 0.108
49 HB3 LYS 11 2HB LYS 11 -13.067 -5.644 0.557
50 HG2 LYS 11 1HG LYS 11 -12.742 -6.743 2.538
51 HG3 LYS 11 2HG LYS 11 -14.079 -7.671 1.853
52 HD2 LYS 11 1HD LYS 11 -12.643 -9.428 1.187
53 HD3 LYS 11 2HD LYS 11 -11.199 -8.451 1.462
54 HE2 LYS 11 1HE LYS 11 -13.081 -9.097 3.704
55 HE3 LYS 11 2HE LYS 11 -11.840 -10.244 3.204
56 HZ1 LYS 11 3HZ LYS 11 -11.460 -7.513 4.282
57 HZ2 LYS 11 1HZ LYS 11 -10.218 -8.364 3.509
58 HZ3 LYS 11 2HZ LYS 11 -10.907 -8.975 4.928
59 HA PRO 12 HA PRO 12 -14.372 -5.058 -4.241
60 HB2 PRO 12 1HB PRO 12 -15.452 -2.665 -3.550
61 HB3 PRO 12 2HB PRO 12 -16.421 -4.125 -3.782
62 HG2 PRO 12 1HG PRO 12 -15.435 -2.890 -1.239
63 HG3 PRO 12 2HG PRO 12 -17.028 -3.577 -1.605
64 HD2 PRO 12 1HD PRO 12 -15.140 -4.934 -0.217
65 HD3 PRO 12 2HD PRO 12 -16.308 -5.743 -1.282
66 H TYR 13 H TYR 13 -13.043 -3.706 -1.301
67 HA TYR 13 HA TYR 13 -11.247 -2.005 -2.895
68 HB2 TYR 13 1HB TYR 13 -11.718 -1.808 0.079
69 HB3 TYR 13 2HB TYR 13 -10.956 -0.621 -0.974
70 HD1 TYR 13 HD1 TYR 13 -12.375 0.602 -2.655
71 HD2 TYR 13 HD2 TYR 13 -14.056 -1.816 0.416
72 HE1 TYR 13 HE1 TYR 13 -14.542 1.723 -2.967
73 HE2 TYR 13 HE2 TYR 13 -16.228 -0.703 0.111
74 HH TYR 13 HH TYR 13 -17.192 0.805 -2.360
75 H GLU 14 H GLU 14 -9.235 -2.688 -3.146
76 HA GLU 14 HA GLU 14 -7.920 -4.144 -0.979
77 HB2 GLU 14 1HB GLU 14 -8.954 -5.724 -2.739
78 HB3 GLU 14 2HB GLU 14 -7.680 -5.147 -3.804
79 HG2 GLU 14 1HG GLU 14 -5.999 -5.915 -2.197
80 HG3 GLU 14 2HG GLU 14 -7.286 -6.519 -1.154
81 H CYS 15 H CYS 15 -5.717 -3.845 -0.868
82 HA CYS 15 HA CYS 15 -4.688 -1.627 -2.444
83 HB2 CYS 15 1HB CYS 15 -4.455 -2.067 0.158
84 HB3 CYS 15 2HB CYS 15 -3.056 -3.004 -0.356
85 H LYS 16 H LYS 16 -2.402 -1.745 -3.219
86 HA LYS 16 HA LYS 16 -1.919 -4.366 -4.469
87 HB2 LYS 16 1HB LYS 16 -1.209 -1.574 -5.371
88 HB3 LYS 16 2HB LYS 16 -0.585 -3.025 -6.145
89 HG2 LYS 16 1HG LYS 16 -3.511 -2.378 -5.874
90 HG3 LYS 16 2HG LYS 16 -2.534 -2.013 -7.298
91 HD2 LYS 16 1HD LYS 16 -2.054 -4.382 -7.596
92 HD3 LYS 16 2HD LYS 16 -2.977 -4.766 -6.141
93 HE2 LYS 16 1HE LYS 16 -5.010 -3.989 -7.167
94 HE3 LYS 16 2HE LYS 16 -4.125 -3.411 -8.578
95 HZ1 LYS 16 3HZ LYS 16 -4.709 -6.186 -7.775
96 HZ2 LYS 16 1HZ LYS 16 -3.399 -5.849 -8.791
97 HZ3 LYS 16 2HZ LYS 16 -4.967 -5.433 -9.268
98 H VAL 17 H VAL 17 -0.283 -1.584 -2.994
99 HA VAL 17 HA VAL 17 2.316 -2.648 -3.018
100 HB VAL 17 HB VAL 17 1.099 -0.680 -1.075
101 HG11 VAL 17 1HG1 VAL 17 3.989 -1.314 -1.661
102 HG12 VAL 17 2HG1 VAL 17 3.419 0.013 -0.647
103 HG13 VAL 17 3HG1 VAL 17 3.125 -1.657 -0.163
104 HG21 VAL 17 3HG2 VAL 17 1.438 0.956 -2.581
105 HG22 VAL 17 1HG2 VAL 17 2.945 0.247 -3.161
106 HG23 VAL 17 2HG2 VAL 17 1.399 -0.359 -3.755
107 H CYS 18 H CYS 18 0.007 -2.474 -0.301
108 HA CYS 18 HA CYS 18 1.566 -4.427 1.179
109 HB2 CYS 18 1HB CYS 18 0.078 -3.964 3.025
110 HB3 CYS 18 2HB CYS 18 0.572 -2.436 2.302
111 H SER 19 H SER 19 -1.383 -4.244 -0.665
112 HA SER 19 HA SER 19 -2.697 -5.904 -1.528
113 HB2 SER 19 1HB SER 19 -0.492 -7.226 -1.501
114 HB3 SER 19 2HB SER 19 -1.087 -7.949 -0.007
115 HG SER 19 HG SER 19 -2.032 -8.224 -2.626
116 H LYS 20 H LYS 20 -3.358 -4.522 0.831
117 HA LYS 20 HA LYS 20 -4.670 -6.565 2.485
118 HB2 LYS 20 1HB LYS 20 -3.172 -4.644 3.432
119 HB3 LYS 20 2HB LYS 20 -4.598 -3.647 3.175
120 HG2 LYS 20 1HG LYS 20 -5.843 -5.435 4.534
121 HG3 LYS 20 2HG LYS 20 -4.236 -5.965 5.035
122 HD2 LYS 20 1HD LYS 20 -4.930 -3.072 5.239
123 HD3 LYS 20 2HD LYS 20 -5.577 -4.192 6.441
124 HE2 LYS 20 1HE LYS 20 -3.318 -4.942 6.970
125 HE3 LYS 20 2HE LYS 20 -2.660 -3.859 5.744
126 HZ1 LYS 20 3HZ LYS 20 -4.026 -2.122 7.181
127 HZ2 LYS 20 1HZ LYS 20 -2.425 -2.534 7.541
128 HZ3 LYS 20 2HZ LYS 20 -3.695 -3.249 8.399
129 H ALA 21 H ALA 21 -6.880 -6.502 2.882
130 HA ALA 21 HA ALA 21 -8.424 -4.962 0.915
131 HB1 ALA 21 3HB ALA 21 -8.871 -7.571 2.293
132 HB2 ALA 21 1HB ALA 21 -10.253 -6.653 1.694
133 HB3 ALA 21 2HB ALA 21 -8.986 -7.169 0.579
134 H PHE 22 H PHE 22 -10.064 -3.611 1.507
135 HA PHE 22 HA PHE 22 -10.466 -3.212 4.400
136 HB2 PHE 22 1HB PHE 22 -10.545 -1.081 2.255
137 HB3 PHE 22 2HB PHE 22 -10.734 -0.830 3.987
138 HD1 PHE 22 HD1 PHE 22 -8.323 -2.034 1.435
139 HD2 PHE 22 HD2 PHE 22 -8.883 -0.395 5.323
140 HE1 PHE 22 HE1 PHE 22 -5.892 -1.716 1.647
141 HE2 PHE 22 HE2 PHE 22 -6.454 -0.074 5.541
142 HZ PHE 22 HZ PHE 22 -4.955 -0.734 3.702
143 H THR 23 H THR 23 -12.553 -2.478 5.062
144 HA THR 23 HA THR 23 -14.679 -3.701 3.576
145 HB THR 23 HB THR 23 -14.738 -3.823 5.992
146 HG1 THR 23 HG1 THR 23 -16.880 -2.557 6.211
147 HG21 THR 23 3HG2 THR 23 -14.290 -2.108 7.353
148 HG22 THR 23 1HG2 THR 23 -15.469 -1.071 6.552
149 HG23 THR 23 2HG2 THR 23 -13.830 -1.200 5.913
150 H GLN 24 H GLN 24 -13.535 -0.436 4.121
151 HA GLN 24 HA GLN 24 -15.538 0.519 2.192
152 HB2 GLN 24 1HB GLN 24 -14.767 1.726 4.834
153 HB3 GLN 24 2HB GLN 24 -15.412 2.725 3.538
154 HG2 GLN 24 1HG GLN 24 -17.344 1.019 3.492
155 HG3 GLN 24 2HG GLN 24 -16.752 0.548 5.084
156 HE21 GLN 24 1HE2 GLN 24 -18.723 1.249 5.987
157 HE22 GLN 24 2HE2 GLN 24 -19.044 2.928 6.238
158 H LYS 25 H LYS 25 -14.901 2.666 1.233
159 HA LYS 25 HA LYS 25 -12.230 2.461 0.221
160 HB2 LYS 25 1HB LYS 25 -12.816 4.408 -1.139
161 HB3 LYS 25 2HB LYS 25 -14.082 3.189 -1.209
162 HG2 LYS 25 1HG LYS 25 -15.450 4.450 0.315
163 HG3 LYS 25 2HG LYS 25 -14.156 5.626 0.558
164 HD2 LYS 25 1HD LYS 25 -15.356 5.071 -2.145
165 HD3 LYS 25 2HD LYS 25 -16.010 6.289 -1.047
166 HE2 LYS 25 1HE LYS 25 -14.200 7.670 -1.283
167 HE3 LYS 25 2HE LYS 25 -13.095 6.341 -1.630
168 HZ1 LYS 25 3HZ LYS 25 -13.875 7.978 -3.499
169 HZ2 LYS 25 1HZ LYS 25 -15.204 6.934 -3.574
170 HZ3 LYS 25 2HZ LYS 25 -13.642 6.335 -3.827
171 H ALA 26 H ALA 26 -13.944 4.729 2.334
172 HA ALA 26 HA ALA 26 -12.095 6.711 2.667
173 HB1 ALA 26 3HB ALA 26 -14.314 6.677 3.730
174 HB2 ALA 26 1HB ALA 26 -13.726 5.477 4.883
175 HB3 ALA 26 2HB ALA 26 -13.032 7.099 4.866
176 H HIS 27 H HIS 27 -12.114 3.535 4.229
177 HA HIS 27 HA HIS 27 -9.892 4.002 5.916
178 HB2 HIS 27 1HB HIS 27 -11.328 1.562 4.941
179 HB3 HIS 27 2HB HIS 27 -9.788 1.378 5.776
180 HD1 HIS 27 HD1 HIS 27 -10.568 0.439 7.964
181 HD2 HIS 27 HD2 HIS 27 -12.632 3.879 6.881
182 HE1 HIS 27 HE1 HIS 27 -11.971 1.039 9.963
183 H LEU 28 H LEU 28 -10.148 2.273 2.809
184 HA LEU 28 HA LEU 28 -7.431 1.691 2.516
185 HB2 LEU 28 1HB LEU 28 -8.924 0.554 1.113
186 HB3 LEU 28 2HB LEU 28 -9.672 2.050 0.556
187 HG LEU 28 HG LEU 28 -7.326 2.502 -0.495
188 HD11 LEU 28 1HD1 LEU 28 -7.296 -0.506 -0.321
189 HD12 LEU 28 2HD1 LEU 28 -6.255 0.568 0.611
190 HD13 LEU 28 3HD1 LEU 28 -6.124 0.521 -1.147
191 HD21 LEU 28 3HD2 LEU 28 -9.693 1.099 -1.398
192 HD22 LEU 28 1HD2 LEU 28 -8.254 0.605 -2.290
193 HD23 LEU 28 2HD2 LEU 28 -8.710 2.308 -2.227
194 H ALA 29 H ALA 29 -9.269 4.300 0.915
195 HA ALA 29 HA ALA 29 -7.247 5.635 -0.332
196 HB1 ALA 29 3HB ALA 29 -8.813 7.690 0.697
197 HB2 ALA 29 1HB ALA 29 -9.036 6.852 -0.839
198 HB3 ALA 29 2HB ALA 29 -9.897 6.301 0.599
199 H GLN 30 H GLN 30 -8.246 6.059 3.053
200 HA GLN 30 HA GLN 30 -6.325 8.041 3.666
201 HB2 GLN 30 1HB GLN 30 -8.115 6.253 5.243
202 HB3 GLN 30 2HB GLN 30 -6.791 7.048 6.084
203 HG2 GLN 30 1HG GLN 30 -7.677 9.137 5.802
204 HG3 GLN 30 2HG GLN 30 -8.568 8.683 4.351
205 HE21 GLN 30 1HE2 GLN 30 -8.557 8.727 7.816
206 HE22 GLN 30 2HE2 GLN 30 -10.219 8.308 8.034
207 H HIS 31 H HIS 31 -6.332 4.519 4.008
208 HA HIS 31 HA HIS 31 -3.990 4.172 5.441
209 HB2 HIS 31 1HB HIS 31 -5.129 2.191 5.148
210 HB3 HIS 31 2HB HIS 31 -5.477 2.517 3.453
211 HD1 HIS 31 HD1 HIS 31 -2.344 1.830 5.516
212 HD2 HIS 31 HD2 HIS 31 -4.040 0.912 1.836
213 HE1 HIS 31 HE1 HIS 31 -0.719 0.271 4.397
214 H GLN 32 H GLN 32 -4.377 4.314 1.904
215 HA GLN 32 HA GLN 32 -1.891 3.893 0.980
216 HB2 GLN 32 1HB GLN 32 -3.786 6.097 0.166
217 HB3 GLN 32 2HB GLN 32 -2.333 5.693 -0.739
218 HG2 GLN 32 1HG GLN 32 -3.197 3.409 -1.054
219 HG3 GLN 32 2HG GLN 32 -4.675 3.878 -0.215
220 HE21 GLN 32 1HE2 GLN 32 -5.575 6.045 -1.167
221 HE22 GLN 32 2HE2 GLN 32 -5.732 6.056 -2.887
222 H LYS 33 H LYS 33 -2.992 6.972 2.372
223 HA LYS 33 HA LYS 33 -0.893 8.620 2.052
224 HB2 LYS 33 1HB LYS 33 -2.488 8.133 4.566
225 HB3 LYS 33 2HB LYS 33 -1.341 9.456 4.410
226 HG2 LYS 33 1HG LYS 33 -2.615 10.396 2.586
227 HG3 LYS 33 2HG LYS 33 -3.728 9.027 2.624
228 HD2 LYS 33 1HD LYS 33 -4.527 9.650 4.792
229 HD3 LYS 33 2HD LYS 33 -3.276 10.886 4.954
230 HE2 LYS 33 1HE LYS 33 -5.194 12.088 4.377
231 HE3 LYS 33 2HE LYS 33 -4.310 11.936 2.859
232 HZ1 LYS 33 3HZ LYS 33 -6.764 11.467 2.764
233 HZ2 LYS 33 1HZ LYS 33 -6.459 10.056 3.645
234 HZ3 LYS 33 2HZ LYS 33 -5.766 10.264 2.117
235 H THR 34 H THR 34 -1.038 5.997 4.433
236 HA THR 34 HA THR 34 1.400 6.465 5.706
237 HB THR 34 HB THR 34 1.349 4.108 6.383
238 HG1 THR 34 HG1 THR 34 -0.649 2.962 5.529
239 HG21 THR 34 3HG2 THR 34 -1.265 4.185 7.031
240 HG22 THR 34 1HG2 THR 34 -1.014 5.870 6.576
241 HG23 THR 34 2HG2 THR 34 -0.033 5.145 7.850
242 H HIS 35 H HIS 35 0.688 4.293 2.971
243 HA HIS 35 HA HIS 35 3.142 3.207 2.501
244 HB2 HIS 35 1HB HIS 35 0.917 4.038 0.688
245 HB3 HIS 35 2HB HIS 35 2.435 3.507 -0.031
246 HD1 HIS 35 HD1 HIS 35 3.179 1.151 1.697
247 HD2 HIS 35 HD2 HIS 35 -0.712 1.893 0.445
248 HE1 HIS 35 HE1 HIS 35 2.002 -1.068 1.810
249 H THR 36 H THR 36 2.033 6.417 1.505
250 HA THR 36 HA THR 36 3.137 8.179 0.539
251 HB THR 36 HB THR 36 5.375 7.344 2.388
252 HG1 THR 36 HG1 THR 36 4.202 8.068 4.031
253 HG21 THR 36 3HG2 THR 36 6.196 9.150 1.217
254 HG22 THR 36 1HG2 THR 36 5.394 9.968 2.557
255 HG23 THR 36 2HG2 THR 36 4.600 9.863 0.985
256 H GLY 37 H GLY 37 3.373 5.871 -1.030
257 HA2 GLY 37 1HA GLY 37 6.044 6.315 -2.200
258 HA3 GLY 37 2HA GLY 37 5.412 4.687 -2.004
259 H GLU 38 H GLU 38 6.207 6.154 -4.436
260 HA GLU 38 HA GLU 38 3.622 6.152 -5.850
261 HB2 GLU 38 1HB GLU 38 4.886 8.312 -5.849
262 HB3 GLU 38 2HB GLU 38 6.184 7.502 -6.715
263 HG2 GLU 38 1HG GLU 38 3.407 7.466 -7.808
264 HG3 GLU 38 2HG GLU 38 4.428 8.887 -8.020
265 H LYS 39 H LYS 39 3.383 4.143 -6.639
266 HA LYS 39 HA LYS 39 5.577 3.067 -8.284
267 HB2 LYS 39 1HB LYS 39 3.728 1.623 -6.393
268 HB3 LYS 39 2HB LYS 39 4.601 0.783 -7.667
269 HG2 LYS 39 1HG LYS 39 6.720 1.702 -6.693
270 HG3 LYS 39 2HG LYS 39 5.758 2.281 -5.331
271 HD2 LYS 39 1HD LYS 39 5.060 0.012 -4.825
272 HD3 LYS 39 2HD LYS 39 5.934 -0.594 -6.234
273 HE2 LYS 39 1HE LYS 39 7.442 -1.021 -4.549
274 HE3 LYS 39 2HE LYS 39 7.981 0.565 -5.101
275 HZ1 LYS 39 3HZ LYS 39 5.993 0.483 -2.961
276 HZ2 LYS 39 1HZ LYS 39 7.265 1.570 -3.214
277 HZ3 LYS 39 2HZ LYS 39 7.576 0.039 -2.566
278 HA PRO 40 HA PRO 40 2.747 2.794 -11.628
279 HB2 PRO 40 1HB PRO 40 3.625 0.561 -12.897
280 HB3 PRO 40 2HB PRO 40 4.513 2.089 -12.917
281 HG2 PRO 40 1HG PRO 40 4.954 -0.337 -11.219
282 HG3 PRO 40 2HG PRO 40 6.147 0.681 -12.046
283 HD2 PRO 40 1HD PRO 40 5.623 0.908 -9.399
284 HD3 PRO 40 2HD PRO 40 6.096 2.295 -10.401
285 H SER 41 H SER 41 1.461 0.946 -12.885
286 HA SER 41 HA SER 41 -0.229 -0.285 -10.867
287 HB2 SER 41 1HB SER 41 -1.453 0.850 -12.552
288 HB3 SER 41 2HB SER 41 -0.503 0.118 -13.845
289 HG SER 41 HG SER 41 -2.215 -1.313 -12.090
290 H GLY 42 H GLY 42 0.214 -2.263 -10.167
291 HA2 GLY 42 1HA GLY 42 1.987 -4.042 -11.476
292 HA3 GLY 42 2HA GLY 42 0.957 -4.436 -10.108
293 HA PRO 43 HA PRO 43 -0.474 -6.712 -13.946
294 HB2 PRO 43 1HB PRO 43 -0.269 -9.203 -12.887
295 HB3 PRO 43 2HB PRO 43 1.068 -8.400 -13.717
296 HG2 PRO 43 1HG PRO 43 0.544 -8.659 -10.782
297 HG3 PRO 43 2HG PRO 43 2.070 -8.838 -11.665
298 HD2 PRO 43 1HD PRO 43 1.425 -6.581 -10.317
299 HD3 PRO 43 2HD PRO 43 2.409 -6.562 -11.794
300 H SER 44 H SER 44 -2.209 -8.579 -13.863
301 HA SER 44 HA SER 44 -4.380 -9.090 -13.407
302 HB2 SER 44 1HB SER 44 -3.320 -10.068 -11.390
303 HB3 SER 44 2HB SER 44 -3.551 -8.537 -10.547
304 HG SER 44 HG SER 44 -5.728 -8.836 -10.592
305 H SER 45 H SER 45 -3.980 -6.479 -14.241
306 HA SER 45 HA SER 45 -4.971 -4.417 -12.719
307 HB2 SER 45 1HB SER 45 -4.105 -3.908 -14.876
308 HB3 SER 45 2HB SER 45 -5.260 -4.978 -15.672
309 HG SER 45 HG SER 45 -6.708 -3.447 -15.616
310 H GLY 46 H GLY 46 -6.837 -6.696 -14.717
311 HA2 GLY 46 1HA GLY 46 -9.019 -7.398 -14.539
312 HA3 GLY 46 2HA GLY 46 -9.034 -6.713 -12.920
Start of MODEL 2
1 H1 GLY 1 H GLY 1 8.146 -24.080 7.939
2 HA2 GLY 1 1HA GLY 1 7.497 -21.255 7.621
3 HA3 GLY 1 2HA GLY 1 6.991 -22.565 6.565
4 H SER 2 H SER 2 5.237 -20.579 7.391
5 HA SER 2 HA SER 2 3.424 -22.119 9.129
6 HB2 SER 2 1HB SER 2 4.229 -20.234 10.420
7 HB3 SER 2 2HB SER 2 3.854 -19.122 9.103
8 HG SER 2 HG SER 2 2.270 -19.269 10.863
9 H SER 3 H SER 3 1.298 -22.215 8.526
10 HA SER 3 HA SER 3 0.391 -20.633 6.247
11 HB2 SER 3 1HB SER 3 1.385 -22.769 5.358
12 HB3 SER 3 2HB SER 3 0.145 -23.648 6.251
13 HG SER 3 HG SER 3 -0.273 -21.735 4.196
14 H GLY 4 H GLY 4 -1.407 -19.711 6.974
15 HA2 GLY 4 1HA GLY 4 -3.161 -21.261 8.765
16 HA3 GLY 4 2HA GLY 4 -3.102 -19.507 8.680
17 H SER 5 H SER 5 -4.046 -18.447 6.859
18 HA SER 5 HA SER 5 -5.729 -20.066 5.113
19 HB2 SER 5 1HB SER 5 -7.760 -18.857 5.650
20 HB3 SER 5 2HB SER 5 -7.102 -19.546 7.133
21 HG SER 5 HG SER 5 -6.622 -17.593 7.852
22 H SER 6 H SER 6 -5.259 -19.386 3.140
23 HA SER 6 HA SER 6 -4.711 -16.521 2.725
24 HB2 SER 6 1HB SER 6 -3.636 -18.992 1.394
25 HB3 SER 6 2HB SER 6 -3.614 -17.444 0.550
26 HG SER 6 HG SER 6 -2.284 -18.193 2.919
27 H GLY 7 H GLY 7 -6.799 -15.826 2.337
28 HA2 GLY 7 1HA GLY 7 -8.346 -17.162 0.244
29 HA3 GLY 7 2HA GLY 7 -8.929 -15.901 1.320
30 H THR 8 H THR 8 -9.114 -16.127 -1.603
31 HA THR 8 HA THR 8 -7.311 -14.354 -2.856
32 HB THR 8 HB THR 8 -9.070 -14.170 -4.636
33 HG1 THR 8 HG1 THR 8 -10.542 -15.401 -2.624
34 HG21 THR 8 3HG2 THR 8 -8.454 -16.167 -5.517
35 HG22 THR 8 1HG2 THR 8 -8.918 -17.068 -4.074
36 HG23 THR 8 2HG2 THR 8 -7.381 -16.203 -4.117
37 H GLY 9 H GLY 9 -10.502 -13.860 -1.388
38 HA2 GLY 9 1HA GLY 9 -11.207 -11.898 -0.309
39 HA3 GLY 9 2HA GLY 9 -9.861 -11.037 -1.042
40 H GLU 10 H GLU 10 -13.066 -11.051 -0.955
41 HA GLU 10 HA GLU 10 -13.338 -10.290 -3.789
42 HB2 GLU 10 1HB GLU 10 -14.653 -12.331 -2.869
43 HB3 GLU 10 2HB GLU 10 -15.662 -11.127 -2.082
44 HG2 GLU 10 1HG GLU 10 -15.133 -10.849 -4.992
45 HG3 GLU 10 2HG GLU 10 -16.262 -12.090 -4.450
46 H LYS 11 H LYS 11 -12.378 -8.444 -2.000
47 HA LYS 11 HA LYS 11 -14.651 -6.769 -1.231
48 HB2 LYS 11 1HB LYS 11 -11.717 -6.720 -0.571
49 HB3 LYS 11 2HB LYS 11 -12.743 -5.328 -0.253
50 HG2 LYS 11 1HG LYS 11 -12.587 -6.586 1.755
51 HG3 LYS 11 2HG LYS 11 -14.212 -6.821 1.107
52 HD2 LYS 11 1HD LYS 11 -13.596 -8.980 0.224
53 HD3 LYS 11 2HD LYS 11 -11.915 -8.735 0.704
54 HE2 LYS 11 1HE LYS 11 -12.889 -8.459 3.085
55 HE3 LYS 11 2HE LYS 11 -14.319 -9.246 2.419
56 HZ1 LYS 11 3HZ LYS 11 -11.900 -10.415 3.265
57 HZ2 LYS 11 1HZ LYS 11 -12.120 -10.741 1.620
58 HZ3 LYS 11 2HZ LYS 11 -13.314 -11.177 2.735
59 HA PRO 12 HA PRO 12 -14.261 -4.114 -4.717
60 HB2 PRO 12 1HB PRO 12 -15.277 -1.828 -3.662
61 HB3 PRO 12 2HB PRO 12 -16.280 -3.221 -4.082
62 HG2 PRO 12 1HG PRO 12 -15.219 -2.387 -1.409
63 HG3 PRO 12 2HG PRO 12 -16.834 -2.985 -1.835
64 HD2 PRO 12 1HD PRO 12 -14.948 -4.563 -0.701
65 HD3 PRO 12 2HD PRO 12 -16.153 -5.187 -1.846
66 H TYR 13 H TYR 13 -12.719 -3.404 -1.699
67 HA TYR 13 HA TYR 13 -10.889 -1.557 -3.088
68 HB2 TYR 13 1HB TYR 13 -11.490 -1.484 -0.131
69 HB3 TYR 13 2HB TYR 13 -10.619 -0.288 -1.084
70 HD1 TYR 13 HD1 TYR 13 -11.884 1.103 -2.748
71 HD2 TYR 13 HD2 TYR 13 -13.845 -1.400 0.079
72 HE1 TYR 13 HE1 TYR 13 -13.974 2.350 -3.103
73 HE2 TYR 13 HE2 TYR 13 -15.941 -0.161 -0.269
74 HH TYR 13 HH TYR 13 -16.117 2.543 -2.568
75 H GLU 14 H GLU 14 -8.987 -2.489 -3.400
76 HA GLU 14 HA GLU 14 -7.816 -4.072 -1.223
77 HB2 GLU 14 1HB GLU 14 -8.851 -5.386 -3.275
78 HB3 GLU 14 2HB GLU 14 -7.332 -4.938 -4.038
79 HG2 GLU 14 1HG GLU 14 -6.722 -6.935 -3.168
80 HG3 GLU 14 2HG GLU 14 -6.332 -5.904 -1.792
81 H CYS 15 H CYS 15 -5.737 -3.616 -0.805
82 HA CYS 15 HA CYS 15 -4.488 -1.453 -2.232
83 HB2 CYS 15 1HB CYS 15 -4.416 -2.094 0.339
84 HB3 CYS 15 2HB CYS 15 -3.022 -3.041 -0.171
85 H LYS 16 H LYS 16 -2.166 -1.604 -2.889
86 HA LYS 16 HA LYS 16 -1.710 -4.141 -4.310
87 HB2 LYS 16 1HB LYS 16 -0.882 -1.312 -4.951
88 HB3 LYS 16 2HB LYS 16 -0.206 -2.709 -5.778
89 HG2 LYS 16 1HG LYS 16 -2.160 -3.176 -6.883
90 HG3 LYS 16 2HG LYS 16 -3.165 -2.393 -5.662
91 HD2 LYS 16 1HD LYS 16 -3.294 -0.834 -7.330
92 HD3 LYS 16 2HD LYS 16 -1.866 -0.242 -6.478
93 HE2 LYS 16 1HE LYS 16 -0.407 -1.256 -8.069
94 HE3 LYS 16 2HE LYS 16 -1.740 -2.130 -8.822
95 HZ1 LYS 16 3HZ LYS 16 -1.004 0.697 -9.057
96 HZ2 LYS 16 1HZ LYS 16 -2.639 0.283 -9.184
97 HZ3 LYS 16 2HZ LYS 16 -1.512 -0.387 -10.252
98 H VAL 17 H VAL 17 -0.068 -1.558 -2.517
99 HA VAL 17 HA VAL 17 2.494 -2.699 -2.490
100 HB VAL 17 HB VAL 17 1.231 -0.915 -0.403
101 HG11 VAL 17 1HG1 VAL 17 3.176 -1.896 0.539
102 HG12 VAL 17 2HG1 VAL 17 4.094 -1.668 -0.950
103 HG13 VAL 17 3HG1 VAL 17 3.628 -0.272 0.023
104 HG21 VAL 17 3HG2 VAL 17 1.678 0.885 -1.694
105 HG22 VAL 17 1HG2 VAL 17 3.137 0.165 -2.377
106 HG23 VAL 17 2HG2 VAL 17 1.552 -0.290 -3.003
107 H CYS 18 H CYS 18 0.220 -2.579 0.259
108 HA CYS 18 HA CYS 18 1.570 -4.807 1.516
109 HB2 CYS 18 1HB CYS 18 0.080 -4.416 3.387
110 HB3 CYS 18 2HB CYS 18 0.731 -2.877 2.834
111 H SER 19 H SER 19 -1.140 -4.314 -0.527
112 HA SER 19 HA SER 19 -2.665 -5.730 -1.446
113 HB2 SER 19 1HB SER 19 -0.558 -7.619 -0.476
114 HB3 SER 19 2HB SER 19 -2.091 -8.279 -1.045
115 HG SER 19 HG SER 19 -0.251 -6.667 -2.475
116 H LYS 20 H LYS 20 -3.531 -4.612 0.806
117 HA LYS 20 HA LYS 20 -4.699 -6.779 2.415
118 HB2 LYS 20 1HB LYS 20 -3.358 -4.714 3.385
119 HB3 LYS 20 2HB LYS 20 -4.911 -3.907 3.211
120 HG2 LYS 20 1HG LYS 20 -5.908 -5.792 4.554
121 HG3 LYS 20 2HG LYS 20 -4.255 -6.308 4.894
122 HD2 LYS 20 1HD LYS 20 -3.810 -4.475 6.207
123 HD3 LYS 20 2HD LYS 20 -5.003 -3.465 5.388
124 HE2 LYS 20 1HE LYS 20 -5.703 -5.790 7.174
125 HE3 LYS 20 2HE LYS 20 -5.606 -4.120 7.729
126 HZ1 LYS 20 3HZ LYS 20 -7.325 -3.544 6.107
127 HZ2 LYS 20 1HZ LYS 20 -7.873 -4.703 7.211
128 HZ3 LYS 20 2HZ LYS 20 -7.442 -5.166 5.642
129 H ALA 21 H ALA 21 -6.954 -6.480 3.118
130 HA ALA 21 HA ALA 21 -8.554 -5.154 1.026
131 HB1 ALA 21 3HB ALA 21 -8.502 -7.813 1.506
132 HB2 ALA 21 1HB ALA 21 -9.827 -7.318 2.559
133 HB3 ALA 21 2HB ALA 21 -9.889 -6.956 0.834
134 H PHE 22 H PHE 22 -10.228 -3.855 1.623
135 HA PHE 22 HA PHE 22 -10.742 -3.560 4.507
136 HB2 PHE 22 1HB PHE 22 -10.645 -1.288 2.515
137 HB3 PHE 22 2HB PHE 22 -10.873 -1.158 4.255
138 HD1 PHE 22 HD1 PHE 22 -8.467 -1.760 1.571
139 HD2 PHE 22 HD2 PHE 22 -9.015 -1.396 5.776
140 HE1 PHE 22 HE1 PHE 22 -6.033 -1.551 1.866
141 HE2 PHE 22 HE2 PHE 22 -6.583 -1.186 6.078
142 HZ PHE 22 HZ PHE 22 -5.088 -1.262 4.122
143 H THR 23 H THR 23 -12.842 -2.731 5.063
144 HA THR 23 HA THR 23 -14.903 -3.795 3.359
145 HB THR 23 HB THR 23 -15.110 -4.087 5.761
146 HG1 THR 23 HG1 THR 23 -17.014 -3.575 4.305
147 HG21 THR 23 3HG2 THR 23 -15.265 -1.073 5.893
148 HG22 THR 23 1HG2 THR 23 -13.945 -2.071 6.499
149 HG23 THR 23 2HG2 THR 23 -15.541 -2.175 7.242
150 H GLN 24 H GLN 24 -13.873 -0.589 4.437
151 HA GLN 24 HA GLN 24 -15.746 0.590 2.492
152 HB2 GLN 24 1HB GLN 24 -14.644 1.730 5.062
153 HB3 GLN 24 2HB GLN 24 -15.539 2.677 3.881
154 HG2 GLN 24 1HG GLN 24 -17.324 0.776 4.199
155 HG3 GLN 24 2HG GLN 24 -16.492 0.564 5.738
156 HE21 GLN 24 1HE2 GLN 24 -17.772 3.172 3.699
157 HE22 GLN 24 2HE2 GLN 24 -18.457 4.083 4.998
158 H LYS 25 H LYS 25 -14.979 2.726 1.604
159 HA LYS 25 HA LYS 25 -12.373 2.355 0.459
160 HB2 LYS 25 1HB LYS 25 -14.294 3.263 -0.824
161 HB3 LYS 25 2HB LYS 25 -14.268 4.697 0.194
162 HG2 LYS 25 1HG LYS 25 -12.024 5.229 -0.603
163 HG3 LYS 25 2HG LYS 25 -12.041 3.785 -1.619
164 HD2 LYS 25 1HD LYS 25 -14.007 4.692 -2.812
165 HD3 LYS 25 2HD LYS 25 -13.894 6.159 -1.836
166 HE2 LYS 25 1HE LYS 25 -11.700 5.118 -3.624
167 HE3 LYS 25 2HE LYS 25 -12.858 6.363 -4.088
168 HZ1 LYS 25 3HZ LYS 25 -10.463 6.778 -2.855
169 HZ2 LYS 25 1HZ LYS 25 -11.582 6.940 -1.596
170 HZ3 LYS 25 2HZ LYS 25 -11.722 7.900 -2.981
171 H ALA 26 H ALA 26 -13.857 4.819 2.555
172 HA ALA 26 HA ALA 26 -11.872 6.611 2.906
173 HB1 ALA 26 3HB ALA 26 -13.017 7.315 4.706
174 HB2 ALA 26 1HB ALA 26 -14.188 6.092 4.212
175 HB3 ALA 26 2HB ALA 26 -13.004 5.724 5.467
176 H HIS 27 H HIS 27 -12.016 3.404 4.394
177 HA HIS 27 HA HIS 27 -9.747 3.666 6.036
178 HB2 HIS 27 1HB HIS 27 -11.163 1.290 4.847
179 HB3 HIS 27 2HB HIS 27 -9.715 1.096 5.831
180 HD1 HIS 27 HD1 HIS 27 -12.408 -0.068 6.751
181 HD2 HIS 27 HD2 HIS 27 -10.982 3.673 7.863
182 HE1 HIS 27 HE1 HIS 27 -13.584 0.488 8.903
183 H LEU 28 H LEU 28 -10.125 2.521 2.708
184 HA LEU 28 HA LEU 28 -7.422 1.746 2.354
185 HB2 LEU 28 1HB LEU 28 -9.190 0.904 0.926
186 HB3 LEU 28 2HB LEU 28 -9.524 2.532 0.341
187 HG LEU 28 HG LEU 28 -7.017 2.406 -0.455
188 HD11 LEU 28 1HD1 LEU 28 -6.072 0.370 -0.708
189 HD12 LEU 28 2HD1 LEU 28 -7.619 -0.444 -0.942
190 HD13 LEU 28 3HD1 LEU 28 -7.086 -0.015 0.684
191 HD21 LEU 28 3HD2 LEU 28 -7.811 1.562 -2.619
192 HD22 LEU 28 1HD2 LEU 28 -8.929 2.731 -1.917
193 HD23 LEU 28 2HD2 LEU 28 -9.298 1.008 -1.849
194 H ALA 29 H ALA 29 -9.202 4.636 1.262
195 HA ALA 29 HA ALA 29 -7.071 5.991 0.105
196 HB1 ALA 29 3HB ALA 29 -8.723 7.934 1.304
197 HB2 ALA 29 1HB ALA 29 -8.746 7.365 -0.366
198 HB3 ALA 29 2HB ALA 29 -9.764 6.586 0.846
199 H GLN 30 H GLN 30 -8.267 6.176 3.451
200 HA GLN 30 HA GLN 30 -6.314 8.032 4.322
201 HB2 GLN 30 1HB GLN 30 -8.442 7.667 5.506
202 HB3 GLN 30 2HB GLN 30 -7.919 6.045 5.940
203 HG2 GLN 30 1HG GLN 30 -6.005 7.070 7.164
204 HG3 GLN 30 2HG GLN 30 -6.723 8.649 6.850
205 HE21 GLN 30 1HE2 GLN 30 -6.893 5.739 8.688
206 HE22 GLN 30 2HE2 GLN 30 -8.145 6.239 9.768
207 H HIS 31 H HIS 31 -6.138 4.729 3.593
208 HA HIS 31 HA HIS 31 -3.879 4.225 5.366
209 HB2 HIS 31 1HB HIS 31 -5.194 2.320 5.298
210 HB3 HIS 31 2HB HIS 31 -5.600 2.533 3.597
211 HD1 HIS 31 HD1 HIS 31 -2.555 1.622 5.690
212 HD2 HIS 31 HD2 HIS 31 -4.208 0.900 1.947
213 HE1 HIS 31 HE1 HIS 31 -1.050 -0.076 4.606
214 H GLN 32 H GLN 32 -4.444 3.615 1.896
215 HA GLN 32 HA GLN 32 -1.958 3.245 0.974
216 HB2 GLN 32 1HB GLN 32 -4.149 4.915 -0.246
217 HB3 GLN 32 2HB GLN 32 -2.656 4.555 -1.103
218 HG2 GLN 32 1HG GLN 32 -3.122 2.171 -0.934
219 HG3 GLN 32 2HG GLN 32 -4.608 2.519 -0.053
220 HE21 GLN 32 1HE2 GLN 32 -3.017 2.576 -3.134
221 HE22 GLN 32 2HE2 GLN 32 -4.427 2.862 -4.089
222 H LYS 33 H LYS 33 -3.358 6.451 1.598
223 HA LYS 33 HA LYS 33 -1.494 8.181 0.766
224 HB2 LYS 33 1HB LYS 33 -2.045 9.642 2.609
225 HB3 LYS 33 2HB LYS 33 -3.496 8.786 2.103
226 HG2 LYS 33 1HG LYS 33 -3.181 7.210 3.974
227 HG3 LYS 33 2HG LYS 33 -1.788 8.157 4.502
228 HD2 LYS 33 1HD LYS 33 -4.543 9.326 4.165
229 HD3 LYS 33 2HD LYS 33 -3.965 8.644 5.687
230 HE2 LYS 33 1HE LYS 33 -2.441 10.332 6.020
231 HE3 LYS 33 2HE LYS 33 -2.298 10.688 4.299
232 HZ1 LYS 33 3HZ LYS 33 -4.932 11.204 5.078
233 HZ2 LYS 33 1HZ LYS 33 -3.761 12.308 4.557
234 HZ3 LYS 33 2HZ LYS 33 -3.915 11.953 6.203
235 H THR 34 H THR 34 -1.196 6.237 3.720
236 HA THR 34 HA THR 34 1.239 7.249 4.627
237 HB THR 34 HB THR 34 -0.401 5.549 5.739
238 HG1 THR 34 HG1 THR 34 1.262 6.170 6.990
239 HG21 THR 34 3HG2 THR 34 0.367 3.232 5.636
240 HG22 THR 34 1HG2 THR 34 1.580 3.676 4.436
241 HG23 THR 34 2HG2 THR 34 -0.135 3.794 4.041
242 H HIS 35 H HIS 35 0.586 4.526 2.440
243 HA HIS 35 HA HIS 35 3.146 3.567 2.085
244 HB2 HIS 35 1HB HIS 35 0.783 3.729 0.234
245 HB3 HIS 35 2HB HIS 35 2.306 3.032 -0.309
246 HD1 HIS 35 HD1 HIS 35 3.072 1.439 2.208
247 HD2 HIS 35 HD2 HIS 35 -0.737 1.494 0.550
248 HE1 HIS 35 HE1 HIS 35 1.967 -0.680 2.991
249 H THR 36 H THR 36 1.532 5.997 0.030
250 HA THR 36 HA THR 36 3.717 6.627 -1.569
251 HB THR 36 HB THR 36 1.516 8.511 -0.702
252 HG1 THR 36 HG1 THR 36 0.501 6.842 -1.689
253 HG21 THR 36 3HG2 THR 36 1.999 9.514 -2.982
254 HG22 THR 36 1HG2 THR 36 3.489 8.572 -2.976
255 HG23 THR 36 2HG2 THR 36 3.215 9.797 -1.737
256 H GLY 37 H GLY 37 2.693 8.056 1.515
257 HA2 GLY 37 1HA GLY 37 4.395 10.184 1.745
258 HA3 GLY 37 2HA GLY 37 3.928 9.174 3.105
259 H GLU 38 H GLU 38 6.485 10.253 1.216
260 HA GLU 38 HA GLU 38 8.275 8.129 1.203
261 HB2 GLU 38 1HB GLU 38 8.572 11.101 1.233
262 HB3 GLU 38 2HB GLU 38 10.004 10.111 1.477
263 HG2 GLU 38 1HG GLU 38 9.996 9.317 -0.655
264 HG3 GLU 38 2HG GLU 38 8.246 9.454 -0.818
265 H LYS 39 H LYS 39 9.059 6.956 2.810
266 HA LYS 39 HA LYS 39 9.463 8.244 5.431
267 HB2 LYS 39 1HB LYS 39 8.418 5.516 4.731
268 HB3 LYS 39 2HB LYS 39 9.174 5.812 6.291
269 HG2 LYS 39 1HG LYS 39 6.969 7.591 5.355
270 HG3 LYS 39 2HG LYS 39 6.597 6.004 6.032
271 HD2 LYS 39 1HD LYS 39 7.411 6.561 8.124
272 HD3 LYS 39 2HD LYS 39 8.445 7.845 7.492
273 HE2 LYS 39 1HE LYS 39 6.793 9.112 8.425
274 HE3 LYS 39 2HE LYS 39 6.118 8.895 6.812
275 HZ1 LYS 39 3HZ LYS 39 5.264 7.739 9.355
276 HZ2 LYS 39 1HZ LYS 39 5.091 6.780 7.972
277 HZ3 LYS 39 2HZ LYS 39 4.336 8.291 8.053
278 HA PRO 40 HA PRO 40 13.586 6.829 3.920
279 HB2 PRO 40 1HB PRO 40 14.924 8.972 4.915
280 HB3 PRO 40 2HB PRO 40 14.137 8.981 3.332
281 HG2 PRO 40 1HG PRO 40 13.162 10.082 5.940
282 HG3 PRO 40 2HG PRO 40 13.081 10.802 4.321
283 HD2 PRO 40 1HD PRO 40 10.964 9.569 5.474
284 HD3 PRO 40 2HD PRO 40 11.239 9.553 3.720
285 H SER 41 H SER 41 13.196 5.160 5.589
286 HA SER 41 HA SER 41 13.871 5.739 8.320
287 HB2 SER 41 1HB SER 41 13.658 3.307 8.654
288 HB3 SER 41 2HB SER 41 12.276 3.955 7.771
289 HG SER 41 HG SER 41 13.618 3.315 5.837
290 H GLY 42 H GLY 42 15.484 4.191 5.574
291 HA2 GLY 42 1HA GLY 42 17.879 4.561 5.319
292 HA3 GLY 42 2HA GLY 42 18.021 4.432 7.066
293 HA PRO 43 HA PRO 43 18.442 0.248 4.724
294 HB2 PRO 43 1HB PRO 43 21.113 0.191 4.242
295 HB3 PRO 43 2HB PRO 43 19.939 0.813 3.076
296 HG2 PRO 43 1HG PRO 43 21.682 2.313 4.992
297 HG3 PRO 43 2HG PRO 43 21.318 2.673 3.295
298 HD2 PRO 43 1HD PRO 43 20.096 3.945 5.348
299 HD3 PRO 43 2HD PRO 43 19.282 3.626 3.803
300 H SER 44 H SER 44 19.459 -1.635 5.622
301 HA SER 44 HA SER 44 20.976 -1.263 8.091
302 HB2 SER 44 1HB SER 44 18.394 -1.447 8.476
303 HB3 SER 44 2HB SER 44 18.650 -3.159 8.140
304 HG SER 44 HG SER 44 20.182 -1.743 10.050
305 H SER 45 H SER 45 22.031 -3.203 8.832
306 HA SER 45 HA SER 45 23.070 -4.757 6.692
307 HB2 SER 45 1HB SER 45 23.443 -4.726 9.665
308 HB3 SER 45 2HB SER 45 24.061 -6.088 8.731
309 HG SER 45 HG SER 45 24.640 -3.388 8.101
310 H GLY 46 H GLY 46 20.950 -5.536 9.441
311 HA2 GLY 46 1HA GLY 46 19.820 -7.729 7.862
312 HA3 GLY 46 2HA GLY 46 20.514 -8.125 9.428
Start of MODEL 3
1 H1 GLY 1 H GLY 1 5.886 -21.036 -9.718
2 HA2 GLY 1 1HA GLY 1 5.179 -21.657 -6.987
3 HA3 GLY 1 2HA GLY 1 6.756 -21.866 -7.733
4 H SER 2 H SER 2 8.159 -20.826 -6.469
5 HA SER 2 HA SER 2 7.823 -18.839 -4.686
6 HB2 SER 2 1HB SER 2 10.156 -19.152 -6.588
7 HB3 SER 2 2HB SER 2 10.179 -18.136 -5.147
8 HG SER 2 HG SER 2 10.366 -19.855 -3.933
9 H SER 3 H SER 3 8.191 -16.531 -4.694
10 HA SER 3 HA SER 3 7.776 -14.410 -5.403
11 HB2 SER 3 1HB SER 3 8.444 -15.552 -8.128
12 HB3 SER 3 2HB SER 3 8.329 -13.835 -7.740
13 HG SER 3 HG SER 3 10.478 -14.475 -7.634
14 H GLY 4 H GLY 4 5.564 -15.971 -4.975
15 HA2 GLY 4 1HA GLY 4 3.768 -15.459 -7.243
16 HA3 GLY 4 2HA GLY 4 3.428 -16.520 -5.883
17 H SER 5 H SER 5 2.174 -13.994 -7.195
18 HA SER 5 HA SER 5 1.829 -12.465 -4.701
19 HB2 SER 5 1HB SER 5 1.262 -10.548 -6.037
20 HB3 SER 5 2HB SER 5 2.747 -11.233 -6.698
21 HG SER 5 HG SER 5 1.573 -12.126 -8.365
22 H SER 6 H SER 6 -0.249 -11.873 -4.035
23 HA SER 6 HA SER 6 -2.262 -13.799 -4.456
24 HB2 SER 6 1HB SER 6 -2.265 -11.088 -3.136
25 HB3 SER 6 2HB SER 6 -3.720 -12.080 -3.229
26 HG SER 6 HG SER 6 -2.025 -13.739 -2.340
27 H GLY 7 H GLY 7 -4.630 -12.840 -4.893
28 HA2 GLY 7 1HA GLY 7 -4.921 -10.847 -6.872
29 HA3 GLY 7 2HA GLY 7 -4.802 -12.419 -7.650
30 H THR 8 H THR 8 -6.153 -13.984 -5.773
31 HA THR 8 HA THR 8 -8.833 -13.548 -6.549
32 HB THR 8 HB THR 8 -7.905 -15.299 -4.270
33 HG1 THR 8 HG1 THR 8 -7.760 -16.925 -5.920
34 HG21 THR 8 3HG2 THR 8 -10.432 -14.921 -5.727
35 HG22 THR 8 1HG2 THR 8 -10.141 -15.562 -4.111
36 HG23 THR 8 2HG2 THR 8 -9.935 -16.601 -5.521
37 H GLY 9 H GLY 9 -10.180 -12.060 -5.789
38 HA2 GLY 9 1HA GLY 9 -10.562 -11.712 -2.960
39 HA3 GLY 9 2HA GLY 9 -9.807 -10.321 -3.722
40 H GLU 10 H GLU 10 -12.623 -11.230 -2.585
41 HA GLU 10 HA GLU 10 -14.214 -10.169 -4.818
42 HB2 GLU 10 1HB GLU 10 -16.148 -11.176 -3.764
43 HB3 GLU 10 2HB GLU 10 -14.882 -12.383 -3.943
44 HG2 GLU 10 1HG GLU 10 -14.254 -11.865 -1.540
45 HG3 GLU 10 2HG GLU 10 -15.782 -10.990 -1.445
46 H LYS 11 H LYS 11 -12.697 -8.353 -3.363
47 HA LYS 11 HA LYS 11 -14.802 -6.860 -1.945
48 HB2 LYS 11 1HB LYS 11 -11.866 -6.983 -1.233
49 HB3 LYS 11 2HB LYS 11 -13.044 -5.921 -0.473
50 HG2 LYS 11 1HG LYS 11 -14.169 -7.717 0.540
51 HG3 LYS 11 2HG LYS 11 -13.356 -8.906 -0.481
52 HD2 LYS 11 1HD LYS 11 -12.270 -9.075 1.587
53 HD3 LYS 11 2HD LYS 11 -11.189 -8.082 0.607
54 HE2 LYS 11 1HE LYS 11 -11.345 -7.070 2.760
55 HE3 LYS 11 2HE LYS 11 -12.253 -6.064 1.633
56 HZ1 LYS 11 3HZ LYS 11 -13.442 -6.396 3.719
57 HZ2 LYS 11 1HZ LYS 11 -13.437 -8.071 3.475
58 HZ3 LYS 11 2HZ LYS 11 -14.294 -7.065 2.419
59 HA PRO 12 HA PRO 12 -13.965 -3.690 -4.892
60 HB2 PRO 12 1HB PRO 12 -15.092 -1.607 -3.566
61 HB3 PRO 12 2HB PRO 12 -16.043 -2.866 -4.362
62 HG2 PRO 12 1HG PRO 12 -15.333 -2.573 -1.469
63 HG3 PRO 12 2HG PRO 12 -16.882 -3.030 -2.199
64 HD2 PRO 12 1HD PRO 12 -15.173 -4.849 -1.151
65 HD3 PRO 12 2HD PRO 12 -16.223 -5.213 -2.536
66 H TYR 13 H TYR 13 -12.795 -3.630 -1.642
67 HA TYR 13 HA TYR 13 -10.857 -1.534 -2.375
68 HB2 TYR 13 1HB TYR 13 -11.790 -2.249 0.411
69 HB3 TYR 13 2HB TYR 13 -10.714 -0.928 -0.031
70 HD1 TYR 13 HD1 TYR 13 -11.680 0.887 -1.594
71 HD2 TYR 13 HD2 TYR 13 -14.086 -1.882 0.561
72 HE1 TYR 13 HE1 TYR 13 -13.613 2.388 -1.837
73 HE2 TYR 13 HE2 TYR 13 -16.027 -0.390 0.323
74 HH TYR 13 HH TYR 13 -16.563 1.876 -0.115
75 H GLU 14 H GLU 14 -9.049 -2.560 -2.970
76 HA GLU 14 HA GLU 14 -7.815 -4.379 -1.046
77 HB2 GLU 14 1HB GLU 14 -9.046 -5.730 -2.783
78 HB3 GLU 14 2HB GLU 14 -7.956 -5.055 -3.985
79 HG2 GLU 14 1HG GLU 14 -6.061 -5.989 -2.599
80 HG3 GLU 14 2HG GLU 14 -7.287 -6.873 -1.693
81 H CYS 15 H CYS 15 -5.907 -3.521 -0.593
82 HA CYS 15 HA CYS 15 -4.633 -1.581 -2.221
83 HB2 CYS 15 1HB CYS 15 -4.467 -2.102 0.373
84 HB3 CYS 15 2HB CYS 15 -3.099 -3.083 -0.145
85 H LYS 16 H LYS 16 -2.334 -1.788 -2.949
86 HA LYS 16 HA LYS 16 -1.958 -4.389 -4.275
87 HB2 LYS 16 1HB LYS 16 -2.140 -2.852 -6.000
88 HB3 LYS 16 2HB LYS 16 -1.352 -1.574 -5.084
89 HG2 LYS 16 1HG LYS 16 0.778 -2.407 -5.520
90 HG3 LYS 16 2HG LYS 16 0.164 -3.999 -5.971
91 HD2 LYS 16 1HD LYS 16 -1.053 -2.646 -7.863
92 HD3 LYS 16 2HD LYS 16 0.218 -1.463 -7.544
93 HE2 LYS 16 1HE LYS 16 1.897 -2.884 -8.244
94 HE3 LYS 16 2HE LYS 16 0.940 -4.333 -7.939
95 HZ1 LYS 16 3HZ LYS 16 0.752 -4.278 -10.172
96 HZ2 LYS 16 1HZ LYS 16 1.002 -2.608 -10.281
97 HZ3 LYS 16 2HZ LYS 16 -0.515 -3.208 -9.839
98 H VAL 17 H VAL 17 -0.099 -1.694 -2.868
99 HA VAL 17 HA VAL 17 2.395 -2.908 -2.811
100 HB VAL 17 HB VAL 17 1.247 -0.954 -0.812
101 HG11 VAL 17 1HG1 VAL 17 3.188 -2.009 0.131
102 HG12 VAL 17 2HG1 VAL 17 4.097 -1.771 -1.363
103 HG13 VAL 17 3HG1 VAL 17 3.627 -0.381 -0.385
104 HG21 VAL 17 3HG2 VAL 17 2.609 0.676 -2.203
105 HG22 VAL 17 1HG2 VAL 17 2.713 -0.602 -3.414
106 HG23 VAL 17 2HG2 VAL 17 1.140 0.045 -2.948
107 H CYS 18 H CYS 18 0.261 -2.569 0.030
108 HA CYS 18 HA CYS 18 1.623 -4.754 1.351
109 HB2 CYS 18 1HB CYS 18 0.246 -4.208 3.271
110 HB3 CYS 18 2HB CYS 18 0.913 -2.726 2.593
111 H SER 19 H SER 19 -1.066 -4.376 -0.683
112 HA SER 19 HA SER 19 -2.642 -5.821 -1.460
113 HB2 SER 19 1HB SER 19 -0.612 -7.641 -0.265
114 HB3 SER 19 2HB SER 19 -2.191 -8.329 -0.641
115 HG SER 19 HG SER 19 -1.821 -7.233 -2.779
116 H LYS 20 H LYS 20 -2.919 -4.473 1.135
117 HA LYS 20 HA LYS 20 -4.428 -6.328 2.779
118 HB2 LYS 20 1HB LYS 20 -2.956 -4.517 3.728
119 HB3 LYS 20 2HB LYS 20 -4.122 -3.343 3.131
120 HG2 LYS 20 1HG LYS 20 -5.857 -4.402 4.528
121 HG3 LYS 20 2HG LYS 20 -4.632 -5.497 5.173
122 HD2 LYS 20 1HD LYS 20 -3.375 -3.245 5.702
123 HD3 LYS 20 2HD LYS 20 -5.006 -2.574 5.630
124 HE2 LYS 20 1HE LYS 20 -4.526 -3.155 7.905
125 HE3 LYS 20 2HE LYS 20 -5.718 -4.294 7.280
126 HZ1 LYS 20 3HZ LYS 20 -4.311 -5.784 8.174
127 HZ2 LYS 20 1HZ LYS 20 -2.972 -4.751 8.106
128 HZ3 LYS 20 2HZ LYS 20 -3.466 -5.586 6.721
129 H ALA 21 H ALA 21 -6.561 -6.618 2.696
130 HA ALA 21 HA ALA 21 -8.118 -5.011 0.829
131 HB1 ALA 21 3HB ALA 21 -8.597 -7.627 2.215
132 HB2 ALA 21 1HB ALA 21 -9.899 -6.766 1.393
133 HB3 ALA 21 2HB ALA 21 -8.480 -7.293 0.487
134 H PHE 22 H PHE 22 -10.060 -3.973 1.379
135 HA PHE 22 HA PHE 22 -10.571 -3.612 4.249
136 HB2 PHE 22 1HB PHE 22 -10.501 -1.360 2.230
137 HB3 PHE 22 2HB PHE 22 -10.843 -1.212 3.951
138 HD1 PHE 22 HD1 PHE 22 -8.204 -2.219 1.546
139 HD2 PHE 22 HD2 PHE 22 -9.120 -0.857 5.473
140 HE1 PHE 22 HE1 PHE 22 -5.806 -1.888 1.987
141 HE2 PHE 22 HE2 PHE 22 -6.724 -0.522 5.920
142 HZ PHE 22 HZ PHE 22 -5.063 -1.037 4.176
143 H THR 23 H THR 23 -12.711 -2.414 4.579
144 HA THR 23 HA THR 23 -14.690 -3.646 2.798
145 HB THR 23 HB THR 23 -16.309 -3.118 4.660
146 HG1 THR 23 HG1 THR 23 -15.421 -1.655 5.964
147 HG21 THR 23 3HG2 THR 23 -15.122 -5.331 4.319
148 HG22 THR 23 1HG2 THR 23 -15.719 -5.020 5.948
149 HG23 THR 23 2HG2 THR 23 -14.005 -4.823 5.585
150 H GLN 24 H GLN 24 -13.681 -0.562 4.141
151 HA GLN 24 HA GLN 24 -15.611 0.774 2.360
152 HB2 GLN 24 1HB GLN 24 -14.627 1.605 5.088
153 HB3 GLN 24 2HB GLN 24 -15.469 2.699 3.999
154 HG2 GLN 24 1HG GLN 24 -17.477 1.629 4.249
155 HG3 GLN 24 2HG GLN 24 -16.728 0.088 4.664
156 HE21 GLN 24 1HE2 GLN 24 -18.393 2.680 5.850
157 HE22 GLN 24 2HE2 GLN 24 -18.018 2.513 7.527
158 H LYS 25 H LYS 25 -14.927 2.801 1.445
159 HA LYS 25 HA LYS 25 -12.277 2.718 0.448
160 HB2 LYS 25 1HB LYS 25 -14.455 3.771 -0.557
161 HB3 LYS 25 2HB LYS 25 -13.952 5.200 0.336
162 HG2 LYS 25 1HG LYS 25 -11.919 5.348 -0.888
163 HG3 LYS 25 2HG LYS 25 -12.186 3.771 -1.635
164 HD2 LYS 25 1HD LYS 25 -14.337 4.811 -2.581
165 HD3 LYS 25 2HD LYS 25 -13.617 6.362 -2.141
166 HE2 LYS 25 1HE LYS 25 -12.086 4.366 -3.768
167 HE3 LYS 25 2HE LYS 25 -13.258 5.439 -4.531
168 HZ1 LYS 25 3HZ LYS 25 -11.701 6.992 -4.569
169 HZ2 LYS 25 1HZ LYS 25 -10.618 6.003 -3.726
170 HZ3 LYS 25 2HZ LYS 25 -11.678 7.011 -2.877
171 H ALA 26 H ALA 26 -13.881 5.106 2.560
172 HA ALA 26 HA ALA 26 -11.923 6.832 3.156
173 HB1 ALA 26 3HB ALA 26 -13.647 5.540 5.266
174 HB2 ALA 26 1HB ALA 26 -12.869 7.121 5.361
175 HB3 ALA 26 2HB ALA 26 -14.161 6.842 4.193
176 H HIS 27 H HIS 27 -12.174 3.567 4.511
177 HA HIS 27 HA HIS 27 -9.945 3.764 6.233
178 HB2 HIS 27 1HB HIS 27 -11.533 1.507 5.080
179 HB3 HIS 27 2HB HIS 27 -10.007 1.151 5.885
180 HD1 HIS 27 HD1 HIS 27 -11.410 -0.123 7.711
181 HD2 HIS 27 HD2 HIS 27 -12.096 3.969 7.496
182 HE1 HIS 27 HE1 HIS 27 -12.617 0.470 9.837
183 H LEU 28 H LEU 28 -10.265 2.274 3.011
184 HA LEU 28 HA LEU 28 -7.532 1.632 2.738
185 HB2 LEU 28 1HB LEU 28 -9.049 0.483 1.357
186 HB3 LEU 28 2HB LEU 28 -9.776 1.979 0.775
187 HG LEU 28 HG LEU 28 -7.441 2.399 -0.286
188 HD11 LEU 28 1HD1 LEU 28 -6.060 0.588 -0.679
189 HD12 LEU 28 2HD1 LEU 28 -7.322 -0.588 -0.314
190 HD13 LEU 28 3HD1 LEU 28 -6.564 0.324 0.991
191 HD21 LEU 28 3HD2 LEU 28 -8.133 1.179 -2.296
192 HD22 LEU 28 1HD2 LEU 28 -9.483 2.039 -1.555
193 HD23 LEU 28 2HD2 LEU 28 -9.326 0.295 -1.344
194 H ALA 29 H ALA 29 -9.398 4.215 1.127
195 HA ALA 29 HA ALA 29 -7.393 5.559 -0.137
196 HB1 ALA 29 3HB ALA 29 -8.987 7.597 0.914
197 HB2 ALA 29 1HB ALA 29 -9.176 6.784 -0.640
198 HB3 ALA 29 2HB ALA 29 -10.048 6.195 0.776
199 H GLN 30 H GLN 30 -8.434 6.112 3.226
200 HA GLN 30 HA GLN 30 -6.516 8.076 3.823
201 HB2 GLN 30 1HB GLN 30 -8.559 7.602 5.171
202 HB3 GLN 30 2HB GLN 30 -7.796 6.125 5.744
203 HG2 GLN 30 1HG GLN 30 -7.439 7.654 7.455
204 HG3 GLN 30 2HG GLN 30 -5.912 7.630 6.575
205 HE21 GLN 30 1HE2 GLN 30 -6.875 9.701 8.289
206 HE22 GLN 30 2HE2 GLN 30 -7.034 11.129 7.329
207 H HIS 31 H HIS 31 -6.396 4.576 3.897
208 HA HIS 31 HA HIS 31 -3.968 4.365 5.364
209 HB2 HIS 31 1HB HIS 31 -5.136 2.377 5.403
210 HB3 HIS 31 2HB HIS 31 -5.636 2.514 3.720
211 HD1 HIS 31 HD1 HIS 31 -2.440 1.854 5.676
212 HD2 HIS 31 HD2 HIS 31 -4.237 0.905 2.053
213 HE1 HIS 31 HE1 HIS 31 -0.892 0.211 4.568
214 H GLN 32 H GLN 32 -4.647 3.877 1.894
215 HA GLN 32 HA GLN 32 -2.242 3.435 0.830
216 HB2 GLN 32 1HB GLN 32 -4.400 5.299 -0.115
217 HB3 GLN 32 2HB GLN 32 -2.934 5.067 -1.058
218 HG2 GLN 32 1HG GLN 32 -4.565 2.725 -0.168
219 HG3 GLN 32 2HG GLN 32 -5.009 3.649 -1.602
220 HE21 GLN 32 1HE2 GLN 32 -4.596 1.295 -2.334
221 HE22 GLN 32 2HE2 GLN 32 -3.013 0.987 -2.954
222 H LYS 33 H LYS 33 -3.308 6.554 2.082
223 HA LYS 33 HA LYS 33 -1.384 8.275 1.241
224 HB2 LYS 33 1HB LYS 33 -2.736 7.996 3.908
225 HB3 LYS 33 2HB LYS 33 -1.548 9.263 3.638
226 HG2 LYS 33 1HG LYS 33 -2.889 10.401 2.167
227 HG3 LYS 33 2HG LYS 33 -3.793 8.956 1.706
228 HD2 LYS 33 1HD LYS 33 -5.361 9.991 3.007
229 HD3 LYS 33 2HD LYS 33 -4.530 9.045 4.245
230 HE2 LYS 33 1HE LYS 33 -3.721 11.860 3.576
231 HE3 LYS 33 2HE LYS 33 -4.990 11.508 4.748
232 HZ1 LYS 33 3HZ LYS 33 -3.397 10.207 6.021
233 HZ2 LYS 33 1HZ LYS 33 -2.853 11.797 5.827
234 HZ3 LYS 33 2HZ LYS 33 -2.181 10.553 4.898
235 H THR 34 H THR 34 -1.079 6.073 4.019
236 HA THR 34 HA THR 34 1.437 6.741 4.898
237 HB THR 34 HB THR 34 -0.076 5.048 5.957
238 HG1 THR 34 HG1 THR 34 2.522 3.981 5.530
239 HG21 THR 34 3HG2 THR 34 1.168 2.916 4.303
240 HG22 THR 34 1HG2 THR 34 -0.179 3.811 3.601
241 HG23 THR 34 2HG2 THR 34 -0.393 2.945 5.123
242 H HIS 35 H HIS 35 0.549 4.776 2.121
243 HA HIS 35 HA HIS 35 3.186 3.850 1.566
244 HB2 HIS 35 1HB HIS 35 0.681 3.990 -0.114
245 HB3 HIS 35 2HB HIS 35 2.190 3.293 -0.696
246 HD1 HIS 35 HD1 HIS 35 3.059 1.614 1.663
247 HD2 HIS 35 HD2 HIS 35 -0.881 1.831 0.364
248 HE1 HIS 35 HE1 HIS 35 1.959 -0.487 2.499
249 H THR 36 H THR 36 4.663 5.471 1.387
250 HA THR 36 HA THR 36 4.156 7.851 -0.136
251 HB THR 36 HB THR 36 6.761 6.799 0.984
252 HG1 THR 36 HG1 THR 36 5.336 8.960 2.076
253 HG21 THR 36 3HG2 THR 36 7.735 8.456 -0.143
254 HG22 THR 36 1HG2 THR 36 6.778 9.603 0.793
255 HG23 THR 36 2HG2 THR 36 6.178 9.010 -0.756
256 H GLY 37 H GLY 37 3.587 6.878 -2.182
257 HA2 GLY 37 1HA GLY 37 5.439 5.288 -3.650
258 HA3 GLY 37 2HA GLY 37 4.023 6.099 -4.303
259 H GLU 38 H GLU 38 6.129 6.033 -5.912
260 HA GLU 38 HA GLU 38 7.516 8.604 -5.598
261 HB2 GLU 38 1HB GLU 38 8.909 6.565 -5.913
262 HB3 GLU 38 2HB GLU 38 8.158 6.333 -7.486
263 HG2 GLU 38 1HG GLU 38 10.321 7.365 -7.737
264 HG3 GLU 38 2HG GLU 38 9.053 8.487 -8.226
265 H LYS 39 H LYS 39 7.585 10.098 -7.302
266 HA LYS 39 HA LYS 39 5.378 9.812 -9.227
267 HB2 LYS 39 1HB LYS 39 6.570 12.164 -7.813
268 HB3 LYS 39 2HB LYS 39 5.794 12.406 -9.372
269 HG2 LYS 39 1HG LYS 39 4.081 12.822 -7.889
270 HG3 LYS 39 2HG LYS 39 3.809 11.131 -8.314
271 HD2 LYS 39 1HD LYS 39 5.178 10.545 -6.258
272 HD3 LYS 39 2HD LYS 39 5.043 12.246 -5.806
273 HE2 LYS 39 1HE LYS 39 2.577 10.718 -6.505
274 HE3 LYS 39 2HE LYS 39 3.316 10.480 -4.922
275 HZ1 LYS 39 3HZ LYS 39 1.557 12.235 -5.036
276 HZ2 LYS 39 1HZ LYS 39 2.610 13.154 -5.988
277 HZ3 LYS 39 2HZ LYS 39 3.037 12.753 -4.402
278 HA PRO 40 HA PRO 40 9.209 9.551 -11.794
279 HB2 PRO 40 1HB PRO 40 8.202 7.691 -13.496
280 HB3 PRO 40 2HB PRO 40 8.979 7.271 -11.966
281 HG2 PRO 40 1HG PRO 40 6.064 7.482 -12.615
282 HG3 PRO 40 2HG PRO 40 6.913 6.248 -11.665
283 HD2 PRO 40 1HD PRO 40 5.529 8.273 -10.518
284 HD3 PRO 40 2HD PRO 40 6.980 7.567 -9.777
285 H SER 41 H SER 41 5.799 9.672 -12.759
286 HA SER 41 HA SER 41 6.126 11.984 -14.337
287 HB2 SER 41 1HB SER 41 5.918 11.126 -16.567
288 HB3 SER 41 2HB SER 41 7.269 10.281 -15.810
289 HG SER 41 HG SER 41 4.960 9.281 -16.801
290 H GLY 42 H GLY 42 4.242 12.923 -13.924
291 HA2 GLY 42 1HA GLY 42 1.862 11.333 -13.453
292 HA3 GLY 42 2HA GLY 42 2.009 13.075 -13.271
293 HA PRO 43 HA PRO 43 -0.048 13.748 -17.076
294 HB2 PRO 43 1HB PRO 43 1.313 15.842 -18.142
295 HB3 PRO 43 2HB PRO 43 0.246 16.002 -16.742
296 HG2 PRO 43 1HG PRO 43 3.228 15.760 -16.834
297 HG3 PRO 43 2HG PRO 43 2.223 16.834 -15.843
298 HD2 PRO 43 1HD PRO 43 3.313 14.553 -14.873
299 HD3 PRO 43 2HD PRO 43 1.753 15.182 -14.306
300 H SER 44 H SER 44 0.213 13.875 -19.460
301 HA SER 44 HA SER 44 2.054 11.869 -20.353
302 HB2 SER 44 1HB SER 44 1.028 12.327 -22.601
303 HB3 SER 44 2HB SER 44 -0.140 11.915 -21.345
304 HG SER 44 HG SER 44 -1.037 13.775 -21.666
305 H SER 45 H SER 45 3.417 12.204 -22.315
306 HA SER 45 HA SER 45 5.130 14.488 -21.889
307 HB2 SER 45 1HB SER 45 5.763 11.998 -22.506
308 HB3 SER 45 2HB SER 45 5.540 12.579 -24.156
309 HG SER 45 HG SER 45 7.560 13.161 -23.867
310 H GLY 46 H GLY 46 3.677 16.172 -22.535
311 HA2 GLY 46 1HA GLY 46 3.085 17.797 -24.057
312 HA3 GLY 46 2HA GLY 46 3.996 16.912 -25.272
Start of MODEL 4
1 H1 GLY 1 H GLY 1 -2.304 -22.500 -21.805
2 HA2 GLY 1 1HA GLY 1 -3.969 -23.122 -20.353
3 HA3 GLY 1 2HA GLY 1 -2.677 -23.485 -19.219
4 H SER 2 H SER 2 -5.396 -21.670 -19.689
5 HA SER 2 HA SER 2 -4.944 -19.150 -18.742
6 HB2 SER 2 1HB SER 2 -7.247 -20.957 -17.967
7 HB3 SER 2 2HB SER 2 -7.231 -19.200 -17.825
8 HG SER 2 HG SER 2 -7.893 -19.180 -19.809
9 H SER 3 H SER 3 -3.685 -18.565 -17.103
10 HA SER 3 HA SER 3 -2.924 -20.115 -14.935
11 HB2 SER 3 1HB SER 3 -2.231 -17.975 -13.872
12 HB3 SER 3 2HB SER 3 -1.710 -18.101 -15.551
13 HG SER 3 HG SER 3 -3.376 -16.297 -14.386
14 H GLY 4 H GLY 4 -4.124 -20.956 -13.370
15 HA2 GLY 4 1HA GLY 4 -6.763 -20.176 -12.785
16 HA3 GLY 4 2HA GLY 4 -5.764 -21.222 -11.787
17 H SER 5 H SER 5 -7.132 -19.994 -10.150
18 HA SER 5 HA SER 5 -6.150 -17.313 -9.576
19 HB2 SER 5 1HB SER 5 -7.943 -17.105 -8.061
20 HB3 SER 5 2HB SER 5 -8.610 -18.057 -9.387
21 HG SER 5 HG SER 5 -8.663 -19.798 -8.139
22 H SER 6 H SER 6 -5.134 -16.730 -7.636
23 HA SER 6 HA SER 6 -3.767 -18.962 -6.290
24 HB2 SER 6 1HB SER 6 -2.907 -16.065 -6.481
25 HB3 SER 6 2HB SER 6 -1.983 -17.381 -5.757
26 HG SER 6 HG SER 6 -1.268 -17.816 -7.671
27 H GLY 7 H GLY 7 -4.763 -15.615 -5.529
28 HA2 GLY 7 1HA GLY 7 -5.158 -16.395 -2.743
29 HA3 GLY 7 2HA GLY 7 -5.180 -14.756 -3.378
30 H THR 8 H THR 8 -7.102 -14.944 -1.772
31 HA THR 8 HA THR 8 -9.497 -15.382 -3.407
32 HB THR 8 HB THR 8 -9.300 -17.367 -1.991
33 HG1 THR 8 HG1 THR 8 -11.402 -16.629 -2.368
34 HG21 THR 8 3HG2 THR 8 -8.066 -15.935 -0.164
35 HG22 THR 8 1HG2 THR 8 -9.021 -17.345 0.295
36 HG23 THR 8 2HG2 THR 8 -9.699 -15.726 0.469
37 H GLY 9 H GLY 9 -11.379 -14.204 -2.659
38 HA2 GLY 9 1HA GLY 9 -12.051 -12.610 -0.761
39 HA3 GLY 9 2HA GLY 9 -10.593 -11.749 -1.234
40 H GLU 10 H GLU 10 -13.718 -11.391 -1.377
41 HA GLU 10 HA GLU 10 -13.729 -10.384 -4.147
42 HB2 GLU 10 1HB GLU 10 -16.150 -10.678 -4.158
43 HB3 GLU 10 2HB GLU 10 -15.344 -12.199 -3.801
44 HG2 GLU 10 1HG GLU 10 -15.776 -11.767 -1.380
45 HG3 GLU 10 2HG GLU 10 -16.754 -10.383 -1.865
46 H LYS 11 H LYS 11 -12.626 -8.859 -2.106
47 HA LYS 11 HA LYS 11 -14.620 -6.979 -1.171
48 HB2 LYS 11 1HB LYS 11 -12.506 -7.714 0.094
49 HB3 LYS 11 2HB LYS 11 -11.635 -6.629 -0.982
50 HG2 LYS 11 1HG LYS 11 -12.055 -5.425 1.003
51 HG3 LYS 11 2HG LYS 11 -13.175 -4.798 -0.209
52 HD2 LYS 11 1HD LYS 11 -14.466 -5.056 1.738
53 HD3 LYS 11 2HD LYS 11 -14.868 -6.453 0.736
54 HE2 LYS 11 1HE LYS 11 -13.056 -7.690 2.040
55 HE3 LYS 11 2HE LYS 11 -13.105 -6.336 3.168
56 HZ1 LYS 11 3HZ LYS 11 -14.776 -8.548 3.108
57 HZ2 LYS 11 1HZ LYS 11 -15.727 -7.229 2.642
58 HZ3 LYS 11 2HZ LYS 11 -14.896 -7.194 4.114
59 HA PRO 12 HA PRO 12 -14.374 -4.332 -4.699
60 HB2 PRO 12 1HB PRO 12 -15.529 -2.139 -3.591
61 HB3 PRO 12 2HB PRO 12 -16.449 -3.570 -4.071
62 HG2 PRO 12 1HG PRO 12 -15.475 -2.765 -1.357
63 HG3 PRO 12 2HG PRO 12 -17.047 -3.435 -1.828
64 HD2 PRO 12 1HD PRO 12 -15.096 -4.944 -0.712
65 HD3 PRO 12 2HD PRO 12 -16.248 -5.596 -1.895
66 H TYR 13 H TYR 13 -12.666 -3.925 -1.813
67 HA TYR 13 HA TYR 13 -10.979 -1.877 -3.067
68 HB2 TYR 13 1HB TYR 13 -11.721 -1.828 -0.138
69 HB3 TYR 13 2HB TYR 13 -10.776 -0.632 -1.018
70 HD1 TYR 13 HD1 TYR 13 -11.962 0.655 -2.897
71 HD2 TYR 13 HD2 TYR 13 -14.036 -1.588 0.064
72 HE1 TYR 13 HE1 TYR 13 -14.012 1.927 -3.378
73 HE2 TYR 13 HE2 TYR 13 -16.092 -0.324 -0.410
74 HH TYR 13 HH TYR 13 -16.481 1.599 -3.136
75 H GLU 14 H GLU 14 -9.129 -2.920 -3.416
76 HA GLU 14 HA GLU 14 -7.880 -4.312 -1.155
77 HB2 GLU 14 1HB GLU 14 -8.906 -5.992 -2.672
78 HB3 GLU 14 2HB GLU 14 -7.914 -5.372 -3.985
79 HG2 GLU 14 1HG GLU 14 -5.903 -5.939 -2.588
80 HG3 GLU 14 2HG GLU 14 -7.000 -6.781 -1.495
81 H CYS 15 H CYS 15 -5.862 -3.662 -0.800
82 HA CYS 15 HA CYS 15 -4.642 -1.734 -2.539
83 HB2 CYS 15 1HB CYS 15 -4.481 -1.651 -0.047
84 HB3 CYS 15 2HB CYS 15 -3.464 -3.087 -0.104
85 H LYS 16 H LYS 16 -2.387 -1.933 -3.287
86 HA LYS 16 HA LYS 16 -1.848 -4.667 -4.240
87 HB2 LYS 16 1HB LYS 16 -2.344 -2.607 -5.829
88 HB3 LYS 16 2HB LYS 16 -0.639 -2.274 -5.554
89 HG2 LYS 16 1HG LYS 16 -0.664 -3.537 -7.505
90 HG3 LYS 16 2HG LYS 16 -0.243 -4.704 -6.249
91 HD2 LYS 16 1HD LYS 16 -1.864 -5.781 -7.570
92 HD3 LYS 16 2HD LYS 16 -2.732 -5.235 -6.133
93 HE2 LYS 16 1HE LYS 16 -4.115 -4.690 -7.963
94 HE3 LYS 16 2HE LYS 16 -3.361 -3.175 -7.467
95 HZ1 LYS 16 3HZ LYS 16 -2.657 -2.949 -9.540
96 HZ2 LYS 16 1HZ LYS 16 -3.241 -4.477 -9.971
97 HZ3 LYS 16 2HZ LYS 16 -1.678 -4.315 -9.346
98 H VAL 17 H VAL 17 -0.520 -1.864 -2.653
99 HA VAL 17 HA VAL 17 2.210 -2.607 -2.753
100 HB VAL 17 HB VAL 17 0.773 -0.883 -0.730
101 HG11 VAL 17 1HG1 VAL 17 3.643 -1.556 -1.148
102 HG12 VAL 17 2HG1 VAL 17 3.219 0.076 -0.627
103 HG13 VAL 17 3HG1 VAL 17 2.747 -1.314 0.352
104 HG21 VAL 17 3HG2 VAL 17 2.494 0.165 -2.931
105 HG22 VAL 17 1HG2 VAL 17 0.831 -0.305 -3.282
106 HG23 VAL 17 2HG2 VAL 17 1.160 0.943 -2.079
107 H CYS 18 H CYS 18 -0.142 -2.833 -0.077
108 HA CYS 18 HA CYS 18 1.513 -4.983 1.070
109 HB2 CYS 18 1HB CYS 18 0.437 -4.407 3.238
110 HB3 CYS 18 2HB CYS 18 1.376 -3.082 2.560
111 H SER 19 H SER 19 -0.762 -5.000 -0.968
112 HA SER 19 HA SER 19 -2.720 -6.123 -1.391
113 HB2 SER 19 1HB SER 19 -0.876 -7.868 -1.332
114 HB3 SER 19 2HB SER 19 -1.426 -8.273 0.293
115 HG SER 19 HG SER 19 -2.640 -8.733 -2.169
116 H LYS 20 H LYS 20 -2.793 -4.476 1.010
117 HA LYS 20 HA LYS 20 -4.416 -6.004 2.884
118 HB2 LYS 20 1HB LYS 20 -2.660 -4.296 3.584
119 HB3 LYS 20 2HB LYS 20 -3.777 -3.060 3.018
120 HG2 LYS 20 1HG LYS 20 -5.468 -3.935 4.607
121 HG3 LYS 20 2HG LYS 20 -4.248 -5.048 5.230
122 HD2 LYS 20 1HD LYS 20 -2.815 -3.047 5.723
123 HD3 LYS 20 2HD LYS 20 -4.200 -2.034 5.306
124 HE2 LYS 20 1HE LYS 20 -5.477 -2.885 7.109
125 HE3 LYS 20 2HE LYS 20 -4.335 -4.197 7.393
126 HZ1 LYS 20 3HZ LYS 20 -4.329 -2.044 8.864
127 HZ2 LYS 20 1HZ LYS 20 -3.357 -1.447 7.615
128 HZ3 LYS 20 2HZ LYS 20 -2.886 -2.831 8.465
129 H ALA 21 H ALA 21 -6.522 -6.214 2.557
130 HA ALA 21 HA ALA 21 -7.927 -4.316 0.845
131 HB1 ALA 21 3HB ALA 21 -9.811 -5.980 1.079
132 HB2 ALA 21 1HB ALA 21 -8.353 -6.573 0.284
133 HB3 ALA 21 2HB ALA 21 -8.680 -7.006 1.962
134 H PHE 22 H PHE 22 -10.031 -3.475 1.484
135 HA PHE 22 HA PHE 22 -10.439 -3.266 4.380
136 HB2 PHE 22 1HB PHE 22 -10.511 -0.872 2.536
137 HB3 PHE 22 2HB PHE 22 -10.703 -0.871 4.286
138 HD1 PHE 22 HD1 PHE 22 -8.289 -1.487 1.554
139 HD2 PHE 22 HD2 PHE 22 -8.841 -0.754 5.711
140 HE1 PHE 22 HE1 PHE 22 -5.866 -1.148 1.813
141 HE2 PHE 22 HE2 PHE 22 -6.419 -0.413 5.976
142 HZ PHE 22 HZ PHE 22 -4.928 -0.610 4.025
143 H THR 23 H THR 23 -12.580 -2.672 5.002
144 HA THR 23 HA THR 23 -14.580 -3.714 3.218
145 HB THR 23 HB THR 23 -14.718 -4.211 5.605
146 HG1 THR 23 HG1 THR 23 -16.786 -4.274 5.202
147 HG21 THR 23 3HG2 THR 23 -14.933 -2.631 7.284
148 HG22 THR 23 1HG2 THR 23 -15.515 -1.385 6.181
149 HG23 THR 23 2HG2 THR 23 -13.809 -1.833 6.185
150 H GLN 24 H GLN 24 -13.742 -0.552 4.552
151 HA GLN 24 HA GLN 24 -15.752 0.664 2.776
152 HB2 GLN 24 1HB GLN 24 -14.589 1.598 5.395
153 HB3 GLN 24 2HB GLN 24 -15.460 2.680 4.316
154 HG2 GLN 24 1HG GLN 24 -16.595 0.148 5.479
155 HG3 GLN 24 2HG GLN 24 -16.848 1.763 6.140
156 HE21 GLN 24 1HE2 GLN 24 -18.813 -0.113 5.153
157 HE22 GLN 24 2HE2 GLN 24 -19.642 0.676 3.859
158 H LYS 25 H LYS 25 -15.170 2.334 1.423
159 HA LYS 25 HA LYS 25 -12.616 2.332 0.330
160 HB2 LYS 25 1HB LYS 25 -14.715 3.198 -0.749
161 HB3 LYS 25 2HB LYS 25 -14.557 4.645 0.237
162 HG2 LYS 25 1HG LYS 25 -12.188 4.788 -0.817
163 HG3 LYS 25 2HG LYS 25 -12.869 3.714 -2.040
164 HD2 LYS 25 1HD LYS 25 -13.204 5.887 -2.875
165 HD3 LYS 25 2HD LYS 25 -14.772 5.397 -2.229
166 HE2 LYS 25 1HE LYS 25 -14.421 6.688 -0.240
167 HE3 LYS 25 2HE LYS 25 -12.758 7.042 -0.705
168 HZ1 LYS 25 3HZ LYS 25 -13.404 8.617 -2.169
169 HZ2 LYS 25 1HZ LYS 25 -14.746 8.715 -1.144
170 HZ3 LYS 25 2HZ LYS 25 -14.843 7.829 -2.581
171 H ALA 26 H ALA 26 -14.068 4.703 2.553
172 HA ALA 26 HA ALA 26 -12.129 6.559 2.823
173 HB1 ALA 26 3HB ALA 26 -13.526 5.310 5.184
174 HB2 ALA 26 1HB ALA 26 -12.857 6.939 5.080
175 HB3 ALA 26 2HB ALA 26 -14.256 6.496 4.101
176 H HIS 27 H HIS 27 -12.138 3.407 4.471
177 HA HIS 27 HA HIS 27 -9.811 3.683 5.950
178 HB2 HIS 27 1HB HIS 27 -11.261 1.345 4.782
179 HB3 HIS 27 2HB HIS 27 -9.666 1.086 5.481
180 HD1 HIS 27 HD1 HIS 27 -12.564 0.118 6.581
181 HD2 HIS 27 HD2 HIS 27 -10.152 3.148 8.085
182 HE1 HIS 27 HE1 HIS 27 -13.247 0.390 8.986
183 H LEU 28 H LEU 28 -10.142 2.255 2.699
184 HA LEU 28 HA LEU 28 -7.414 1.823 2.254
185 HB2 LEU 28 1HB LEU 28 -9.013 0.753 0.857
186 HB3 LEU 28 2HB LEU 28 -9.702 2.297 0.359
187 HG LEU 28 HG LEU 28 -7.274 2.668 -0.616
188 HD11 LEU 28 1HD1 LEU 28 -6.284 0.630 -1.448
189 HD12 LEU 28 2HD1 LEU 28 -7.553 -0.332 -0.692
190 HD13 LEU 28 3HD1 LEU 28 -6.405 0.555 0.310
191 HD21 LEU 28 3HD2 LEU 28 -9.425 0.973 -1.877
192 HD22 LEU 28 1HD2 LEU 28 -8.083 1.707 -2.754
193 HD23 LEU 28 2HD2 LEU 28 -9.274 2.729 -1.950
194 H ALA 29 H ALA 29 -9.463 4.509 1.108
195 HA ALA 29 HA ALA 29 -7.576 6.032 -0.172
196 HB1 ALA 29 3HB ALA 29 -9.043 7.999 0.875
197 HB2 ALA 29 1HB ALA 29 -9.627 6.963 -0.427
198 HB3 ALA 29 2HB ALA 29 -10.105 6.639 1.240
199 H GLN 30 H GLN 30 -8.334 6.030 3.297
200 HA GLN 30 HA GLN 30 -6.408 8.028 3.949
201 HB2 GLN 30 1HB GLN 30 -8.312 7.677 5.398
202 HB3 GLN 30 2HB GLN 30 -7.850 6.001 5.665
203 HG2 GLN 30 1HG GLN 30 -6.035 6.589 7.005
204 HG3 GLN 30 2HG GLN 30 -6.035 8.255 6.430
205 HE21 GLN 30 1HE2 GLN 30 -6.126 9.090 8.506
206 HE22 GLN 30 2HE2 GLN 30 -7.557 9.014 9.471
207 H HIS 31 H HIS 31 -6.410 4.507 3.914
208 HA HIS 31 HA HIS 31 -4.006 4.059 5.270
209 HB2 HIS 31 1HB HIS 31 -5.179 2.104 4.950
210 HB3 HIS 31 2HB HIS 31 -5.632 2.520 3.300
211 HD1 HIS 31 HD1 HIS 31 -2.587 1.364 5.245
212 HD2 HIS 31 HD2 HIS 31 -4.114 1.327 1.381
213 HE1 HIS 31 HE1 HIS 31 -1.004 -0.062 3.910
214 H GLN 32 H GLN 32 -4.602 4.391 1.775
215 HA GLN 32 HA GLN 32 -2.207 3.985 0.656
216 HB2 GLN 32 1HB GLN 32 -4.029 6.337 0.137
217 HB3 GLN 32 2HB GLN 32 -2.692 5.884 -0.911
218 HG2 GLN 32 1HG GLN 32 -3.726 3.770 -1.402
219 HG3 GLN 32 2HG GLN 32 -5.014 4.092 -0.242
220 HE21 GLN 32 1HE2 GLN 32 -6.812 4.372 -1.355
221 HE22 GLN 32 2HE2 GLN 32 -7.000 5.388 -2.739
222 H LYS 33 H LYS 33 -3.083 6.931 2.425
223 HA LYS 33 HA LYS 33 -0.995 8.580 2.074
224 HB2 LYS 33 1HB LYS 33 -2.430 7.834 4.608
225 HB3 LYS 33 2HB LYS 33 -1.154 9.045 4.618
226 HG2 LYS 33 1HG LYS 33 -2.468 10.227 2.796
227 HG3 LYS 33 2HG LYS 33 -3.796 9.136 3.198
228 HD2 LYS 33 1HD LYS 33 -2.468 10.609 5.415
229 HD3 LYS 33 2HD LYS 33 -3.544 11.510 4.345
230 HE2 LYS 33 1HE LYS 33 -5.205 9.580 4.773
231 HE3 LYS 33 2HE LYS 33 -4.170 9.198 6.148
232 HZ1 LYS 33 3HZ LYS 33 -6.104 10.697 6.623
233 HZ2 LYS 33 1HZ LYS 33 -5.327 11.890 5.710
234 HZ3 LYS 33 2HZ LYS 33 -4.598 11.291 7.113
235 H THR 34 H THR 34 -0.948 5.827 4.331
236 HA THR 34 HA THR 34 1.556 6.047 5.391
237 HB THR 34 HB THR 34 1.603 3.616 5.640
238 HG1 THR 34 HG1 THR 34 0.109 2.331 4.566
239 HG21 THR 34 3HG2 THR 34 -1.267 3.977 6.029
240 HG22 THR 34 1HG2 THR 34 -0.307 5.318 6.653
241 HG23 THR 34 2HG2 THR 34 0.005 3.674 7.212
242 H HIS 35 H HIS 35 0.726 4.521 2.288
243 HA HIS 35 HA HIS 35 3.418 3.880 1.621
244 HB2 HIS 35 1HB HIS 35 0.958 4.114 -0.123
245 HB3 HIS 35 2HB HIS 35 2.501 3.447 -0.649
246 HD1 HIS 35 HD1 HIS 35 3.128 1.689 1.817
247 HD2 HIS 35 HD2 HIS 35 -0.564 1.851 -0.082
248 HE1 HIS 35 HE1 HIS 35 1.986 -0.479 2.382
249 H THR 36 H THR 36 4.557 4.760 -0.285
250 HA THR 36 HA THR 36 3.994 7.606 -0.758
251 HB THR 36 HB THR 36 5.762 7.519 0.925
252 HG1 THR 36 HG1 THR 36 7.164 8.863 -0.173
253 HG21 THR 36 3HG2 THR 36 7.735 6.319 -0.917
254 HG22 THR 36 1HG2 THR 36 6.563 5.209 -0.208
255 HG23 THR 36 2HG2 THR 36 7.594 6.187 0.836
256 H GLY 37 H GLY 37 4.636 8.412 -2.769
257 HA2 GLY 37 1HA GLY 37 4.297 7.020 -5.019
258 HA3 GLY 37 2HA GLY 37 5.469 8.327 -4.942
259 H GLU 38 H GLU 38 5.089 5.219 -5.857
260 HA GLU 38 HA GLU 38 7.570 4.105 -4.942
261 HB2 GLU 38 1HB GLU 38 5.342 2.938 -5.775
262 HB3 GLU 38 2HB GLU 38 6.148 3.027 -7.335
263 HG2 GLU 38 1HG GLU 38 8.142 1.947 -6.083
264 HG3 GLU 38 2HG GLU 38 6.922 1.496 -4.893
265 H LYS 39 H LYS 39 9.445 3.737 -6.131
266 HA LYS 39 HA LYS 39 9.685 5.237 -8.653
267 HB2 LYS 39 1HB LYS 39 11.642 5.160 -6.352
268 HB3 LYS 39 2HB LYS 39 12.025 5.807 -7.942
269 HG2 LYS 39 1HG LYS 39 9.864 6.835 -6.113
270 HG3 LYS 39 2HG LYS 39 11.456 7.564 -6.340
271 HD2 LYS 39 1HD LYS 39 10.913 7.811 -8.765
272 HD3 LYS 39 2HD LYS 39 9.277 7.256 -8.404
273 HE2 LYS 39 1HE LYS 39 8.983 9.527 -8.299
274 HE3 LYS 39 2HE LYS 39 9.364 9.174 -6.615
275 HZ1 LYS 39 3HZ LYS 39 11.275 10.303 -6.734
276 HZ2 LYS 39 1HZ LYS 39 10.616 11.020 -8.118
277 HZ3 LYS 39 2HZ LYS 39 11.669 9.705 -8.266
278 HA PRO 40 HA PRO 40 11.418 1.583 -10.369
279 HB2 PRO 40 1HB PRO 40 13.032 2.651 -12.273
280 HB3 PRO 40 2HB PRO 40 11.270 2.629 -12.409
281 HG2 PRO 40 1HG PRO 40 13.075 4.856 -11.545
282 HG3 PRO 40 2HG PRO 40 11.664 4.911 -12.618
283 HD2 PRO 40 1HD PRO 40 11.548 5.664 -10.020
284 HD3 PRO 40 2HD PRO 40 10.171 4.925 -10.862
285 H SER 41 H SER 41 13.145 3.654 -8.454
286 HA SER 41 HA SER 41 15.682 2.217 -8.817
287 HB2 SER 41 1HB SER 41 15.149 4.749 -7.244
288 HB3 SER 41 2HB SER 41 16.727 4.033 -7.572
289 HG SER 41 HG SER 41 16.302 4.390 -9.814
290 H GLY 42 H GLY 42 16.913 1.802 -6.748
291 HA2 GLY 42 1HA GLY 42 16.202 1.666 -4.215
292 HA3 GLY 42 2HA GLY 42 15.094 0.475 -4.880
293 HA PRO 43 HA PRO 43 19.549 -1.173 -4.097
294 HB2 PRO 43 1HB PRO 43 19.340 -2.029 -1.529
295 HB3 PRO 43 2HB PRO 43 19.930 -0.419 -1.960
296 HG2 PRO 43 1HG PRO 43 17.207 -1.255 -1.040
297 HG3 PRO 43 2HG PRO 43 18.165 0.157 -0.559
298 HD2 PRO 43 1HD PRO 43 16.147 0.309 -2.358
299 HD3 PRO 43 2HD PRO 43 17.582 1.350 -2.443
300 H SER 44 H SER 44 18.977 -2.839 -5.480
301 HA SER 44 HA SER 44 17.666 -5.142 -4.196
302 HB2 SER 44 1HB SER 44 17.328 -4.261 -7.074
303 HB3 SER 44 2HB SER 44 16.631 -5.714 -6.357
304 HG SER 44 HG SER 44 15.793 -3.118 -6.209
305 H SER 45 H SER 45 19.229 -6.585 -3.881
306 HA SER 45 HA SER 45 20.806 -7.464 -6.164
307 HB2 SER 45 1HB SER 45 22.050 -6.481 -3.587
308 HB3 SER 45 2HB SER 45 22.916 -7.411 -4.810
309 HG SER 45 HG SER 45 22.915 -5.723 -6.124
310 H GLY 46 H GLY 46 22.062 -9.475 -5.626
311 HA2 GLY 46 1HA GLY 46 22.030 -11.105 -3.536
312 HA3 GLY 46 2HA GLY 46 20.346 -11.212 -4.026
Start of MODEL 5
1 H1 GLY 1 H GLY 1 3.984 -19.287 -10.860
2 HA2 GLY 1 1HA GLY 1 3.620 -20.838 -13.344
3 HA3 GLY 1 2HA GLY 1 2.917 -21.261 -11.790
4 H SER 2 H SER 2 2.259 -19.978 -14.754
5 HA SER 2 HA SER 2 0.462 -17.885 -14.129
6 HB2 SER 2 1HB SER 2 -0.390 -18.239 -16.445
7 HB3 SER 2 2HB SER 2 1.366 -18.101 -16.372
8 HG SER 2 HG SER 2 0.011 -20.033 -17.458
9 H SER 3 H SER 3 -0.847 -18.624 -12.430
10 HA SER 3 HA SER 3 -2.911 -20.561 -13.250
11 HB2 SER 3 1HB SER 3 -1.416 -20.295 -10.672
12 HB3 SER 3 2HB SER 3 -3.084 -20.867 -10.632
13 HG SER 3 HG SER 3 -1.801 -22.652 -10.858
14 H GLY 4 H GLY 4 -2.352 -18.069 -10.750
15 HA2 GLY 4 1HA GLY 4 -3.695 -16.003 -10.910
16 HA3 GLY 4 2HA GLY 4 -5.048 -17.026 -11.368
17 H SER 5 H SER 5 -5.384 -15.271 -9.331
18 HA SER 5 HA SER 5 -5.625 -17.073 -7.027
19 HB2 SER 5 1HB SER 5 -4.904 -15.366 -5.481
20 HB3 SER 5 2HB SER 5 -3.655 -15.553 -6.712
21 HG SER 5 HG SER 5 -3.913 -13.426 -6.703
22 H SER 6 H SER 6 -7.688 -17.230 -6.489
23 HA SER 6 HA SER 6 -9.384 -14.839 -6.604
24 HB2 SER 6 1HB SER 6 -9.866 -16.068 -8.652
25 HB3 SER 6 2HB SER 6 -10.118 -17.552 -7.732
26 HG SER 6 HG SER 6 -11.945 -16.664 -6.828
27 H GLY 7 H GLY 7 -10.909 -14.686 -5.004
28 HA2 GLY 7 1HA GLY 7 -12.349 -15.853 -3.382
29 HA3 GLY 7 2HA GLY 7 -10.985 -16.915 -3.064
30 H THR 8 H THR 8 -10.609 -16.528 -0.950
31 HA THR 8 HA THR 8 -10.311 -15.331 1.005
32 HB THR 8 HB THR 8 -8.275 -13.865 0.859
33 HG1 THR 8 HG1 THR 8 -7.998 -13.072 -1.095
34 HG21 THR 8 3HG2 THR 8 -7.436 -15.893 1.332
35 HG22 THR 8 1HG2 THR 8 -6.973 -15.947 -0.368
36 HG23 THR 8 2HG2 THR 8 -8.479 -16.698 0.161
37 H GLY 9 H GLY 9 -12.498 -14.251 -0.389
38 HA2 GLY 9 1HA GLY 9 -13.841 -12.398 0.100
39 HA3 GLY 9 2HA GLY 9 -12.411 -11.532 0.642
40 H GLU 10 H GLU 10 -14.574 -10.673 -1.153
41 HA GLU 10 HA GLU 10 -12.902 -9.983 -3.474
42 HB2 GLU 10 1HB GLU 10 -15.857 -10.620 -3.496
43 HB3 GLU 10 2HB GLU 10 -14.954 -9.995 -4.869
44 HG2 GLU 10 1HG GLU 10 -13.513 -12.021 -4.757
45 HG3 GLU 10 2HG GLU 10 -14.589 -12.654 -3.513
46 H LYS 11 H LYS 11 -13.010 -8.421 -1.205
47 HA LYS 11 HA LYS 11 -14.993 -6.432 -1.198
48 HB2 LYS 11 1HB LYS 11 -12.113 -6.165 -0.316
49 HB3 LYS 11 2HB LYS 11 -13.453 -5.138 0.176
50 HG2 LYS 11 1HG LYS 11 -13.674 -8.052 0.691
51 HG3 LYS 11 2HG LYS 11 -12.570 -7.107 1.693
52 HD2 LYS 11 1HD LYS 11 -14.472 -6.862 2.925
53 HD3 LYS 11 2HD LYS 11 -14.679 -5.497 1.825
54 HE2 LYS 11 1HE LYS 11 -16.729 -6.462 1.599
55 HE3 LYS 11 2HE LYS 11 -15.863 -7.349 0.347
56 HZ1 LYS 11 3HZ LYS 11 -16.262 -9.232 1.412
57 HZ2 LYS 11 1HZ LYS 11 -17.189 -8.391 2.550
58 HZ3 LYS 11 2HZ LYS 11 -15.541 -8.650 2.828
59 HA PRO 12 HA PRO 12 -14.008 -3.982 -4.719
60 HB2 PRO 12 1HB PRO 12 -15.087 -1.622 -3.922
61 HB3 PRO 12 2HB PRO 12 -16.067 -3.004 -4.428
62 HG2 PRO 12 1HG PRO 12 -15.381 -2.077 -1.665
63 HG3 PRO 12 2HG PRO 12 -16.935 -2.647 -2.300
64 HD2 PRO 12 1HD PRO 12 -15.293 -4.225 -0.835
65 HD3 PRO 12 2HD PRO 12 -16.338 -4.866 -2.119
66 H TYR 13 H TYR 13 -12.510 -3.680 -1.777
67 HA TYR 13 HA TYR 13 -10.694 -1.611 -2.820
68 HB2 TYR 13 1HB TYR 13 -11.344 -1.951 0.108
69 HB3 TYR 13 2HB TYR 13 -10.439 -0.645 -0.650
70 HD1 TYR 13 HD1 TYR 13 -11.758 0.783 -2.396
71 HD2 TYR 13 HD2 TYR 13 -13.598 -1.654 0.567
72 HE1 TYR 13 HE1 TYR 13 -13.825 2.100 -2.605
73 HE2 TYR 13 HE2 TYR 13 -15.670 -0.345 0.365
74 HH TYR 13 HH TYR 13 -16.119 2.011 -2.147
75 H GLU 14 H GLU 14 -8.778 -2.481 -3.208
76 HA GLU 14 HA GLU 14 -7.602 -4.292 -1.239
77 HB2 GLU 14 1HB GLU 14 -8.710 -5.662 -3.033
78 HB3 GLU 14 2HB GLU 14 -7.601 -4.937 -4.189
79 HG2 GLU 14 1HG GLU 14 -5.798 -5.815 -2.476
80 HG3 GLU 14 2HG GLU 14 -7.089 -6.943 -2.065
81 H CYS 15 H CYS 15 -5.730 -3.418 -0.687
82 HA CYS 15 HA CYS 15 -4.423 -1.414 -2.198
83 HB2 CYS 15 1HB CYS 15 -4.336 -1.939 0.361
84 HB3 CYS 15 2HB CYS 15 -3.014 -3.013 -0.086
85 H LYS 16 H LYS 16 -2.104 -1.555 -2.863
86 HA LYS 16 HA LYS 16 -1.641 -4.096 -4.274
87 HB2 LYS 16 1HB LYS 16 -1.941 -1.843 -5.527
88 HB3 LYS 16 2HB LYS 16 -0.307 -1.498 -4.978
89 HG2 LYS 16 1HG LYS 16 -0.100 -2.377 -7.150
90 HG3 LYS 16 2HG LYS 16 0.387 -3.671 -6.052
91 HD2 LYS 16 1HD LYS 16 -1.000 -4.836 -7.452
92 HD3 LYS 16 2HD LYS 16 -2.165 -4.316 -6.232
93 HE2 LYS 16 1HE LYS 16 -3.124 -3.893 -8.374
94 HE3 LYS 16 2HE LYS 16 -2.668 -2.338 -7.679
95 HZ1 LYS 16 3HZ LYS 16 -1.771 -3.565 -10.086
96 HZ2 LYS 16 1HZ LYS 16 -0.465 -3.162 -9.089
97 HZ3 LYS 16 2HZ LYS 16 -1.571 -1.971 -9.556
98 H VAL 17 H VAL 17 0.067 -1.468 -2.591
99 HA VAL 17 HA VAL 17 2.613 -2.550 -2.537
100 HB VAL 17 HB VAL 17 1.255 -0.903 -0.400
101 HG11 VAL 17 1HG1 VAL 17 3.314 -2.174 0.323
102 HG12 VAL 17 2HG1 VAL 17 4.215 -1.206 -0.845
103 HG13 VAL 17 3HG1 VAL 17 3.389 -0.422 0.502
104 HG21 VAL 17 3HG2 VAL 17 3.175 0.036 -2.515
105 HG22 VAL 17 1HG2 VAL 17 1.428 0.026 -2.756
106 HG23 VAL 17 2HG2 VAL 17 2.135 1.005 -1.471
107 H CYS 18 H CYS 18 0.356 -2.667 0.225
108 HA CYS 18 HA CYS 18 1.787 -4.918 1.342
109 HB2 CYS 18 1HB CYS 18 0.213 -4.709 3.217
110 HB3 CYS 18 2HB CYS 18 0.948 -3.158 2.823
111 H SER 19 H SER 19 -1.101 -4.346 -0.493
112 HA SER 19 HA SER 19 -2.493 -5.797 -1.576
113 HB2 SER 19 1HB SER 19 -0.368 -7.207 -1.762
114 HB3 SER 19 2HB SER 19 -0.963 -8.096 -0.360
115 HG SER 19 HG SER 19 -1.813 -8.150 -2.976
116 H LYS 20 H LYS 20 -3.393 -4.706 0.697
117 HA LYS 20 HA LYS 20 -4.613 -6.895 2.234
118 HB2 LYS 20 1HB LYS 20 -3.300 -4.987 3.366
119 HB3 LYS 20 2HB LYS 20 -4.696 -3.985 2.992
120 HG2 LYS 20 1HG LYS 20 -6.053 -5.074 4.484
121 HG3 LYS 20 2HG LYS 20 -5.114 -6.567 4.415
122 HD2 LYS 20 1HD LYS 20 -4.697 -5.613 6.543
123 HD3 LYS 20 2HD LYS 20 -3.255 -5.306 5.572
124 HE2 LYS 20 1HE LYS 20 -3.781 -3.044 5.300
125 HE3 LYS 20 2HE LYS 20 -5.465 -3.287 5.759
126 HZ1 LYS 20 3HZ LYS 20 -4.382 -4.008 8.005
127 HZ2 LYS 20 1HZ LYS 20 -4.622 -2.370 7.656
128 HZ3 LYS 20 2HZ LYS 20 -3.090 -3.061 7.464
129 H ALA 21 H ALA 21 -6.877 -6.152 3.127
130 HA ALA 21 HA ALA 21 -8.424 -4.928 0.945
131 HB1 ALA 21 3HB ALA 21 -10.218 -6.670 1.511
132 HB2 ALA 21 1HB ALA 21 -8.831 -7.192 0.556
133 HB3 ALA 21 2HB ALA 21 -8.909 -7.570 2.277
134 H PHE 22 H PHE 22 -10.033 -3.580 1.566
135 HA PHE 22 HA PHE 22 -10.594 -3.388 4.452
136 HB2 PHE 22 1HB PHE 22 -10.358 -1.116 2.467
137 HB3 PHE 22 2HB PHE 22 -10.827 -0.945 4.156
138 HD1 PHE 22 HD1 PHE 22 -8.069 -1.615 1.851
139 HD2 PHE 22 HD2 PHE 22 -9.201 -1.129 5.925
140 HE1 PHE 22 HE1 PHE 22 -5.700 -1.390 2.479
141 HE2 PHE 22 HE2 PHE 22 -6.835 -0.903 6.559
142 HZ PHE 22 HZ PHE 22 -5.081 -1.033 4.835
143 H THR 23 H THR 23 -12.690 -2.439 4.989
144 HA THR 23 HA THR 23 -14.715 -3.145 2.971
145 HB THR 23 HB THR 23 -16.277 -3.487 4.823
146 HG1 THR 23 HG1 THR 23 -14.729 -1.974 6.185
147 HG21 THR 23 3HG2 THR 23 -14.950 -5.380 5.993
148 HG22 THR 23 1HG2 THR 23 -13.663 -4.955 4.864
149 HG23 THR 23 2HG2 THR 23 -15.230 -5.488 4.255
150 H GLN 24 H GLN 24 -13.269 -0.536 3.388
151 HA GLN 24 HA GLN 24 -15.525 1.163 3.003
152 HB2 GLN 24 1HB GLN 24 -14.172 1.110 5.651
153 HB3 GLN 24 2HB GLN 24 -14.594 2.685 4.993
154 HG2 GLN 24 1HG GLN 24 -16.926 1.507 4.615
155 HG3 GLN 24 2HG GLN 24 -16.348 0.484 5.929
156 HE21 GLN 24 1HE2 GLN 24 -16.523 1.200 7.951
157 HE22 GLN 24 2HE2 GLN 24 -16.998 2.798 8.406
158 H LYS 25 H LYS 25 -14.805 2.297 1.333
159 HA LYS 25 HA LYS 25 -12.239 2.661 0.478
160 HB2 LYS 25 1HB LYS 25 -13.031 4.458 -0.897
161 HB3 LYS 25 2HB LYS 25 -14.318 3.265 -0.776
162 HG2 LYS 25 1HG LYS 25 -15.539 5.141 -0.431
163 HG3 LYS 25 2HG LYS 25 -15.058 4.823 1.238
164 HD2 LYS 25 1HD LYS 25 -14.657 7.126 0.857
165 HD3 LYS 25 2HD LYS 25 -13.078 6.337 0.824
166 HE2 LYS 25 1HE LYS 25 -14.547 6.642 -1.742
167 HE3 LYS 25 2HE LYS 25 -13.819 8.081 -1.030
168 HZ1 LYS 25 3HZ LYS 25 -12.566 6.042 -2.485
169 HZ2 LYS 25 1HZ LYS 25 -11.943 6.015 -0.912
170 HZ3 LYS 25 2HZ LYS 25 -11.873 7.437 -1.825
171 H ALA 26 H ALA 26 -13.992 4.588 2.845
172 HA ALA 26 HA ALA 26 -12.232 6.736 3.087
173 HB1 ALA 26 3HB ALA 26 -13.261 7.186 5.190
174 HB2 ALA 26 1HB ALA 26 -14.506 6.551 4.114
175 HB3 ALA 26 2HB ALA 26 -13.796 5.513 5.351
176 H HIS 27 H HIS 27 -12.136 3.524 4.529
177 HA HIS 27 HA HIS 27 -9.905 4.115 6.235
178 HB2 HIS 27 1HB HIS 27 -11.453 1.658 5.522
179 HB3 HIS 27 2HB HIS 27 -9.877 1.478 6.288
180 HD1 HIS 27 HD1 HIS 27 -13.182 1.353 7.252
181 HD2 HIS 27 HD2 HIS 27 -9.946 3.535 8.678
182 HE1 HIS 27 HE1 HIS 27 -13.788 1.993 9.607
183 H LEU 28 H LEU 28 -10.364 2.620 3.079
184 HA LEU 28 HA LEU 28 -7.683 1.724 2.779
185 HB2 LEU 28 1HB LEU 28 -9.405 0.710 1.472
186 HB3 LEU 28 2HB LEU 28 -9.878 2.264 0.790
187 HG LEU 28 HG LEU 28 -7.544 2.302 -0.264
188 HD11 LEU 28 1HD1 LEU 28 -7.539 -0.633 -0.250
189 HD12 LEU 28 2HD1 LEU 28 -7.097 0.123 1.281
190 HD13 LEU 28 3HD1 LEU 28 -6.197 0.509 -0.185
191 HD21 LEU 28 3HD2 LEU 28 -9.999 1.316 -1.114
192 HD22 LEU 28 1HD2 LEU 28 -8.832 0.084 -1.596
193 HD23 LEU 28 2HD2 LEU 28 -8.624 1.752 -2.129
194 H ALA 29 H ALA 29 -9.400 4.393 1.142
195 HA ALA 29 HA ALA 29 -7.339 5.592 -0.162
196 HB1 ALA 29 3HB ALA 29 -9.894 6.255 0.199
197 HB2 ALA 29 1HB ALA 29 -9.153 7.444 1.271
198 HB3 ALA 29 2HB ALA 29 -8.700 7.388 -0.433
199 H GLN 30 H GLN 30 -8.134 5.938 3.267
200 HA GLN 30 HA GLN 30 -6.168 7.907 3.822
201 HB2 GLN 30 1HB GLN 30 -7.922 6.123 5.434
202 HB3 GLN 30 2HB GLN 30 -6.525 6.829 6.235
203 HG2 GLN 30 1HG GLN 30 -8.751 8.071 6.376
204 HG3 GLN 30 2HG GLN 30 -7.308 8.998 5.969
205 HE21 GLN 30 1HE2 GLN 30 -7.096 9.870 3.937
206 HE22 GLN 30 2HE2 GLN 30 -8.395 9.928 2.799
207 H HIS 31 H HIS 31 -6.141 4.416 3.712
208 HA HIS 31 HA HIS 31 -3.592 4.151 5.018
209 HB2 HIS 31 1HB HIS 31 -5.020 2.283 5.253
210 HB3 HIS 31 2HB HIS 31 -5.386 2.241 3.531
211 HD1 HIS 31 HD1 HIS 31 -2.624 1.414 5.962
212 HD2 HIS 31 HD2 HIS 31 -3.676 0.716 2.004
213 HE1 HIS 31 HE1 HIS 31 -0.998 -0.314 5.128
214 H GLN 32 H GLN 32 -4.717 3.610 1.675
215 HA GLN 32 HA GLN 32 -2.414 3.000 0.399
216 HB2 GLN 32 1HB GLN 32 -4.654 4.811 -0.481
217 HB3 GLN 32 2HB GLN 32 -3.325 4.390 -1.553
218 HG2 GLN 32 1HG GLN 32 -3.895 1.980 -1.148
219 HG3 GLN 32 2HG GLN 32 -5.347 2.542 -0.322
220 HE21 GLN 32 1HE2 GLN 32 -6.606 4.212 -1.662
221 HE22 GLN 32 2HE2 GLN 32 -6.850 3.802 -3.322
222 H LYS 33 H LYS 33 -3.244 6.079 1.788
223 HA LYS 33 HA LYS 33 -0.960 7.406 0.561
224 HB2 LYS 33 1HB LYS 33 -1.811 9.427 1.465
225 HB3 LYS 33 2HB LYS 33 -3.207 8.528 0.886
226 HG2 LYS 33 1HG LYS 33 -3.969 8.076 3.012
227 HG3 LYS 33 2HG LYS 33 -2.375 8.285 3.741
228 HD2 LYS 33 1HD LYS 33 -2.644 10.753 2.934
229 HD3 LYS 33 2HD LYS 33 -4.362 10.351 2.890
230 HE2 LYS 33 1HE LYS 33 -4.500 10.102 5.164
231 HE3 LYS 33 2HE LYS 33 -2.805 9.647 5.326
232 HZ1 LYS 33 3HZ LYS 33 -4.015 12.305 5.232
233 HZ2 LYS 33 1HZ LYS 33 -2.485 12.123 4.533
234 HZ3 LYS 33 2HZ LYS 33 -2.721 11.739 6.163
235 H THR 34 H THR 34 -1.951 6.045 3.620
236 HA THR 34 HA THR 34 -0.042 7.202 5.305
237 HB THR 34 HB THR 34 -2.066 5.644 5.862
238 HG1 THR 34 HG1 THR 34 -0.655 4.934 7.801
239 HG21 THR 34 3HG2 THR 34 -1.795 3.409 5.798
240 HG22 THR 34 1HG2 THR 34 -0.111 3.498 6.311
241 HG23 THR 34 2HG2 THR 34 -0.533 3.767 4.620
242 H HIS 35 H HIS 35 0.257 4.741 2.894
243 HA HIS 35 HA HIS 35 2.528 3.382 3.776
244 HB2 HIS 35 1HB HIS 35 1.253 3.868 1.132
245 HB3 HIS 35 2HB HIS 35 2.911 3.274 1.131
246 HD1 HIS 35 HD1 HIS 35 2.586 1.381 3.632
247 HD2 HIS 35 HD2 HIS 35 0.049 1.522 0.345
248 HE1 HIS 35 HE1 HIS 35 1.452 -0.862 3.562
249 H THR 36 H THR 36 4.719 3.685 3.498
250 HA THR 36 HA THR 36 5.522 6.448 2.914
251 HB THR 36 HB THR 36 7.174 4.316 4.276
252 HG1 THR 36 HG1 THR 36 6.453 5.173 6.204
253 HG21 THR 36 3HG2 THR 36 7.824 6.855 3.265
254 HG22 THR 36 1HG2 THR 36 8.809 5.831 4.309
255 HG23 THR 36 2HG2 THR 36 7.734 7.037 5.016
256 H GLY 37 H GLY 37 6.956 6.947 1.329
257 HA2 GLY 37 1HA GLY 37 8.933 5.588 0.140
258 HA3 GLY 37 2HA GLY 37 7.522 4.866 -0.619
259 H GLU 38 H GLU 38 6.751 5.805 -2.396
260 HA GLU 38 HA GLU 38 7.775 8.474 -3.079
261 HB2 GLU 38 1HB GLU 38 8.079 6.306 -4.551
262 HB3 GLU 38 2HB GLU 38 6.448 6.694 -5.080
263 HG2 GLU 38 1HG GLU 38 8.288 7.579 -6.523
264 HG3 GLU 38 2HG GLU 38 7.127 8.779 -5.959
265 H LYS 39 H LYS 39 6.302 9.844 -2.179
266 HA LYS 39 HA LYS 39 3.490 9.507 -2.991
267 HB2 LYS 39 1HB LYS 39 3.753 9.458 -0.580
268 HB3 LYS 39 2HB LYS 39 4.668 10.959 -0.615
269 HG2 LYS 39 1HG LYS 39 2.459 11.854 -1.763
270 HG3 LYS 39 2HG LYS 39 1.749 10.505 -0.873
271 HD2 LYS 39 1HD LYS 39 3.617 12.312 0.574
272 HD3 LYS 39 2HD LYS 39 1.999 12.913 0.204
273 HE2 LYS 39 1HE LYS 39 2.556 10.302 1.604
274 HE3 LYS 39 2HE LYS 39 2.217 11.817 2.440
275 HZ1 LYS 39 3HZ LYS 39 0.052 11.578 2.082
276 HZ2 LYS 39 1HZ LYS 39 0.372 9.995 1.577
277 HZ3 LYS 39 2HZ LYS 39 0.267 11.241 0.438
278 HA PRO 40 HA PRO 40 4.991 13.137 -5.392
279 HB2 PRO 40 1HB PRO 40 3.457 12.599 -7.566
280 HB3 PRO 40 2HB PRO 40 5.043 11.864 -7.304
281 HG2 PRO 40 1HG PRO 40 2.322 10.732 -6.781
282 HG3 PRO 40 2HG PRO 40 3.738 9.950 -7.506
283 HD2 PRO 40 1HD PRO 40 3.028 9.570 -4.921
284 HD3 PRO 40 2HD PRO 40 4.720 9.546 -5.460
285 H SER 41 H SER 41 3.963 15.082 -5.727
286 HA SER 41 HA SER 41 1.447 15.444 -4.387
287 HB2 SER 41 1HB SER 41 3.196 17.403 -5.895
288 HB3 SER 41 2HB SER 41 1.776 17.844 -4.946
289 HG SER 41 HG SER 41 3.349 16.325 -3.435
290 H GLY 42 H GLY 42 -0.533 15.772 -5.249
291 HA2 GLY 42 1HA GLY 42 -1.071 16.652 -7.862
292 HA3 GLY 42 2HA GLY 42 -1.096 14.895 -7.857
293 HA PRO 43 HA PRO 43 -4.708 16.634 -5.080
294 HB2 PRO 43 1HB PRO 43 -5.615 19.054 -5.910
295 HB3 PRO 43 2HB PRO 43 -4.379 18.869 -4.661
296 HG2 PRO 43 1HG PRO 43 -4.054 19.501 -7.569
297 HG3 PRO 43 2HG PRO 43 -3.232 20.216 -6.170
298 HD2 PRO 43 1HD PRO 43 -2.077 18.327 -7.728
299 HD3 PRO 43 2HD PRO 43 -1.743 18.466 -5.990
300 H SER 44 H SER 44 -6.563 15.694 -5.650
301 HA SER 44 HA SER 44 -8.127 14.697 -6.992
302 HB2 SER 44 1HB SER 44 -9.437 16.317 -8.347
303 HB3 SER 44 2HB SER 44 -9.121 16.903 -6.714
304 HG SER 44 HG SER 44 -8.547 18.101 -8.981
305 H SER 45 H SER 45 -5.545 14.198 -7.912
306 HA SER 45 HA SER 45 -5.069 14.774 -10.602
307 HB2 SER 45 1HB SER 45 -3.481 12.970 -10.568
308 HB3 SER 45 2HB SER 45 -3.439 13.742 -8.983
309 HG SER 45 HG SER 45 -4.156 11.967 -8.106
310 H GLY 46 H GLY 46 -5.206 13.319 -12.461
311 HA2 GLY 46 1HA GLY 46 -7.115 11.152 -12.371
312 HA3 GLY 46 2HA GLY 46 -7.706 12.586 -13.198
Start of MODEL 6
1 H1 GLY 1 H GLY 1 -6.261 -24.812 -17.176
2 HA2 GLY 1 1HA GLY 1 -4.851 -22.508 -17.544
3 HA3 GLY 1 2HA GLY 1 -5.995 -22.507 -18.878
4 H SER 2 H SER 2 -6.439 -23.649 -15.550
5 HA SER 2 HA SER 2 -8.453 -21.532 -15.178
6 HB2 SER 2 1HB SER 2 -8.713 -24.376 -14.179
7 HB3 SER 2 2HB SER 2 -9.918 -23.095 -14.055
8 HG SER 2 HG SER 2 -9.079 -24.538 -16.319
9 H SER 3 H SER 3 -7.158 -20.240 -13.915
10 HA SER 3 HA SER 3 -6.229 -21.414 -11.376
11 HB2 SER 3 1HB SER 3 -4.320 -20.632 -12.575
12 HB3 SER 3 2HB SER 3 -5.123 -19.121 -13.001
13 HG SER 3 HG SER 3 -3.814 -19.834 -10.690
14 H GLY 4 H GLY 4 -8.213 -21.085 -10.314
15 HA2 GLY 4 1HA GLY 4 -9.154 -18.318 -10.074
16 HA3 GLY 4 2HA GLY 4 -10.030 -19.754 -9.566
17 H SER 5 H SER 5 -10.121 -17.885 -7.773
18 HA SER 5 HA SER 5 -8.166 -18.710 -5.737
19 HB2 SER 5 1HB SER 5 -9.143 -15.892 -6.251
20 HB3 SER 5 2HB SER 5 -8.189 -16.381 -4.850
21 HG SER 5 HG SER 5 -6.857 -17.283 -6.873
22 H SER 6 H SER 6 -8.924 -18.744 -3.596
23 HA SER 6 HA SER 6 -11.551 -19.606 -3.237
24 HB2 SER 6 1HB SER 6 -9.538 -19.999 -1.714
25 HB3 SER 6 2HB SER 6 -9.867 -18.403 -1.039
26 HG SER 6 HG SER 6 -12.087 -19.291 -0.724
27 H GLY 7 H GLY 7 -13.337 -18.655 -2.151
28 HA2 GLY 7 1HA GLY 7 -13.381 -15.710 -2.377
29 HA3 GLY 7 2HA GLY 7 -14.773 -16.740 -2.671
30 H THR 8 H THR 8 -12.570 -15.571 -0.175
31 HA THR 8 HA THR 8 -14.611 -16.223 1.847
32 HB THR 8 HB THR 8 -12.801 -16.053 3.523
33 HG1 THR 8 HG1 THR 8 -11.000 -15.139 2.921
34 HG21 THR 8 3HG2 THR 8 -11.882 -17.959 1.395
35 HG22 THR 8 1HG2 THR 8 -13.418 -18.198 2.226
36 HG23 THR 8 2HG2 THR 8 -11.913 -18.180 3.144
37 H GLY 9 H GLY 9 -15.863 -14.360 1.595
38 HA2 GLY 9 1HA GLY 9 -16.467 -12.163 1.894
39 HA3 GLY 9 2HA GLY 9 -15.294 -12.188 3.203
40 H GLU 10 H GLU 10 -15.548 -11.791 -0.318
41 HA GLU 10 HA GLU 10 -12.992 -10.491 -0.498
42 HB2 GLU 10 1HB GLU 10 -13.432 -10.281 -2.830
43 HB3 GLU 10 2HB GLU 10 -14.037 -11.856 -2.336
44 HG2 GLU 10 1HG GLU 10 -15.772 -9.416 -2.609
45 HG3 GLU 10 2HG GLU 10 -15.515 -10.589 -3.899
46 H LYS 11 H LYS 11 -12.596 -8.315 -0.993
47 HA LYS 11 HA LYS 11 -14.808 -6.488 -0.313
48 HB2 LYS 11 1HB LYS 11 -11.859 -6.292 0.296
49 HB3 LYS 11 2HB LYS 11 -12.956 -4.926 0.446
50 HG2 LYS 11 1HG LYS 11 -12.967 -5.686 2.592
51 HG3 LYS 11 2HG LYS 11 -14.321 -6.609 1.937
52 HD2 LYS 11 1HD LYS 11 -13.115 -8.581 1.874
53 HD3 LYS 11 2HD LYS 11 -11.559 -7.748 1.827
54 HE2 LYS 11 1HE LYS 11 -12.051 -6.974 4.183
55 HE3 LYS 11 2HE LYS 11 -13.402 -8.107 4.180
56 HZ1 LYS 11 3HZ LYS 11 -10.528 -8.641 4.238
57 HZ2 LYS 11 1HZ LYS 11 -11.511 -9.742 3.410
58 HZ3 LYS 11 2HZ LYS 11 -11.790 -9.425 5.048
59 HA PRO 12 HA PRO 12 -14.305 -4.723 -4.322
60 HB2 PRO 12 1HB PRO 12 -15.523 -2.340 -3.866
61 HB3 PRO 12 2HB PRO 12 -16.414 -3.858 -4.033
62 HG2 PRO 12 1HG PRO 12 -15.616 -2.395 -1.547
63 HG3 PRO 12 2HG PRO 12 -17.157 -3.182 -1.936
64 HD2 PRO 12 1HD PRO 12 -15.286 -4.342 -0.360
65 HD3 PRO 12 2HD PRO 12 -16.360 -5.281 -1.417
66 H TYR 13 H TYR 13 -12.773 -3.610 -1.530
67 HA TYR 13 HA TYR 13 -11.114 -1.772 -3.124
68 HB2 TYR 13 1HB TYR 13 -11.794 -1.410 -0.200
69 HB3 TYR 13 2HB TYR 13 -10.866 -0.310 -1.214
70 HD1 TYR 13 HD1 TYR 13 -12.062 0.809 -3.168
71 HD2 TYR 13 HD2 TYR 13 -14.125 -1.210 -0.042
72 HE1 TYR 13 HE1 TYR 13 -14.124 2.009 -3.762
73 HE2 TYR 13 HE2 TYR 13 -16.194 -0.017 -0.629
74 HH TYR 13 HH TYR 13 -16.418 2.620 -2.181
75 H GLU 14 H GLU 14 -9.245 -2.798 -3.419
76 HA GLU 14 HA GLU 14 -7.949 -4.007 -1.069
77 HB2 GLU 14 1HB GLU 14 -8.898 -5.610 -2.898
78 HB3 GLU 14 2HB GLU 14 -7.497 -5.094 -3.826
79 HG2 GLU 14 1HG GLU 14 -6.000 -6.080 -2.368
80 HG3 GLU 14 2HG GLU 14 -7.159 -6.112 -1.040
81 H CYS 15 H CYS 15 -5.624 -4.006 -1.112
82 HA CYS 15 HA CYS 15 -4.563 -1.734 -2.640
83 HB2 CYS 15 1HB CYS 15 -4.391 -1.596 -0.181
84 HB3 CYS 15 2HB CYS 15 -3.451 -3.084 -0.171
85 H LYS 16 H LYS 16 -2.280 -1.894 -3.346
86 HA LYS 16 HA LYS 16 -1.708 -4.606 -4.342
87 HB2 LYS 16 1HB LYS 16 -1.002 -1.910 -5.512
88 HB3 LYS 16 2HB LYS 16 -0.434 -3.446 -6.153
89 HG2 LYS 16 1HG LYS 16 -3.354 -2.821 -5.856
90 HG3 LYS 16 2HG LYS 16 -2.431 -2.384 -7.296
91 HD2 LYS 16 1HD LYS 16 -2.405 -5.191 -6.241
92 HD3 LYS 16 2HD LYS 16 -3.719 -4.624 -7.274
93 HE2 LYS 16 1HE LYS 16 -0.871 -4.222 -8.097
94 HE3 LYS 16 2HE LYS 16 -1.649 -5.785 -8.338
95 HZ1 LYS 16 3HZ LYS 16 -2.705 -3.206 -9.364
96 HZ2 LYS 16 1HZ LYS 16 -3.328 -4.748 -9.676
97 HZ3 LYS 16 2HZ LYS 16 -1.812 -4.310 -10.282
98 H VAL 17 H VAL 17 -0.423 -1.827 -2.678
99 HA VAL 17 HA VAL 17 2.312 -2.568 -2.741
100 HB VAL 17 HB VAL 17 0.844 -0.859 -0.727
101 HG11 VAL 17 1HG1 VAL 17 3.799 -1.017 -1.309
102 HG12 VAL 17 2HG1 VAL 17 3.012 0.025 -0.122
103 HG13 VAL 17 3HG1 VAL 17 3.004 -1.725 0.097
104 HG21 VAL 17 3HG2 VAL 17 0.696 -0.064 -3.065
105 HG22 VAL 17 1HG2 VAL 17 1.608 1.029 -2.025
106 HG23 VAL 17 2HG2 VAL 17 2.458 -0.039 -3.141
107 H CYS 18 H CYS 18 -0.127 -2.856 -0.152
108 HA CYS 18 HA CYS 18 1.517 -4.999 1.027
109 HB2 CYS 18 1HB CYS 18 0.358 -4.445 3.171
110 HB3 CYS 18 2HB CYS 18 1.358 -3.137 2.547
111 H SER 19 H SER 19 -0.655 -5.058 -1.080
112 HA SER 19 HA SER 19 -2.635 -6.146 -1.543
113 HB2 SER 19 1HB SER 19 -0.899 -8.138 -0.095
114 HB3 SER 19 2HB SER 19 -2.453 -8.605 -0.786
115 HG SER 19 HG SER 19 -0.130 -7.690 -2.094
116 H LYS 20 H LYS 20 -2.788 -4.549 0.864
117 HA LYS 20 HA LYS 20 -4.241 -6.084 2.824
118 HB2 LYS 20 1HB LYS 20 -2.836 -4.123 3.428
119 HB3 LYS 20 2HB LYS 20 -3.961 -3.084 2.562
120 HG2 LYS 20 1HG LYS 20 -5.731 -3.647 4.101
121 HG3 LYS 20 2HG LYS 20 -4.683 -4.803 4.927
122 HD2 LYS 20 1HD LYS 20 -3.218 -3.020 5.646
123 HD3 LYS 20 2HD LYS 20 -4.150 -1.840 4.721
124 HE2 LYS 20 1HE LYS 20 -5.010 -1.531 6.831
125 HE3 LYS 20 2HE LYS 20 -6.140 -2.714 6.173
126 HZ1 LYS 20 3HZ LYS 20 -5.360 -3.238 8.442
127 HZ2 LYS 20 1HZ LYS 20 -3.786 -3.406 7.845
128 HZ3 LYS 20 2HZ LYS 20 -5.004 -4.457 7.324
129 H ALA 21 H ALA 21 -6.448 -5.842 3.348
130 HA ALA 21 HA ALA 21 -8.104 -4.817 1.134
131 HB1 ALA 21 3HB ALA 21 -9.802 -6.526 2.019
132 HB2 ALA 21 1HB ALA 21 -8.420 -7.127 1.101
133 HB3 ALA 21 2HB ALA 21 -8.430 -7.246 2.861
134 H PHE 22 H PHE 22 -10.126 -3.862 1.677
135 HA PHE 22 HA PHE 22 -10.508 -3.137 4.488
136 HB2 PHE 22 1HB PHE 22 -10.727 -1.041 2.340
137 HB3 PHE 22 2HB PHE 22 -10.627 -0.818 4.083
138 HD1 PHE 22 HD1 PHE 22 -8.659 -2.064 1.184
139 HD2 PHE 22 HD2 PHE 22 -8.594 -0.320 5.067
140 HE1 PHE 22 HE1 PHE 22 -6.226 -1.748 0.998
141 HE2 PHE 22 HE2 PHE 22 -6.161 -0.001 4.886
142 HZ PHE 22 HZ PHE 22 -4.974 -0.714 2.850
143 H THR 23 H THR 23 -12.643 -2.487 5.020
144 HA THR 23 HA THR 23 -14.644 -3.717 3.323
145 HB THR 23 HB THR 23 -14.793 -4.170 5.693
146 HG1 THR 23 HG1 THR 23 -16.888 -2.374 4.978
147 HG21 THR 23 3HG2 THR 23 -14.229 -2.618 7.187
148 HG22 THR 23 1HG2 THR 23 -15.694 -1.724 6.781
149 HG23 THR 23 2HG2 THR 23 -14.188 -1.383 5.929
150 H GLN 24 H GLN 24 -13.555 -0.534 4.167
151 HA GLN 24 HA GLN 24 -15.676 0.598 2.470
152 HB2 GLN 24 1HB GLN 24 -14.619 1.629 5.094
153 HB3 GLN 24 2HB GLN 24 -15.443 2.678 3.947
154 HG2 GLN 24 1HG GLN 24 -17.419 1.228 4.064
155 HG3 GLN 24 2HG GLN 24 -16.592 0.222 5.252
156 HE21 GLN 24 1HE2 GLN 24 -16.134 1.103 7.310
157 HE22 GLN 24 2HE2 GLN 24 -17.044 2.434 7.930
158 H LYS 25 H LYS 25 -15.100 2.365 1.178
159 HA LYS 25 HA LYS 25 -12.501 2.328 0.128
160 HB2 LYS 25 1HB LYS 25 -13.185 4.336 -1.130
161 HB3 LYS 25 2HB LYS 25 -14.403 3.069 -1.191
162 HG2 LYS 25 1HG LYS 25 -15.808 4.215 0.324
163 HG3 LYS 25 2HG LYS 25 -14.531 5.354 0.755
164 HD2 LYS 25 1HD LYS 25 -14.687 6.483 -1.282
165 HD3 LYS 25 2HD LYS 25 -15.524 5.142 -2.067
166 HE2 LYS 25 1HE LYS 25 -17.464 5.564 -0.562
167 HE3 LYS 25 2HE LYS 25 -16.627 6.994 0.041
168 HZ1 LYS 25 3HZ LYS 25 -18.308 6.930 -2.085
169 HZ2 LYS 25 1HZ LYS 25 -16.786 6.903 -2.823
170 HZ3 LYS 25 2HZ LYS 25 -17.188 8.155 -1.759
171 H ALA 26 H ALA 26 -14.047 4.495 2.452
172 HA ALA 26 HA ALA 26 -12.155 6.488 2.656
173 HB1 ALA 26 3HB ALA 26 -12.929 6.190 5.256
174 HB2 ALA 26 1HB ALA 26 -13.829 7.072 4.022
175 HB3 ALA 26 2HB ALA 26 -14.243 5.397 4.388
176 H HIS 27 H HIS 27 -12.229 3.391 4.407
177 HA HIS 27 HA HIS 27 -9.960 3.742 5.968
178 HB2 HIS 27 1HB HIS 27 -11.720 1.801 5.878
179 HB3 HIS 27 2HB HIS 27 -10.566 1.062 4.772
180 HD1 HIS 27 HD1 HIS 27 -10.173 -0.822 6.546
181 HD2 HIS 27 HD2 HIS 27 -9.054 2.987 7.770
182 HE1 HIS 27 HE1 HIS 27 -8.750 -1.164 8.591
183 H LEU 28 H LEU 28 -10.241 2.469 2.671
184 HA LEU 28 HA LEU 28 -7.493 1.862 2.360
185 HB2 LEU 28 1HB LEU 28 -9.045 0.809 0.913
186 HB3 LEU 28 2HB LEU 28 -9.717 2.354 0.397
187 HG LEU 28 HG LEU 28 -7.287 2.731 -0.538
188 HD11 LEU 28 1HD1 LEU 28 -6.545 0.448 -1.477
189 HD12 LEU 28 2HD1 LEU 28 -7.471 -0.229 -0.138
190 HD13 LEU 28 3HD1 LEU 28 -6.123 0.860 0.186
191 HD21 LEU 28 3HD2 LEU 28 -9.049 0.807 -2.018
192 HD22 LEU 28 1HD2 LEU 28 -8.072 2.130 -2.654
193 HD23 LEU 28 2HD2 LEU 28 -9.537 2.478 -1.737
194 H ALA 29 H ALA 29 -9.440 4.602 1.174
195 HA ALA 29 HA ALA 29 -7.471 6.061 -0.075
196 HB1 ALA 29 3HB ALA 29 -9.119 7.913 1.300
197 HB2 ALA 29 1HB ALA 29 -9.203 7.408 -0.388
198 HB3 ALA 29 2HB ALA 29 -10.118 6.534 0.841
199 H GLN 30 H GLN 30 -8.303 6.031 3.370
200 HA GLN 30 HA GLN 30 -6.415 8.030 4.103
201 HB2 GLN 30 1HB GLN 30 -8.353 7.559 5.500
202 HB3 GLN 30 2HB GLN 30 -7.790 5.914 5.767
203 HG2 GLN 30 1HG GLN 30 -5.904 6.697 7.017
204 HG3 GLN 30 2HG GLN 30 -6.283 8.373 6.622
205 HE21 GLN 30 1HE2 GLN 30 -5.975 7.260 9.229
206 HE22 GLN 30 2HE2 GLN 30 -7.483 7.448 10.050
207 H HIS 31 H HIS 31 -6.344 4.515 3.951
208 HA HIS 31 HA HIS 31 -3.898 4.132 5.298
209 HB2 HIS 31 1HB HIS 31 -5.022 2.142 5.087
210 HB3 HIS 31 2HB HIS 31 -5.595 2.514 3.464
211 HD1 HIS 31 HD1 HIS 31 -2.372 1.505 5.202
212 HD2 HIS 31 HD2 HIS 31 -4.219 1.256 1.489
213 HE1 HIS 31 HE1 HIS 31 -0.864 0.065 3.796
214 H GLN 32 H GLN 32 -4.625 4.328 1.817
215 HA GLN 32 HA GLN 32 -2.281 3.923 0.612
216 HB2 GLN 32 1HB GLN 32 -4.329 6.058 0.147
217 HB3 GLN 32 2HB GLN 32 -2.866 6.032 -0.829
218 HG2 GLN 32 1HG GLN 32 -3.414 4.030 -1.839
219 HG3 GLN 32 2HG GLN 32 -4.517 3.563 -0.546
220 HE21 GLN 32 1HE2 GLN 32 -6.161 3.127 -2.022
221 HE22 GLN 32 2HE2 GLN 32 -7.037 4.387 -2.815
222 H LYS 33 H LYS 33 -3.078 6.856 2.424
223 HA LYS 33 HA LYS 33 -0.951 8.475 1.910
224 HB2 LYS 33 1HB LYS 33 -2.460 7.939 4.449
225 HB3 LYS 33 2HB LYS 33 -1.123 9.081 4.436
226 HG2 LYS 33 1HG LYS 33 -3.085 10.349 4.136
227 HG3 LYS 33 2HG LYS 33 -2.307 10.266 2.553
228 HD2 LYS 33 1HD LYS 33 -3.828 8.496 1.874
229 HD3 LYS 33 2HD LYS 33 -4.574 8.498 3.474
230 HE2 LYS 33 1HE LYS 33 -4.478 11.049 1.943
231 HE3 LYS 33 2HE LYS 33 -5.638 9.817 1.450
232 HZ1 LYS 33 3HZ LYS 33 -6.170 11.634 3.292
233 HZ2 LYS 33 1HZ LYS 33 -5.523 10.433 4.293
234 HZ3 LYS 33 2HZ LYS 33 -6.858 10.089 3.313
235 H THR 34 H THR 34 -1.007 5.928 4.404
236 HA THR 34 HA THR 34 1.502 6.140 5.440
237 HB THR 34 HB THR 34 -0.249 4.439 6.082
238 HG1 THR 34 HG1 THR 34 2.430 3.530 5.713
239 HG21 THR 34 3HG2 THR 34 0.989 2.449 4.289
240 HG22 THR 34 1HG2 THR 34 -0.108 3.597 3.522
241 HG23 THR 34 2HG2 THR 34 -0.676 2.587 4.852
242 H HIS 35 H HIS 35 0.618 4.912 2.287
243 HA HIS 35 HA HIS 35 3.268 3.901 1.729
244 HB2 HIS 35 1HB HIS 35 0.774 4.179 0.051
245 HB3 HIS 35 2HB HIS 35 2.298 3.576 -0.595
246 HD1 HIS 35 HD1 HIS 35 3.032 1.840 1.951
247 HD2 HIS 35 HD2 HIS 35 -0.587 1.783 -0.089
248 HE1 HIS 35 HE1 HIS 35 2.011 -0.402 2.456
249 H THR 36 H THR 36 4.700 4.737 0.174
250 HA THR 36 HA THR 36 4.554 7.638 -0.090
251 HB THR 36 HB THR 36 6.904 7.472 -0.868
252 HG1 THR 36 HG1 THR 36 6.789 5.341 -1.737
253 HG21 THR 36 3HG2 THR 36 7.790 7.234 1.249
254 HG22 THR 36 1HG2 THR 36 6.752 5.866 1.647
255 HG23 THR 36 2HG2 THR 36 6.088 7.499 1.622
256 H GLY 37 H GLY 37 4.858 8.722 -2.085
257 HA2 GLY 37 1HA GLY 37 4.999 7.330 -4.571
258 HA3 GLY 37 2HA GLY 37 3.352 7.833 -4.220
259 H GLU 38 H GLU 38 6.500 9.410 -3.685
260 HA GLU 38 HA GLU 38 5.445 11.754 -5.118
261 HB2 GLU 38 1HB GLU 38 6.033 12.088 -2.725
262 HB3 GLU 38 2HB GLU 38 7.693 11.646 -3.100
263 HG2 GLU 38 1HG GLU 38 8.067 13.587 -4.321
264 HG3 GLU 38 2HG GLU 38 6.345 13.901 -4.530
265 H LYS 39 H LYS 39 6.115 11.703 -7.168
266 HA LYS 39 HA LYS 39 8.932 11.017 -7.696
267 HB2 LYS 39 1HB LYS 39 6.467 10.705 -9.406
268 HB3 LYS 39 2HB LYS 39 8.095 10.596 -10.065
269 HG2 LYS 39 1HG LYS 39 7.563 8.388 -9.690
270 HG3 LYS 39 2HG LYS 39 8.456 8.809 -8.227
271 HD2 LYS 39 1HD LYS 39 6.488 8.966 -6.945
272 HD3 LYS 39 2HD LYS 39 5.460 9.009 -8.380
273 HE2 LYS 39 1HE LYS 39 7.149 6.641 -7.590
274 HE3 LYS 39 2HE LYS 39 5.455 6.832 -7.138
275 HZ1 LYS 39 3HZ LYS 39 5.892 7.210 -9.941
276 HZ2 LYS 39 1HZ LYS 39 4.796 6.194 -9.149
277 HZ3 LYS 39 2HZ LYS 39 6.383 5.677 -9.423
278 HA PRO 40 HA PRO 40 8.577 15.526 -8.570
279 HB2 PRO 40 1HB PRO 40 11.079 16.108 -7.690
280 HB3 PRO 40 2HB PRO 40 9.681 16.007 -6.613
281 HG2 PRO 40 1HG PRO 40 11.805 13.969 -7.157
282 HG3 PRO 40 2HG PRO 40 11.080 14.443 -5.610
283 HD2 PRO 40 1HD PRO 40 10.339 12.204 -6.940
284 HD3 PRO 40 2HD PRO 40 9.207 13.142 -5.945
285 H SER 41 H SER 41 9.359 16.614 -10.328
286 HA SER 41 HA SER 41 10.134 16.711 -12.489
287 HB2 SER 41 1HB SER 41 12.622 16.709 -12.594
288 HB3 SER 41 2HB SER 41 11.994 17.675 -11.259
289 HG SER 41 HG SER 41 13.379 15.252 -11.216
290 H GLY 42 H GLY 42 9.012 14.182 -11.924
291 HA2 GLY 42 1HA GLY 42 10.189 12.655 -14.043
292 HA3 GLY 42 2HA GLY 42 10.483 11.932 -12.469
293 HA PRO 43 HA PRO 43 5.683 11.909 -13.123
294 HB2 PRO 43 1HB PRO 43 4.812 12.508 -15.624
295 HB3 PRO 43 2HB PRO 43 5.014 13.726 -14.359
296 HG2 PRO 43 1HG PRO 43 6.843 13.025 -16.623
297 HG3 PRO 43 2HG PRO 43 6.384 14.625 -16.009
298 HD2 PRO 43 1HD PRO 43 8.739 13.445 -15.382
299 HD3 PRO 43 2HD PRO 43 7.883 14.523 -14.261
300 H SER 44 H SER 44 8.152 10.529 -14.819
301 HA SER 44 HA SER 44 6.857 8.759 -16.581
302 HB2 SER 44 1HB SER 44 8.929 7.525 -16.621
303 HB3 SER 44 2HB SER 44 9.319 9.243 -16.543
304 HG SER 44 HG SER 44 9.278 8.696 -14.107
305 H SER 45 H SER 45 6.284 6.579 -16.358
306 HA SER 45 HA SER 45 5.153 4.887 -15.324
307 HB2 SER 45 1HB SER 45 7.627 5.276 -13.684
308 HB3 SER 45 2HB SER 45 6.412 4.119 -13.139
309 HG SER 45 HG SER 45 7.072 3.944 -15.810
310 H GLY 46 H GLY 46 4.022 7.374 -14.811
311 HA2 GLY 46 1HA GLY 46 2.147 7.897 -13.480
312 HA3 GLY 46 2HA GLY 46 2.762 6.823 -12.232
Start of MODEL 7
1 H1 GLY 1 H GLY 1 1.811 -28.422 2.830
2 HA2 GLY 1 1HA GLY 1 0.928 -30.744 3.629
3 HA3 GLY 1 2HA GLY 1 1.450 -30.128 5.190
4 H SER 2 H SER 2 0.444 -28.145 5.972
5 HA SER 2 HA SER 2 -2.327 -27.915 5.001
6 HB2 SER 2 1HB SER 2 -2.351 -28.748 7.237
7 HB3 SER 2 2HB SER 2 -1.156 -27.564 7.763
8 HG SER 2 HG SER 2 -2.884 -26.496 8.338
9 H SER 3 H SER 3 -3.218 -25.915 4.640
10 HA SER 3 HA SER 3 -1.329 -23.761 4.210
11 HB2 SER 3 1HB SER 3 -3.231 -22.618 3.125
12 HB3 SER 3 2HB SER 3 -2.997 -24.243 2.483
13 HG SER 3 HG SER 3 -5.205 -23.275 3.423
14 H GLY 4 H GLY 4 -4.385 -24.191 5.996
15 HA2 GLY 4 1HA GLY 4 -4.894 -23.353 8.117
16 HA3 GLY 4 2HA GLY 4 -3.409 -22.415 8.078
17 H SER 5 H SER 5 -3.444 -20.628 6.337
18 HA SER 5 HA SER 5 -5.750 -18.990 6.901
19 HB2 SER 5 1HB SER 5 -3.183 -18.490 5.389
20 HB3 SER 5 2HB SER 5 -4.465 -17.286 5.515
21 HG SER 5 HG SER 5 -3.926 -16.920 7.522
22 H SER 6 H SER 6 -7.496 -18.825 5.673
23 HA SER 6 HA SER 6 -7.280 -19.222 2.782
24 HB2 SER 6 1HB SER 6 -8.876 -20.888 4.674
25 HB3 SER 6 2HB SER 6 -9.588 -20.507 3.106
26 HG SER 6 HG SER 6 -6.966 -21.530 3.336
27 H GLY 7 H GLY 7 -8.203 -17.566 1.782
28 HA2 GLY 7 1HA GLY 7 -10.443 -16.468 1.463
29 HA3 GLY 7 2HA GLY 7 -10.369 -16.127 3.186
30 H THR 8 H THR 8 -8.033 -15.807 0.513
31 HA THR 8 HA THR 8 -6.578 -13.699 1.322
32 HB THR 8 HB THR 8 -6.171 -14.754 -0.827
33 HG1 THR 8 HG1 THR 8 -6.147 -12.595 -2.087
34 HG21 THR 8 3HG2 THR 8 -8.415 -15.100 -1.620
35 HG22 THR 8 1HG2 THR 8 -7.557 -14.109 -2.799
36 HG23 THR 8 2HG2 THR 8 -8.706 -13.362 -1.690
37 H GLY 9 H GLY 9 -9.838 -13.505 -0.032
38 HA2 GLY 9 1HA GLY 9 -11.239 -11.735 1.020
39 HA3 GLY 9 2HA GLY 9 -9.885 -10.651 0.737
40 H GLU 10 H GLU 10 -12.789 -10.818 -0.222
41 HA GLU 10 HA GLU 10 -12.161 -10.342 -3.056
42 HB2 GLU 10 1HB GLU 10 -14.271 -11.350 -3.719
43 HB3 GLU 10 2HB GLU 10 -13.301 -12.513 -2.826
44 HG2 GLU 10 1HG GLU 10 -14.631 -12.148 -0.840
45 HG3 GLU 10 2HG GLU 10 -15.565 -10.904 -1.668
46 H LYS 11 H LYS 11 -12.199 -8.349 -1.137
47 HA LYS 11 HA LYS 11 -14.797 -7.055 -1.224
48 HB2 LYS 11 1HB LYS 11 -12.186 -6.486 0.129
49 HB3 LYS 11 2HB LYS 11 -13.368 -5.195 -0.048
50 HG2 LYS 11 1HG LYS 11 -14.830 -6.141 1.421
51 HG3 LYS 11 2HG LYS 11 -14.289 -7.785 1.074
52 HD2 LYS 11 1HD LYS 11 -12.373 -5.918 2.376
53 HD3 LYS 11 2HD LYS 11 -13.691 -6.573 3.351
54 HE2 LYS 11 1HE LYS 11 -12.985 -8.858 2.512
55 HE3 LYS 11 2HE LYS 11 -11.535 -8.076 1.887
56 HZ1 LYS 11 3HZ LYS 11 -12.299 -8.641 4.640
57 HZ2 LYS 11 1HZ LYS 11 -11.490 -7.181 4.368
58 HZ3 LYS 11 2HZ LYS 11 -10.769 -8.643 3.919
59 HA PRO 12 HA PRO 12 -14.092 -4.433 -4.671
60 HB2 PRO 12 1HB PRO 12 -15.276 -2.124 -3.873
61 HB3 PRO 12 2HB PRO 12 -16.191 -3.571 -4.313
62 HG2 PRO 12 1HG PRO 12 -15.452 -2.549 -1.598
63 HG3 PRO 12 2HG PRO 12 -16.994 -3.223 -2.158
64 HD2 PRO 12 1HD PRO 12 -15.203 -4.670 -0.733
65 HD3 PRO 12 2HD PRO 12 -16.259 -5.399 -1.961
66 H TYR 13 H TYR 13 -12.693 -3.759 -1.653
67 HA TYR 13 HA TYR 13 -10.927 -1.748 -2.884
68 HB2 TYR 13 1HB TYR 13 -11.655 -1.856 0.046
69 HB3 TYR 13 2HB TYR 13 -10.739 -0.601 -0.780
70 HD1 TYR 13 HD1 TYR 13 -11.973 0.724 -2.620
71 HD2 TYR 13 HD2 TYR 13 -13.960 -1.637 0.309
72 HE1 TYR 13 HE1 TYR 13 -14.049 1.980 -3.024
73 HE2 TYR 13 HE2 TYR 13 -16.042 -0.389 -0.088
74 HH TYR 13 HH TYR 13 -17.086 0.983 -1.703
75 H GLU 14 H GLU 14 -8.987 -2.600 -3.198
76 HA GLU 14 HA GLU 14 -7.732 -4.116 -1.039
77 HB2 GLU 14 1HB GLU 14 -8.814 -5.685 -2.739
78 HB3 GLU 14 2HB GLU 14 -7.605 -5.112 -3.880
79 HG2 GLU 14 1HG GLU 14 -5.965 -5.781 -1.917
80 HG3 GLU 14 2HG GLU 14 -7.300 -6.856 -1.504
81 H CYS 15 H CYS 15 -5.641 -3.612 -0.758
82 HA CYS 15 HA CYS 15 -4.496 -1.532 -2.383
83 HB2 CYS 15 1HB CYS 15 -4.285 -1.898 0.190
84 HB3 CYS 15 2HB CYS 15 -2.992 -3.011 -0.246
85 H LYS 16 H LYS 16 -2.207 -1.703 -3.145
86 HA LYS 16 HA LYS 16 -1.802 -4.311 -4.445
87 HB2 LYS 16 1HB LYS 16 -2.115 -2.023 -5.727
88 HB3 LYS 16 2HB LYS 16 -0.407 -1.829 -5.355
89 HG2 LYS 16 1HG LYS 16 -0.390 -2.795 -7.458
90 HG3 LYS 16 2HG LYS 16 -0.136 -4.172 -6.384
91 HD2 LYS 16 1HD LYS 16 -1.773 -5.037 -7.719
92 HD3 LYS 16 2HD LYS 16 -2.782 -4.271 -6.490
93 HE2 LYS 16 1HE LYS 16 -1.969 -2.948 -9.073
94 HE3 LYS 16 2HE LYS 16 -3.483 -3.823 -8.849
95 HZ1 LYS 16 3HZ LYS 16 -3.938 -1.547 -8.499
96 HZ2 LYS 16 1HZ LYS 16 -2.607 -1.348 -7.474
97 HZ3 LYS 16 2HZ LYS 16 -3.937 -2.261 -6.966
98 H VAL 17 H VAL 17 -0.165 -1.713 -2.703
99 HA VAL 17 HA VAL 17 2.427 -2.829 -2.767
100 HB VAL 17 HB VAL 17 1.206 -0.958 -0.732
101 HG11 VAL 17 1HG1 VAL 17 4.046 -1.819 -1.217
102 HG12 VAL 17 2HG1 VAL 17 3.633 -0.336 -0.355
103 HG13 VAL 17 3HG1 VAL 17 3.120 -1.899 0.281
104 HG21 VAL 17 3HG2 VAL 17 1.264 -0.223 -3.153
105 HG22 VAL 17 1HG2 VAL 17 2.095 0.827 -2.005
106 HG23 VAL 17 2HG2 VAL 17 3.022 -0.267 -3.030
107 H CYS 18 H CYS 18 0.269 -2.603 0.065
108 HA CYS 18 HA CYS 18 1.649 -4.805 1.333
109 HB2 CYS 18 1HB CYS 18 0.287 -4.325 3.262
110 HB3 CYS 18 2HB CYS 18 0.863 -2.799 2.599
111 H SER 19 H SER 19 -1.096 -4.374 -0.652
112 HA SER 19 HA SER 19 -2.652 -5.814 -1.476
113 HB2 SER 19 1HB SER 19 -0.539 -7.644 -0.454
114 HB3 SER 19 2HB SER 19 -2.109 -8.354 -0.827
115 HG SER 19 HG SER 19 -1.846 -7.895 -2.908
116 H LYS 20 H LYS 20 -3.316 -4.528 0.844
117 HA LYS 20 HA LYS 20 -4.700 -6.582 2.438
118 HB2 LYS 20 1HB LYS 20 -3.040 -4.806 3.458
119 HB3 LYS 20 2HB LYS 20 -4.440 -3.747 3.352
120 HG2 LYS 20 1HG LYS 20 -5.696 -5.574 4.619
121 HG3 LYS 20 2HG LYS 20 -4.102 -6.245 4.972
122 HD2 LYS 20 1HD LYS 20 -3.435 -4.161 6.030
123 HD3 LYS 20 2HD LYS 20 -4.990 -3.434 5.620
124 HE2 LYS 20 1HE LYS 20 -4.984 -4.142 7.937
125 HE3 LYS 20 2HE LYS 20 -6.122 -5.116 7.008
126 HZ1 LYS 20 3HZ LYS 20 -4.285 -6.132 8.656
127 HZ2 LYS 20 1HZ LYS 20 -3.440 -6.192 7.191
128 HZ3 LYS 20 2HZ LYS 20 -4.933 -6.973 7.339
129 H ALA 21 H ALA 21 -6.854 -6.681 2.376
130 HA ALA 21 HA ALA 21 -8.287 -4.704 0.779
131 HB1 ALA 21 3HB ALA 21 -9.280 -6.548 0.031
132 HB2 ALA 21 1HB ALA 21 -8.590 -7.523 1.329
133 HB3 ALA 21 2HB ALA 21 -10.101 -6.650 1.589
134 H PHE 22 H PHE 22 -10.254 -3.739 1.507
135 HA PHE 22 HA PHE 22 -10.627 -3.700 4.420
136 HB2 PHE 22 1HB PHE 22 -10.668 -1.218 2.695
137 HB3 PHE 22 2HB PHE 22 -10.818 -1.296 4.447
138 HD1 PHE 22 HD1 PHE 22 -8.477 -1.991 1.654
139 HD2 PHE 22 HD2 PHE 22 -8.933 -1.161 5.804
140 HE1 PHE 22 HE1 PHE 22 -6.039 -1.737 1.868
141 HE2 PHE 22 HE2 PHE 22 -6.496 -0.906 6.024
142 HZ PHE 22 HZ PHE 22 -5.046 -1.193 4.054
143 H THR 23 H THR 23 -12.720 -2.367 4.915
144 HA THR 23 HA THR 23 -14.820 -3.531 3.245
145 HB THR 23 HB THR 23 -16.344 -2.984 5.105
146 HG1 THR 23 HG1 THR 23 -14.162 -2.321 6.742
147 HG21 THR 23 3HG2 THR 23 -14.644 -4.321 6.848
148 HG22 THR 23 1HG2 THR 23 -14.083 -4.795 5.246
149 HG23 THR 23 2HG2 THR 23 -15.766 -5.058 5.705
150 H GLN 24 H GLN 24 -13.866 -0.415 4.651
151 HA GLN 24 HA GLN 24 -15.703 0.911 2.769
152 HB2 GLN 24 1HB GLN 24 -14.673 1.790 5.465
153 HB3 GLN 24 2HB GLN 24 -15.497 2.876 4.355
154 HG2 GLN 24 1HG GLN 24 -16.697 0.325 5.397
155 HG3 GLN 24 2HG GLN 24 -16.934 1.904 6.143
156 HE21 GLN 24 1HE2 GLN 24 -18.837 2.705 5.661
157 HE22 GLN 24 2HE2 GLN 24 -19.643 2.587 4.137
158 H LYS 25 H LYS 25 -14.901 2.278 1.290
159 HA LYS 25 HA LYS 25 -12.245 2.295 0.552
160 HB2 LYS 25 1HB LYS 25 -14.188 3.045 -0.844
161 HB3 LYS 25 2HB LYS 25 -14.193 4.553 0.061
162 HG2 LYS 25 1HG LYS 25 -12.004 5.113 -0.752
163 HG3 LYS 25 2HG LYS 25 -11.852 3.540 -1.538
164 HD2 LYS 25 1HD LYS 25 -13.681 4.082 -3.038
165 HD3 LYS 25 2HD LYS 25 -13.928 5.623 -2.214
166 HE2 LYS 25 1HE LYS 25 -12.669 6.281 -4.021
167 HE3 LYS 25 2HE LYS 25 -11.413 6.008 -2.815
168 HZ1 LYS 25 3HZ LYS 25 -11.679 4.805 -5.316
169 HZ2 LYS 25 1HZ LYS 25 -11.923 3.596 -4.157
170 HZ3 LYS 25 2HZ LYS 25 -10.500 4.509 -4.139
171 H ALA 26 H ALA 26 -13.979 4.779 2.421
172 HA ALA 26 HA ALA 26 -12.134 6.699 2.795
173 HB1 ALA 26 3HB ALA 26 -13.910 5.476 4.899
174 HB2 ALA 26 1HB ALA 26 -13.023 6.986 5.111
175 HB3 ALA 26 2HB ALA 26 -14.264 6.860 3.864
176 H HIS 27 H HIS 27 -12.115 3.535 4.366
177 HA HIS 27 HA HIS 27 -9.877 4.075 6.041
178 HB2 HIS 27 1HB HIS 27 -11.254 1.542 5.168
179 HB3 HIS 27 2HB HIS 27 -9.809 1.508 6.175
180 HD1 HIS 27 HD1 HIS 27 -12.550 0.453 7.177
181 HD2 HIS 27 HD2 HIS 27 -11.073 4.268 7.900
182 HE1 HIS 27 HE1 HIS 27 -13.735 1.251 9.246
183 H LEU 28 H LEU 28 -10.266 2.478 2.902
184 HA LEU 28 HA LEU 28 -7.607 1.642 2.585
185 HB2 LEU 28 1HB LEU 28 -9.289 0.735 1.172
186 HB3 LEU 28 2HB LEU 28 -9.751 2.334 0.592
187 HG LEU 28 HG LEU 28 -7.349 2.406 -0.383
188 HD11 LEU 28 1HD1 LEU 28 -7.256 -0.351 -0.974
189 HD12 LEU 28 2HD1 LEU 28 -7.386 -0.198 0.778
190 HD13 LEU 28 3HD1 LEU 28 -6.080 0.616 -0.083
191 HD21 LEU 28 3HD2 LEU 28 -9.544 2.229 -1.613
192 HD22 LEU 28 1HD2 LEU 28 -9.295 0.483 -1.636
193 HD23 LEU 28 2HD2 LEU 28 -8.144 1.549 -2.442
194 H ALA 29 H ALA 29 -9.229 4.506 1.207
195 HA ALA 29 HA ALA 29 -7.063 5.694 -0.008
196 HB1 ALA 29 3HB ALA 29 -9.152 6.659 -0.422
197 HB2 ALA 29 1HB ALA 29 -9.496 6.870 1.296
198 HB3 ALA 29 2HB ALA 29 -8.285 7.882 0.507
199 H GLN 30 H GLN 30 -8.200 6.262 3.324
200 HA GLN 30 HA GLN 30 -6.193 8.039 4.089
201 HB2 GLN 30 1HB GLN 30 -8.380 7.240 5.306
202 HB3 GLN 30 2HB GLN 30 -7.300 6.070 6.052
203 HG2 GLN 30 1HG GLN 30 -7.152 7.720 7.591
204 HG3 GLN 30 2HG GLN 30 -5.861 8.242 6.509
205 HE21 GLN 30 1HE2 GLN 30 -6.549 9.775 4.775
206 HE22 GLN 30 2HE2 GLN 30 -7.689 10.999 5.205
207 H HIS 31 H HIS 31 -6.029 4.686 3.474
208 HA HIS 31 HA HIS 31 -3.623 4.295 5.068
209 HB2 HIS 31 1HB HIS 31 -4.826 2.344 5.190
210 HB3 HIS 31 2HB HIS 31 -5.491 2.526 3.569
211 HD1 HIS 31 HD1 HIS 31 -2.107 1.759 5.139
212 HD2 HIS 31 HD2 HIS 31 -4.377 0.830 1.786
213 HE1 HIS 31 HE1 HIS 31 -0.764 0.055 3.869
214 H GLN 32 H GLN 32 -4.579 4.055 1.644
215 HA GLN 32 HA GLN 32 -2.198 3.467 0.465
216 HB2 GLN 32 1HB GLN 32 -4.431 5.274 -0.414
217 HB3 GLN 32 2HB GLN 32 -3.017 5.030 -1.431
218 HG2 GLN 32 1HG GLN 32 -3.474 2.561 -1.279
219 HG3 GLN 32 2HG GLN 32 -5.011 2.976 -0.522
220 HE21 GLN 32 1HE2 GLN 32 -6.310 4.625 -1.791
221 HE22 GLN 32 2HE2 GLN 32 -6.388 4.387 -3.500
222 H LYS 33 H LYS 33 -3.034 6.376 2.116
223 HA LYS 33 HA LYS 33 -0.831 7.897 0.998
224 HB2 LYS 33 1HB LYS 33 -1.644 9.737 2.251
225 HB3 LYS 33 2HB LYS 33 -3.067 8.900 1.646
226 HG2 LYS 33 1HG LYS 33 -3.656 8.112 3.731
227 HG3 LYS 33 2HG LYS 33 -2.015 8.262 4.366
228 HD2 LYS 33 1HD LYS 33 -2.255 10.738 4.215
229 HD3 LYS 33 2HD LYS 33 -3.942 10.501 3.754
230 HE2 LYS 33 1HE LYS 33 -3.931 10.938 6.083
231 HE3 LYS 33 2HE LYS 33 -4.229 9.210 5.897
232 HZ1 LYS 33 3HZ LYS 33 -1.491 9.488 6.057
233 HZ2 LYS 33 1HZ LYS 33 -2.524 8.883 7.253
234 HZ3 LYS 33 2HZ LYS 33 -2.107 10.522 7.246
235 H THR 34 H THR 34 -1.599 6.092 3.893
236 HA THR 34 HA THR 34 0.457 7.023 5.560
237 HB THR 34 HB THR 34 -1.574 5.408 6.041
238 HG1 THR 34 HG1 THR 34 -0.596 5.899 7.865
239 HG21 THR 34 3HG2 THR 34 -0.353 3.655 4.538
240 HG22 THR 34 1HG2 THR 34 -1.152 3.133 6.020
241 HG23 THR 34 2HG2 THR 34 0.598 3.352 5.992
242 H HIS 35 H HIS 35 0.435 4.656 2.984
243 HA HIS 35 HA HIS 35 2.770 3.262 3.500
244 HB2 HIS 35 1HB HIS 35 1.246 3.952 1.040
245 HB3 HIS 35 2HB HIS 35 2.884 3.339 0.829
246 HD1 HIS 35 HD1 HIS 35 3.033 1.143 2.882
247 HD2 HIS 35 HD2 HIS 35 -0.336 1.816 0.547
248 HE1 HIS 35 HE1 HIS 35 1.788 -1.041 2.854
249 H THR 36 H THR 36 4.675 4.113 4.014
250 HA THR 36 HA THR 36 5.625 6.451 2.490
251 HB THR 36 HB THR 36 6.478 5.589 5.261
252 HG1 THR 36 HG1 THR 36 5.055 7.019 6.006
253 HG21 THR 36 3HG2 THR 36 8.067 7.176 5.207
254 HG22 THR 36 1HG2 THR 36 7.026 8.322 4.364
255 HG23 THR 36 2HG2 THR 36 7.892 7.084 3.454
256 H GLY 37 H GLY 37 7.489 6.303 1.376
257 HA2 GLY 37 1HA GLY 37 9.309 4.071 1.935
258 HA3 GLY 37 2HA GLY 37 8.639 4.211 0.316
259 H GLU 38 H GLU 38 8.914 6.502 -0.643
260 HA GLU 38 HA GLU 38 10.392 7.977 -1.555
261 HB2 GLU 38 1HB GLU 38 11.100 8.160 1.369
262 HB3 GLU 38 2HB GLU 38 11.837 9.196 0.155
263 HG2 GLU 38 1HG GLU 38 9.375 9.741 -0.482
264 HG3 GLU 38 2HG GLU 38 9.023 9.137 1.136
265 H LYS 39 H LYS 39 11.163 5.247 -1.669
266 HA LYS 39 HA LYS 39 13.942 5.573 -2.287
267 HB2 LYS 39 1HB LYS 39 14.761 3.759 -0.827
268 HB3 LYS 39 2HB LYS 39 14.171 5.138 0.092
269 HG2 LYS 39 1HG LYS 39 12.343 4.001 0.889
270 HG3 LYS 39 2HG LYS 39 12.324 2.867 -0.463
271 HD2 LYS 39 1HD LYS 39 13.061 1.643 1.428
272 HD3 LYS 39 2HD LYS 39 14.494 1.942 0.441
273 HE2 LYS 39 1HE LYS 39 15.101 2.369 2.699
274 HE3 LYS 39 2HE LYS 39 14.959 3.933 1.898
275 HZ1 LYS 39 3HZ LYS 39 13.886 4.124 3.975
276 HZ2 LYS 39 1HZ LYS 39 13.035 2.676 3.769
277 HZ3 LYS 39 2HZ LYS 39 12.648 4.026 2.826
278 HA PRO 40 HA PRO 40 12.931 2.491 -5.248
279 HB2 PRO 40 1HB PRO 40 15.381 1.420 -5.719
280 HB3 PRO 40 2HB PRO 40 14.908 3.025 -6.290
281 HG2 PRO 40 1HG PRO 40 16.530 2.270 -3.890
282 HG3 PRO 40 2HG PRO 40 16.803 3.574 -5.059
283 HD2 PRO 40 1HD PRO 40 15.694 4.007 -2.627
284 HD3 PRO 40 2HD PRO 40 15.262 4.965 -4.058
285 H SER 41 H SER 41 11.717 1.263 -3.579
286 HA SER 41 HA SER 41 13.128 -1.004 -2.412
287 HB2 SER 41 1HB SER 41 10.328 0.077 -2.108
288 HB3 SER 41 2HB SER 41 10.804 -1.484 -1.441
289 HG SER 41 HG SER 41 12.666 0.073 -0.633
290 H GLY 42 H GLY 42 13.620 -2.177 -4.305
291 HA2 GLY 42 1HA GLY 42 13.220 -3.963 -5.709
292 HA3 GLY 42 2HA GLY 42 11.577 -4.020 -5.088
293 HA PRO 43 HA PRO 43 12.042 -1.808 -9.368
294 HB2 PRO 43 1HB PRO 43 12.208 -3.886 -11.107
295 HB3 PRO 43 2HB PRO 43 13.630 -3.077 -10.438
296 HG2 PRO 43 1HG PRO 43 12.337 -5.642 -9.594
297 HG3 PRO 43 2HG PRO 43 14.060 -5.265 -9.779
298 HD2 PRO 43 1HD PRO 43 12.826 -5.298 -7.369
299 HD3 PRO 43 2HD PRO 43 14.176 -4.205 -7.735
300 H SER 44 H SER 44 10.186 -4.097 -7.793
301 HA SER 44 HA SER 44 8.187 -4.621 -9.739
302 HB2 SER 44 1HB SER 44 6.818 -5.351 -7.788
303 HB3 SER 44 2HB SER 44 8.426 -6.076 -7.810
304 HG SER 44 HG SER 44 8.300 -3.697 -6.451
305 H SER 45 H SER 45 7.909 -2.451 -10.593
306 HA SER 45 HA SER 45 5.876 -0.978 -9.079
307 HB2 SER 45 1HB SER 45 6.900 1.173 -9.754
308 HB3 SER 45 2HB SER 45 7.969 0.230 -8.716
309 HG SER 45 HG SER 45 9.235 -0.245 -10.430
310 H GLY 46 H GLY 46 4.102 -1.062 -10.286
311 HA2 GLY 46 1HA GLY 46 4.332 -1.210 -13.196
312 HA3 GLY 46 2HA GLY 46 2.880 -1.508 -12.253
Start of MODEL 8
1 H1 GLY 1 H GLY 1 -2.488 -18.476 -11.011
2 HA2 GLY 1 1HA GLY 1 -1.914 -17.745 -8.242
3 HA3 GLY 1 2HA GLY 1 -3.353 -18.569 -8.823
4 H SER 2 H SER 2 -2.249 -19.530 -6.586
5 HA SER 2 HA SER 2 -0.378 -21.651 -7.213
6 HB2 SER 2 1HB SER 2 -0.524 -20.246 -5.016
7 HB3 SER 2 2HB SER 2 -1.794 -21.389 -4.577
8 HG SER 2 HG SER 2 0.749 -21.742 -4.266
9 H SER 3 H SER 3 -0.955 -23.858 -6.110
10 HA SER 3 HA SER 3 -3.106 -24.958 -7.581
11 HB2 SER 3 1HB SER 3 -2.612 -27.034 -6.242
12 HB3 SER 3 2HB SER 3 -1.214 -26.351 -7.071
13 HG SER 3 HG SER 3 -0.921 -26.968 -4.796
14 H GLY 4 H GLY 4 -5.088 -24.139 -7.081
15 HA2 GLY 4 1HA GLY 4 -6.937 -25.014 -5.567
16 HA3 GLY 4 2HA GLY 4 -5.958 -24.347 -4.269
17 H SER 5 H SER 5 -8.659 -23.779 -5.884
18 HA SER 5 HA SER 5 -8.314 -20.853 -5.792
19 HB2 SER 5 1HB SER 5 -8.668 -21.917 -8.104
20 HB3 SER 5 2HB SER 5 -10.316 -22.241 -7.568
21 HG SER 5 HG SER 5 -9.144 -19.878 -8.322
22 H SER 6 H SER 6 -9.293 -20.133 -4.022
23 HA SER 6 HA SER 6 -11.813 -21.394 -3.180
24 HB2 SER 6 1HB SER 6 -11.374 -20.387 -0.968
25 HB3 SER 6 2HB SER 6 -10.046 -21.428 -1.483
26 HG SER 6 HG SER 6 -9.922 -18.709 -2.119
27 H GLY 7 H GLY 7 -10.323 -18.378 -4.119
28 HA2 GLY 7 1HA GLY 7 -11.191 -16.288 -4.521
29 HA3 GLY 7 2HA GLY 7 -12.625 -17.164 -5.034
30 H THR 8 H THR 8 -11.159 -16.843 -1.815
31 HA THR 8 HA THR 8 -13.767 -16.042 -0.771
32 HB THR 8 HB THR 8 -12.676 -17.834 0.435
33 HG1 THR 8 HG1 THR 8 -13.512 -15.588 1.524
34 HG21 THR 8 3HG2 THR 8 -10.381 -15.897 0.618
35 HG22 THR 8 1HG2 THR 8 -10.377 -17.544 -0.012
36 HG23 THR 8 2HG2 THR 8 -10.548 -17.263 1.721
37 H GLY 9 H GLY 9 -10.503 -14.826 -1.188
38 HA2 GLY 9 1HA GLY 9 -10.972 -12.455 0.394
39 HA3 GLY 9 2HA GLY 9 -9.544 -12.805 -0.569
40 H GLU 10 H GLU 10 -13.001 -12.051 -1.002
41 HA GLU 10 HA GLU 10 -12.243 -10.432 -3.343
42 HB2 GLU 10 1HB GLU 10 -14.501 -10.794 -4.195
43 HB3 GLU 10 2HB GLU 10 -13.695 -12.329 -3.901
44 HG2 GLU 10 1HG GLU 10 -14.895 -12.315 -1.644
45 HG3 GLU 10 2HG GLU 10 -15.897 -11.040 -2.334
46 H LYS 11 H LYS 11 -12.295 -8.325 -2.981
47 HA LYS 11 HA LYS 11 -14.510 -7.178 -1.463
48 HB2 LYS 11 1HB LYS 11 -11.618 -6.525 -0.866
49 HB3 LYS 11 2HB LYS 11 -13.023 -5.773 -0.122
50 HG2 LYS 11 1HG LYS 11 -12.475 -8.719 0.076
51 HG3 LYS 11 2HG LYS 11 -11.834 -7.546 1.229
52 HD2 LYS 11 1HD LYS 11 -14.766 -7.752 0.583
53 HD3 LYS 11 2HD LYS 11 -14.007 -8.695 1.867
54 HE2 LYS 11 1HE LYS 11 -13.630 -6.856 3.182
55 HE3 LYS 11 2HE LYS 11 -13.551 -5.755 1.807
56 HZ1 LYS 11 3HZ LYS 11 -15.827 -5.590 1.694
57 HZ2 LYS 11 1HZ LYS 11 -15.595 -5.711 3.366
58 HZ3 LYS 11 2HZ LYS 11 -16.098 -7.063 2.482
59 HA PRO 12 HA PRO 12 -14.426 -4.097 -4.591
60 HB2 PRO 12 1HB PRO 12 -15.408 -1.961 -3.233
61 HB3 PRO 12 2HB PRO 12 -16.410 -3.334 -3.718
62 HG2 PRO 12 1HG PRO 12 -15.165 -2.743 -1.060
63 HG3 PRO 12 2HG PRO 12 -16.793 -3.342 -1.424
64 HD2 PRO 12 1HD PRO 12 -14.791 -4.970 -0.603
65 HD3 PRO 12 2HD PRO 12 -16.067 -5.510 -1.713
66 H TYR 13 H TYR 13 -12.607 -3.732 -1.692
67 HA TYR 13 HA TYR 13 -10.868 -1.788 -3.045
68 HB2 TYR 13 1HB TYR 13 -11.512 -1.664 -0.097
69 HB3 TYR 13 2HB TYR 13 -10.575 -0.507 -1.036
70 HD1 TYR 13 HD1 TYR 13 -11.733 0.939 -2.710
71 HD2 TYR 13 HD2 TYR 13 -13.882 -1.537 0.003
72 HE1 TYR 13 HE1 TYR 13 -13.771 2.247 -3.140
73 HE2 TYR 13 HE2 TYR 13 -15.926 -0.236 -0.421
74 HH TYR 13 HH TYR 13 -15.919 2.750 -1.957
75 H GLU 14 H GLU 14 -8.923 -2.645 -3.285
76 HA GLU 14 HA GLU 14 -7.743 -4.170 -1.087
77 HB2 GLU 14 1HB GLU 14 -8.848 -5.635 -2.960
78 HB3 GLU 14 2HB GLU 14 -7.409 -5.209 -3.875
79 HG2 GLU 14 1HG GLU 14 -5.987 -6.236 -2.270
80 HG3 GLU 14 2HG GLU 14 -7.325 -6.463 -1.145
81 H CYS 15 H CYS 15 -5.826 -3.336 -0.635
82 HA CYS 15 HA CYS 15 -4.559 -1.398 -2.248
83 HB2 CYS 15 1HB CYS 15 -4.332 -1.581 0.236
84 HB3 CYS 15 2HB CYS 15 -3.326 -3.006 -0.003
85 H LYS 16 H LYS 16 -2.279 -1.555 -3.010
86 HA LYS 16 HA LYS 16 -1.862 -4.137 -4.358
87 HB2 LYS 16 1HB LYS 16 -2.193 -1.850 -5.615
88 HB3 LYS 16 2HB LYS 16 -0.497 -1.616 -5.216
89 HG2 LYS 16 1HG LYS 16 0.179 -3.443 -6.508
90 HG3 LYS 16 2HG LYS 16 -1.457 -4.101 -6.591
91 HD2 LYS 16 1HD LYS 16 -0.968 -1.390 -7.716
92 HD3 LYS 16 2HD LYS 16 -0.381 -2.787 -8.621
93 HE2 LYS 16 1HE LYS 16 -2.632 -3.743 -8.602
94 HE3 LYS 16 2HE LYS 16 -3.218 -2.354 -7.687
95 HZ1 LYS 16 3HZ LYS 16 -3.509 -1.258 -9.572
96 HZ2 LYS 16 1HZ LYS 16 -3.012 -2.615 -10.450
97 HZ3 LYS 16 2HZ LYS 16 -1.880 -1.447 -9.988
98 H VAL 17 H VAL 17 -0.363 -1.685 -2.366
99 HA VAL 17 HA VAL 17 2.293 -2.662 -2.516
100 HB VAL 17 HB VAL 17 0.969 -1.043 -0.336
101 HG11 VAL 17 1HG1 VAL 17 3.307 -0.371 0.211
102 HG12 VAL 17 2HG1 VAL 17 2.947 -2.066 0.546
103 HG13 VAL 17 3HG1 VAL 17 3.873 -1.627 -0.890
104 HG21 VAL 17 3HG2 VAL 17 1.126 0.720 -1.680
105 HG22 VAL 17 1HG2 VAL 17 2.834 0.393 -1.974
106 HG23 VAL 17 2HG2 VAL 17 1.604 -0.363 -2.986
107 H CYS 18 H CYS 18 -0.050 -2.884 0.169
108 HA CYS 18 HA CYS 18 1.368 -5.280 1.107
109 HB2 CYS 18 1HB CYS 18 0.182 -4.881 3.254
110 HB3 CYS 18 2HB CYS 18 1.209 -3.533 2.777
111 H SER 19 H SER 19 -0.715 -5.038 -1.076
112 HA SER 19 HA SER 19 -2.757 -5.953 -1.677
113 HB2 SER 19 1HB SER 19 -2.656 -8.433 -1.511
114 HB3 SER 19 2HB SER 19 -1.152 -7.729 -2.106
115 HG SER 19 HG SER 19 -0.771 -9.306 -0.499
116 H LYS 20 H LYS 20 -2.974 -4.667 0.849
117 HA LYS 20 HA LYS 20 -4.362 -6.401 2.671
118 HB2 LYS 20 1HB LYS 20 -3.095 -4.440 3.458
119 HB3 LYS 20 2HB LYS 20 -4.202 -3.382 2.593
120 HG2 LYS 20 1HG LYS 20 -6.020 -4.015 4.018
121 HG3 LYS 20 2HG LYS 20 -5.032 -5.251 4.801
122 HD2 LYS 20 1HD LYS 20 -4.044 -2.447 4.826
123 HD3 LYS 20 2HD LYS 20 -5.398 -2.857 5.881
124 HE2 LYS 20 1HE LYS 20 -3.671 -3.340 7.288
125 HE3 LYS 20 2HE LYS 20 -3.832 -4.902 6.487
126 HZ1 LYS 20 3HZ LYS 20 -1.926 -2.782 5.660
127 HZ2 LYS 20 1HZ LYS 20 -2.030 -4.349 5.030
128 HZ3 LYS 20 2HZ LYS 20 -1.520 -4.110 6.625
129 H ALA 21 H ALA 21 -6.603 -5.933 3.388
130 HA ALA 21 HA ALA 21 -8.305 -5.044 1.153
131 HB1 ALA 21 3HB ALA 21 -8.406 -7.559 2.732
132 HB2 ALA 21 1HB ALA 21 -9.930 -6.832 2.222
133 HB3 ALA 21 2HB ALA 21 -8.722 -7.283 1.019
134 H PHE 22 H PHE 22 -9.983 -3.732 1.652
135 HA PHE 22 HA PHE 22 -10.514 -3.223 4.503
136 HB2 PHE 22 1HB PHE 22 -10.573 -1.085 2.374
137 HB3 PHE 22 2HB PHE 22 -10.641 -0.873 4.120
138 HD1 PHE 22 HD1 PHE 22 -8.478 -1.581 1.256
139 HD2 PHE 22 HD2 PHE 22 -8.647 -0.966 5.465
140 HE1 PHE 22 HE1 PHE 22 -6.034 -1.303 1.311
141 HE2 PHE 22 HE2 PHE 22 -6.204 -0.686 5.525
142 HZ PHE 22 HZ PHE 22 -4.894 -0.853 3.447
143 H THR 23 H THR 23 -12.636 -2.641 5.053
144 HA THR 23 HA THR 23 -14.648 -3.793 3.365
145 HB THR 23 HB THR 23 -14.835 -4.063 5.769
146 HG1 THR 23 HG1 THR 23 -16.791 -3.917 4.550
147 HG21 THR 23 3HG2 THR 23 -14.756 -2.392 7.300
148 HG22 THR 23 1HG2 THR 23 -15.601 -1.249 6.257
149 HG23 THR 23 2HG2 THR 23 -13.881 -1.558 6.016
150 H GLN 24 H GLN 24 -13.715 -0.532 4.326
151 HA GLN 24 HA GLN 24 -15.605 0.516 2.324
152 HB2 GLN 24 1HB GLN 24 -14.914 1.550 5.057
153 HB3 GLN 24 2HB GLN 24 -15.503 2.641 3.810
154 HG2 GLN 24 1HG GLN 24 -17.408 0.840 3.604
155 HG3 GLN 24 2HG GLN 24 -16.917 0.466 5.255
156 HE21 GLN 24 1HE2 GLN 24 -17.548 1.768 6.872
157 HE22 GLN 24 2HE2 GLN 24 -18.466 3.217 6.666
158 H LYS 25 H LYS 25 -14.950 2.476 1.246
159 HA LYS 25 HA LYS 25 -12.255 2.411 0.396
160 HB2 LYS 25 1HB LYS 25 -12.808 4.273 -1.001
161 HB3 LYS 25 2HB LYS 25 -14.201 3.199 -0.973
162 HG2 LYS 25 1HG LYS 25 -15.264 5.180 -0.683
163 HG3 LYS 25 2HG LYS 25 -14.930 4.797 1.008
164 HD2 LYS 25 1HD LYS 25 -14.233 7.006 0.825
165 HD3 LYS 25 2HD LYS 25 -12.730 6.101 0.627
166 HE2 LYS 25 1HE LYS 25 -13.111 6.246 -1.861
167 HE3 LYS 25 2HE LYS 25 -14.417 7.379 -1.516
168 HZ1 LYS 25 3HZ LYS 25 -12.587 8.727 -1.908
169 HZ2 LYS 25 1HZ LYS 25 -11.519 7.718 -1.069
170 HZ3 LYS 25 2HZ LYS 25 -12.642 8.653 -0.219
171 H ALA 26 H ALA 26 -14.017 4.482 2.643
172 HA ALA 26 HA ALA 26 -12.283 6.540 3.075
173 HB1 ALA 26 3HB ALA 26 -13.092 6.554 5.432
174 HB2 ALA 26 1HB ALA 26 -14.377 6.454 4.228
175 HB3 ALA 26 2HB ALA 26 -13.887 5.011 5.116
176 H HIS 27 H HIS 27 -12.029 3.254 4.356
177 HA HIS 27 HA HIS 27 -9.758 3.759 5.987
178 HB2 HIS 27 1HB HIS 27 -11.011 1.246 4.898
179 HB3 HIS 27 2HB HIS 27 -9.527 1.201 5.846
180 HD1 HIS 27 HD1 HIS 27 -12.886 0.580 6.350
181 HD2 HIS 27 HD2 HIS 27 -10.153 2.971 8.370
182 HE1 HIS 27 HE1 HIS 27 -13.847 0.903 8.651
183 H LEU 28 H LEU 28 -10.149 2.374 2.740
184 HA LEU 28 HA LEU 28 -7.427 1.841 2.278
185 HB2 LEU 28 1HB LEU 28 -9.003 0.797 0.873
186 HB3 LEU 28 2HB LEU 28 -9.758 2.332 0.449
187 HG LEU 28 HG LEU 28 -7.459 2.853 -0.655
188 HD11 LEU 28 1HD1 LEU 28 -7.251 -0.012 0.009
189 HD12 LEU 28 2HD1 LEU 28 -5.989 1.197 -0.226
190 HD13 LEU 28 3HD1 LEU 28 -6.763 0.448 -1.622
191 HD21 LEU 28 3HD2 LEU 28 -9.612 2.557 -1.824
192 HD22 LEU 28 1HD2 LEU 28 -9.320 0.819 -1.877
193 HD23 LEU 28 2HD2 LEU 28 -8.246 1.920 -2.741
194 H ALA 29 H ALA 29 -9.407 4.526 1.006
195 HA ALA 29 HA ALA 29 -7.521 6.025 -0.241
196 HB1 ALA 29 3HB ALA 29 -9.206 7.459 -0.410
197 HB2 ALA 29 1HB ALA 29 -10.117 6.467 0.727
198 HB3 ALA 29 2HB ALA 29 -9.137 7.810 1.317
199 H GLN 30 H GLN 30 -8.329 6.324 3.222
200 HA GLN 30 HA GLN 30 -6.286 8.168 3.820
201 HB2 GLN 30 1HB GLN 30 -8.271 7.756 5.251
202 HB3 GLN 30 2HB GLN 30 -7.606 6.186 5.682
203 HG2 GLN 30 1HG GLN 30 -7.193 7.805 7.431
204 HG3 GLN 30 2HG GLN 30 -5.677 7.277 6.702
205 HE21 GLN 30 1HE2 GLN 30 -4.552 9.093 7.325
206 HE22 GLN 30 2HE2 GLN 30 -4.822 10.648 6.623
207 H HIS 31 H HIS 31 -6.410 4.638 3.977
208 HA HIS 31 HA HIS 31 -3.990 4.160 5.261
209 HB2 HIS 31 1HB HIS 31 -5.252 2.243 5.008
210 HB3 HIS 31 2HB HIS 31 -5.674 2.613 3.339
211 HD1 HIS 31 HD1 HIS 31 -2.572 1.595 5.298
212 HD2 HIS 31 HD2 HIS 31 -4.297 1.130 1.547
213 HE1 HIS 31 HE1 HIS 31 -1.055 0.025 4.051
214 H GLN 32 H GLN 32 -4.570 4.102 1.738
215 HA GLN 32 HA GLN 32 -2.119 3.725 0.729
216 HB2 GLN 32 1HB GLN 32 -4.205 5.716 -0.132
217 HB3 GLN 32 2HB GLN 32 -2.726 5.472 -1.052
218 HG2 GLN 32 1HG GLN 32 -3.409 2.974 -1.006
219 HG3 GLN 32 2HG GLN 32 -5.008 3.601 -0.612
220 HE21 GLN 32 1HE2 GLN 32 -6.123 4.824 -2.138
221 HE22 GLN 32 2HE2 GLN 32 -5.684 4.825 -3.809
222 H LYS 33 H LYS 33 -3.201 6.650 2.337
223 HA LYS 33 HA LYS 33 -1.281 8.479 1.698
224 HB2 LYS 33 1HB LYS 33 -2.346 7.953 4.480
225 HB3 LYS 33 2HB LYS 33 -1.598 9.446 3.930
226 HG2 LYS 33 1HG LYS 33 -3.986 8.418 2.482
227 HG3 LYS 33 2HG LYS 33 -4.200 9.204 4.047
228 HD2 LYS 33 1HD LYS 33 -3.088 11.196 3.237
229 HD3 LYS 33 2HD LYS 33 -2.742 10.409 1.696
230 HE2 LYS 33 1HE LYS 33 -4.614 11.690 1.212
231 HE3 LYS 33 2HE LYS 33 -5.302 10.101 1.544
232 HZ1 LYS 33 3HZ LYS 33 -5.077 12.196 3.624
233 HZ2 LYS 33 1HZ LYS 33 -6.014 10.788 3.658
234 HZ3 LYS 33 2HZ LYS 33 -6.434 12.057 2.623
235 H THR 34 H THR 34 -1.012 6.024 4.266
236 HA THR 34 HA THR 34 1.572 6.635 5.105
237 HB THR 34 HB THR 34 0.104 5.107 6.344
238 HG1 THR 34 HG1 THR 34 2.491 3.774 5.541
239 HG21 THR 34 3HG2 THR 34 -0.882 3.353 5.388
240 HG22 THR 34 1HG2 THR 34 0.680 2.675 4.932
241 HG23 THR 34 2HG2 THR 34 -0.136 3.810 3.857
242 H HIS 35 H HIS 35 0.453 4.802 2.348
243 HA HIS 35 HA HIS 35 3.001 3.645 1.733
244 HB2 HIS 35 1HB HIS 35 0.368 3.842 0.310
245 HB3 HIS 35 2HB HIS 35 1.798 3.290 -0.557
246 HD1 HIS 35 HD1 HIS 35 3.072 1.519 1.605
247 HD2 HIS 35 HD2 HIS 35 -0.976 1.505 0.672
248 HE1 HIS 35 HE1 HIS 35 2.218 -0.723 2.356
249 H THR 36 H THR 36 4.675 4.803 1.065
250 HA THR 36 HA THR 36 4.605 7.437 0.169
251 HB THR 36 HB THR 36 6.919 7.005 -0.711
252 HG1 THR 36 HG1 THR 36 7.611 4.763 0.162
253 HG21 THR 36 3HG2 THR 36 7.255 5.794 1.862
254 HG22 THR 36 1HG2 THR 36 5.966 6.994 1.944
255 HG23 THR 36 2HG2 THR 36 7.568 7.458 1.371
256 H GLY 37 H GLY 37 5.579 8.110 -2.032
257 HA2 GLY 37 1HA GLY 37 5.217 6.558 -4.336
258 HA3 GLY 37 2HA GLY 37 3.726 7.442 -4.044
259 H GLU 38 H GLU 38 4.999 9.775 -2.923
260 HA GLU 38 HA GLU 38 5.198 11.448 -5.039
261 HB2 GLU 38 1HB GLU 38 5.364 11.930 -2.492
262 HB3 GLU 38 2HB GLU 38 7.099 11.806 -2.743
263 HG2 GLU 38 1HG GLU 38 7.053 13.620 -4.318
264 HG3 GLU 38 2HG GLU 38 5.294 13.692 -4.238
265 H LYS 39 H LYS 39 6.276 10.939 -6.857
266 HA LYS 39 HA LYS 39 9.156 11.062 -6.808
267 HB2 LYS 39 1HB LYS 39 7.755 8.555 -7.753
268 HB3 LYS 39 2HB LYS 39 9.451 8.920 -8.044
269 HG2 LYS 39 1HG LYS 39 9.836 8.958 -5.613
270 HG3 LYS 39 2HG LYS 39 8.146 8.516 -5.360
271 HD2 LYS 39 1HD LYS 39 9.779 6.813 -7.169
272 HD3 LYS 39 2HD LYS 39 10.075 6.698 -5.432
273 HE2 LYS 39 1HE LYS 39 8.456 5.045 -5.974
274 HE3 LYS 39 2HE LYS 39 7.607 6.343 -5.136
275 HZ1 LYS 39 3HZ LYS 39 6.418 6.849 -6.953
276 HZ2 LYS 39 1HZ LYS 39 6.806 5.279 -7.450
277 HZ3 LYS 39 2HZ LYS 39 7.705 6.593 -8.019
278 HA PRO 40 HA PRO 40 8.198 13.086 -10.619
279 HB2 PRO 40 1HB PRO 40 10.740 13.346 -11.536
280 HB3 PRO 40 2HB PRO 40 10.081 14.346 -10.236
281 HG2 PRO 40 1HG PRO 40 11.827 11.920 -10.061
282 HG3 PRO 40 2HG PRO 40 11.930 13.441 -9.154
283 HD2 PRO 40 1HD PRO 40 10.832 11.195 -8.113
284 HD3 PRO 40 2HD PRO 40 10.267 12.822 -7.683
285 H SER 41 H SER 41 10.581 10.439 -10.692
286 HA SER 41 HA SER 41 9.650 9.734 -13.387
287 HB2 SER 41 1HB SER 41 11.710 8.404 -13.562
288 HB3 SER 41 2HB SER 41 12.075 10.076 -13.137
289 HG SER 41 HG SER 41 11.951 9.138 -10.862
290 H GLY 42 H GLY 42 10.387 8.270 -10.230
291 HA2 GLY 42 1HA GLY 42 9.245 6.565 -9.144
292 HA3 GLY 42 2HA GLY 42 8.184 6.428 -10.539
293 HA PRO 43 HA PRO 43 11.130 2.785 -10.343
294 HB2 PRO 43 1HB PRO 43 9.207 0.871 -10.247
295 HB3 PRO 43 2HB PRO 43 9.873 1.637 -8.800
296 HG2 PRO 43 1HG PRO 43 7.320 2.223 -10.249
297 HG3 PRO 43 2HG PRO 43 7.615 2.106 -8.504
298 HD2 PRO 43 1HD PRO 43 7.438 4.479 -9.796
299 HD3 PRO 43 2HD PRO 43 8.482 4.238 -8.381
300 H SER 44 H SER 44 8.016 3.122 -12.028
301 HA SER 44 HA SER 44 9.339 2.172 -14.481
302 HB2 SER 44 1HB SER 44 7.749 0.480 -13.424
303 HB3 SER 44 2HB SER 44 6.447 1.598 -13.828
304 HG SER 44 HG SER 44 6.550 0.338 -15.578
305 H SER 45 H SER 45 8.740 3.170 -16.394
306 HA SER 45 HA SER 45 7.933 5.864 -16.215
307 HB2 SER 45 1HB SER 45 8.296 3.978 -18.538
308 HB3 SER 45 2HB SER 45 7.758 5.641 -18.771
309 HG SER 45 HG SER 45 10.234 4.666 -17.913
310 H GLY 46 H GLY 46 6.080 6.870 -17.268
311 HA2 GLY 46 1HA GLY 46 3.807 5.484 -18.135
312 HA3 GLY 46 2HA GLY 46 3.637 5.761 -16.408
Start of MODEL 9
1 H1 GLY 1 H GLY 1 -11.772 -39.770 -5.024
2 HA2 GLY 1 1HA GLY 1 -12.912 -38.821 -2.900
3 HA3 GLY 1 2HA GLY 1 -11.753 -37.786 -3.720
4 H SER 2 H SER 2 -13.090 -36.131 -2.569
5 HA SER 2 HA SER 2 -15.268 -35.267 -4.341
6 HB2 SER 2 1HB SER 2 -16.482 -34.414 -2.312
7 HB3 SER 2 2HB SER 2 -16.388 -36.172 -2.410
8 HG SER 2 HG SER 2 -15.287 -36.182 -0.625
9 H SER 3 H SER 3 -15.865 -32.892 -3.760
10 HA SER 3 HA SER 3 -13.692 -31.284 -2.761
11 HB2 SER 3 1HB SER 3 -13.160 -30.126 -4.788
12 HB3 SER 3 2HB SER 3 -13.040 -31.850 -5.141
13 HG SER 3 HG SER 3 -15.501 -31.272 -5.665
14 H GLY 4 H GLY 4 -14.269 -29.095 -2.443
15 HA2 GLY 4 1HA GLY 4 -16.523 -27.783 -3.347
16 HA3 GLY 4 2HA GLY 4 -17.047 -28.694 -1.939
17 H SER 5 H SER 5 -16.893 -25.793 -2.352
18 HA SER 5 HA SER 5 -15.424 -25.167 0.084
19 HB2 SER 5 1HB SER 5 -14.395 -23.147 -1.009
20 HB3 SER 5 2HB SER 5 -13.747 -24.687 -1.574
21 HG SER 5 HG SER 5 -15.630 -24.311 -3.213
22 H SER 6 H SER 6 -16.695 -24.008 1.358
23 HA SER 6 HA SER 6 -19.233 -23.112 0.667
24 HB2 SER 6 1HB SER 6 -17.385 -22.532 2.954
25 HB3 SER 6 2HB SER 6 -18.880 -21.609 2.794
26 HG SER 6 HG SER 6 -18.827 -23.732 4.034
27 H GLY 7 H GLY 7 -16.258 -21.192 1.089
28 HA2 GLY 7 1HA GLY 7 -15.607 -19.358 -0.222
29 HA3 GLY 7 2HA GLY 7 -17.219 -19.315 -0.921
30 H THR 8 H THR 8 -15.883 -17.018 -0.085
31 HA THR 8 HA THR 8 -17.737 -16.085 1.969
32 HB THR 8 HB THR 8 -15.638 -16.711 3.157
33 HG1 THR 8 HG1 THR 8 -15.351 -14.346 3.926
34 HG21 THR 8 3HG2 THR 8 -14.408 -15.486 0.956
35 HG22 THR 8 1HG2 THR 8 -13.623 -16.132 2.396
36 HG23 THR 8 2HG2 THR 8 -14.083 -14.431 2.331
37 H GLY 9 H GLY 9 -18.050 -13.801 1.979
38 HA2 GLY 9 1HA GLY 9 -18.080 -12.615 -0.562
39 HA3 GLY 9 2HA GLY 9 -18.341 -11.769 0.956
40 H GLU 10 H GLU 10 -16.691 -11.389 -1.675
41 HA GLU 10 HA GLU 10 -14.067 -10.894 -0.485
42 HB2 GLU 10 1HB GLU 10 -15.110 -11.097 -3.277
43 HB3 GLU 10 2HB GLU 10 -13.652 -10.157 -2.989
44 HG2 GLU 10 1HG GLU 10 -12.435 -12.002 -2.315
45 HG3 GLU 10 2HG GLU 10 -13.877 -12.940 -1.931
46 H LYS 11 H LYS 11 -13.088 -8.867 -0.459
47 HA LYS 11 HA LYS 11 -14.951 -6.644 -0.317
48 HB2 LYS 11 1HB LYS 11 -12.125 -7.106 0.553
49 HB3 LYS 11 2HB LYS 11 -12.713 -5.457 0.383
50 HG2 LYS 11 1HG LYS 11 -14.416 -5.821 2.017
51 HG3 LYS 11 2HG LYS 11 -14.056 -7.548 2.079
52 HD2 LYS 11 1HD LYS 11 -11.978 -5.485 2.742
53 HD3 LYS 11 2HD LYS 11 -13.129 -6.057 3.952
54 HE2 LYS 11 1HE LYS 11 -11.338 -7.866 2.338
55 HE3 LYS 11 2HE LYS 11 -10.932 -7.256 3.941
56 HZ1 LYS 11 3HZ LYS 11 -12.811 -8.384 4.861
57 HZ2 LYS 11 1HZ LYS 11 -11.924 -9.502 3.953
58 HZ3 LYS 11 2HZ LYS 11 -13.357 -8.855 3.331
59 HA PRO 12 HA PRO 12 -13.974 -5.183 -4.379
60 HB2 PRO 12 1HB PRO 12 -15.113 -2.730 -4.141
61 HB3 PRO 12 2HB PRO 12 -16.056 -4.210 -4.352
62 HG2 PRO 12 1HG PRO 12 -15.456 -2.687 -1.846
63 HG3 PRO 12 2HG PRO 12 -16.984 -3.417 -2.373
64 HD2 PRO 12 1HD PRO 12 -15.353 -4.599 -0.563
65 HD3 PRO 12 2HD PRO 12 -16.354 -5.529 -1.698
66 H TYR 13 H TYR 13 -13.102 -3.489 -1.443
67 HA TYR 13 HA TYR 13 -11.151 -1.859 -2.901
68 HB2 TYR 13 1HB TYR 13 -11.862 -1.692 0.030
69 HB3 TYR 13 2HB TYR 13 -10.989 -0.502 -0.930
70 HD1 TYR 13 HD1 TYR 13 -12.193 0.881 -2.583
71 HD2 TYR 13 HD2 TYR 13 -14.255 -1.795 0.004
72 HE1 TYR 13 HE1 TYR 13 -14.307 2.034 -3.086
73 HE2 TYR 13 HE2 TYR 13 -16.375 -0.650 -0.493
74 HH TYR 13 HH TYR 13 -17.387 0.805 -1.940
75 H GLU 14 H GLU 14 -9.162 -2.623 -3.090
76 HA GLU 14 HA GLU 14 -7.914 -3.962 -0.813
77 HB2 GLU 14 1HB GLU 14 -8.835 -5.746 -2.270
78 HB3 GLU 14 2HB GLU 14 -7.881 -5.119 -3.606
79 HG2 GLU 14 1HG GLU 14 -5.892 -5.854 -2.713
80 HG3 GLU 14 2HG GLU 14 -6.525 -5.898 -1.069
81 H CYS 15 H CYS 15 -5.712 -3.673 -0.667
82 HA CYS 15 HA CYS 15 -4.633 -1.519 -2.272
83 HB2 CYS 15 1HB CYS 15 -4.362 -2.006 0.319
84 HB3 CYS 15 2HB CYS 15 -2.995 -2.966 -0.237
85 H LYS 16 H LYS 16 -2.364 -1.685 -3.090
86 HA LYS 16 HA LYS 16 -1.965 -4.304 -4.375
87 HB2 LYS 16 1HB LYS 16 -1.503 -1.494 -5.292
88 HB3 LYS 16 2HB LYS 16 -0.509 -2.784 -5.956
89 HG2 LYS 16 1HG LYS 16 -3.497 -2.974 -5.962
90 HG3 LYS 16 2HG LYS 16 -2.627 -2.098 -7.223
91 HD2 LYS 16 1HD LYS 16 -1.803 -4.883 -6.520
92 HD3 LYS 16 2HD LYS 16 -3.218 -4.624 -7.543
93 HE2 LYS 16 1HE LYS 16 -0.667 -3.213 -8.182
94 HE3 LYS 16 2HE LYS 16 -0.839 -4.917 -8.601
95 HZ1 LYS 16 3HZ LYS 16 -2.637 -2.720 -9.474
96 HZ2 LYS 16 1HZ LYS 16 -2.841 -4.357 -9.851
97 HZ3 LYS 16 2HZ LYS 16 -1.497 -3.515 -10.438
98 H VAL 17 H VAL 17 -0.321 -1.613 -2.782
99 HA VAL 17 HA VAL 17 2.286 -2.719 -2.918
100 HB VAL 17 HB VAL 17 1.141 -0.680 -1.006
101 HG11 VAL 17 1HG1 VAL 17 3.478 -0.072 -0.552
102 HG12 VAL 17 2HG1 VAL 17 3.115 -1.724 -0.047
103 HG13 VAL 17 3HG1 VAL 17 4.014 -1.433 -1.537
104 HG21 VAL 17 3HG2 VAL 17 1.297 -0.294 -3.590
105 HG22 VAL 17 1HG2 VAL 17 1.808 0.967 -2.469
106 HG23 VAL 17 2HG2 VAL 17 3.011 -0.060 -3.249
107 H CYS 18 H CYS 18 -0.043 -2.524 -0.223
108 HA CYS 18 HA CYS 18 1.509 -4.500 1.259
109 HB2 CYS 18 1HB CYS 18 0.185 -3.921 3.157
110 HB3 CYS 18 2HB CYS 18 0.590 -2.412 2.346
111 H SER 19 H SER 19 -1.281 -4.289 -0.719
112 HA SER 19 HA SER 19 -2.785 -5.836 -1.442
113 HB2 SER 19 1HB SER 19 -0.890 -7.779 -0.100
114 HB3 SER 19 2HB SER 19 -2.210 -8.236 -1.176
115 HG SER 19 HG SER 19 0.011 -6.602 -1.854
116 H LYS 20 H LYS 20 -3.547 -4.479 0.760
117 HA LYS 20 HA LYS 20 -4.743 -6.510 2.526
118 HB2 LYS 20 1HB LYS 20 -3.225 -4.674 3.492
119 HB3 LYS 20 2HB LYS 20 -4.551 -3.571 3.150
120 HG2 LYS 20 1HG LYS 20 -6.010 -4.785 4.625
121 HG3 LYS 20 2HG LYS 20 -4.778 -6.022 4.883
122 HD2 LYS 20 1HD LYS 20 -4.265 -3.136 5.534
123 HD3 LYS 20 2HD LYS 20 -5.067 -4.211 6.682
124 HE2 LYS 20 1HE LYS 20 -3.069 -5.775 6.308
125 HE3 LYS 20 2HE LYS 20 -2.279 -4.378 5.578
126 HZ1 LYS 20 3HZ LYS 20 -3.344 -3.502 7.973
127 HZ2 LYS 20 1HZ LYS 20 -1.711 -3.758 7.612
128 HZ3 LYS 20 2HZ LYS 20 -2.624 -4.994 8.317
129 H ALA 21 H ALA 21 -6.891 -6.754 2.548
130 HA ALA 21 HA ALA 21 -8.486 -5.068 0.786
131 HB1 ALA 21 3HB ALA 21 -9.192 -7.618 2.235
132 HB2 ALA 21 1HB ALA 21 -10.231 -6.769 1.089
133 HB3 ALA 21 2HB ALA 21 -8.708 -7.474 0.545
134 H PHE 22 H PHE 22 -9.983 -3.640 1.447
135 HA PHE 22 HA PHE 22 -10.500 -3.457 4.342
136 HB2 PHE 22 1HB PHE 22 -10.486 -1.207 2.319
137 HB3 PHE 22 2HB PHE 22 -10.765 -1.044 4.050
138 HD1 PHE 22 HD1 PHE 22 -8.257 -1.768 1.466
139 HD2 PHE 22 HD2 PHE 22 -8.957 -1.055 5.603
140 HE1 PHE 22 HE1 PHE 22 -5.839 -1.478 1.822
141 HE2 PHE 22 HE2 PHE 22 -6.541 -0.763 5.966
142 HZ PHE 22 HZ PHE 22 -4.979 -0.973 4.073
143 H THR 23 H THR 23 -12.598 -2.599 4.963
144 HA THR 23 HA THR 23 -14.704 -3.778 3.399
145 HB THR 23 HB THR 23 -14.790 -3.942 5.830
146 HG1 THR 23 HG1 THR 23 -16.909 -2.192 5.263
147 HG21 THR 23 3HG2 THR 23 -15.489 -1.074 6.149
148 HG22 THR 23 1HG2 THR 23 -13.782 -1.477 5.964
149 HG23 THR 23 2HG2 THR 23 -14.718 -2.183 7.282
150 H GLN 24 H GLN 24 -13.701 -0.504 4.281
151 HA GLN 24 HA GLN 24 -15.606 0.530 2.285
152 HB2 GLN 24 1HB GLN 24 -14.718 1.724 4.907
153 HB3 GLN 24 2HB GLN 24 -15.499 2.677 3.653
154 HG2 GLN 24 1HG GLN 24 -16.752 0.192 4.769
155 HG3 GLN 24 2HG GLN 24 -16.957 1.771 5.527
156 HE21 GLN 24 1HE2 GLN 24 -18.886 -0.040 4.216
157 HE22 GLN 24 2HE2 GLN 24 -19.651 0.912 2.994
158 H LYS 25 H LYS 25 -14.934 2.575 1.255
159 HA LYS 25 HA LYS 25 -12.294 2.357 0.228
160 HB2 LYS 25 1HB LYS 25 -14.026 3.199 -1.202
161 HB3 LYS 25 2HB LYS 25 -14.414 4.486 -0.068
162 HG2 LYS 25 1HG LYS 25 -12.475 5.684 -0.585
163 HG3 LYS 25 2HG LYS 25 -11.713 4.290 -1.352
164 HD2 LYS 25 1HD LYS 25 -13.606 4.398 -3.055
165 HD3 LYS 25 2HD LYS 25 -13.971 5.988 -2.382
166 HE2 LYS 25 1HE LYS 25 -11.185 5.335 -3.243
167 HE3 LYS 25 2HE LYS 25 -12.395 5.772 -4.448
168 HZ1 LYS 25 3HZ LYS 25 -11.317 7.409 -2.241
169 HZ2 LYS 25 1HZ LYS 25 -12.812 7.779 -2.944
170 HZ3 LYS 25 2HZ LYS 25 -11.410 7.780 -3.890
171 H ALA 26 H ALA 26 -13.862 4.917 2.157
172 HA ALA 26 HA ALA 26 -11.895 6.682 2.584
173 HB1 ALA 26 3HB ALA 26 -13.169 5.818 5.100
174 HB2 ALA 26 1HB ALA 26 -13.075 7.418 4.362
175 HB3 ALA 26 2HB ALA 26 -14.261 6.247 3.782
176 H HIS 27 H HIS 27 -12.152 3.572 4.279
177 HA HIS 27 HA HIS 27 -9.951 3.852 5.967
178 HB2 HIS 27 1HB HIS 27 -11.195 1.401 4.718
179 HB3 HIS 27 2HB HIS 27 -9.899 1.314 5.907
180 HD1 HIS 27 HD1 HIS 27 -11.252 0.255 7.767
181 HD2 HIS 27 HD2 HIS 27 -12.942 3.763 6.319
182 HE1 HIS 27 HE1 HIS 27 -13.103 0.822 9.372
183 H LEU 28 H LEU 28 -10.131 2.502 2.686
184 HA LEU 28 HA LEU 28 -7.372 1.861 2.517
185 HB2 LEU 28 1HB LEU 28 -8.929 0.754 1.081
186 HB3 LEU 28 2HB LEU 28 -9.484 2.288 0.413
187 HG LEU 28 HG LEU 28 -7.080 2.534 -0.473
188 HD11 LEU 28 1HD1 LEU 28 -7.146 -0.420 0.125
189 HD12 LEU 28 2HD1 LEU 28 -6.038 0.773 0.804
190 HD13 LEU 28 3HD1 LEU 28 -5.963 0.377 -0.913
191 HD21 LEU 28 3HD2 LEU 28 -9.257 0.777 -1.471
192 HD22 LEU 28 1HD2 LEU 28 -7.712 0.749 -2.322
193 HD23 LEU 28 2HD2 LEU 28 -8.597 2.265 -2.152
194 H ALA 29 H ALA 29 -9.274 4.550 1.157
195 HA ALA 29 HA ALA 29 -7.286 5.946 -0.125
196 HB1 ALA 29 3HB ALA 29 -9.932 6.481 0.766
197 HB2 ALA 29 1HB ALA 29 -8.918 7.867 1.169
198 HB3 ALA 29 2HB ALA 29 -9.007 7.293 -0.497
199 H GLN 30 H GLN 30 -8.239 6.261 3.292
200 HA GLN 30 HA GLN 30 -6.251 8.176 3.930
201 HB2 GLN 30 1HB GLN 30 -8.285 7.862 5.278
202 HB3 GLN 30 2HB GLN 30 -7.725 6.263 5.749
203 HG2 GLN 30 1HG GLN 30 -7.137 7.519 7.573
204 HG3 GLN 30 2HG GLN 30 -5.645 7.539 6.633
205 HE21 GLN 30 1HE2 GLN 30 -8.688 9.369 6.572
206 HE22 GLN 30 2HE2 GLN 30 -7.947 10.930 6.593
207 H HIS 31 H HIS 31 -6.353 4.662 4.035
208 HA HIS 31 HA HIS 31 -3.995 4.240 5.508
209 HB2 HIS 31 1HB HIS 31 -5.276 2.323 5.314
210 HB3 HIS 31 2HB HIS 31 -5.616 2.596 3.607
211 HD1 HIS 31 HD1 HIS 31 -2.630 1.664 5.775
212 HD2 HIS 31 HD2 HIS 31 -4.155 1.022 1.964
213 HE1 HIS 31 HE1 HIS 31 -1.064 0.021 4.692
214 H GLN 32 H GLN 32 -4.491 4.075 1.977
215 HA GLN 32 HA GLN 32 -1.999 3.618 1.066
216 HB2 GLN 32 1HB GLN 32 -4.152 5.433 0.050
217 HB3 GLN 32 2HB GLN 32 -2.601 5.384 -0.777
218 HG2 GLN 32 1HG GLN 32 -2.963 2.825 -0.800
219 HG3 GLN 32 2HG GLN 32 -4.649 3.231 -0.478
220 HE21 GLN 32 1HE2 GLN 32 -5.884 3.486 -2.188
221 HE22 GLN 32 2HE2 GLN 32 -5.353 3.898 -3.779
222 H LYS 33 H LYS 33 -3.123 6.582 2.543
223 HA LYS 33 HA LYS 33 -1.278 8.447 1.859
224 HB2 LYS 33 1HB LYS 33 -2.193 7.904 4.690
225 HB3 LYS 33 2HB LYS 33 -1.545 9.423 4.085
226 HG2 LYS 33 1HG LYS 33 -3.934 8.291 2.734
227 HG3 LYS 33 2HG LYS 33 -4.138 9.012 4.332
228 HD2 LYS 33 1HD LYS 33 -2.606 10.502 2.250
229 HD3 LYS 33 2HD LYS 33 -4.368 10.469 2.160
230 HE2 LYS 33 1HE LYS 33 -2.911 11.217 4.679
231 HE3 LYS 33 2HE LYS 33 -3.286 12.404 3.431
232 HZ1 LYS 33 3HZ LYS 33 -5.381 10.678 4.599
233 HZ2 LYS 33 1HZ LYS 33 -5.563 12.135 3.759
234 HZ3 LYS 33 2HZ LYS 33 -4.932 12.137 5.328
235 H THR 34 H THR 34 -0.806 5.824 4.192
236 HA THR 34 HA THR 34 1.749 6.548 5.079
237 HB THR 34 HB THR 34 2.019 4.133 5.673
238 HG1 THR 34 HG1 THR 34 -0.287 3.978 4.079
239 HG21 THR 34 3HG2 THR 34 -0.735 4.849 6.528
240 HG22 THR 34 1HG2 THR 34 0.561 5.980 6.912
241 HG23 THR 34 2HG2 THR 34 0.644 4.315 7.489
242 H HIS 35 H HIS 35 0.778 4.344 2.459
243 HA HIS 35 HA HIS 35 3.333 3.571 1.648
244 HB2 HIS 35 1HB HIS 35 0.773 3.853 0.068
245 HB3 HIS 35 2HB HIS 35 2.236 3.115 -0.576
246 HD1 HIS 35 HD1 HIS 35 3.120 1.285 1.616
247 HD2 HIS 35 HD2 HIS 35 -0.881 1.791 0.617
248 HE1 HIS 35 HE1 HIS 35 1.953 -0.784 2.443
249 H THR 36 H THR 36 4.188 4.141 -0.637
250 HA THR 36 HA THR 36 5.539 5.752 -1.609
251 HB THR 36 HB THR 36 4.187 7.329 -2.983
252 HG1 THR 36 HG1 THR 36 2.078 6.226 -1.424
253 HG21 THR 36 3HG2 THR 36 2.936 5.568 -4.232
254 HG22 THR 36 1HG2 THR 36 3.287 4.448 -2.917
255 HG23 THR 36 2HG2 THR 36 4.606 5.131 -3.868
256 H GLY 37 H GLY 37 5.506 6.273 1.108
257 HA2 GLY 37 1HA GLY 37 4.928 9.121 1.421
258 HA3 GLY 37 2HA GLY 37 5.402 8.010 2.698
259 H GLU 38 H GLU 38 7.683 7.194 2.569
260 HA GLU 38 HA GLU 38 9.538 9.122 2.868
261 HB2 GLU 38 1HB GLU 38 9.890 6.342 1.759
262 HB3 GLU 38 2HB GLU 38 11.257 7.391 2.106
263 HG2 GLU 38 1HG GLU 38 11.128 6.183 4.040
264 HG3 GLU 38 2HG GLU 38 10.147 7.587 4.456
265 H LYS 39 H LYS 39 10.835 10.402 1.655
266 HA LYS 39 HA LYS 39 10.363 10.372 -1.248
267 HB2 LYS 39 1HB LYS 39 11.252 12.590 0.601
268 HB3 LYS 39 2HB LYS 39 11.216 12.737 -1.151
269 HG2 LYS 39 1HG LYS 39 8.716 11.973 -0.824
270 HG3 LYS 39 2HG LYS 39 8.974 12.631 0.793
271 HD2 LYS 39 1HD LYS 39 9.779 14.740 -0.278
272 HD3 LYS 39 2HD LYS 39 9.298 14.069 -1.838
273 HE2 LYS 39 1HE LYS 39 7.046 14.182 -1.338
274 HE3 LYS 39 2HE LYS 39 7.325 14.162 0.402
275 HZ1 LYS 39 3HZ LYS 39 7.586 16.416 -1.481
276 HZ2 LYS 39 1HZ LYS 39 8.409 16.431 -0.003
277 HZ3 LYS 39 2HZ LYS 39 6.720 16.339 -0.030
278 HA PRO 40 HA PRO 40 14.530 9.297 -2.117
279 HB2 PRO 40 1HB PRO 40 14.954 10.668 -4.422
280 HB3 PRO 40 2HB PRO 40 13.924 9.234 -4.333
281 HG2 PRO 40 1HG PRO 40 13.148 12.125 -4.340
282 HG3 PRO 40 2HG PRO 40 12.410 10.766 -5.207
283 HD2 PRO 40 1HD PRO 40 11.366 11.776 -2.922
284 HD3 PRO 40 2HD PRO 40 11.234 10.059 -3.355
285 H SER 41 H SER 41 16.230 10.001 -1.001
286 HA SER 41 HA SER 41 16.676 12.856 -0.647
287 HB2 SER 41 1HB SER 41 16.814 11.349 1.309
288 HB3 SER 41 2HB SER 41 18.157 10.498 0.546
289 HG SER 41 HG SER 41 19.397 12.338 0.714
290 H GLY 42 H GLY 42 17.069 12.075 -3.267
291 HA2 GLY 42 1HA GLY 42 18.873 13.099 -4.587
292 HA3 GLY 42 2HA GLY 42 20.006 12.292 -3.512
293 HA PRO 43 HA PRO 43 20.251 8.866 -6.228
294 HB2 PRO 43 1HB PRO 43 20.469 6.775 -4.510
295 HB3 PRO 43 2HB PRO 43 21.770 7.942 -4.773
296 HG2 PRO 43 1HG PRO 43 19.764 7.809 -2.556
297 HG3 PRO 43 2HG PRO 43 21.503 8.144 -2.472
298 HD2 PRO 43 1HD PRO 43 19.636 10.103 -2.369
299 HD3 PRO 43 2HD PRO 43 21.237 10.346 -3.097
300 H SER 44 H SER 44 18.247 8.802 -7.249
301 HA SER 44 HA SER 44 15.803 8.075 -6.253
302 HB2 SER 44 1HB SER 44 15.903 8.867 -8.491
303 HB3 SER 44 2HB SER 44 17.017 7.588 -8.974
304 HG SER 44 HG SER 44 15.318 6.483 -9.486
305 H SER 45 H SER 45 15.011 6.311 -5.334
306 HA SER 45 HA SER 45 16.152 3.696 -6.044
307 HB2 SER 45 1HB SER 45 16.974 4.694 -3.793
308 HB3 SER 45 2HB SER 45 15.354 4.316 -3.210
309 HG SER 45 HG SER 45 17.434 2.677 -3.505
310 H GLY 46 H GLY 46 14.725 1.870 -5.287
311 HA2 GLY 46 1HA GLY 46 11.926 2.619 -5.802
312 HA3 GLY 46 2HA GLY 46 12.627 1.033 -6.092
Start of MODEL 10
1 H1 GLY 1 H GLY 1 1.958 -16.940 17.831
2 HA2 GLY 1 1HA GLY 1 1.920 -18.108 15.613
3 HA3 GLY 1 2HA GLY 1 2.221 -19.203 16.955
4 H SER 2 H SER 2 -0.012 -19.846 18.059
5 HA SER 2 HA SER 2 -1.391 -21.370 16.080
6 HB2 SER 2 1HB SER 2 -1.013 -22.212 18.371
7 HB3 SER 2 2HB SER 2 -2.075 -20.952 19.001
8 HG SER 2 HG SER 2 -3.794 -21.898 17.952
9 H SER 3 H SER 3 -2.463 -18.801 18.309
10 HA SER 3 HA SER 3 -5.050 -18.471 17.645
11 HB2 SER 3 1HB SER 3 -3.074 -16.190 17.904
12 HB3 SER 3 2HB SER 3 -4.820 -16.080 18.127
13 HG SER 3 HG SER 3 -3.807 -16.294 20.128
14 H GLY 4 H GLY 4 -6.246 -17.955 15.917
15 HA2 GLY 4 1HA GLY 4 -6.378 -16.381 13.960
16 HA3 GLY 4 2HA GLY 4 -4.809 -17.030 13.507
17 H SER 5 H SER 5 -7.450 -17.019 12.117
18 HA SER 5 HA SER 5 -7.321 -19.704 11.129
19 HB2 SER 5 1HB SER 5 -9.540 -20.433 11.703
20 HB3 SER 5 2HB SER 5 -8.740 -19.941 13.196
21 HG SER 5 HG SER 5 -10.934 -18.874 11.943
22 H SER 6 H SER 6 -7.421 -19.372 9.018
23 HA SER 6 HA SER 6 -8.208 -17.108 7.697
24 HB2 SER 6 1HB SER 6 -8.000 -19.976 6.872
25 HB3 SER 6 2HB SER 6 -8.706 -18.817 5.745
26 HG SER 6 HG SER 6 -6.249 -19.247 5.878
27 H GLY 7 H GLY 7 -10.083 -16.094 7.475
28 HA2 GLY 7 1HA GLY 7 -12.561 -17.690 7.694
29 HA3 GLY 7 2HA GLY 7 -12.410 -16.035 8.267
30 H THR 8 H THR 8 -13.608 -14.752 7.038
31 HA THR 8 HA THR 8 -13.672 -15.243 4.136
32 HB THR 8 HB THR 8 -15.762 -13.910 4.116
33 HG1 THR 8 HG1 THR 8 -16.618 -13.148 5.981
34 HG21 THR 8 3HG2 THR 8 -16.695 -15.930 4.244
35 HG22 THR 8 1HG2 THR 8 -16.781 -15.734 5.994
36 HG23 THR 8 2HG2 THR 8 -15.381 -16.519 5.263
37 H GLY 9 H GLY 9 -13.347 -13.550 2.693
38 HA2 GLY 9 1HA GLY 9 -12.789 -10.884 3.694
39 HA3 GLY 9 2HA GLY 9 -11.394 -11.744 3.060
40 H GLU 10 H GLU 10 -14.566 -10.445 2.253
41 HA GLU 10 HA GLU 10 -13.704 -10.328 -0.562
42 HB2 GLU 10 1HB GLU 10 -16.158 -10.485 -1.138
43 HB3 GLU 10 2HB GLU 10 -15.435 -11.954 -0.498
44 HG2 GLU 10 1HG GLU 10 -16.597 -11.841 1.467
45 HG3 GLU 10 2HG GLU 10 -16.772 -10.089 1.391
46 H LYS 11 H LYS 11 -13.523 -8.331 -1.312
47 HA LYS 11 HA LYS 11 -15.438 -6.288 -0.765
48 HB2 LYS 11 1HB LYS 11 -13.900 -4.704 0.334
49 HB3 LYS 11 2HB LYS 11 -14.208 -6.124 1.325
50 HG2 LYS 11 1HG LYS 11 -11.811 -6.058 -0.450
51 HG3 LYS 11 2HG LYS 11 -11.794 -5.189 1.087
52 HD2 LYS 11 1HD LYS 11 -12.687 -8.041 1.003
53 HD3 LYS 11 2HD LYS 11 -10.964 -7.662 0.972
54 HE2 LYS 11 1HE LYS 11 -11.418 -6.213 3.020
55 HE3 LYS 11 2HE LYS 11 -12.982 -7.022 3.105
56 HZ1 LYS 11 3HZ LYS 11 -12.040 -8.776 4.045
57 HZ2 LYS 11 1HZ LYS 11 -10.584 -7.919 4.133
58 HZ3 LYS 11 2HZ LYS 11 -10.899 -8.917 2.805
59 HA PRO 12 HA PRO 12 -13.898 -4.980 -4.676
60 HB2 PRO 12 1HB PRO 12 -14.896 -2.455 -4.712
61 HB3 PRO 12 2HB PRO 12 -15.905 -3.889 -4.933
62 HG2 PRO 12 1HG PRO 12 -15.473 -2.239 -2.473
63 HG3 PRO 12 2HG PRO 12 -16.981 -2.913 -3.117
64 HD2 PRO 12 1HD PRO 12 -15.626 -4.063 -1.074
65 HD3 PRO 12 2HD PRO 12 -16.561 -5.008 -2.251
66 H TYR 13 H TYR 13 -13.012 -3.483 -1.718
67 HA TYR 13 HA TYR 13 -10.988 -1.817 -3.036
68 HB2 TYR 13 1HB TYR 13 -11.718 -1.848 -0.105
69 HB3 TYR 13 2HB TYR 13 -10.777 -0.631 -0.960
70 HD1 TYR 13 HD1 TYR 13 -11.977 0.712 -2.793
71 HD2 TYR 13 HD2 TYR 13 -14.029 -1.602 0.130
72 HE1 TYR 13 HE1 TYR 13 -14.026 2.004 -3.217
73 HE2 TYR 13 HE2 TYR 13 -16.084 -0.317 -0.288
74 HH TYR 13 HH TYR 13 -16.495 2.227 -1.269
75 H GLU 14 H GLU 14 -9.082 -2.747 -3.338
76 HA GLU 14 HA GLU 14 -7.869 -4.243 -1.142
77 HB2 GLU 14 1HB GLU 14 -8.813 -6.005 -2.465
78 HB3 GLU 14 2HB GLU 14 -8.207 -5.290 -3.952
79 HG2 GLU 14 1HG GLU 14 -6.238 -6.044 -1.865
80 HG3 GLU 14 2HG GLU 14 -7.007 -7.330 -2.794
81 H CYS 15 H CYS 15 -5.747 -3.836 -0.897
82 HA CYS 15 HA CYS 15 -4.537 -1.881 -2.664
83 HB2 CYS 15 1HB CYS 15 -4.425 -1.852 -0.101
84 HB3 CYS 15 2HB CYS 15 -3.239 -3.143 -0.255
85 H LYS 16 H LYS 16 -2.227 -2.165 -3.310
86 HA LYS 16 HA LYS 16 -1.736 -4.950 -4.141
87 HB2 LYS 16 1HB LYS 16 -2.271 -3.048 -5.878
88 HB3 LYS 16 2HB LYS 16 -0.584 -2.621 -5.626
89 HG2 LYS 16 1HG LYS 16 -0.442 -4.023 -7.435
90 HG3 LYS 16 2HG LYS 16 -0.158 -5.145 -6.102
91 HD2 LYS 16 1HD LYS 16 -1.708 -6.267 -7.427
92 HD3 LYS 16 2HD LYS 16 -2.707 -5.529 -6.173
93 HE2 LYS 16 1HE LYS 16 -3.506 -3.878 -7.619
94 HE3 LYS 16 2HE LYS 16 -2.200 -4.130 -8.776
95 HZ1 LYS 16 3HZ LYS 16 -4.262 -6.181 -8.208
96 HZ2 LYS 16 1HZ LYS 16 -3.157 -6.148 -9.489
97 HZ3 LYS 16 2HZ LYS 16 -4.425 -5.031 -9.438
98 H VAL 17 H VAL 17 -0.328 -1.978 -2.918
99 HA VAL 17 HA VAL 17 2.375 -2.770 -2.950
100 HB VAL 17 HB VAL 17 0.992 -0.845 -1.075
101 HG11 VAL 17 1HG1 VAL 17 3.287 0.123 -0.842
102 HG12 VAL 17 2HG1 VAL 17 3.088 -1.475 -0.118
103 HG13 VAL 17 3HG1 VAL 17 3.910 -1.304 -1.670
104 HG21 VAL 17 3HG2 VAL 17 2.684 0.166 -3.254
105 HG22 VAL 17 1HG2 VAL 17 1.192 -0.620 -3.771
106 HG23 VAL 17 2HG2 VAL 17 1.129 0.748 -2.659
107 H CYS 18 H CYS 18 -0.068 -2.914 -0.366
108 HA CYS 18 HA CYS 18 1.701 -4.753 1.102
109 HB2 CYS 18 1HB CYS 18 0.498 -4.124 3.118
110 HB3 CYS 18 2HB CYS 18 1.089 -2.678 2.306
111 H SER 19 H SER 19 -1.241 -4.490 -0.605
112 HA SER 19 HA SER 19 -2.743 -6.093 -1.237
113 HB2 SER 19 1HB SER 19 -0.716 -7.650 -0.966
114 HB3 SER 19 2HB SER 19 -1.396 -8.062 0.608
115 HG SER 19 HG SER 19 -3.108 -8.160 -1.586
116 H LYS 20 H LYS 20 -2.923 -4.368 1.170
117 HA LYS 20 HA LYS 20 -4.599 -5.950 2.963
118 HB2 LYS 20 1HB LYS 20 -2.892 -4.344 3.856
119 HB3 LYS 20 2HB LYS 20 -3.843 -3.031 3.173
120 HG2 LYS 20 1HG LYS 20 -5.482 -3.213 4.743
121 HG3 LYS 20 2HG LYS 20 -5.214 -4.941 4.984
122 HD2 LYS 20 1HD LYS 20 -4.433 -3.965 6.960
123 HD3 LYS 20 2HD LYS 20 -2.968 -4.246 6.016
124 HE2 LYS 20 1HE LYS 20 -2.662 -2.008 5.577
125 HE3 LYS 20 2HE LYS 20 -4.374 -1.629 5.764
126 HZ1 LYS 20 3HZ LYS 20 -2.753 -2.498 8.073
127 HZ2 LYS 20 1HZ LYS 20 -4.203 -1.626 8.063
128 HZ3 LYS 20 2HZ LYS 20 -2.764 -0.879 7.581
129 H ALA 21 H ALA 21 -6.699 -6.116 2.581
130 HA ALA 21 HA ALA 21 -8.021 -4.163 0.863
131 HB1 ALA 21 3HB ALA 21 -8.396 -6.974 1.482
132 HB2 ALA 21 1HB ALA 21 -9.906 -6.064 1.544
133 HB3 ALA 21 2HB ALA 21 -8.923 -6.044 0.079
134 H PHE 22 H PHE 22 -10.175 -3.364 1.453
135 HA PHE 22 HA PHE 22 -10.701 -3.234 4.327
136 HB2 PHE 22 1HB PHE 22 -10.645 -0.735 2.633
137 HB3 PHE 22 2HB PHE 22 -10.826 -0.848 4.381
138 HD1 PHE 22 HD1 PHE 22 -8.449 -1.356 1.594
139 HD2 PHE 22 HD2 PHE 22 -8.953 -0.884 5.794
140 HE1 PHE 22 HE1 PHE 22 -6.015 -1.114 1.856
141 HE2 PHE 22 HE2 PHE 22 -6.519 -0.641 6.062
142 HZ PHE 22 HZ PHE 22 -5.047 -0.755 4.092
143 H THR 23 H THR 23 -12.842 -2.952 4.866
144 HA THR 23 HA THR 23 -14.770 -3.753 2.966
145 HB THR 23 HB THR 23 -16.435 -3.355 4.703
146 HG1 THR 23 HG1 THR 23 -15.463 -1.375 5.499
147 HG21 THR 23 3HG2 THR 23 -15.242 -5.404 4.945
148 HG22 THR 23 1HG2 THR 23 -15.369 -4.695 6.554
149 HG23 THR 23 2HG2 THR 23 -13.853 -4.585 5.659
150 H GLN 24 H GLN 24 -13.892 -0.605 4.297
151 HA GLN 24 HA GLN 24 -15.787 0.654 2.426
152 HB2 GLN 24 1HB GLN 24 -14.691 1.583 5.074
153 HB3 GLN 24 2HB GLN 24 -15.472 2.684 3.947
154 HG2 GLN 24 1HG GLN 24 -17.541 1.578 4.141
155 HG3 GLN 24 2HG GLN 24 -16.810 0.193 4.950
156 HE21 GLN 24 1HE2 GLN 24 -16.935 0.133 7.077
157 HE22 GLN 24 2HE2 GLN 24 -17.275 1.473 8.112
158 H LYS 25 H LYS 25 -15.060 2.845 1.643
159 HA LYS 25 HA LYS 25 -12.418 2.571 0.507
160 HB2 LYS 25 1HB LYS 25 -13.008 4.382 -0.923
161 HB3 LYS 25 2HB LYS 25 -14.433 3.362 -0.782
162 HG2 LYS 25 1HG LYS 25 -14.089 5.725 1.014
163 HG3 LYS 25 2HG LYS 25 -14.686 5.928 -0.634
164 HD2 LYS 25 1HD LYS 25 -16.290 3.949 0.105
165 HD3 LYS 25 2HD LYS 25 -15.961 4.613 1.707
166 HE2 LYS 25 1HE LYS 25 -16.600 6.867 0.764
167 HE3 LYS 25 2HE LYS 25 -17.175 6.012 -0.667
168 HZ1 LYS 25 3HZ LYS 25 -19.090 5.943 0.467
169 HZ2 LYS 25 1HZ LYS 25 -18.353 6.204 1.967
170 HZ3 LYS 25 2HZ LYS 25 -18.382 4.651 1.297
171 H ALA 26 H ALA 26 -13.997 4.473 2.966
172 HA ALA 26 HA ALA 26 -12.195 6.582 3.228
173 HB1 ALA 26 3HB ALA 26 -13.995 5.203 5.193
174 HB2 ALA 26 1HB ALA 26 -12.963 6.551 5.671
175 HB3 ALA 26 2HB ALA 26 -14.191 6.779 4.427
176 H HIS 27 H HIS 27 -12.078 3.304 4.526
177 HA HIS 27 HA HIS 27 -9.814 3.717 6.189
178 HB2 HIS 27 1HB HIS 27 -10.768 1.117 4.975
179 HB3 HIS 27 2HB HIS 27 -9.739 1.305 6.393
180 HD1 HIS 27 HD1 HIS 27 -12.659 -0.078 6.181
181 HD2 HIS 27 HD2 HIS 27 -11.716 3.608 7.850
182 HE1 HIS 27 HE1 HIS 27 -14.507 0.413 7.815
183 H LEU 28 H LEU 28 -10.181 2.241 2.970
184 HA LEU 28 HA LEU 28 -7.465 1.697 2.544
185 HB2 LEU 28 1HB LEU 28 -9.029 0.638 1.140
186 HB3 LEU 28 2HB LEU 28 -9.770 2.169 0.679
187 HG LEU 28 HG LEU 28 -7.405 2.626 -0.376
188 HD11 LEU 28 1HD1 LEU 28 -7.425 -0.295 0.149
189 HD12 LEU 28 2HD1 LEU 28 -6.079 0.844 0.121
190 HD13 LEU 28 3HD1 LEU 28 -6.776 0.266 -1.392
191 HD21 LEU 28 3HD2 LEU 28 -8.309 1.215 -2.418
192 HD22 LEU 28 1HD2 LEU 28 -9.120 2.686 -1.881
193 HD23 LEU 28 2HD2 LEU 28 -9.747 1.109 -1.402
194 H ALA 29 H ALA 29 -9.406 4.388 1.226
195 HA ALA 29 HA ALA 29 -7.447 5.830 -0.018
196 HB1 ALA 29 3HB ALA 29 -9.071 7.730 1.300
197 HB2 ALA 29 1HB ALA 29 -9.194 7.150 -0.361
198 HB3 ALA 29 2HB ALA 29 -10.087 6.338 0.925
199 H GLN 30 H GLN 30 -8.323 5.998 3.423
200 HA GLN 30 HA GLN 30 -6.434 7.981 4.109
201 HB2 GLN 30 1HB GLN 30 -8.448 7.263 5.463
202 HB3 GLN 30 2HB GLN 30 -7.519 5.852 5.952
203 HG2 GLN 30 1HG GLN 30 -6.075 7.080 7.249
204 HG3 GLN 30 2HG GLN 30 -6.363 8.568 6.349
205 HE21 GLN 30 1HE2 GLN 30 -6.443 9.147 8.777
206 HE22 GLN 30 2HE2 GLN 30 -8.026 9.192 9.469
207 H HIS 31 H HIS 31 -6.269 4.479 3.930
208 HA HIS 31 HA HIS 31 -3.791 4.178 5.268
209 HB2 HIS 31 1HB HIS 31 -4.908 2.169 5.131
210 HB3 HIS 31 2HB HIS 31 -5.475 2.473 3.492
211 HD1 HIS 31 HD1 HIS 31 -2.167 1.727 5.224
212 HD2 HIS 31 HD2 HIS 31 -4.142 1.033 1.635
213 HE1 HIS 31 HE1 HIS 31 -0.642 0.233 3.895
214 H GLN 32 H GLN 32 -4.618 4.307 1.808
215 HA GLN 32 HA GLN 32 -2.229 3.932 0.607
216 HB2 GLN 32 1HB GLN 32 -4.454 5.842 -0.002
217 HB3 GLN 32 2HB GLN 32 -2.998 5.858 -0.988
218 HG2 GLN 32 1HG GLN 32 -3.327 3.521 -1.551
219 HG3 GLN 32 2HG GLN 32 -4.754 3.459 -0.519
220 HE21 GLN 32 1HE2 GLN 32 -3.719 3.774 -3.619
221 HE22 GLN 32 2HE2 GLN 32 -5.104 4.540 -4.312
222 H LYS 33 H LYS 33 -3.133 6.652 2.576
223 HA LYS 33 HA LYS 33 -1.268 8.555 1.830
224 HB2 LYS 33 1HB LYS 33 -2.390 7.889 4.553
225 HB3 LYS 33 2HB LYS 33 -1.389 9.302 4.245
226 HG2 LYS 33 1HG LYS 33 -3.020 10.202 2.735
227 HG3 LYS 33 2HG LYS 33 -3.987 8.729 2.837
228 HD2 LYS 33 1HD LYS 33 -4.392 9.149 5.207
229 HD3 LYS 33 2HD LYS 33 -3.395 10.603 5.130
230 HE2 LYS 33 1HE LYS 33 -4.984 11.449 3.361
231 HE3 LYS 33 2HE LYS 33 -6.031 10.091 3.768
232 HZ1 LYS 33 3HZ LYS 33 -6.017 12.536 4.981
233 HZ2 LYS 33 1HZ LYS 33 -5.200 11.545 6.082
234 HZ3 LYS 33 2HZ LYS 33 -6.759 11.135 5.573
235 H THR 34 H THR 34 -0.895 5.912 4.176
236 HA THR 34 HA THR 34 1.722 6.492 4.975
237 HB THR 34 HB THR 34 0.207 4.851 6.100
238 HG1 THR 34 HG1 THR 34 1.924 3.570 6.749
239 HG21 THR 34 3HG2 THR 34 1.103 2.603 4.467
240 HG22 THR 34 1HG2 THR 34 0.020 3.697 3.608
241 HG23 THR 34 2HG2 THR 34 -0.494 2.957 5.124
242 H HIS 35 H HIS 35 0.490 4.924 2.120
243 HA HIS 35 HA HIS 35 3.014 3.791 1.334
244 HB2 HIS 35 1HB HIS 35 0.303 4.026 0.087
245 HB3 HIS 35 2HB HIS 35 1.682 3.621 -0.930
246 HD1 HIS 35 HD1 HIS 35 3.166 1.730 1.021
247 HD2 HIS 35 HD2 HIS 35 -0.913 1.589 0.244
248 HE1 HIS 35 HE1 HIS 35 2.454 -0.614 1.590
249 H THR 36 H THR 36 1.046 6.560 0.292
250 HA THR 36 HA THR 36 3.256 7.508 -1.373
251 HB THR 36 HB THR 36 1.588 9.290 -2.059
252 HG1 THR 36 HG1 THR 36 0.254 8.664 -0.059
253 HG21 THR 36 3HG2 THR 36 0.747 7.957 -3.730
254 HG22 THR 36 1HG2 THR 36 0.385 6.624 -2.635
255 HG23 THR 36 2HG2 THR 36 2.049 6.925 -3.138
256 H GLY 37 H GLY 37 4.761 8.549 -0.200
257 HA2 GLY 37 1HA GLY 37 4.524 11.101 0.707
258 HA3 GLY 37 2HA GLY 37 4.072 10.137 2.105
259 H GLU 38 H GLU 38 5.630 9.173 3.310
260 HA GLU 38 HA GLU 38 8.352 9.991 2.803
261 HB2 GLU 38 1HB GLU 38 8.830 8.972 4.992
262 HB3 GLU 38 2HB GLU 38 7.484 10.101 5.073
263 HG2 GLU 38 1HG GLU 38 6.848 8.258 6.372
264 HG3 GLU 38 2HG GLU 38 5.959 8.100 4.859
265 H LYS 39 H LYS 39 10.137 8.358 3.149
266 HA LYS 39 HA LYS 39 10.473 6.624 1.168
267 HB2 LYS 39 1HB LYS 39 12.102 7.098 3.028
268 HB3 LYS 39 2HB LYS 39 11.268 5.881 3.985
269 HG2 LYS 39 1HG LYS 39 11.777 4.233 2.171
270 HG3 LYS 39 2HG LYS 39 12.788 5.472 1.423
271 HD2 LYS 39 1HD LYS 39 14.143 5.588 3.464
272 HD3 LYS 39 2HD LYS 39 13.137 4.338 4.199
273 HE2 LYS 39 1HE LYS 39 15.008 3.182 3.408
274 HE3 LYS 39 2HE LYS 39 13.775 2.901 2.180
275 HZ1 LYS 39 3HZ LYS 39 16.280 3.834 1.719
276 HZ2 LYS 39 1HZ LYS 39 15.349 5.246 1.676
277 HZ3 LYS 39 2HZ LYS 39 14.975 3.956 0.649
278 HA PRO 40 HA PRO 40 6.932 3.882 1.956
279 HB2 PRO 40 1HB PRO 40 6.743 3.049 -0.622
280 HB3 PRO 40 2HB PRO 40 6.042 4.568 -0.049
281 HG2 PRO 40 1HG PRO 40 8.617 4.100 -1.502
282 HG3 PRO 40 2HG PRO 40 7.404 5.368 -1.755
283 HD2 PRO 40 1HD PRO 40 9.699 5.799 -0.383
284 HD3 PRO 40 2HD PRO 40 8.183 6.638 0.004
285 H SER 41 H SER 41 7.941 2.292 3.153
286 HA SER 41 HA SER 41 9.914 0.556 1.954
287 HB2 SER 41 1HB SER 41 10.039 1.212 4.346
288 HB3 SER 41 2HB SER 41 8.540 0.331 4.643
289 HG SER 41 HG SER 41 9.905 -1.241 5.025
290 H GLY 42 H GLY 42 8.828 -0.471 0.264
291 HA2 GLY 42 1HA GLY 42 7.458 -2.861 0.973
292 HA3 GLY 42 2HA GLY 42 6.334 -1.673 0.331
293 HA PRO 43 HA PRO 43 8.515 -4.137 -3.082
294 HB2 PRO 43 1HB PRO 43 6.371 -5.588 -3.901
295 HB3 PRO 43 2HB PRO 43 7.493 -6.151 -2.657
296 HG2 PRO 43 1HG PRO 43 4.805 -4.870 -2.345
297 HG3 PRO 43 2HG PRO 43 5.492 -6.255 -1.476
298 HD2 PRO 43 1HD PRO 43 5.421 -3.763 -0.420
299 HD3 PRO 43 2HD PRO 43 6.721 -4.916 -0.058
300 H SER 44 H SER 44 8.698 -2.614 -4.616
301 HA SER 44 HA SER 44 6.724 -0.806 -5.407
302 HB2 SER 44 1HB SER 44 8.185 -0.468 -7.441
303 HB3 SER 44 2HB SER 44 9.019 -0.314 -5.895
304 HG SER 44 HG SER 44 9.444 -2.072 -7.913
305 H SER 45 H SER 45 7.836 -3.759 -7.064
306 HA SER 45 HA SER 45 5.215 -3.875 -8.405
307 HB2 SER 45 1HB SER 45 7.965 -4.191 -9.554
308 HB3 SER 45 2HB SER 45 6.621 -5.082 -10.267
309 HG SER 45 HG SER 45 5.631 -2.772 -10.100
310 H GLY 46 H GLY 46 4.257 -5.427 -7.186
311 HA2 GLY 46 1HA GLY 46 4.677 -8.104 -7.658
312 HA3 GLY 46 2HA GLY 46 5.642 -7.742 -6.234
Start of MODEL 11
1 H1 GLY 1 H GLY 1 -2.682 -19.414 1.568
2 HA2 GLY 1 1HA GLY 1 -2.164 -21.666 3.228
3 HA3 GLY 1 2HA GLY 1 -3.570 -20.783 3.804
4 H SER 2 H SER 2 -3.896 -23.356 3.029
5 HA SER 2 HA SER 2 -4.607 -23.623 0.280
6 HB2 SER 2 1HB SER 2 -5.268 -25.312 2.702
7 HB3 SER 2 2HB SER 2 -5.689 -25.757 1.048
8 HG SER 2 HG SER 2 -3.217 -25.248 0.828
9 H SER 3 H SER 3 -6.814 -24.164 -0.457
10 HA SER 3 HA SER 3 -8.715 -22.254 0.666
11 HB2 SER 3 1HB SER 3 -8.925 -23.854 -1.894
12 HB3 SER 3 2HB SER 3 -9.932 -22.487 -1.419
13 HG SER 3 HG SER 3 -8.102 -22.071 -2.908
14 H GLY 4 H GLY 4 -10.914 -22.822 1.079
15 HA2 GLY 4 1HA GLY 4 -12.477 -24.845 1.005
16 HA3 GLY 4 2HA GLY 4 -11.195 -25.638 1.908
17 H SER 5 H SER 5 -10.465 -23.567 3.630
18 HA SER 5 HA SER 5 -11.901 -23.903 5.852
19 HB2 SER 5 1HB SER 5 -9.930 -22.525 5.905
20 HB3 SER 5 2HB SER 5 -10.695 -21.299 4.895
21 HG SER 5 HG SER 5 -11.397 -20.447 6.669
22 H SER 6 H SER 6 -13.904 -23.577 6.557
23 HA SER 6 HA SER 6 -15.976 -22.671 4.950
24 HB2 SER 6 1HB SER 6 -16.405 -24.071 6.883
25 HB3 SER 6 2HB SER 6 -15.823 -22.810 7.970
26 HG SER 6 HG SER 6 -18.280 -23.153 6.969
27 H GLY 7 H GLY 7 -16.197 -20.700 4.120
28 HA2 GLY 7 1HA GLY 7 -17.018 -18.439 4.838
29 HA3 GLY 7 2HA GLY 7 -15.587 -18.388 5.857
30 H THR 8 H THR 8 -16.355 -16.516 3.797
31 HA THR 8 HA THR 8 -13.924 -16.683 2.169
32 HB THR 8 HB THR 8 -15.676 -17.501 0.698
33 HG1 THR 8 HG1 THR 8 -14.811 -14.840 0.169
34 HG21 THR 8 3HG2 THR 8 -17.421 -15.592 0.078
35 HG22 THR 8 1HG2 THR 8 -17.140 -15.142 1.760
36 HG23 THR 8 2HG2 THR 8 -17.731 -16.757 1.366
37 H GLY 9 H GLY 9 -12.965 -14.728 1.713
38 HA2 GLY 9 1HA GLY 9 -14.270 -12.362 2.912
39 HA3 GLY 9 2HA GLY 9 -12.539 -12.655 2.997
40 H GLU 10 H GLU 10 -15.105 -11.325 1.171
41 HA GLU 10 HA GLU 10 -13.218 -10.640 -0.987
42 HB2 GLU 10 1HB GLU 10 -15.012 -10.632 -2.559
43 HB3 GLU 10 2HB GLU 10 -15.117 -12.140 -1.663
44 HG2 GLU 10 1HG GLU 10 -17.317 -11.350 -1.859
45 HG3 GLU 10 2HG GLU 10 -16.831 -11.011 -0.199
46 H LYS 11 H LYS 11 -13.010 -8.533 -1.556
47 HA LYS 11 HA LYS 11 -14.876 -6.558 -0.501
48 HB2 LYS 11 1HB LYS 11 -11.946 -6.673 0.193
49 HB3 LYS 11 2HB LYS 11 -12.867 -5.177 0.283
50 HG2 LYS 11 1HG LYS 11 -14.099 -5.879 2.082
51 HG3 LYS 11 2HG LYS 11 -13.903 -7.589 1.688
52 HD2 LYS 11 1HD LYS 11 -11.488 -7.370 2.298
53 HD3 LYS 11 2HD LYS 11 -11.835 -5.733 2.862
54 HE2 LYS 11 1HE LYS 11 -13.648 -6.849 4.309
55 HE3 LYS 11 2HE LYS 11 -12.794 -8.352 3.966
56 HZ1 LYS 11 3HZ LYS 11 -11.881 -7.593 5.953
57 HZ2 LYS 11 1HZ LYS 11 -11.819 -5.983 5.437
58 HZ3 LYS 11 2HZ LYS 11 -10.745 -7.119 4.792
59 HA PRO 12 HA PRO 12 -14.144 -4.800 -4.479
60 HB2 PRO 12 1HB PRO 12 -15.198 -2.340 -4.022
61 HB3 PRO 12 2HB PRO 12 -16.192 -3.787 -4.234
62 HG2 PRO 12 1HG PRO 12 -15.357 -2.416 -1.707
63 HG3 PRO 12 2HG PRO 12 -16.940 -3.084 -2.147
64 HD2 PRO 12 1HD PRO 12 -15.201 -4.396 -0.540
65 HD3 PRO 12 2HD PRO 12 -16.311 -5.242 -1.637
66 H TYR 13 H TYR 13 -12.950 -3.357 -1.537
67 HA TYR 13 HA TYR 13 -11.044 -1.735 -3.083
68 HB2 TYR 13 1HB TYR 13 -11.674 -1.501 -0.137
69 HB3 TYR 13 2HB TYR 13 -10.762 -0.366 -1.127
70 HD1 TYR 13 HD1 TYR 13 -12.038 0.763 -3.072
71 HD2 TYR 13 HD2 TYR 13 -13.960 -1.192 0.181
72 HE1 TYR 13 HE1 TYR 13 -14.102 2.012 -3.550
73 HE2 TYR 13 HE2 TYR 13 -16.030 0.050 -0.288
74 HH TYR 13 HH TYR 13 -16.623 1.635 -3.116
75 H GLU 14 H GLU 14 -9.112 -2.621 -3.341
76 HA GLU 14 HA GLU 14 -7.900 -4.056 -1.087
77 HB2 GLU 14 1HB GLU 14 -8.888 -5.596 -2.898
78 HB3 GLU 14 2HB GLU 14 -7.572 -5.029 -3.915
79 HG2 GLU 14 1HG GLU 14 -5.946 -5.874 -2.329
80 HG3 GLU 14 2HG GLU 14 -7.242 -6.390 -1.251
81 H CYS 15 H CYS 15 -5.718 -3.769 -0.837
82 HA CYS 15 HA CYS 15 -4.559 -1.555 -2.301
83 HB2 CYS 15 1HB CYS 15 -4.401 -2.022 0.253
84 HB3 CYS 15 2HB CYS 15 -3.122 -3.146 -0.196
85 H LYS 16 H LYS 16 -2.257 -1.706 -3.025
86 HA LYS 16 HA LYS 16 -1.823 -4.271 -4.403
87 HB2 LYS 16 1HB LYS 16 -1.396 -1.434 -5.189
88 HB3 LYS 16 2HB LYS 16 -0.242 -2.619 -5.788
89 HG2 LYS 16 1HG LYS 16 -1.812 -2.528 -7.477
90 HG3 LYS 16 2HG LYS 16 -2.329 -3.934 -6.543
91 HD2 LYS 16 1HD LYS 16 -4.283 -2.671 -7.010
92 HD3 LYS 16 2HD LYS 16 -3.899 -2.395 -5.309
93 HE2 LYS 16 1HE LYS 16 -2.874 -0.266 -5.862
94 HE3 LYS 16 2HE LYS 16 -3.156 -0.551 -7.578
95 HZ1 LYS 16 3HZ LYS 16 -5.545 -0.765 -6.013
96 HZ2 LYS 16 1HZ LYS 16 -5.246 0.149 -7.405
97 HZ3 LYS 16 2HZ LYS 16 -4.829 0.763 -5.885
98 H VAL 17 H VAL 17 -0.343 -1.790 -2.423
99 HA VAL 17 HA VAL 17 2.312 -2.817 -2.559
100 HB VAL 17 HB VAL 17 1.089 -1.074 -0.416
101 HG11 VAL 17 1HG1 VAL 17 3.273 -0.510 0.236
102 HG12 VAL 17 2HG1 VAL 17 3.299 -2.263 0.037
103 HG13 VAL 17 3HG1 VAL 17 3.981 -1.223 -1.213
104 HG21 VAL 17 3HG2 VAL 17 1.421 -0.495 -3.119
105 HG22 VAL 17 1HG2 VAL 17 1.153 0.659 -1.812
106 HG23 VAL 17 2HG2 VAL 17 2.796 0.268 -2.322
107 H CYS 18 H CYS 18 -0.060 -2.835 0.111
108 HA CYS 18 HA CYS 18 1.333 -5.162 1.238
109 HB2 CYS 18 1HB CYS 18 0.156 -4.630 3.329
110 HB3 CYS 18 2HB CYS 18 1.082 -3.250 2.747
111 H SER 19 H SER 19 -0.798 -4.949 -0.983
112 HA SER 19 HA SER 19 -2.800 -5.936 -1.570
113 HB2 SER 19 1HB SER 19 -0.924 -7.698 -1.637
114 HB3 SER 19 2HB SER 19 -1.645 -8.337 -0.160
115 HG SER 19 HG SER 19 -2.736 -9.418 -1.652
116 H LYS 20 H LYS 20 -2.932 -4.607 1.003
117 HA LYS 20 HA LYS 20 -4.532 -6.342 2.692
118 HB2 LYS 20 1HB LYS 20 -2.895 -4.639 3.589
119 HB3 LYS 20 2HB LYS 20 -4.004 -3.389 3.039
120 HG2 LYS 20 1HG LYS 20 -5.742 -4.289 4.505
121 HG3 LYS 20 2HG LYS 20 -4.622 -5.534 5.062
122 HD2 LYS 20 1HD LYS 20 -3.117 -3.767 5.897
123 HD3 LYS 20 2HD LYS 20 -4.295 -2.552 5.395
124 HE2 LYS 20 1HE LYS 20 -4.801 -2.815 7.632
125 HE3 LYS 20 2HE LYS 20 -5.940 -3.922 6.869
126 HZ1 LYS 20 3HZ LYS 20 -3.693 -4.489 8.599
127 HZ2 LYS 20 1HZ LYS 20 -3.821 -5.511 7.256
128 HZ3 LYS 20 2HZ LYS 20 -5.112 -5.373 8.340
129 H ALA 21 H ALA 21 -6.660 -6.544 2.526
130 HA ALA 21 HA ALA 21 -8.136 -4.691 0.817
131 HB1 ALA 21 3HB ALA 21 -9.663 -6.360 0.457
132 HB2 ALA 21 1HB ALA 21 -8.213 -7.317 0.763
133 HB3 ALA 21 2HB ALA 21 -9.406 -7.090 2.042
134 H PHE 22 H PHE 22 -9.963 -3.570 1.483
135 HA PHE 22 HA PHE 22 -10.412 -3.475 4.393
136 HB2 PHE 22 1HB PHE 22 -10.505 -1.143 2.467
137 HB3 PHE 22 2HB PHE 22 -10.824 -1.067 4.197
138 HD1 PHE 22 HD1 PHE 22 -8.215 -1.671 1.661
139 HD2 PHE 22 HD2 PHE 22 -9.065 -0.915 5.763
140 HE1 PHE 22 HE1 PHE 22 -5.824 -1.261 2.078
141 HE2 PHE 22 HE2 PHE 22 -6.676 -0.503 6.186
142 HZ PHE 22 HZ PHE 22 -5.053 -0.676 4.342
143 H THR 23 H THR 23 -12.571 -2.304 4.870
144 HA THR 23 HA THR 23 -14.617 -3.678 3.310
145 HB THR 23 HB THR 23 -16.153 -2.965 5.151
146 HG1 THR 23 HG1 THR 23 -13.747 -2.094 6.409
147 HG21 THR 23 3HG2 THR 23 -14.863 -5.140 5.120
148 HG22 THR 23 1HG2 THR 23 -15.399 -4.593 6.708
149 HG23 THR 23 2HG2 THR 23 -13.717 -4.379 6.222
150 H GLN 24 H GLN 24 -13.756 -0.408 4.355
151 HA GLN 24 HA GLN 24 -15.601 0.637 2.311
152 HB2 GLN 24 1HB GLN 24 -15.065 1.626 5.098
153 HB3 GLN 24 2HB GLN 24 -15.679 2.707 3.854
154 HG2 GLN 24 1HG GLN 24 -17.453 0.769 3.560
155 HG3 GLN 24 2HG GLN 24 -17.010 0.448 5.235
156 HE21 GLN 24 1HE2 GLN 24 -18.920 1.076 6.134
157 HE22 GLN 24 2HE2 GLN 24 -19.486 2.708 6.131
158 H LYS 25 H LYS 25 -14.780 2.055 0.883
159 HA LYS 25 HA LYS 25 -12.131 2.294 0.324
160 HB2 LYS 25 1HB LYS 25 -13.988 3.052 -1.145
161 HB3 LYS 25 2HB LYS 25 -14.177 4.474 -0.128
162 HG2 LYS 25 1HG LYS 25 -12.008 5.278 -0.736
163 HG3 LYS 25 2HG LYS 25 -11.644 3.782 -1.597
164 HD2 LYS 25 1HD LYS 25 -12.246 5.184 -3.329
165 HD3 LYS 25 2HD LYS 25 -13.777 4.383 -2.973
166 HE2 LYS 25 1HE LYS 25 -13.141 6.902 -1.528
167 HE3 LYS 25 2HE LYS 25 -13.596 7.014 -3.227
168 HZ1 LYS 25 3HZ LYS 25 -15.384 7.062 -1.327
169 HZ2 LYS 25 1HZ LYS 25 -15.264 5.380 -1.464
170 HZ3 LYS 25 2HZ LYS 25 -15.702 6.308 -2.808
171 H ALA 26 H ALA 26 -14.035 4.595 2.259
172 HA ALA 26 HA ALA 26 -12.322 6.569 2.834
173 HB1 ALA 26 3HB ALA 26 -14.118 6.940 4.115
174 HB2 ALA 26 1HB ALA 26 -14.421 5.219 4.353
175 HB3 ALA 26 2HB ALA 26 -13.236 6.054 5.359
176 H HIS 27 H HIS 27 -12.154 3.320 4.231
177 HA HIS 27 HA HIS 27 -9.974 3.860 5.963
178 HB2 HIS 27 1HB HIS 27 -11.336 1.406 4.952
179 HB3 HIS 27 2HB HIS 27 -9.747 1.229 5.691
180 HD1 HIS 27 HD1 HIS 27 -12.708 0.356 6.789
181 HD2 HIS 27 HD2 HIS 27 -10.246 3.411 8.155
182 HE1 HIS 27 HE1 HIS 27 -13.417 0.780 9.164
183 H LEU 28 H LEU 28 -10.174 2.382 2.739
184 HA LEU 28 HA LEU 28 -7.459 1.804 2.421
185 HB2 LEU 28 1HB LEU 28 -9.091 0.885 0.927
186 HB3 LEU 28 2HB LEU 28 -9.578 2.493 0.395
187 HG LEU 28 HG LEU 28 -7.166 2.695 -0.492
188 HD11 LEU 28 1HD1 LEU 28 -7.322 -0.297 -0.556
189 HD12 LEU 28 2HD1 LEU 28 -6.516 0.555 0.761
190 HD13 LEU 28 3HD1 LEU 28 -5.945 0.751 -0.896
191 HD21 LEU 28 3HD2 LEU 28 -7.833 1.348 -2.551
192 HD22 LEU 28 1HD2 LEU 28 -8.923 2.639 -2.045
193 HD23 LEU 28 2HD2 LEU 28 -9.314 0.959 -1.674
194 H ALA 29 H ALA 29 -9.276 4.638 1.243
195 HA ALA 29 HA ALA 29 -7.186 6.058 0.133
196 HB1 ALA 29 3HB ALA 29 -9.857 6.690 1.132
197 HB2 ALA 29 1HB ALA 29 -8.732 8.047 1.200
198 HB3 ALA 29 2HB ALA 29 -9.035 7.228 -0.333
199 H GLN 30 H GLN 30 -8.300 6.080 3.505
200 HA GLN 30 HA GLN 30 -6.415 7.999 4.397
201 HB2 GLN 30 1HB GLN 30 -8.178 5.997 5.769
202 HB3 GLN 30 2HB GLN 30 -6.981 6.901 6.687
203 HG2 GLN 30 1HG GLN 30 -8.002 8.997 5.937
204 HG3 GLN 30 2HG GLN 30 -9.215 8.077 5.049
205 HE21 GLN 30 1HE2 GLN 30 -10.693 6.775 6.253
206 HE22 GLN 30 2HE2 GLN 30 -11.084 7.183 7.885
207 H HIS 31 H HIS 31 -6.193 4.655 3.686
208 HA HIS 31 HA HIS 31 -3.858 4.201 5.341
209 HB2 HIS 31 1HB HIS 31 -5.030 2.228 5.197
210 HB3 HIS 31 2HB HIS 31 -5.561 2.539 3.547
211 HD1 HIS 31 HD1 HIS 31 -2.211 1.861 5.239
212 HD2 HIS 31 HD2 HIS 31 -4.350 0.866 1.820
213 HE1 HIS 31 HE1 HIS 31 -0.744 0.260 3.971
214 H GLN 32 H GLN 32 -4.496 3.959 1.836
215 HA GLN 32 HA GLN 32 -2.047 3.629 0.806
216 HB2 GLN 32 1HB GLN 32 -4.162 5.561 -0.143
217 HB3 GLN 32 2HB GLN 32 -2.733 5.158 -1.086
218 HG2 GLN 32 1HG GLN 32 -3.484 2.726 -0.833
219 HG3 GLN 32 2HG GLN 32 -5.031 3.398 -0.321
220 HE21 GLN 32 1HE2 GLN 32 -3.205 2.401 -2.920
221 HE22 GLN 32 2HE2 GLN 32 -4.134 3.113 -4.191
222 H LYS 33 H LYS 33 -3.229 6.590 2.273
223 HA LYS 33 HA LYS 33 -1.423 8.474 1.516
224 HB2 LYS 33 1HB LYS 33 -1.960 9.656 3.440
225 HB3 LYS 33 2HB LYS 33 -3.332 8.567 3.280
226 HG2 LYS 33 1HG LYS 33 -2.420 7.098 4.958
227 HG3 LYS 33 2HG LYS 33 -0.952 8.073 5.057
228 HD2 LYS 33 1HD LYS 33 -2.093 9.877 6.048
229 HD3 LYS 33 2HD LYS 33 -3.673 9.228 5.603
230 HE2 LYS 33 1HE LYS 33 -3.485 7.472 7.201
231 HE3 LYS 33 2HE LYS 33 -1.791 7.851 7.508
232 HZ1 LYS 33 3HZ LYS 33 -3.312 8.667 9.249
233 HZ2 LYS 33 1HZ LYS 33 -4.051 9.679 8.112
234 HZ3 LYS 33 2HZ LYS 33 -2.426 9.910 8.520
235 H THR 34 H THR 34 -0.918 6.025 4.040
236 HA THR 34 HA THR 34 1.647 6.818 4.823
237 HB THR 34 HB THR 34 0.109 5.091 5.935
238 HG1 THR 34 HG1 THR 34 1.862 4.847 7.080
239 HG21 THR 34 3HG2 THR 34 -0.251 3.586 4.102
240 HG22 THR 34 1HG2 THR 34 0.679 2.731 5.331
241 HG23 THR 34 2HG2 THR 34 1.483 3.350 3.889
242 H HIS 35 H HIS 35 0.574 4.703 2.214
243 HA HIS 35 HA HIS 35 3.155 3.769 1.489
244 HB2 HIS 35 1HB HIS 35 0.510 3.861 0.050
245 HB3 HIS 35 2HB HIS 35 1.965 3.241 -0.725
246 HD1 HIS 35 HD1 HIS 35 3.120 1.668 1.693
247 HD2 HIS 35 HD2 HIS 35 -0.836 1.513 0.432
248 HE1 HIS 35 HE1 HIS 35 2.228 -0.524 2.544
249 H THR 36 H THR 36 4.573 5.479 1.284
250 HA THR 36 HA THR 36 4.365 7.921 0.210
251 HB THR 36 HB THR 36 6.687 7.751 -0.622
252 HG1 THR 36 HG1 THR 36 7.154 5.217 0.242
253 HG21 THR 36 3HG2 THR 36 6.346 6.306 2.005
254 HG22 THR 36 1HG2 THR 36 6.171 8.049 1.804
255 HG23 THR 36 2HG2 THR 36 7.726 7.277 1.492
256 H GLY 37 H GLY 37 3.966 8.879 -1.701
257 HA2 GLY 37 1HA GLY 37 2.984 7.300 -3.873
258 HA3 GLY 37 2HA GLY 37 3.157 9.049 -3.853
259 H GLU 38 H GLU 38 4.714 6.012 -4.587
260 HA GLU 38 HA GLU 38 7.276 6.685 -5.184
261 HB2 GLU 38 1HB GLU 38 7.247 4.949 -6.910
262 HB3 GLU 38 2HB GLU 38 6.385 4.426 -5.470
263 HG2 GLU 38 1HG GLU 38 4.979 5.601 -7.846
264 HG3 GLU 38 2HG GLU 38 5.332 3.880 -7.706
265 H LYS 39 H LYS 39 8.368 7.251 -7.180
266 HA LYS 39 HA LYS 39 8.778 8.925 -8.700
267 HB2 LYS 39 1HB LYS 39 7.628 6.926 -9.903
268 HB3 LYS 39 2HB LYS 39 6.252 8.012 -10.042
269 HG2 LYS 39 1HG LYS 39 8.011 9.658 -11.039
270 HG3 LYS 39 2HG LYS 39 8.938 8.182 -11.322
271 HD2 LYS 39 1HD LYS 39 6.084 8.546 -12.218
272 HD3 LYS 39 2HD LYS 39 7.476 8.929 -13.233
273 HE2 LYS 39 1HE LYS 39 8.252 6.594 -12.976
274 HE3 LYS 39 2HE LYS 39 6.792 6.237 -12.055
275 HZ1 LYS 39 3HZ LYS 39 6.539 7.411 -14.736
276 HZ2 LYS 39 1HZ LYS 39 5.476 6.389 -13.906
277 HZ3 LYS 39 2HZ LYS 39 6.888 5.762 -14.594
278 HA PRO 40 HA PRO 40 5.328 11.671 -7.004
279 HB2 PRO 40 1HB PRO 40 6.882 13.131 -5.323
280 HB3 PRO 40 2HB PRO 40 6.071 11.640 -4.830
281 HG2 PRO 40 1HG PRO 40 8.916 12.065 -5.658
282 HG3 PRO 40 2HG PRO 40 8.273 11.091 -4.323
283 HD2 PRO 40 1HD PRO 40 9.057 10.001 -6.675
284 HD3 PRO 40 2HD PRO 40 7.733 9.326 -5.704
285 H SER 41 H SER 41 5.005 13.824 -7.593
286 HA SER 41 HA SER 41 6.757 14.786 -9.677
287 HB2 SER 41 1HB SER 41 4.118 14.873 -9.514
288 HB3 SER 41 2HB SER 41 4.440 16.389 -8.672
289 HG SER 41 HG SER 41 5.411 17.189 -10.476
290 H GLY 42 H GLY 42 5.430 16.223 -6.687
291 HA2 GLY 42 1HA GLY 42 7.078 17.204 -5.125
292 HA3 GLY 42 2HA GLY 42 7.883 17.866 -6.540
293 HA PRO 43 HA PRO 43 3.762 20.313 -5.635
294 HB2 PRO 43 1HB PRO 43 3.142 20.387 -2.993
295 HB3 PRO 43 2HB PRO 43 2.489 19.173 -4.099
296 HG2 PRO 43 1HG PRO 43 4.772 18.951 -2.175
297 HG3 PRO 43 2HG PRO 43 3.477 17.788 -2.513
298 HD2 PRO 43 1HD PRO 43 5.962 17.546 -3.561
299 HD3 PRO 43 2HD PRO 43 4.507 17.005 -4.421
300 H SER 44 H SER 44 4.386 22.364 -5.812
301 HA SER 44 HA SER 44 6.535 23.381 -4.123
302 HB2 SER 44 1HB SER 44 6.505 23.699 -6.639
303 HB3 SER 44 2HB SER 44 5.161 24.815 -6.401
304 HG SER 44 HG SER 44 7.857 25.105 -5.768
305 H SER 45 H SER 45 5.929 24.180 -2.222
306 HA SER 45 HA SER 45 3.936 26.288 -2.145
307 HB2 SER 45 1HB SER 45 2.734 24.076 -1.749
308 HB3 SER 45 2HB SER 45 3.647 23.958 -0.245
309 HG SER 45 HG SER 45 2.640 25.776 0.506
310 H GLY 46 H GLY 46 4.770 27.891 -0.991
311 HA2 GLY 46 1HA GLY 46 7.073 27.444 0.690
312 HA3 GLY 46 2HA GLY 46 6.326 28.993 0.329
Start of MODEL 12
1 H1 GLY 1 H GLY 1 -10.409 -24.831 -10.459
2 HA2 GLY 1 1HA GLY 1 -10.231 -26.282 -7.970
3 HA3 GLY 1 2HA GLY 1 -8.693 -25.632 -8.519
4 H SER 2 H SER 2 -10.844 -25.037 -6.317
5 HA SER 2 HA SER 2 -10.476 -22.142 -6.477
6 HB2 SER 2 1HB SER 2 -13.154 -23.477 -6.015
7 HB3 SER 2 2HB SER 2 -12.839 -21.756 -5.794
8 HG SER 2 HG SER 2 -13.470 -21.752 -7.827
9 H SER 3 H SER 3 -10.575 -21.071 -4.453
10 HA SER 3 HA SER 3 -10.320 -22.887 -2.146
11 HB2 SER 3 1HB SER 3 -8.264 -21.539 -2.997
12 HB3 SER 3 2HB SER 3 -9.060 -20.159 -2.240
13 HG SER 3 HG SER 3 -7.503 -21.551 -0.963
14 H GLY 4 H GLY 4 -12.148 -22.789 -1.004
15 HA2 GLY 4 1HA GLY 4 -13.800 -21.912 0.334
16 HA3 GLY 4 2HA GLY 4 -12.925 -20.388 0.296
17 H SER 5 H SER 5 -15.850 -21.423 -0.133
18 HA SER 5 HA SER 5 -16.352 -19.797 -2.540
19 HB2 SER 5 1HB SER 5 -18.260 -21.161 -3.042
20 HB3 SER 5 2HB SER 5 -16.910 -22.254 -2.734
21 HG SER 5 HG SER 5 -17.788 -22.835 -0.842
22 H SER 6 H SER 6 -17.574 -20.719 0.651
23 HA SER 6 HA SER 6 -19.811 -19.136 0.840
24 HB2 SER 6 1HB SER 6 -17.800 -20.078 2.848
25 HB3 SER 6 2HB SER 6 -19.038 -18.928 3.353
26 HG SER 6 HG SER 6 -20.214 -20.658 3.568
27 H GLY 7 H GLY 7 -19.841 -17.105 0.048
28 HA2 GLY 7 1HA GLY 7 -18.320 -15.092 1.497
29 HA3 GLY 7 2HA GLY 7 -17.993 -15.200 -0.226
30 H THR 8 H THR 8 -19.733 -13.576 2.023
31 HA THR 8 HA THR 8 -22.068 -13.139 0.311
32 HB THR 8 HB THR 8 -22.584 -13.528 2.646
33 HG1 THR 8 HG1 THR 8 -23.995 -12.078 1.765
34 HG21 THR 8 3HG2 THR 8 -21.313 -12.776 4.313
35 HG22 THR 8 1HG2 THR 8 -21.583 -11.106 3.817
36 HG23 THR 8 2HG2 THR 8 -20.251 -12.028 3.120
37 H GLY 9 H GLY 9 -19.160 -11.592 1.429
38 HA2 GLY 9 1HA GLY 9 -19.797 -9.292 -0.292
39 HA3 GLY 9 2HA GLY 9 -19.243 -9.011 1.352
40 H GLU 10 H GLU 10 -18.187 -8.715 -1.603
41 HA GLU 10 HA GLU 10 -15.531 -9.875 -1.095
42 HB2 GLU 10 1HB GLU 10 -15.196 -9.452 -3.582
43 HB3 GLU 10 2HB GLU 10 -16.334 -10.719 -3.147
44 HG2 GLU 10 1HG GLU 10 -17.216 -7.917 -3.755
45 HG3 GLU 10 2HG GLU 10 -17.010 -9.138 -5.010
46 H LYS 11 H LYS 11 -14.556 -8.302 0.108
47 HA LYS 11 HA LYS 11 -14.721 -5.636 0.140
48 HB2 LYS 11 1HB LYS 11 -12.206 -7.302 0.175
49 HB3 LYS 11 2HB LYS 11 -12.208 -5.577 0.519
50 HG2 LYS 11 1HG LYS 11 -12.310 -6.483 2.627
51 HG3 LYS 11 2HG LYS 11 -14.016 -6.196 2.278
52 HD2 LYS 11 1HD LYS 11 -14.473 -8.436 2.001
53 HD3 LYS 11 2HD LYS 11 -12.809 -8.830 1.563
54 HE2 LYS 11 1HE LYS 11 -12.100 -8.860 3.766
55 HE3 LYS 11 2HE LYS 11 -13.436 -7.849 4.316
56 HZ1 LYS 11 3HZ LYS 11 -14.167 -9.844 5.053
57 HZ2 LYS 11 1HZ LYS 11 -13.347 -10.730 3.868
58 HZ3 LYS 11 2HZ LYS 11 -14.795 -9.943 3.486
59 HA PRO 12 HA PRO 12 -13.995 -4.790 -4.260
60 HB2 PRO 12 1HB PRO 12 -15.218 -2.367 -4.206
61 HB3 PRO 12 2HB PRO 12 -16.106 -3.888 -4.353
62 HG2 PRO 12 1HG PRO 12 -15.633 -2.197 -1.928
63 HG3 PRO 12 2HG PRO 12 -17.120 -3.008 -2.454
64 HD2 PRO 12 1HD PRO 12 -15.510 -4.024 -0.529
65 HD3 PRO 12 2HD PRO 12 -16.445 -5.053 -1.632
66 H TYR 13 H TYR 13 -12.685 -3.617 -1.454
67 HA TYR 13 HA TYR 13 -10.953 -1.744 -2.928
68 HB2 TYR 13 1HB TYR 13 -11.581 -1.496 0.010
69 HB3 TYR 13 2HB TYR 13 -10.817 -0.309 -1.041
70 HD1 TYR 13 HD1 TYR 13 -12.290 0.562 -3.020
71 HD2 TYR 13 HD2 TYR 13 -13.846 -1.312 0.469
72 HE1 TYR 13 HE1 TYR 13 -14.479 1.599 -3.446
73 HE2 TYR 13 HE2 TYR 13 -16.039 -0.280 0.052
74 HH TYR 13 HH TYR 13 -16.780 1.983 -1.301
75 H GLU 14 H GLU 14 -9.083 -2.770 -3.226
76 HA GLU 14 HA GLU 14 -7.801 -4.004 -0.888
77 HB2 GLU 14 1HB GLU 14 -8.834 -5.636 -2.647
78 HB3 GLU 14 2HB GLU 14 -7.436 -5.192 -3.616
79 HG2 GLU 14 1HG GLU 14 -6.008 -5.869 -1.655
80 HG3 GLU 14 2HG GLU 14 -7.468 -6.546 -0.937
81 H CYS 15 H CYS 15 -5.735 -3.426 -0.581
82 HA CYS 15 HA CYS 15 -4.596 -1.376 -2.202
83 HB2 CYS 15 1HB CYS 15 -4.312 -1.923 0.368
84 HB3 CYS 15 2HB CYS 15 -2.962 -2.893 -0.211
85 H LYS 16 H LYS 16 -2.337 -1.513 -3.044
86 HA LYS 16 HA LYS 16 -1.957 -4.083 -4.428
87 HB2 LYS 16 1HB LYS 16 -1.070 -1.301 -5.212
88 HB3 LYS 16 2HB LYS 16 -0.692 -2.764 -6.112
89 HG2 LYS 16 1HG LYS 16 -3.270 -3.081 -6.166
90 HG3 LYS 16 2HG LYS 16 -3.304 -1.355 -5.800
91 HD2 LYS 16 1HD LYS 16 -2.020 -0.863 -7.781
92 HD3 LYS 16 2HD LYS 16 -1.803 -2.583 -8.112
93 HE2 LYS 16 1HE LYS 16 -3.543 -2.114 -9.522
94 HE3 LYS 16 2HE LYS 16 -4.434 -2.582 -8.075
95 HZ1 LYS 16 3HZ LYS 16 -3.732 0.236 -8.346
96 HZ2 LYS 16 1HZ LYS 16 -5.128 -0.475 -7.707
97 HZ3 LYS 16 2HZ LYS 16 -4.932 -0.354 -9.383
98 H VAL 17 H VAL 17 -0.260 -1.476 -2.743
99 HA VAL 17 HA VAL 17 2.321 -2.634 -2.902
100 HB VAL 17 HB VAL 17 1.220 -0.647 -0.910
101 HG11 VAL 17 1HG1 VAL 17 3.489 -0.133 -0.330
102 HG12 VAL 17 2HG1 VAL 17 3.244 -1.869 -0.127
103 HG13 VAL 17 3HG1 VAL 17 4.103 -1.258 -1.541
104 HG21 VAL 17 3HG2 VAL 17 3.117 0.279 -2.924
105 HG22 VAL 17 1HG2 VAL 17 1.609 -0.329 -3.608
106 HG23 VAL 17 2HG2 VAL 17 1.576 0.970 -2.416
107 H CYS 18 H CYS 18 0.036 -2.437 -0.167
108 HA CYS 18 HA CYS 18 1.533 -4.479 1.260
109 HB2 CYS 18 1HB CYS 18 0.111 -3.988 3.134
110 HB3 CYS 18 2HB CYS 18 0.604 -2.459 2.415
111 H SER 19 H SER 19 -1.401 -4.145 -0.578
112 HA SER 19 HA SER 19 -2.815 -5.715 -1.441
113 HB2 SER 19 1HB SER 19 -0.673 -7.101 -1.577
114 HB3 SER 19 2HB SER 19 -1.188 -7.854 -0.067
115 HG SER 19 HG SER 19 -2.715 -8.905 -1.097
116 H LYS 20 H LYS 20 -3.528 -4.412 0.854
117 HA LYS 20 HA LYS 20 -4.730 -6.477 2.566
118 HB2 LYS 20 1HB LYS 20 -3.294 -4.467 3.448
119 HB3 LYS 20 2HB LYS 20 -4.781 -3.555 3.223
120 HG2 LYS 20 1HG LYS 20 -4.856 -6.110 4.756
121 HG3 LYS 20 2HG LYS 20 -4.228 -4.650 5.524
122 HD2 LYS 20 1HD LYS 20 -6.437 -3.591 4.562
123 HD3 LYS 20 2HD LYS 20 -6.987 -5.268 4.577
124 HE2 LYS 20 1HE LYS 20 -5.733 -3.979 6.983
125 HE3 LYS 20 2HE LYS 20 -7.460 -3.851 6.650
126 HZ1 LYS 20 3HZ LYS 20 -6.668 -5.731 8.156
127 HZ2 LYS 20 1HZ LYS 20 -6.114 -6.478 6.743
128 HZ3 LYS 20 2HZ LYS 20 -7.758 -6.125 6.924
129 H ALA 21 H ALA 21 -6.931 -6.522 2.957
130 HA ALA 21 HA ALA 21 -8.558 -5.077 0.989
131 HB1 ALA 21 3HB ALA 21 -10.254 -6.764 1.369
132 HB2 ALA 21 1HB ALA 21 -8.709 -7.532 1.001
133 HB3 ALA 21 2HB ALA 21 -9.291 -7.475 2.665
134 H PHE 22 H PHE 22 -10.070 -3.626 1.566
135 HA PHE 22 HA PHE 22 -10.591 -3.266 4.444
136 HB2 PHE 22 1HB PHE 22 -10.561 -1.053 2.389
137 HB3 PHE 22 2HB PHE 22 -10.651 -0.889 4.139
138 HD1 PHE 22 HD1 PHE 22 -8.437 -2.097 1.413
139 HD2 PHE 22 HD2 PHE 22 -8.717 -0.607 5.390
140 HE1 PHE 22 HE1 PHE 22 -5.985 -1.921 1.516
141 HE2 PHE 22 HE2 PHE 22 -6.266 -0.427 5.499
142 HZ PHE 22 HZ PHE 22 -4.896 -1.084 3.560
143 H THR 23 H THR 23 -12.674 -2.841 5.084
144 HA THR 23 HA THR 23 -14.753 -3.733 3.344
145 HB THR 23 HB THR 23 -14.893 -4.200 5.724
146 HG1 THR 23 HG1 THR 23 -17.045 -3.647 5.955
147 HG21 THR 23 3HG2 THR 23 -13.871 -2.448 6.851
148 HG22 THR 23 1HG2 THR 23 -15.577 -2.167 7.196
149 HG23 THR 23 2HG2 THR 23 -14.760 -1.217 5.954
150 H GLN 24 H GLN 24 -13.565 -0.612 4.380
151 HA GLN 24 HA GLN 24 -15.649 0.677 2.744
152 HB2 GLN 24 1HB GLN 24 -14.176 1.777 5.144
153 HB3 GLN 24 2HB GLN 24 -15.299 2.694 4.148
154 HG2 GLN 24 1HG GLN 24 -16.197 0.150 5.415
155 HG3 GLN 24 2HG GLN 24 -16.088 1.620 6.381
156 HE21 GLN 24 1HE2 GLN 24 -18.489 0.403 6.064
157 HE22 GLN 24 2HE2 GLN 24 -19.513 1.355 5.049
158 H LYS 25 H LYS 25 -15.038 2.434 1.428
159 HA LYS 25 HA LYS 25 -12.485 2.159 0.212
160 HB2 LYS 25 1HB LYS 25 -13.178 4.069 -1.180
161 HB3 LYS 25 2HB LYS 25 -14.430 2.837 -1.085
162 HG2 LYS 25 1HG LYS 25 -15.832 4.157 0.156
163 HG3 LYS 25 2HG LYS 25 -14.511 5.116 0.829
164 HD2 LYS 25 1HD LYS 25 -14.273 6.369 -1.147
165 HD3 LYS 25 2HD LYS 25 -15.220 5.216 -2.090
166 HE2 LYS 25 1HE LYS 25 -17.153 5.838 -0.510
167 HE3 LYS 25 2HE LYS 25 -16.162 7.229 -0.074
168 HZ1 LYS 25 3HZ LYS 25 -17.067 8.219 -1.829
169 HZ2 LYS 25 1HZ LYS 25 -17.719 6.777 -2.428
170 HZ3 LYS 25 2HZ LYS 25 -16.126 7.205 -2.802
171 H ALA 26 H ALA 26 -13.846 4.384 2.559
172 HA ALA 26 HA ALA 26 -11.923 6.399 2.494
173 HB1 ALA 26 3HB ALA 26 -12.591 6.363 5.114
174 HB2 ALA 26 1HB ALA 26 -13.581 7.088 3.847
175 HB3 ALA 26 2HB ALA 26 -13.935 5.457 4.419
176 H HIS 27 H HIS 27 -11.979 3.380 4.359
177 HA HIS 27 HA HIS 27 -9.682 3.769 5.874
178 HB2 HIS 27 1HB HIS 27 -11.464 1.821 5.829
179 HB3 HIS 27 2HB HIS 27 -10.277 1.050 4.782
180 HD1 HIS 27 HD1 HIS 27 -10.941 -0.147 7.529
181 HD2 HIS 27 HD2 HIS 27 -7.817 2.504 6.840
182 HE1 HIS 27 HE1 HIS 27 -9.300 -0.542 9.393
183 H LEU 28 H LEU 28 -10.004 2.243 2.677
184 HA LEU 28 HA LEU 28 -7.250 1.715 2.339
185 HB2 LEU 28 1HB LEU 28 -8.807 0.512 1.015
186 HB3 LEU 28 2HB LEU 28 -9.525 1.997 0.393
187 HG LEU 28 HG LEU 28 -7.105 2.343 -0.603
188 HD11 LEU 28 1HD1 LEU 28 -6.307 0.246 0.563
189 HD12 LEU 28 2HD1 LEU 28 -5.959 0.359 -1.162
190 HD13 LEU 28 3HD1 LEU 28 -7.284 -0.658 -0.594
191 HD21 LEU 28 3HD2 LEU 28 -7.877 1.332 -2.669
192 HD22 LEU 28 1HD2 LEU 28 -9.205 2.173 -1.868
193 HD23 LEU 28 2HD2 LEU 28 -9.100 0.414 -1.788
194 H ALA 29 H ALA 29 -9.304 4.290 0.973
195 HA ALA 29 HA ALA 29 -7.367 5.704 -0.396
196 HB1 ALA 29 3HB ALA 29 -9.119 6.985 -0.852
197 HB2 ALA 29 1HB ALA 29 -10.052 6.118 0.368
198 HB3 ALA 29 2HB ALA 29 -9.155 7.571 0.811
199 H GLN 30 H GLN 30 -8.264 5.933 3.022
200 HA GLN 30 HA GLN 30 -6.417 8.052 3.572
201 HB2 GLN 30 1HB GLN 30 -8.254 6.342 5.176
202 HB3 GLN 30 2HB GLN 30 -6.937 7.147 6.018
203 HG2 GLN 30 1HG GLN 30 -7.798 9.268 4.796
204 HG3 GLN 30 2HG GLN 30 -9.279 8.331 4.601
205 HE21 GLN 30 1HE2 GLN 30 -8.799 10.758 6.138
206 HE22 GLN 30 2HE2 GLN 30 -9.229 10.387 7.770
207 H HIS 31 H HIS 31 -6.423 4.546 3.954
208 HA HIS 31 HA HIS 31 -4.072 4.294 5.456
209 HB2 HIS 31 1HB HIS 31 -5.254 2.317 5.369
210 HB3 HIS 31 2HB HIS 31 -5.627 2.491 3.656
211 HD1 HIS 31 HD1 HIS 31 -2.748 1.542 5.922
212 HD2 HIS 31 HD2 HIS 31 -3.965 1.121 1.972
213 HE1 HIS 31 HE1 HIS 31 -1.097 -0.039 4.874
214 H GLN 32 H GLN 32 -4.531 4.046 1.929
215 HA GLN 32 HA GLN 32 -2.097 3.521 0.977
216 HB2 GLN 32 1HB GLN 32 -4.008 5.658 0.055
217 HB3 GLN 32 2HB GLN 32 -2.542 5.272 -0.836
218 HG2 GLN 32 1HG GLN 32 -3.292 3.013 -1.186
219 HG3 GLN 32 2HG GLN 32 -4.709 3.292 -0.175
220 HE21 GLN 32 1HE2 GLN 32 -3.688 3.056 -3.265
221 HE22 GLN 32 2HE2 GLN 32 -4.909 3.988 -4.057
222 H LYS 33 H LYS 33 -3.059 6.717 2.186
223 HA LYS 33 HA LYS 33 -0.940 8.286 1.672
224 HB2 LYS 33 1HB LYS 33 -2.422 7.998 4.284
225 HB3 LYS 33 2HB LYS 33 -1.259 9.283 3.985
226 HG2 LYS 33 1HG LYS 33 -2.603 10.145 2.183
227 HG3 LYS 33 2HG LYS 33 -3.727 8.792 2.330
228 HD2 LYS 33 1HD LYS 33 -3.999 9.605 4.776
229 HD3 LYS 33 2HD LYS 33 -3.306 11.114 4.177
230 HE2 LYS 33 1HE LYS 33 -5.654 9.791 2.848
231 HE3 LYS 33 2HE LYS 33 -5.851 10.913 4.193
232 HZ1 LYS 33 3HZ LYS 33 -5.939 12.411 2.536
233 HZ2 LYS 33 1HZ LYS 33 -5.097 11.436 1.439
234 HZ3 LYS 33 2HZ LYS 33 -4.251 12.322 2.605
235 H THR 34 H THR 34 -1.045 5.912 4.316
236 HA THR 34 HA THR 34 1.375 6.330 5.512
237 HB THR 34 HB THR 34 1.425 3.926 6.071
238 HG1 THR 34 HG1 THR 34 0.171 2.503 5.030
239 HG21 THR 34 3HG2 THR 34 -0.318 5.742 6.967
240 HG22 THR 34 1HG2 THR 34 -0.323 4.070 7.524
241 HG23 THR 34 2HG2 THR 34 -1.458 4.587 6.278
242 H HIS 35 H HIS 35 0.782 4.306 2.645
243 HA HIS 35 HA HIS 35 3.429 3.485 2.245
244 HB2 HIS 35 1HB HIS 35 1.156 3.850 0.289
245 HB3 HIS 35 2HB HIS 35 2.695 3.111 -0.140
246 HD1 HIS 35 HD1 HIS 35 3.277 1.079 1.830
247 HD2 HIS 35 HD2 HIS 35 -0.655 1.924 0.785
248 HE1 HIS 35 HE1 HIS 35 1.957 -0.965 2.468
249 H THR 36 H THR 36 5.152 4.348 1.199
250 HA THR 36 HA THR 36 4.965 7.187 0.510
251 HB THR 36 HB THR 36 7.422 5.462 0.884
252 HG1 THR 36 HG1 THR 36 6.772 7.519 2.652
253 HG21 THR 36 3HG2 THR 36 7.007 8.209 -0.056
254 HG22 THR 36 1HG2 THR 36 8.401 7.146 -0.244
255 HG23 THR 36 2HG2 THR 36 8.184 8.060 1.248
256 H GLY 37 H GLY 37 4.506 7.589 -1.558
257 HA2 GLY 37 1HA GLY 37 6.165 7.142 -3.680
258 HA3 GLY 37 2HA GLY 37 5.126 5.725 -3.657
259 H GLU 38 H GLU 38 2.729 6.228 -3.551
260 HA GLU 38 HA GLU 38 2.178 8.358 -5.489
261 HB2 GLU 38 1HB GLU 38 0.886 5.756 -4.819
262 HB3 GLU 38 2HB GLU 38 -0.128 7.042 -5.458
263 HG2 GLU 38 1HG GLU 38 0.950 7.060 -7.502
264 HG3 GLU 38 2HG GLU 38 2.399 6.291 -6.858
265 H LYS 39 H LYS 39 2.617 9.122 -2.818
266 HA LYS 39 HA LYS 39 -0.075 9.769 -1.833
267 HB2 LYS 39 1HB LYS 39 1.005 10.316 0.292
268 HB3 LYS 39 2HB LYS 39 1.407 8.680 -0.214
269 HG2 LYS 39 1HG LYS 39 3.595 9.309 -0.843
270 HG3 LYS 39 2HG LYS 39 3.208 11.028 -0.731
271 HD2 LYS 39 1HD LYS 39 3.004 10.888 1.656
272 HD3 LYS 39 2HD LYS 39 3.159 9.130 1.612
273 HE2 LYS 39 1HE LYS 39 5.290 9.764 2.211
274 HE3 LYS 39 2HE LYS 39 5.441 9.643 0.459
275 HZ1 LYS 39 3HZ LYS 39 5.525 11.909 0.219
276 HZ2 LYS 39 1HZ LYS 39 6.329 11.723 1.696
277 HZ3 LYS 39 2HZ LYS 39 4.713 12.221 1.670
278 HA PRO 40 HA PRO 40 0.288 13.988 -3.001
279 HB2 PRO 40 1HB PRO 40 -1.161 15.180 -1.039
280 HB3 PRO 40 2HB PRO 40 -1.898 14.228 -2.333
281 HG2 PRO 40 1HG PRO 40 -1.262 13.427 0.481
282 HG3 PRO 40 2HG PRO 40 -2.716 13.091 -0.477
283 HD2 PRO 40 1HD PRO 40 -0.751 11.263 -0.121
284 HD3 PRO 40 2HD PRO 40 -1.721 11.344 -1.605
285 H SER 41 H SER 41 0.597 16.246 -1.787
286 HA SER 41 HA SER 41 3.230 16.234 -0.785
287 HB2 SER 41 1HB SER 41 1.087 18.315 -1.033
288 HB3 SER 41 2HB SER 41 2.548 18.679 -0.116
289 HG SER 41 HG SER 41 3.753 18.459 -1.921
290 H GLY 42 H GLY 42 0.131 16.885 0.853
291 HA2 GLY 42 1HA GLY 42 -0.490 16.423 3.033
292 HA3 GLY 42 2HA GLY 42 1.067 15.644 3.271
293 HA PRO 43 HA PRO 43 0.787 20.130 5.019
294 HB2 PRO 43 1HB PRO 43 -0.267 19.690 7.482
295 HB3 PRO 43 2HB PRO 43 -1.255 20.094 6.073
296 HG2 PRO 43 1HG PRO 43 -0.718 17.419 7.306
297 HG3 PRO 43 2HG PRO 43 -2.245 18.086 6.700
298 HD2 PRO 43 1HD PRO 43 -0.749 16.339 5.271
299 HD3 PRO 43 2HD PRO 43 -1.730 17.605 4.505
300 H SER 44 H SER 44 2.765 20.621 5.704
301 HA SER 44 HA SER 44 4.162 18.735 7.476
302 HB2 SER 44 1HB SER 44 6.241 19.824 6.690
303 HB3 SER 44 2HB SER 44 5.303 19.154 5.356
304 HG SER 44 HG SER 44 5.465 21.091 4.562
305 H SER 45 H SER 45 3.654 19.346 9.513
306 HA SER 45 HA SER 45 3.643 22.153 10.253
307 HB2 SER 45 1HB SER 45 3.004 21.260 12.513
308 HB3 SER 45 2HB SER 45 1.901 20.797 11.217
309 HG SER 45 HG SER 45 3.813 19.232 12.570
310 H GLY 46 H GLY 46 5.377 19.206 11.266
311 HA2 GLY 46 1HA GLY 46 7.876 19.546 11.331
312 HA3 GLY 46 2HA GLY 46 7.513 20.956 12.315
Start of MODEL 13
1 H1 GLY 1 H GLY 1 -4.743 -33.938 -3.307
2 HA2 GLY 1 1HA GLY 1 -3.707 -31.248 -3.869
3 HA3 GLY 1 2HA GLY 1 -4.459 -32.324 -5.038
4 H SER 2 H SER 2 -6.625 -32.221 -5.378
5 HA SER 2 HA SER 2 -8.594 -31.037 -5.545
6 HB2 SER 2 1HB SER 2 -8.995 -32.755 -3.787
7 HB3 SER 2 2HB SER 2 -8.560 -31.562 -2.563
8 HG SER 2 HG SER 2 -10.854 -31.765 -4.123
9 H SER 3 H SER 3 -6.478 -29.247 -5.447
10 HA SER 3 HA SER 3 -7.117 -27.197 -3.494
11 HB2 SER 3 1HB SER 3 -5.099 -27.205 -5.752
12 HB3 SER 3 2HB SER 3 -5.238 -25.961 -4.510
13 HG SER 3 HG SER 3 -3.873 -27.196 -3.487
14 H GLY 4 H GLY 4 -8.371 -25.470 -3.836
15 HA2 GLY 4 1HA GLY 4 -9.006 -24.701 -6.601
16 HA3 GLY 4 2HA GLY 4 -10.324 -25.057 -5.494
17 H SER 5 H SER 5 -10.531 -22.679 -6.500
18 HA SER 5 HA SER 5 -9.225 -20.785 -4.675
19 HB2 SER 5 1HB SER 5 -10.503 -20.482 -7.382
20 HB3 SER 5 2HB SER 5 -10.250 -19.082 -6.339
21 HG SER 5 HG SER 5 -7.984 -19.938 -6.232
22 H SER 6 H SER 6 -10.687 -21.548 -2.961
23 HA SER 6 HA SER 6 -13.255 -20.118 -3.086
24 HB2 SER 6 1HB SER 6 -13.500 -22.636 -3.300
25 HB3 SER 6 2HB SER 6 -12.885 -22.752 -1.652
26 HG SER 6 HG SER 6 -14.983 -20.981 -2.099
27 H GLY 7 H GLY 7 -10.911 -19.028 -2.062
28 HA2 GLY 7 1HA GLY 7 -10.968 -19.369 0.829
29 HA3 GLY 7 2HA GLY 7 -9.857 -18.356 -0.081
30 H THR 8 H THR 8 -11.519 -17.802 2.320
31 HA THR 8 HA THR 8 -13.515 -15.914 1.429
32 HB THR 8 HB THR 8 -12.461 -16.409 4.221
33 HG1 THR 8 HG1 THR 8 -14.201 -17.789 4.429
34 HG21 THR 8 3HG2 THR 8 -14.308 -14.470 3.123
35 HG22 THR 8 1HG2 THR 8 -13.641 -14.588 4.751
36 HG23 THR 8 2HG2 THR 8 -15.091 -15.497 4.324
37 H GLY 9 H GLY 9 -13.399 -13.699 1.489
38 HA2 GLY 9 1HA GLY 9 -12.213 -11.733 2.466
39 HA3 GLY 9 2HA GLY 9 -10.725 -12.574 2.057
40 H GLU 10 H GLU 10 -13.743 -11.900 0.280
41 HA GLU 10 HA GLU 10 -12.082 -10.798 -1.890
42 HB2 GLU 10 1HB GLU 10 -14.629 -12.384 -1.919
43 HB3 GLU 10 2HB GLU 10 -14.226 -11.332 -3.269
44 HG2 GLU 10 1HG GLU 10 -12.496 -12.637 -3.960
45 HG3 GLU 10 2HG GLU 10 -12.158 -13.242 -2.339
46 H LYS 11 H LYS 11 -12.132 -8.727 -0.822
47 HA LYS 11 HA LYS 11 -14.731 -7.382 -0.771
48 HB2 LYS 11 1HB LYS 11 -12.021 -6.538 0.267
49 HB3 LYS 11 2HB LYS 11 -13.471 -5.548 0.366
50 HG2 LYS 11 1HG LYS 11 -14.473 -6.947 1.924
51 HG3 LYS 11 2HG LYS 11 -13.421 -8.307 1.523
52 HD2 LYS 11 1HD LYS 11 -11.621 -7.421 2.701
53 HD3 LYS 11 2HD LYS 11 -12.281 -5.784 2.669
54 HE2 LYS 11 1HE LYS 11 -13.470 -8.090 4.208
55 HE3 LYS 11 2HE LYS 11 -12.408 -6.865 4.900
56 HZ1 LYS 11 3HZ LYS 11 -14.411 -5.490 3.590
57 HZ2 LYS 11 1HZ LYS 11 -14.209 -5.653 5.262
58 HZ3 LYS 11 2HZ LYS 11 -15.195 -6.739 4.420
59 HA PRO 12 HA PRO 12 -14.062 -5.125 -4.477
60 HB2 PRO 12 1HB PRO 12 -15.316 -2.789 -3.897
61 HB3 PRO 12 2HB PRO 12 -16.187 -4.294 -4.211
62 HG2 PRO 12 1HG PRO 12 -15.500 -3.015 -1.593
63 HG3 PRO 12 2HG PRO 12 -17.018 -3.778 -2.102
64 HD2 PRO 12 1HD PRO 12 -15.202 -5.043 -0.541
65 HD3 PRO 12 2HD PRO 12 -16.226 -5.907 -1.707
66 H TYR 13 H TYR 13 -12.496 -4.388 -1.654
67 HA TYR 13 HA TYR 13 -10.914 -2.287 -2.976
68 HB2 TYR 13 1HB TYR 13 -11.399 -2.394 0.000
69 HB3 TYR 13 2HB TYR 13 -10.664 -1.091 -0.928
70 HD1 TYR 13 HD1 TYR 13 -12.131 0.196 -2.556
71 HD2 TYR 13 HD2 TYR 13 -13.714 -2.435 0.390
72 HE1 TYR 13 HE1 TYR 13 -14.326 1.286 -2.770
73 HE2 TYR 13 HE2 TYR 13 -15.913 -1.352 0.183
74 HH TYR 13 HH TYR 13 -16.376 1.591 -1.337
75 H GLU 14 H GLU 14 -8.897 -2.921 -3.304
76 HA GLU 14 HA GLU 14 -7.540 -4.526 -1.273
77 HB2 GLU 14 1HB GLU 14 -8.508 -6.044 -3.048
78 HB3 GLU 14 2HB GLU 14 -7.430 -5.264 -4.197
79 HG2 GLU 14 1HG GLU 14 -5.619 -5.931 -2.385
80 HG3 GLU 14 2HG GLU 14 -6.821 -7.164 -2.008
81 H CYS 15 H CYS 15 -5.660 -3.617 -0.803
82 HA CYS 15 HA CYS 15 -4.607 -1.438 -2.273
83 HB2 CYS 15 1HB CYS 15 -4.339 -2.096 0.253
84 HB3 CYS 15 2HB CYS 15 -2.942 -2.996 -0.329
85 H LYS 16 H LYS 16 -2.323 -1.353 -3.058
86 HA LYS 16 HA LYS 16 -1.751 -3.760 -4.647
87 HB2 LYS 16 1HB LYS 16 -1.060 -0.856 -5.101
88 HB3 LYS 16 2HB LYS 16 -0.413 -2.168 -6.077
89 HG2 LYS 16 1HG LYS 16 -2.182 -1.516 -7.363
90 HG3 LYS 16 2HG LYS 16 -2.944 -2.773 -6.386
91 HD2 LYS 16 1HD LYS 16 -3.596 -0.894 -4.786
92 HD3 LYS 16 2HD LYS 16 -3.140 0.213 -6.083
93 HE2 LYS 16 1HE LYS 16 -4.732 -1.012 -7.573
94 HE3 LYS 16 2HE LYS 16 -5.268 -1.921 -6.161
95 HZ1 LYS 16 3HZ LYS 16 -5.515 0.996 -6.625
96 HZ2 LYS 16 1HZ LYS 16 -5.805 0.270 -5.125
97 HZ3 LYS 16 2HZ LYS 16 -6.764 -0.132 -6.458
98 H VAL 17 H VAL 17 -0.404 -1.482 -2.370
99 HA VAL 17 HA VAL 17 2.294 -2.449 -2.609
100 HB VAL 17 HB VAL 17 1.015 -0.715 -0.491
101 HG11 VAL 17 1HG1 VAL 17 2.926 -1.730 0.487
102 HG12 VAL 17 2HG1 VAL 17 3.887 -1.480 -0.971
103 HG13 VAL 17 3HG1 VAL 17 3.402 -0.100 0.014
104 HG21 VAL 17 3HG2 VAL 17 2.982 0.366 -2.412
105 HG22 VAL 17 1HG2 VAL 17 1.394 -0.043 -3.061
106 HG23 VAL 17 2HG2 VAL 17 1.534 1.107 -1.732
107 H CYS 18 H CYS 18 0.143 -2.396 0.235
108 HA CYS 18 HA CYS 18 1.519 -4.682 1.352
109 HB2 CYS 18 1HB CYS 18 0.203 -4.303 3.326
110 HB3 CYS 18 2HB CYS 18 0.757 -2.738 2.738
111 H SER 19 H SER 19 -1.224 -4.117 -0.590
112 HA SER 19 HA SER 19 -2.818 -5.483 -1.467
113 HB2 SER 19 1HB SER 19 -0.919 -7.584 -0.413
114 HB3 SER 19 2HB SER 19 -2.368 -7.978 -1.338
115 HG SER 19 HG SER 19 -1.534 -6.865 -3.081
116 H LYS 20 H LYS 20 -3.517 -4.347 0.876
117 HA LYS 20 HA LYS 20 -4.736 -6.484 2.484
118 HB2 LYS 20 1HB LYS 20 -3.300 -4.657 3.555
119 HB3 LYS 20 2HB LYS 20 -4.628 -3.559 3.205
120 HG2 LYS 20 1HG LYS 20 -6.095 -4.721 4.648
121 HG3 LYS 20 2HG LYS 20 -4.980 -6.081 4.799
122 HD2 LYS 20 1HD LYS 20 -4.522 -5.006 6.759
123 HD3 LYS 20 2HD LYS 20 -3.370 -4.182 5.707
124 HE2 LYS 20 1HE LYS 20 -4.354 -2.378 6.708
125 HE3 LYS 20 2HE LYS 20 -5.410 -2.563 5.309
126 HZ1 LYS 20 3HZ LYS 20 -7.124 -2.913 6.644
127 HZ2 LYS 20 1HZ LYS 20 -6.137 -2.586 7.979
128 HZ3 LYS 20 2HZ LYS 20 -6.329 -4.177 7.438
129 H ALA 21 H ALA 21 -6.935 -6.557 2.850
130 HA ALA 21 HA ALA 21 -8.556 -5.045 0.937
131 HB1 ALA 21 3HB ALA 21 -8.782 -7.470 0.892
132 HB2 ALA 21 1HB ALA 21 -9.256 -7.469 2.590
133 HB3 ALA 21 2HB ALA 21 -10.294 -6.709 1.384
134 H PHE 22 H PHE 22 -10.389 -3.884 1.545
135 HA PHE 22 HA PHE 22 -10.724 -3.395 4.425
136 HB2 PHE 22 1HB PHE 22 -10.795 -1.241 2.303
137 HB3 PHE 22 2HB PHE 22 -10.949 -1.015 4.042
138 HD1 PHE 22 HD1 PHE 22 -8.606 -2.095 1.386
139 HD2 PHE 22 HD2 PHE 22 -9.060 -0.718 5.389
140 HE1 PHE 22 HE1 PHE 22 -6.170 -1.798 1.557
141 HE2 PHE 22 HE2 PHE 22 -6.624 -0.418 5.565
142 HZ PHE 22 HZ PHE 22 -5.176 -0.957 3.648
143 H THR 23 H THR 23 -12.821 -2.254 4.899
144 HA THR 23 HA THR 23 -14.933 -3.499 3.299
145 HB THR 23 HB THR 23 -14.989 -3.972 5.694
146 HG1 THR 23 HG1 THR 23 -17.028 -2.521 4.444
147 HG21 THR 23 3HG2 THR 23 -14.896 -0.994 5.891
148 HG22 THR 23 1HG2 THR 23 -14.036 -2.209 6.835
149 HG23 THR 23 2HG2 THR 23 -15.748 -1.911 7.132
150 H GLN 24 H GLN 24 -13.610 -0.414 4.117
151 HA GLN 24 HA GLN 24 -15.729 0.877 2.538
152 HB2 GLN 24 1HB GLN 24 -14.444 1.935 5.060
153 HB3 GLN 24 2HB GLN 24 -15.491 2.878 4.008
154 HG2 GLN 24 1HG GLN 24 -17.250 1.096 4.408
155 HG3 GLN 24 2HG GLN 24 -16.204 0.506 5.699
156 HE21 GLN 24 1HE2 GLN 24 -18.844 2.261 5.178
157 HE22 GLN 24 2HE2 GLN 24 -18.752 3.383 6.488
158 H LYS 25 H LYS 25 -15.012 3.095 1.762
159 HA LYS 25 HA LYS 25 -12.509 2.788 0.391
160 HB2 LYS 25 1HB LYS 25 -14.381 5.162 0.453
161 HB3 LYS 25 2HB LYS 25 -13.080 4.896 -0.700
162 HG2 LYS 25 1HG LYS 25 -14.220 2.979 -1.613
163 HG3 LYS 25 2HG LYS 25 -15.485 3.112 -0.389
164 HD2 LYS 25 1HD LYS 25 -16.392 5.016 -1.349
165 HD3 LYS 25 2HD LYS 25 -14.896 5.426 -2.192
166 HE2 LYS 25 1HE LYS 25 -15.288 3.931 -3.894
167 HE3 LYS 25 2HE LYS 25 -16.300 2.892 -2.893
168 HZ1 LYS 25 3HZ LYS 25 -17.234 5.601 -3.531
169 HZ2 LYS 25 1HZ LYS 25 -18.131 4.200 -3.222
170 HZ3 LYS 25 2HZ LYS 25 -17.356 4.396 -4.712
171 H ALA 26 H ALA 26 -13.785 5.245 2.641
172 HA ALA 26 HA ALA 26 -11.655 6.874 2.978
173 HB1 ALA 26 3HB ALA 26 -13.163 7.654 4.420
174 HB2 ALA 26 1HB ALA 26 -13.895 6.063 4.634
175 HB3 ALA 26 2HB ALA 26 -12.485 6.521 5.590
176 H HIS 27 H HIS 27 -12.059 3.688 4.474
177 HA HIS 27 HA HIS 27 -9.775 3.730 6.094
178 HB2 HIS 27 1HB HIS 27 -11.237 1.428 4.792
179 HB3 HIS 27 2HB HIS 27 -9.932 1.214 5.955
180 HD1 HIS 27 HD1 HIS 27 -11.374 0.156 7.763
181 HD2 HIS 27 HD2 HIS 27 -12.745 3.882 6.537
182 HE1 HIS 27 HE1 HIS 27 -13.145 0.802 9.428
183 H LEU 28 H LEU 28 -10.195 2.267 2.867
184 HA LEU 28 HA LEU 28 -7.492 1.565 2.526
185 HB2 LEU 28 1HB LEU 28 -9.002 0.470 1.132
186 HB3 LEU 28 2HB LEU 28 -9.793 1.970 0.654
187 HG LEU 28 HG LEU 28 -7.597 2.523 -0.549
188 HD11 LEU 28 1HD1 LEU 28 -7.089 -0.340 -0.884
189 HD12 LEU 28 2HD1 LEU 28 -6.681 0.292 0.710
190 HD13 LEU 28 3HD1 LEU 28 -5.961 1.007 -0.732
191 HD21 LEU 28 3HD2 LEU 28 -9.898 1.517 -1.422
192 HD22 LEU 28 1HD2 LEU 28 -8.848 0.159 -1.827
193 HD23 LEU 28 2HD2 LEU 28 -8.511 1.760 -2.485
194 H ALA 29 H ALA 29 -9.315 4.269 1.073
195 HA ALA 29 HA ALA 29 -7.240 5.553 -0.203
196 HB1 ALA 29 3HB ALA 29 -9.900 6.269 0.711
197 HB2 ALA 29 1HB ALA 29 -8.788 7.639 0.735
198 HB3 ALA 29 2HB ALA 29 -9.044 6.736 -0.759
199 H GLN 30 H GLN 30 -8.399 6.184 3.111
200 HA GLN 30 HA GLN 30 -6.454 8.090 3.768
201 HB2 GLN 30 1HB GLN 30 -8.606 7.522 5.019
202 HB3 GLN 30 2HB GLN 30 -7.710 6.193 5.744
203 HG2 GLN 30 1HG GLN 30 -7.585 7.914 7.308
204 HG3 GLN 30 2HG GLN 30 -6.025 7.946 6.488
205 HE21 GLN 30 1HE2 GLN 30 -5.407 9.744 5.437
206 HE22 GLN 30 2HE2 GLN 30 -6.361 11.179 5.305
207 H HIS 31 H HIS 31 -6.312 4.640 3.603
208 HA HIS 31 HA HIS 31 -3.975 4.354 5.247
209 HB2 HIS 31 1HB HIS 31 -5.189 2.387 5.208
210 HB3 HIS 31 2HB HIS 31 -5.594 2.546 3.502
211 HD1 HIS 31 HD1 HIS 31 -2.509 1.839 5.616
212 HD2 HIS 31 HD2 HIS 31 -4.137 0.921 1.905
213 HE1 HIS 31 HE1 HIS 31 -0.927 0.182 4.579
214 H GLN 32 H GLN 32 -4.624 4.366 1.758
215 HA GLN 32 HA GLN 32 -2.247 3.734 0.659
216 HB2 GLN 32 1HB GLN 32 -3.998 6.071 -0.118
217 HB3 GLN 32 2HB GLN 32 -2.721 5.405 -1.128
218 HG2 GLN 32 1HG GLN 32 -3.918 3.225 -1.089
219 HG3 GLN 32 2HG GLN 32 -5.239 4.023 -0.236
220 HE21 GLN 32 1HE2 GLN 32 -6.410 3.192 -2.154
221 HE22 GLN 32 2HE2 GLN 32 -6.473 4.196 -3.558
222 H LYS 33 H LYS 33 -3.000 6.740 2.323
223 HA LYS 33 HA LYS 33 -0.858 8.324 1.675
224 HB2 LYS 33 1HB LYS 33 -2.365 7.975 4.253
225 HB3 LYS 33 2HB LYS 33 -1.044 9.129 4.128
226 HG2 LYS 33 1HG LYS 33 -2.937 10.404 3.712
227 HG3 LYS 33 2HG LYS 33 -2.306 10.059 2.100
228 HD2 LYS 33 1HD LYS 33 -3.928 8.310 1.782
229 HD3 LYS 33 2HD LYS 33 -4.484 8.467 3.451
230 HE2 LYS 33 1HE LYS 33 -5.644 10.388 3.028
231 HE3 LYS 33 2HE LYS 33 -4.563 10.885 1.727
232 HZ1 LYS 33 3HZ LYS 33 -5.974 8.481 1.100
233 HZ2 LYS 33 1HZ LYS 33 -5.858 9.922 0.221
234 HZ3 LYS 33 2HZ LYS 33 -7.031 9.761 1.429
235 H THR 34 H THR 34 -0.968 5.852 4.231
236 HA THR 34 HA THR 34 1.602 6.160 5.230
237 HB THR 34 HB THR 34 -0.206 4.675 6.175
238 HG1 THR 34 HG1 THR 34 2.499 3.949 5.908
239 HG21 THR 34 3HG2 THR 34 0.284 3.289 3.691
240 HG22 THR 34 1HG2 THR 34 -1.009 3.055 4.867
241 HG23 THR 34 2HG2 THR 34 0.530 2.216 5.069
242 H HIS 35 H HIS 35 0.570 4.866 2.212
243 HA HIS 35 HA HIS 35 3.109 3.518 1.728
244 HB2 HIS 35 1HB HIS 35 0.514 3.690 0.218
245 HB3 HIS 35 2HB HIS 35 1.972 3.074 -0.553
246 HD1 HIS 35 HD1 HIS 35 3.126 1.334 1.656
247 HD2 HIS 35 HD2 HIS 35 -0.917 1.439 0.701
248 HE1 HIS 35 HE1 HIS 35 2.183 -0.847 2.480
249 H THR 36 H THR 36 4.741 4.364 0.595
250 HA THR 36 HA THR 36 5.009 7.042 0.049
251 HB THR 36 HB THR 36 6.374 4.794 -1.446
252 HG1 THR 36 HG1 THR 36 6.699 5.896 1.099
253 HG21 THR 36 3HG2 THR 36 7.050 6.594 -2.670
254 HG22 THR 36 1HG2 THR 36 8.208 6.732 -1.347
255 HG23 THR 36 2HG2 THR 36 6.757 7.735 -1.358
256 H GLY 37 H GLY 37 4.365 8.401 -1.509
257 HA2 GLY 37 1HA GLY 37 4.098 8.085 -4.174
258 HA3 GLY 37 2HA GLY 37 2.595 7.402 -3.571
259 H GLU 38 H GLU 38 4.542 10.258 -2.694
260 HA GLU 38 HA GLU 38 2.497 12.060 -3.606
261 HB2 GLU 38 1HB GLU 38 1.866 12.994 -1.500
262 HB3 GLU 38 2HB GLU 38 1.630 11.255 -1.393
263 HG2 GLU 38 1HG GLU 38 2.607 11.873 0.638
264 HG3 GLU 38 2HG GLU 38 3.913 11.154 -0.302
265 H LYS 39 H LYS 39 3.284 14.080 -3.966
266 HA LYS 39 HA LYS 39 5.752 14.951 -2.720
267 HB2 LYS 39 1HB LYS 39 6.403 13.553 -4.722
268 HB3 LYS 39 2HB LYS 39 5.611 14.758 -5.730
269 HG2 LYS 39 1HG LYS 39 7.235 16.321 -5.385
270 HG3 LYS 39 2HG LYS 39 7.666 15.683 -3.796
271 HD2 LYS 39 1HD LYS 39 9.488 15.022 -5.025
272 HD3 LYS 39 2HD LYS 39 8.450 13.605 -5.201
273 HE2 LYS 39 1HE LYS 39 7.765 14.273 -7.373
274 HE3 LYS 39 2HE LYS 39 8.482 15.872 -7.180
275 HZ1 LYS 39 3HZ LYS 39 10.628 15.006 -7.365
276 HZ2 LYS 39 1HZ LYS 39 9.753 14.189 -8.561
277 HZ3 LYS 39 2HZ LYS 39 10.122 13.412 -7.105
278 HA PRO 40 HA PRO 40 3.409 18.705 -3.095
279 HB2 PRO 40 1HB PRO 40 5.277 20.340 -1.997
280 HB3 PRO 40 2HB PRO 40 4.265 19.256 -1.035
281 HG2 PRO 40 1HG PRO 40 7.087 18.886 -1.965
282 HG3 PRO 40 2HG PRO 40 6.375 18.529 -0.381
283 HD2 PRO 40 1HD PRO 40 6.828 16.613 -2.240
284 HD3 PRO 40 2HD PRO 40 5.472 16.533 -1.096
285 H SER 41 H SER 41 3.666 20.846 -4.083
286 HA SER 41 HA SER 41 5.453 20.707 -6.409
287 HB2 SER 41 1HB SER 41 3.938 22.297 -7.476
288 HB3 SER 41 2HB SER 41 3.025 20.919 -6.863
289 HG SER 41 HG SER 41 3.335 23.106 -5.167
290 H GLY 42 H GLY 42 6.993 22.207 -6.778
291 HA2 GLY 42 1HA GLY 42 8.073 23.733 -4.747
292 HA3 GLY 42 2HA GLY 42 8.355 24.030 -6.456
293 HA PRO 43 HA PRO 43 6.391 27.928 -5.960
294 HB2 PRO 43 1HB PRO 43 5.722 28.413 -8.546
295 HB3 PRO 43 2HB PRO 43 7.382 28.514 -7.948
296 HG2 PRO 43 1HG PRO 43 6.035 26.288 -9.428
297 HG3 PRO 43 2HG PRO 43 7.661 26.959 -9.655
298 HD2 PRO 43 1HD PRO 43 7.210 24.661 -8.296
299 HD3 PRO 43 2HD PRO 43 8.535 25.768 -7.886
300 H SER 44 H SER 44 4.348 28.945 -6.004
301 HA SER 44 HA SER 44 2.140 27.217 -5.651
302 HB2 SER 44 1HB SER 44 0.815 29.349 -5.533
303 HB3 SER 44 2HB SER 44 2.208 29.306 -4.452
304 HG SER 44 HG SER 44 1.666 31.137 -6.223
305 H SER 45 H SER 45 0.862 26.315 -7.111
306 HA SER 45 HA SER 45 0.721 27.525 -9.795
307 HB2 SER 45 1HB SER 45 1.777 25.207 -9.541
308 HB3 SER 45 2HB SER 45 0.154 24.628 -9.168
309 HG SER 45 HG SER 45 0.945 25.972 -11.541
310 H GLY 46 H GLY 46 -1.348 26.932 -10.984
311 HA2 GLY 46 1HA GLY 46 -3.540 28.108 -9.894
312 HA3 GLY 46 2HA GLY 46 -3.652 26.847 -11.113
Start of MODEL 14
1 H1 GLY 1 H GLY 1 1.800 -27.342 0.001
2 HA2 GLY 1 1HA GLY 1 -0.012 -26.170 2.010
3 HA3 GLY 1 2HA GLY 1 0.850 -25.258 0.779
4 H SER 2 H SER 2 -1.735 -24.716 0.976
5 HA SER 2 HA SER 2 -2.771 -25.614 -1.561
6 HB2 SER 2 1HB SER 2 -4.394 -26.145 0.938
7 HB3 SER 2 2HB SER 2 -4.872 -26.496 -0.723
8 HG SER 2 HG SER 2 -3.452 -28.136 -0.804
9 H SER 3 H SER 3 -4.438 -24.292 -2.365
10 HA SER 3 HA SER 3 -4.797 -21.783 -0.863
11 HB2 SER 3 1HB SER 3 -5.120 -20.697 -3.070
12 HB3 SER 3 2HB SER 3 -3.532 -21.451 -2.922
13 HG SER 3 HG SER 3 -4.607 -23.320 -3.991
14 H GLY 4 H GLY 4 -6.810 -21.043 -0.462
15 HA2 GLY 4 1HA GLY 4 -9.134 -21.242 -1.785
16 HA3 GLY 4 2HA GLY 4 -9.022 -22.832 -1.045
17 H SER 5 H SER 5 -9.958 -19.612 -0.620
18 HA SER 5 HA SER 5 -10.763 -20.189 2.123
19 HB2 SER 5 1HB SER 5 -9.039 -17.840 1.324
20 HB3 SER 5 2HB SER 5 -9.972 -17.876 2.820
21 HG SER 5 HG SER 5 -8.792 -20.037 3.052
22 H SER 6 H SER 6 -12.879 -19.867 2.130
23 HA SER 6 HA SER 6 -13.982 -17.675 0.502
24 HB2 SER 6 1HB SER 6 -14.741 -19.967 -0.114
25 HB3 SER 6 2HB SER 6 -15.415 -20.146 1.506
26 HG SER 6 HG SER 6 -16.468 -17.973 0.774
27 H GLY 7 H GLY 7 -14.174 -15.948 1.804
28 HA2 GLY 7 1HA GLY 7 -15.136 -16.324 4.547
29 HA3 GLY 7 2HA GLY 7 -14.409 -14.861 3.900
30 H THR 8 H THR 8 -15.883 -13.307 4.133
31 HA THR 8 HA THR 8 -18.685 -13.893 3.492
32 HB THR 8 HB THR 8 -18.261 -12.854 5.682
33 HG1 THR 8 HG1 THR 8 -19.817 -11.207 5.424
34 HG21 THR 8 3HG2 THR 8 -16.287 -11.568 5.254
35 HG22 THR 8 1HG2 THR 8 -17.566 -10.444 5.713
36 HG23 THR 8 2HG2 THR 8 -17.109 -10.616 4.018
37 H GLY 9 H GLY 9 -16.747 -13.612 1.384
38 HA2 GLY 9 1HA GLY 9 -17.268 -12.720 -0.777
39 HA3 GLY 9 2HA GLY 9 -17.956 -11.308 0.012
40 H GLU 10 H GLU 10 -16.183 -11.040 -2.081
41 HA GLU 10 HA GLU 10 -13.596 -10.397 -0.879
42 HB2 GLU 10 1HB GLU 10 -14.580 -10.703 -3.693
43 HB3 GLU 10 2HB GLU 10 -13.109 -9.794 -3.377
44 HG2 GLU 10 1HG GLU 10 -13.594 -12.647 -2.554
45 HG3 GLU 10 2HG GLU 10 -12.671 -12.133 -3.964
46 H LYS 11 H LYS 11 -13.190 -8.418 -0.176
47 HA LYS 11 HA LYS 11 -14.984 -6.266 -0.452
48 HB2 LYS 11 1HB LYS 11 -12.227 -6.608 0.627
49 HB3 LYS 11 2HB LYS 11 -12.793 -4.972 0.319
50 HG2 LYS 11 1HG LYS 11 -13.277 -5.410 2.576
51 HG3 LYS 11 2HG LYS 11 -14.816 -5.544 1.721
52 HD2 LYS 11 1HD LYS 11 -14.611 -7.970 1.699
53 HD3 LYS 11 2HD LYS 11 -13.041 -7.859 2.498
54 HE2 LYS 11 1HE LYS 11 -13.959 -7.308 4.522
55 HE3 LYS 11 2HE LYS 11 -15.378 -6.556 3.796
56 HZ1 LYS 11 3HZ LYS 11 -15.364 -9.296 3.169
57 HZ2 LYS 11 1HZ LYS 11 -16.495 -8.428 4.080
58 HZ3 LYS 11 2HZ LYS 11 -15.155 -9.125 4.839
59 HA PRO 12 HA PRO 12 -13.895 -4.648 -4.407
60 HB2 PRO 12 1HB PRO 12 -14.902 -2.145 -4.101
61 HB3 PRO 12 2HB PRO 12 -15.922 -3.567 -4.348
62 HG2 PRO 12 1HG PRO 12 -15.238 -2.145 -1.804
63 HG3 PRO 12 2HG PRO 12 -16.803 -2.779 -2.345
64 HD2 PRO 12 1HD PRO 12 -15.234 -4.093 -0.573
65 HD3 PRO 12 2HD PRO 12 -16.285 -4.938 -1.728
66 H TYR 13 H TYR 13 -12.668 -3.474 -1.441
67 HA TYR 13 HA TYR 13 -10.786 -1.685 -2.820
68 HB2 TYR 13 1HB TYR 13 -11.215 -1.860 0.160
69 HB3 TYR 13 2HB TYR 13 -10.437 -0.569 -0.749
70 HD1 TYR 13 HD1 TYR 13 -11.881 0.837 -2.304
71 HD2 TYR 13 HD2 TYR 13 -13.515 -1.784 0.622
72 HE1 TYR 13 HE1 TYR 13 -14.019 2.047 -2.422
73 HE2 TYR 13 HE2 TYR 13 -15.657 -0.582 0.512
74 HH TYR 13 HH TYR 13 -16.113 2.160 -1.701
75 H GLU 14 H GLU 14 -8.842 -2.476 -3.232
76 HA GLU 14 HA GLU 14 -7.540 -4.196 -1.262
77 HB2 GLU 14 1HB GLU 14 -8.715 -5.568 -3.091
78 HB3 GLU 14 2HB GLU 14 -7.482 -4.943 -4.177
79 HG2 GLU 14 1HG GLU 14 -6.719 -7.048 -3.480
80 HG3 GLU 14 2HG GLU 14 -5.772 -5.870 -2.572
81 H CYS 15 H CYS 15 -5.504 -3.590 -0.927
82 HA CYS 15 HA CYS 15 -4.356 -1.487 -2.523
83 HB2 CYS 15 1HB CYS 15 -4.159 -1.654 -0.012
84 HB3 CYS 15 2HB CYS 15 -3.054 -3.002 -0.257
85 H LYS 16 H LYS 16 -2.052 -1.629 -3.242
86 HA LYS 16 HA LYS 16 -1.585 -4.236 -4.526
87 HB2 LYS 16 1HB LYS 16 -0.533 -3.112 -6.320
88 HB3 LYS 16 2HB LYS 16 -1.976 -2.173 -5.963
89 HG2 LYS 16 1HG LYS 16 -0.797 -0.390 -5.186
90 HG3 LYS 16 2HG LYS 16 0.551 -1.382 -4.627
91 HD2 LYS 16 1HD LYS 16 0.981 -1.819 -7.131
92 HD3 LYS 16 2HD LYS 16 -0.061 -0.419 -7.401
93 HE2 LYS 16 1HE LYS 16 2.353 -0.372 -5.600
94 HE3 LYS 16 2HE LYS 16 2.409 0.063 -7.307
95 HZ1 LYS 16 3HZ LYS 16 1.896 2.102 -6.621
96 HZ2 LYS 16 1HZ LYS 16 1.459 1.581 -5.072
97 HZ3 LYS 16 2HZ LYS 16 0.333 1.524 -6.332
98 H VAL 17 H VAL 17 -0.189 -1.761 -2.511
99 HA VAL 17 HA VAL 17 2.494 -2.746 -2.622
100 HB VAL 17 HB VAL 17 1.150 -0.914 -0.632
101 HG11 VAL 17 1HG1 VAL 17 3.607 -0.282 -0.178
102 HG12 VAL 17 2HG1 VAL 17 2.967 -1.754 0.556
103 HG13 VAL 17 3HG1 VAL 17 3.984 -1.854 -0.882
104 HG21 VAL 17 3HG2 VAL 17 3.074 -0.257 -2.858
105 HG22 VAL 17 1HG2 VAL 17 1.321 -0.109 -2.986
106 HG23 VAL 17 2HG2 VAL 17 2.207 0.878 -1.823
107 H CYS 18 H CYS 18 0.173 -2.674 0.090
108 HA CYS 18 HA CYS 18 1.588 -4.882 1.351
109 HB2 CYS 18 1HB CYS 18 0.166 -4.445 3.280
110 HB3 CYS 18 2HB CYS 18 0.884 -2.942 2.709
111 H SER 19 H SER 19 -1.202 -4.334 -0.566
112 HA SER 19 HA SER 19 -2.763 -5.743 -1.440
113 HB2 SER 19 1HB SER 19 -1.154 -7.958 -0.148
114 HB3 SER 19 2HB SER 19 -2.343 -8.139 -1.438
115 HG SER 19 HG SER 19 0.001 -8.022 -2.013
116 H LYS 20 H LYS 20 -3.417 -4.473 0.885
117 HA LYS 20 HA LYS 20 -4.795 -6.513 2.496
118 HB2 LYS 20 1HB LYS 20 -3.331 -5.064 3.793
119 HB3 LYS 20 2HB LYS 20 -4.122 -3.636 3.139
120 HG2 LYS 20 1HG LYS 20 -6.158 -4.164 4.288
121 HG3 LYS 20 2HG LYS 20 -5.504 -5.715 4.821
122 HD2 LYS 20 1HD LYS 20 -4.210 -3.099 5.542
123 HD3 LYS 20 2HD LYS 20 -5.504 -3.806 6.513
124 HE2 LYS 20 1HE LYS 20 -3.014 -5.326 5.785
125 HE3 LYS 20 2HE LYS 20 -3.113 -4.313 7.224
126 HZ1 LYS 20 3HZ LYS 20 -3.625 -6.725 7.562
127 HZ2 LYS 20 1HZ LYS 20 -5.035 -6.495 6.657
128 HZ3 LYS 20 2HZ LYS 20 -4.818 -5.659 8.111
129 H ALA 21 H ALA 21 -6.984 -6.498 2.716
130 HA ALA 21 HA ALA 21 -8.451 -4.723 0.906
131 HB1 ALA 21 3HB ALA 21 -8.867 -7.063 0.559
132 HB2 ALA 21 1HB ALA 21 -9.263 -7.289 2.263
133 HB3 ALA 21 2HB ALA 21 -10.320 -6.325 1.231
134 H PHE 22 H PHE 22 -10.472 -3.772 1.600
135 HA PHE 22 HA PHE 22 -10.784 -3.450 4.493
136 HB2 PHE 22 1HB PHE 22 -10.713 -1.106 2.584
137 HB3 PHE 22 2HB PHE 22 -10.927 -1.036 4.330
138 HD1 PHE 22 HD1 PHE 22 -8.514 -2.057 1.700
139 HD2 PHE 22 HD2 PHE 22 -9.088 -0.823 5.733
140 HE1 PHE 22 HE1 PHE 22 -6.078 -1.864 1.984
141 HE2 PHE 22 HE2 PHE 22 -6.653 -0.627 6.023
142 HZ PHE 22 HZ PHE 22 -5.144 -1.147 4.148
143 H THR 23 H THR 23 -12.868 -2.593 5.120
144 HA THR 23 HA THR 23 -14.977 -3.631 3.470
145 HB THR 23 HB THR 23 -16.482 -2.921 5.287
146 HG1 THR 23 HG1 THR 23 -15.726 -1.176 6.270
147 HG21 THR 23 3HG2 THR 23 -15.392 -4.267 7.128
148 HG22 THR 23 1HG2 THR 23 -13.975 -4.391 6.086
149 HG23 THR 23 2HG2 THR 23 -15.515 -5.075 5.565
150 H GLN 24 H GLN 24 -13.940 -0.416 4.536
151 HA GLN 24 HA GLN 24 -15.796 0.750 2.568
152 HB2 GLN 24 1HB GLN 24 -14.891 1.698 5.261
153 HB3 GLN 24 2HB GLN 24 -15.384 2.870 4.046
154 HG2 GLN 24 1HG GLN 24 -17.526 1.488 3.850
155 HG3 GLN 24 2HG GLN 24 -17.020 0.735 5.362
156 HE21 GLN 24 1HE2 GLN 24 -17.677 1.661 7.162
157 HE22 GLN 24 2HE2 GLN 24 -18.227 3.291 7.325
158 H LYS 25 H LYS 25 -15.051 2.801 1.587
159 HA LYS 25 HA LYS 25 -12.419 2.484 0.526
160 HB2 LYS 25 1HB LYS 25 -12.923 4.520 -0.755
161 HB3 LYS 25 2HB LYS 25 -14.232 3.351 -0.856
162 HG2 LYS 25 1HG LYS 25 -15.548 4.603 0.712
163 HG3 LYS 25 2HG LYS 25 -14.209 5.713 1.010
164 HD2 LYS 25 1HD LYS 25 -15.243 5.358 -1.771
165 HD3 LYS 25 2HD LYS 25 -16.131 6.377 -0.635
166 HE2 LYS 25 1HE LYS 25 -14.745 7.947 -1.532
167 HE3 LYS 25 2HE LYS 25 -13.715 7.379 -0.218
168 HZ1 LYS 25 3HZ LYS 25 -13.188 7.347 -2.964
169 HZ2 LYS 25 1HZ LYS 25 -13.289 5.739 -2.446
170 HZ3 LYS 25 2HZ LYS 25 -12.201 6.799 -1.703
171 H ALA 26 H ALA 26 -13.943 4.788 2.744
172 HA ALA 26 HA ALA 26 -11.991 6.662 3.075
173 HB1 ALA 26 3HB ALA 26 -14.238 6.520 4.234
174 HB2 ALA 26 1HB ALA 26 -13.451 5.481 5.422
175 HB3 ALA 26 2HB ALA 26 -12.899 7.141 5.199
176 H HIS 27 H HIS 27 -12.058 3.403 4.419
177 HA HIS 27 HA HIS 27 -9.770 3.716 6.076
178 HB2 HIS 27 1HB HIS 27 -11.665 1.868 6.027
179 HB3 HIS 27 2HB HIS 27 -10.521 1.044 4.971
180 HD1 HIS 27 HD1 HIS 27 -11.386 0.198 7.944
181 HD2 HIS 27 HD2 HIS 27 -7.835 2.027 6.799
182 HE1 HIS 27 HE1 HIS 27 -9.724 -0.375 9.742
183 H LEU 28 H LEU 28 -10.251 2.357 2.832
184 HA LEU 28 HA LEU 28 -7.586 1.563 2.408
185 HB2 LEU 28 1HB LEU 28 -9.306 0.692 1.010
186 HB3 LEU 28 2HB LEU 28 -9.793 2.308 0.503
187 HG LEU 28 HG LEU 28 -7.464 2.465 -0.563
188 HD11 LEU 28 1HD1 LEU 28 -6.220 0.565 -0.926
189 HD12 LEU 28 2HD1 LEU 28 -7.586 -0.515 -0.648
190 HD13 LEU 28 3HD1 LEU 28 -6.808 0.290 0.714
191 HD21 LEU 28 3HD2 LEU 28 -9.933 1.593 -1.492
192 HD22 LEU 28 1HD2 LEU 28 -8.780 0.415 -2.120
193 HD23 LEU 28 2HD2 LEU 28 -8.565 2.131 -2.468
194 H ALA 29 H ALA 29 -9.287 4.419 1.104
195 HA ALA 29 HA ALA 29 -7.131 5.692 -0.049
196 HB1 ALA 29 3HB ALA 29 -8.692 7.750 1.014
197 HB2 ALA 29 1HB ALA 29 -8.819 7.029 -0.590
198 HB3 ALA 29 2HB ALA 29 -9.805 6.410 0.736
199 H GLN 30 H GLN 30 -8.300 5.997 3.295
200 HA GLN 30 HA GLN 30 -6.431 7.904 4.145
201 HB2 GLN 30 1HB GLN 30 -8.132 5.874 5.534
202 HB3 GLN 30 2HB GLN 30 -6.899 6.730 6.451
203 HG2 GLN 30 1HG GLN 30 -9.172 7.976 4.921
204 HG3 GLN 30 2HG GLN 30 -9.044 7.822 6.673
205 HE21 GLN 30 1HE2 GLN 30 -7.281 8.960 7.721
206 HE22 GLN 30 2HE2 GLN 30 -6.719 10.448 7.048
207 H HIS 31 H HIS 31 -6.050 4.602 3.385
208 HA HIS 31 HA HIS 31 -3.613 4.326 4.968
209 HB2 HIS 31 1HB HIS 31 -4.811 2.338 5.088
210 HB3 HIS 31 2HB HIS 31 -5.337 2.434 3.410
211 HD1 HIS 31 HD1 HIS 31 -2.353 1.492 5.504
212 HD2 HIS 31 HD2 HIS 31 -3.686 1.190 1.580
213 HE1 HIS 31 HE1 HIS 31 -0.731 -0.053 4.360
214 H GLN 32 H GLN 32 -4.653 4.196 1.573
215 HA GLN 32 HA GLN 32 -2.354 3.649 0.256
216 HB2 GLN 32 1HB GLN 32 -4.621 5.489 -0.348
217 HB3 GLN 32 2HB GLN 32 -3.207 5.546 -1.392
218 HG2 GLN 32 1HG GLN 32 -3.460 3.258 -1.992
219 HG3 GLN 32 2HG GLN 32 -4.708 3.017 -0.770
220 HE21 GLN 32 1HE2 GLN 32 -4.609 2.764 -3.778
221 HE22 GLN 32 2HE2 GLN 32 -5.989 3.649 -4.322
222 H LYS 33 H LYS 33 -3.009 6.470 2.143
223 HA LYS 33 HA LYS 33 -0.788 7.984 1.073
224 HB2 LYS 33 1HB LYS 33 -1.497 9.745 2.428
225 HB3 LYS 33 2HB LYS 33 -2.998 8.925 2.020
226 HG2 LYS 33 1HG LYS 33 -3.149 7.931 4.158
227 HG3 LYS 33 2HG LYS 33 -1.491 8.384 4.562
228 HD2 LYS 33 1HD LYS 33 -2.807 9.940 5.711
229 HD3 LYS 33 2HD LYS 33 -2.285 10.805 4.264
230 HE2 LYS 33 1HE LYS 33 -4.485 10.010 3.225
231 HE3 LYS 33 2HE LYS 33 -4.972 9.607 4.871
232 HZ1 LYS 33 3HZ LYS 33 -5.366 11.991 3.743
233 HZ2 LYS 33 1HZ LYS 33 -3.886 12.270 4.514
234 HZ3 LYS 33 2HZ LYS 33 -5.224 11.757 5.412
235 H THR 34 H THR 34 -1.510 6.033 3.905
236 HA THR 34 HA THR 34 0.637 6.680 5.536
237 HB THR 34 HB THR 34 -1.373 5.009 5.885
238 HG1 THR 34 HG1 THR 34 -0.391 4.542 7.759
239 HG21 THR 34 3HG2 THR 34 0.828 3.024 5.398
240 HG22 THR 34 1HG2 THR 34 -0.317 3.453 4.128
241 HG23 THR 34 2HG2 THR 34 -0.895 2.731 5.629
242 H HIS 35 H HIS 35 0.515 4.623 2.702
243 HA HIS 35 HA HIS 35 3.000 3.336 3.031
244 HB2 HIS 35 1HB HIS 35 1.139 3.815 0.754
245 HB3 HIS 35 2HB HIS 35 2.783 3.311 0.375
246 HD1 HIS 35 HD1 HIS 35 3.135 1.322 2.771
247 HD2 HIS 35 HD2 HIS 35 -0.133 1.447 0.209
248 HE1 HIS 35 HE1 HIS 35 2.110 -0.971 2.878
249 H THR 36 H THR 36 4.811 3.675 1.345
250 HA THR 36 HA THR 36 5.420 6.557 1.202
251 HB THR 36 HB THR 36 7.403 4.303 1.572
252 HG1 THR 36 HG1 THR 36 5.921 5.042 3.398
253 HG21 THR 36 3HG2 THR 36 7.698 7.295 1.401
254 HG22 THR 36 1HG2 THR 36 8.484 6.065 0.412
255 HG23 THR 36 2HG2 THR 36 8.934 6.255 2.106
256 H GLY 37 H GLY 37 5.883 7.369 -0.747
257 HA2 GLY 37 1HA GLY 37 7.323 6.141 -2.781
258 HA3 GLY 37 2HA GLY 37 5.630 5.777 -3.082
259 H GLU 38 H GLU 38 7.961 7.727 -4.076
260 HA GLU 38 HA GLU 38 6.281 10.129 -4.263
261 HB2 GLU 38 1HB GLU 38 9.241 9.722 -4.697
262 HB3 GLU 38 2HB GLU 38 8.405 11.227 -5.054
263 HG2 GLU 38 1HG GLU 38 7.962 11.657 -2.808
264 HG3 GLU 38 2HG GLU 38 8.271 9.988 -2.333
265 H LYS 39 H LYS 39 5.808 7.740 -5.843
266 HA LYS 39 HA LYS 39 6.777 7.677 -8.390
267 HB2 LYS 39 1HB LYS 39 4.857 6.509 -9.011
268 HB3 LYS 39 2HB LYS 39 4.930 6.252 -7.272
269 HG2 LYS 39 1HG LYS 39 3.276 8.422 -8.532
270 HG3 LYS 39 2HG LYS 39 2.664 6.795 -8.222
271 HD2 LYS 39 1HD LYS 39 3.151 7.062 -5.842
272 HD3 LYS 39 2HD LYS 39 3.785 8.681 -6.148
273 HE2 LYS 39 1HE LYS 39 1.674 9.533 -6.675
274 HE3 LYS 39 2HE LYS 39 0.993 7.930 -6.944
275 HZ1 LYS 39 3HZ LYS 39 1.725 9.159 -4.346
276 HZ2 LYS 39 1HZ LYS 39 1.322 7.525 -4.522
277 HZ3 LYS 39 2HZ LYS 39 0.180 8.721 -4.879
278 HA PRO 40 HA PRO 40 5.735 11.411 -10.451
279 HB2 PRO 40 1HB PRO 40 5.358 10.515 -12.986
280 HB3 PRO 40 2HB PRO 40 6.954 10.623 -12.233
281 HG2 PRO 40 1HG PRO 40 5.174 8.239 -12.565
282 HG3 PRO 40 2HG PRO 40 6.926 8.369 -12.802
283 HD2 PRO 40 1HD PRO 40 5.833 7.315 -10.560
284 HD3 PRO 40 2HD PRO 40 7.370 8.203 -10.547
285 H SER 41 H SER 41 4.064 12.373 -11.968
286 HA SER 41 HA SER 41 1.420 11.247 -11.322
287 HB2 SER 41 1HB SER 41 2.097 14.131 -11.947
288 HB3 SER 41 2HB SER 41 0.541 13.507 -11.399
289 HG SER 41 HG SER 41 2.810 13.019 -9.834
290 H GLY 42 H GLY 42 1.563 9.888 -13.219
291 HA2 GLY 42 1HA GLY 42 1.013 9.377 -15.387
292 HA3 GLY 42 2HA GLY 42 0.200 10.935 -15.436
293 HA PRO 43 HA PRO 43 4.380 10.778 -17.842
294 HB2 PRO 43 1HB PRO 43 3.594 9.799 -20.249
295 HB3 PRO 43 2HB PRO 43 4.213 8.773 -18.950
296 HG2 PRO 43 1HG PRO 43 1.380 9.305 -19.757
297 HG3 PRO 43 2HG PRO 43 2.146 7.770 -19.309
298 HD2 PRO 43 1HD PRO 43 0.611 9.188 -17.588
299 HD3 PRO 43 2HD PRO 43 1.988 8.204 -17.051
300 H SER 44 H SER 44 1.141 11.787 -18.342
301 HA SER 44 HA SER 44 2.025 14.263 -19.521
302 HB2 SER 44 1HB SER 44 1.821 12.852 -21.523
303 HB3 SER 44 2HB SER 44 0.162 12.453 -21.079
304 HG SER 44 HG SER 44 -0.123 14.859 -21.126
305 H SER 45 H SER 45 0.539 15.926 -19.286
306 HA SER 45 HA SER 45 -1.167 17.074 -18.313
307 HB2 SER 45 1HB SER 45 -2.530 15.809 -19.942
308 HB3 SER 45 2HB SER 45 -2.718 14.511 -18.762
309 HG SER 45 HG SER 45 -3.473 16.564 -17.451
310 H GLY 46 H GLY 46 0.552 16.288 -16.480
311 HA2 GLY 46 1HA GLY 46 -1.141 15.289 -14.274
312 HA3 GLY 46 2HA GLY 46 0.542 14.815 -14.444
Start of MODEL 15
1 H1 GLY 1 H GLY 1 -7.812 -33.466 7.278
2 HA2 GLY 1 1HA GLY 1 -10.105 -33.151 5.785
3 HA3 GLY 1 2HA GLY 1 -10.475 -32.434 7.347
4 H SER 2 H SER 2 -9.146 -31.904 4.312
5 HA SER 2 HA SER 2 -7.135 -30.037 4.762
6 HB2 SER 2 1HB SER 2 -9.148 -30.239 2.514
7 HB3 SER 2 2HB SER 2 -7.779 -29.128 2.497
8 HG SER 2 HG SER 2 -7.846 -31.865 2.143
9 H SER 3 H SER 3 -7.300 -27.656 4.272
10 HA SER 3 HA SER 3 -9.757 -26.502 5.412
11 HB2 SER 3 1HB SER 3 -8.006 -26.519 7.136
12 HB3 SER 3 2HB SER 3 -6.918 -25.659 6.048
13 HG SER 3 HG SER 3 -7.844 -24.124 7.324
14 H GLY 4 H GLY 4 -10.681 -25.185 3.998
15 HA2 GLY 4 1HA GLY 4 -8.955 -23.798 2.044
16 HA3 GLY 4 2HA GLY 4 -10.619 -24.273 1.736
17 H SER 5 H SER 5 -11.584 -22.360 1.347
18 HA SER 5 HA SER 5 -12.629 -20.392 1.833
19 HB2 SER 5 1HB SER 5 -12.958 -21.488 4.103
20 HB3 SER 5 2HB SER 5 -11.527 -20.606 4.638
21 HG SER 5 HG SER 5 -12.586 -18.701 4.342
22 H SER 6 H SER 6 -10.132 -20.356 0.642
23 HA SER 6 HA SER 6 -8.065 -18.933 1.620
24 HB2 SER 6 1HB SER 6 -9.396 -18.721 -1.078
25 HB3 SER 6 2HB SER 6 -7.915 -17.842 -0.699
26 HG SER 6 HG SER 6 -7.670 -20.406 0.053
27 H GLY 7 H GLY 7 -10.888 -17.357 0.098
28 HA2 GLY 7 1HA GLY 7 -10.203 -14.916 1.606
29 HA3 GLY 7 2HA GLY 7 -11.096 -14.942 0.093
30 H THR 8 H THR 8 -12.136 -13.508 2.112
31 HA THR 8 HA THR 8 -14.557 -15.016 2.734
32 HB THR 8 HB THR 8 -14.588 -14.172 5.069
33 HG1 THR 8 HG1 THR 8 -11.836 -13.569 4.667
34 HG21 THR 8 3HG2 THR 8 -12.183 -15.870 4.393
35 HG22 THR 8 1HG2 THR 8 -13.835 -16.456 4.587
36 HG23 THR 8 2HG2 THR 8 -12.973 -15.774 5.966
37 H GLY 9 H GLY 9 -16.353 -13.629 3.400
38 HA2 GLY 9 1HA GLY 9 -17.724 -11.838 2.954
39 HA3 GLY 9 2HA GLY 9 -16.367 -10.875 3.520
40 H GLU 10 H GLU 10 -17.304 -9.327 1.942
41 HA GLU 10 HA GLU 10 -16.150 -9.811 -0.722
42 HB2 GLU 10 1HB GLU 10 -18.884 -8.864 0.006
43 HB3 GLU 10 2HB GLU 10 -18.123 -8.190 -1.429
44 HG2 GLU 10 1HG GLU 10 -18.397 -11.144 -0.962
45 HG3 GLU 10 2HG GLU 10 -19.621 -10.181 -1.788
46 H LYS 11 H LYS 11 -14.301 -8.658 0.066
47 HA LYS 11 HA LYS 11 -14.733 -5.773 0.446
48 HB2 LYS 11 1HB LYS 11 -12.449 -7.576 1.248
49 HB3 LYS 11 2HB LYS 11 -12.357 -5.821 1.328
50 HG2 LYS 11 1HG LYS 11 -12.898 -6.589 3.498
51 HG3 LYS 11 2HG LYS 11 -14.368 -5.880 2.826
52 HD2 LYS 11 1HD LYS 11 -15.222 -8.083 2.288
53 HD3 LYS 11 2HD LYS 11 -13.722 -8.828 2.844
54 HE2 LYS 11 1HE LYS 11 -15.123 -9.109 4.664
55 HE3 LYS 11 2HE LYS 11 -14.250 -7.636 5.082
56 HZ1 LYS 11 3HZ LYS 11 -17.041 -7.946 4.198
57 HZ2 LYS 11 1HZ LYS 11 -16.236 -6.480 3.944
58 HZ3 LYS 11 2HZ LYS 11 -16.428 -7.078 5.514
59 HA PRO 12 HA PRO 12 -13.056 -5.961 -3.810
60 HB2 PRO 12 1HB PRO 12 -14.317 -3.698 -4.624
61 HB3 PRO 12 2HB PRO 12 -15.098 -5.283 -4.617
62 HG2 PRO 12 1HG PRO 12 -15.298 -3.063 -2.619
63 HG3 PRO 12 2HG PRO 12 -16.582 -4.094 -3.279
64 HD2 PRO 12 1HD PRO 12 -15.484 -4.517 -0.840
65 HD3 PRO 12 2HD PRO 12 -16.082 -5.841 -1.861
66 H TYR 13 H TYR 13 -12.653 -3.954 -1.151
67 HA TYR 13 HA TYR 13 -10.953 -2.024 -2.521
68 HB2 TYR 13 1HB TYR 13 -11.507 -2.217 0.441
69 HB3 TYR 13 2HB TYR 13 -10.872 -0.834 -0.442
70 HD1 TYR 13 HD1 TYR 13 -13.117 -1.781 -2.702
71 HD2 TYR 13 HD2 TYR 13 -13.099 -0.392 1.319
72 HE1 TYR 13 HE1 TYR 13 -15.402 -0.920 -2.996
73 HE2 TYR 13 HE2 TYR 13 -15.384 0.473 1.037
74 HH TYR 13 HH TYR 13 -17.346 -0.345 -1.606
75 H GLU 14 H GLU 14 -9.309 -3.493 -3.189
76 HA GLU 14 HA GLU 14 -7.614 -4.499 -1.002
77 HB2 GLU 14 1HB GLU 14 -8.611 -6.065 -2.835
78 HB3 GLU 14 2HB GLU 14 -7.342 -5.395 -3.850
79 HG2 GLU 14 1HG GLU 14 -5.813 -6.055 -1.825
80 HG3 GLU 14 2HG GLU 14 -7.133 -7.169 -1.475
81 H CYS 15 H CYS 15 -5.717 -3.550 -0.678
82 HA CYS 15 HA CYS 15 -4.865 -1.332 -2.208
83 HB2 CYS 15 1HB CYS 15 -4.378 -1.899 0.266
84 HB3 CYS 15 2HB CYS 15 -3.060 -2.881 -0.365
85 H LYS 16 H LYS 16 -2.655 -1.146 -3.169
86 HA LYS 16 HA LYS 16 -2.128 -3.501 -4.846
87 HB2 LYS 16 1HB LYS 16 -1.549 -0.567 -5.260
88 HB3 LYS 16 2HB LYS 16 -0.916 -1.829 -6.309
89 HG2 LYS 16 1HG LYS 16 -3.854 -1.610 -5.797
90 HG3 LYS 16 2HG LYS 16 -3.064 -0.584 -6.996
91 HD2 LYS 16 1HD LYS 16 -2.129 -2.694 -8.014
92 HD3 LYS 16 2HD LYS 16 -3.205 -3.593 -6.941
93 HE2 LYS 16 1HE LYS 16 -4.239 -1.441 -8.759
94 HE3 LYS 16 2HE LYS 16 -4.008 -3.092 -9.330
95 HZ1 LYS 16 3HZ LYS 16 -5.758 -3.835 -8.157
96 HZ2 LYS 16 1HZ LYS 16 -6.258 -2.220 -8.215
97 HZ3 LYS 16 2HZ LYS 16 -5.471 -2.813 -6.840
98 H VAL 17 H VAL 17 -0.776 -1.468 -2.421
99 HA VAL 17 HA VAL 17 1.959 -2.288 -2.929
100 HB VAL 17 HB VAL 17 0.750 -0.638 -0.707
101 HG11 VAL 17 1HG1 VAL 17 2.629 -1.589 0.295
102 HG12 VAL 17 2HG1 VAL 17 3.567 -1.541 -1.199
103 HG13 VAL 17 3HG1 VAL 17 3.222 -0.049 -0.324
104 HG21 VAL 17 3HG2 VAL 17 1.303 1.221 -1.887
105 HG22 VAL 17 1HG2 VAL 17 2.705 0.460 -2.639
106 HG23 VAL 17 2HG2 VAL 17 1.085 0.121 -3.248
107 H CYS 18 H CYS 18 0.016 -2.377 0.058
108 HA CYS 18 HA CYS 18 1.473 -4.710 0.959
109 HB2 CYS 18 1HB CYS 18 0.181 -4.447 3.032
110 HB3 CYS 18 2HB CYS 18 0.935 -2.929 2.553
111 H SER 19 H SER 19 -1.353 -4.091 -0.797
112 HA SER 19 HA SER 19 -3.010 -5.421 -1.609
113 HB2 SER 19 1HB SER 19 -0.980 -7.461 -0.752
114 HB3 SER 19 2HB SER 19 -2.561 -7.980 -1.338
115 HG SER 19 HG SER 19 -2.121 -6.719 -3.243
116 H LYS 20 H LYS 20 -3.521 -4.295 0.818
117 HA LYS 20 HA LYS 20 -4.654 -6.395 2.512
118 HB2 LYS 20 1HB LYS 20 -3.278 -4.378 3.377
119 HB3 LYS 20 2HB LYS 20 -4.747 -3.450 3.108
120 HG2 LYS 20 1HG LYS 20 -5.949 -4.708 4.705
121 HG3 LYS 20 2HG LYS 20 -4.681 -5.933 4.799
122 HD2 LYS 20 1HD LYS 20 -4.192 -3.062 5.547
123 HD3 LYS 20 2HD LYS 20 -4.813 -4.241 6.705
124 HE2 LYS 20 1HE LYS 20 -2.792 -5.674 5.977
125 HE3 LYS 20 2HE LYS 20 -2.154 -4.168 5.322
126 HZ1 LYS 20 3HZ LYS 20 -3.026 -3.601 7.886
127 HZ2 LYS 20 1HZ LYS 20 -1.426 -3.700 7.345
128 HZ3 LYS 20 2HZ LYS 20 -2.183 -5.063 8.002
129 H ALA 21 H ALA 21 -6.843 -6.470 3.060
130 HA ALA 21 HA ALA 21 -8.608 -5.204 1.091
131 HB1 ALA 21 3HB ALA 21 -8.893 -7.542 1.100
132 HB2 ALA 21 1HB ALA 21 -8.932 -7.611 2.862
133 HB3 ALA 21 2HB ALA 21 -10.279 -6.894 1.977
134 H PHE 22 H PHE 22 -10.471 -4.084 1.696
135 HA PHE 22 HA PHE 22 -10.795 -3.461 4.542
136 HB2 PHE 22 1HB PHE 22 -10.733 -1.346 2.380
137 HB3 PHE 22 2HB PHE 22 -10.948 -1.080 4.107
138 HD1 PHE 22 HD1 PHE 22 -8.542 -2.174 1.530
139 HD2 PHE 22 HD2 PHE 22 -9.098 -0.914 5.558
140 HE1 PHE 22 HE1 PHE 22 -6.106 -1.942 1.791
141 HE2 PHE 22 HE2 PHE 22 -6.664 -0.679 5.824
142 HZ PHE 22 HZ PHE 22 -5.164 -1.193 3.939
143 H THR 23 H THR 23 -12.829 -1.842 4.646
144 HA THR 23 HA THR 23 -14.943 -3.111 3.029
145 HB THR 23 HB THR 23 -16.484 -2.725 4.916
146 HG1 THR 23 HG1 THR 23 -14.246 -1.430 5.922
147 HG21 THR 23 3HG2 THR 23 -15.344 -4.885 4.717
148 HG22 THR 23 1HG2 THR 23 -15.603 -4.456 6.407
149 HG23 THR 23 2HG2 THR 23 -14.004 -4.271 5.685
150 H GLN 24 H GLN 24 -13.714 -0.138 4.420
151 HA GLN 24 HA GLN 24 -15.740 1.369 2.905
152 HB2 GLN 24 1HB GLN 24 -14.147 2.219 5.329
153 HB3 GLN 24 2HB GLN 24 -15.285 3.239 4.457
154 HG2 GLN 24 1HG GLN 24 -15.909 0.736 6.004
155 HG3 GLN 24 2HG GLN 24 -16.340 2.391 6.430
156 HE21 GLN 24 1HE2 GLN 24 -17.611 -0.356 5.371
157 HE22 GLN 24 2HE2 GLN 24 -18.900 0.238 4.386
158 H LYS 25 H LYS 25 -15.048 2.401 1.163
159 HA LYS 25 HA LYS 25 -12.528 2.361 0.118
160 HB2 LYS 25 1HB LYS 25 -14.873 4.152 -0.258
161 HB3 LYS 25 2HB LYS 25 -13.341 4.675 -0.945
162 HG2 LYS 25 1HG LYS 25 -14.645 2.018 -1.496
163 HG3 LYS 25 2HG LYS 25 -14.764 3.438 -2.537
164 HD2 LYS 25 1HD LYS 25 -12.127 3.341 -2.369
165 HD3 LYS 25 2HD LYS 25 -12.448 1.640 -2.021
166 HE2 LYS 25 1HE LYS 25 -13.654 3.042 -4.389
167 HE3 LYS 25 2HE LYS 25 -12.059 2.295 -4.460
168 HZ1 LYS 25 3HZ LYS 25 -13.417 0.609 -5.183
169 HZ2 LYS 25 1HZ LYS 25 -14.690 1.020 -4.146
170 HZ3 LYS 25 2HZ LYS 25 -13.315 0.248 -3.533
171 H ALA 26 H ALA 26 -13.776 4.506 2.563
172 HA ALA 26 HA ALA 26 -11.813 6.517 2.442
173 HB1 ALA 26 3HB ALA 26 -14.048 6.444 3.744
174 HB2 ALA 26 1HB ALA 26 -13.089 5.694 5.020
175 HB3 ALA 26 2HB ALA 26 -12.678 7.309 4.441
176 H HIS 27 H HIS 27 -11.964 3.487 4.275
177 HA HIS 27 HA HIS 27 -9.572 3.877 5.726
178 HB2 HIS 27 1HB HIS 27 -11.098 1.381 4.981
179 HB3 HIS 27 2HB HIS 27 -9.669 1.359 6.010
180 HD1 HIS 27 HD1 HIS 27 -12.702 0.614 6.808
181 HD2 HIS 27 HD2 HIS 27 -10.622 4.077 7.779
182 HE1 HIS 27 HE1 HIS 27 -13.827 1.519 8.867
183 H LEU 28 H LEU 28 -10.261 2.470 2.578
184 HA LEU 28 HA LEU 28 -7.687 1.361 2.145
185 HB2 LEU 28 1HB LEU 28 -9.404 0.497 0.815
186 HB3 LEU 28 2HB LEU 28 -9.974 2.100 0.355
187 HG LEU 28 HG LEU 28 -7.742 2.311 -0.903
188 HD11 LEU 28 1HD1 LEU 28 -6.356 0.606 -0.395
189 HD12 LEU 28 2HD1 LEU 28 -7.238 -0.206 -1.688
190 HD13 LEU 28 3HD1 LEU 28 -7.675 -0.497 -0.004
191 HD21 LEU 28 3HD2 LEU 28 -9.220 2.139 -2.552
192 HD22 LEU 28 1HD2 LEU 28 -10.256 1.084 -1.589
193 HD23 LEU 28 2HD2 LEU 28 -8.942 0.397 -2.545
194 H ALA 29 H ALA 29 -9.206 4.336 0.898
195 HA ALA 29 HA ALA 29 -6.867 5.313 -0.353
196 HB1 ALA 29 3HB ALA 29 -9.571 6.275 0.163
197 HB2 ALA 29 1HB ALA 29 -8.357 7.554 0.170
198 HB3 ALA 29 2HB ALA 29 -8.531 6.511 -1.241
199 H GLN 30 H GLN 30 -8.358 6.024 2.792
200 HA GLN 30 HA GLN 30 -6.520 7.981 3.609
201 HB2 GLN 30 1HB GLN 30 -7.450 7.767 5.772
202 HB3 GLN 30 2HB GLN 30 -8.765 7.420 4.658
203 HG2 GLN 30 1HG GLN 30 -9.040 5.746 6.183
204 HG3 GLN 30 2HG GLN 30 -8.008 4.944 5.000
205 HE21 GLN 30 1HE2 GLN 30 -8.289 6.121 8.210
206 HE22 GLN 30 2HE2 GLN 30 -6.756 5.571 8.783
207 H HIS 31 H HIS 31 -6.295 4.540 3.465
208 HA HIS 31 HA HIS 31 -4.162 4.266 5.356
209 HB2 HIS 31 1HB HIS 31 -5.240 2.253 5.127
210 HB3 HIS 31 2HB HIS 31 -5.545 2.489 3.408
211 HD1 HIS 31 HD1 HIS 31 -2.658 1.637 5.722
212 HD2 HIS 31 HD2 HIS 31 -3.855 1.120 1.777
213 HE1 HIS 31 HE1 HIS 31 -0.941 0.116 4.692
214 H GLN 32 H GLN 32 -4.331 4.200 1.800
215 HA GLN 32 HA GLN 32 -1.826 3.725 1.013
216 HB2 GLN 32 1HB GLN 32 -3.504 6.048 0.050
217 HB3 GLN 32 2HB GLN 32 -2.117 5.386 -0.805
218 HG2 GLN 32 1HG GLN 32 -3.438 3.152 -0.669
219 HG3 GLN 32 2HG GLN 32 -4.823 4.206 -0.390
220 HE21 GLN 32 1HE2 GLN 32 -5.276 2.912 -2.482
221 HE22 GLN 32 2HE2 GLN 32 -4.880 3.733 -3.950
222 H LYS 33 H LYS 33 -2.890 6.743 2.509
223 HA LYS 33 HA LYS 33 -0.813 8.429 2.216
224 HB2 LYS 33 1HB LYS 33 -2.443 7.795 4.660
225 HB3 LYS 33 2HB LYS 33 -1.190 9.029 4.710
226 HG2 LYS 33 1HG LYS 33 -2.430 9.952 2.601
227 HG3 LYS 33 2HG LYS 33 -3.782 9.015 3.243
228 HD2 LYS 33 1HD LYS 33 -3.513 10.195 5.406
229 HD3 LYS 33 2HD LYS 33 -2.247 11.185 4.675
230 HE2 LYS 33 1HE LYS 33 -3.747 12.271 3.262
231 HE3 LYS 33 2HE LYS 33 -4.968 11.012 3.433
232 HZ1 LYS 33 3HZ LYS 33 -5.862 12.535 4.816
233 HZ2 LYS 33 1HZ LYS 33 -4.381 13.277 5.165
234 HZ3 LYS 33 2HZ LYS 33 -4.808 11.834 5.938
235 H THR 34 H THR 34 -0.898 5.804 4.619
236 HA THR 34 HA THR 34 1.543 6.172 5.825
237 HB THR 34 HB THR 34 1.570 3.766 6.307
238 HG1 THR 34 HG1 THR 34 0.800 2.563 4.739
239 HG21 THR 34 3HG2 THR 34 0.161 4.639 7.854
240 HG22 THR 34 1HG2 THR 34 -1.041 3.705 6.965
241 HG23 THR 34 2HG2 THR 34 -0.850 5.428 6.644
242 H HIS 35 H HIS 35 0.874 4.332 2.857
243 HA HIS 35 HA HIS 35 3.477 3.446 2.367
244 HB2 HIS 35 1HB HIS 35 1.189 4.050 0.493
245 HB3 HIS 35 2HB HIS 35 2.708 3.347 -0.054
246 HD1 HIS 35 HD1 HIS 35 3.150 1.326 2.249
247 HD2 HIS 35 HD2 HIS 35 -0.454 1.884 0.259
248 HE1 HIS 35 HE1 HIS 35 1.871 -0.816 2.562
249 H THR 36 H THR 36 1.811 6.315 1.065
250 HA THR 36 HA THR 36 3.612 7.441 -0.559
251 HB THR 36 HB THR 36 2.239 8.991 1.645
252 HG1 THR 36 HG1 THR 36 1.362 8.082 -0.901
253 HG21 THR 36 3HG2 THR 36 3.071 10.832 0.709
254 HG22 THR 36 1HG2 THR 36 2.430 10.358 -0.864
255 HG23 THR 36 2HG2 THR 36 4.035 9.822 -0.368
256 H GLY 37 H GLY 37 3.849 7.454 2.977
257 HA2 GLY 37 1HA GLY 37 6.552 8.606 2.731
258 HA3 GLY 37 2HA GLY 37 5.556 8.673 4.178
259 H GLU 38 H GLU 38 6.520 7.532 5.720
260 HA GLU 38 HA GLU 38 7.351 4.787 5.090
261 HB2 GLU 38 1HB GLU 38 9.371 6.182 5.139
262 HB3 GLU 38 2HB GLU 38 8.944 6.751 6.747
263 HG2 GLU 38 1HG GLU 38 10.654 5.053 6.879
264 HG3 GLU 38 2HG GLU 38 9.158 4.475 7.610
265 H LYS 39 H LYS 39 6.490 3.346 6.429
266 HA LYS 39 HA LYS 39 6.228 3.697 9.218
267 HB2 LYS 39 1HB LYS 39 4.317 5.132 8.083
268 HB3 LYS 39 2HB LYS 39 3.524 3.567 7.955
269 HG2 LYS 39 1HG LYS 39 3.506 3.280 10.303
270 HG3 LYS 39 2HG LYS 39 4.602 4.642 10.546
271 HD2 LYS 39 1HD LYS 39 2.804 6.097 9.515
272 HD3 LYS 39 2HD LYS 39 1.727 4.706 9.656
273 HE2 LYS 39 1HE LYS 39 2.214 4.646 12.090
274 HE3 LYS 39 2HE LYS 39 3.163 6.119 11.901
275 HZ1 LYS 39 3HZ LYS 39 1.152 6.975 12.506
276 HZ2 LYS 39 1HZ LYS 39 0.259 5.749 11.757
277 HZ3 LYS 39 2HZ LYS 39 0.958 6.975 10.826
278 HA PRO 40 HA PRO 40 6.096 -0.688 8.790
279 HB2 PRO 40 1HB PRO 40 5.420 -1.324 11.341
280 HB3 PRO 40 2HB PRO 40 7.034 -0.765 10.886
281 HG2 PRO 40 1HG PRO 40 4.769 0.772 12.099
282 HG3 PRO 40 2HG PRO 40 6.495 0.821 12.500
283 HD2 PRO 40 1HD PRO 40 5.304 2.700 10.956
284 HD3 PRO 40 2HD PRO 40 6.996 2.210 10.730
285 H SER 41 H SER 41 4.523 -1.745 7.769
286 HA SER 41 HA SER 41 1.790 -1.125 7.952
287 HB2 SER 41 1HB SER 41 3.159 -2.426 6.118
288 HB3 SER 41 2HB SER 41 2.690 -3.840 7.061
289 HG SER 41 HG SER 41 1.109 -3.502 5.543
290 H GLY 42 H GLY 42 0.480 -1.470 9.613
291 HA2 GLY 42 1HA GLY 42 0.835 -3.956 11.171
292 HA3 GLY 42 2HA GLY 42 0.449 -2.420 11.932
293 HA PRO 43 HA PRO 43 -3.375 -4.857 10.285
294 HB2 PRO 43 1HB PRO 43 -3.912 -6.510 12.370
295 HB3 PRO 43 2HB PRO 43 -2.913 -6.993 10.995
296 HG2 PRO 43 1HG PRO 43 -2.071 -6.049 13.708
297 HG3 PRO 43 2HG PRO 43 -1.421 -7.382 12.735
298 HD2 PRO 43 1HD PRO 43 -0.211 -4.964 12.888
299 HD3 PRO 43 2HD PRO 43 -0.148 -5.973 11.429
300 H SER 44 H SER 44 -4.548 -2.991 10.556
301 HA SER 44 HA SER 44 -5.508 -2.434 13.287
302 HB2 SER 44 1HB SER 44 -5.643 -0.107 12.761
303 HB3 SER 44 2HB SER 44 -4.053 -0.649 12.224
304 HG SER 44 HG SER 44 -4.825 -0.713 10.116
305 H SER 45 H SER 45 -7.655 -2.394 13.630
306 HA SER 45 HA SER 45 -9.398 -3.430 11.633
307 HB2 SER 45 1HB SER 45 -9.681 -2.542 14.467
308 HB3 SER 45 2HB SER 45 -11.145 -2.666 13.491
309 HG SER 45 HG SER 45 -10.891 -4.793 13.341
310 H GLY 46 H GLY 46 -11.628 -2.296 11.340
311 HA2 GLY 46 1HA GLY 46 -11.054 0.474 10.500
312 HA3 GLY 46 2HA GLY 46 -12.200 -0.594 9.704
Start of MODEL 16
1 H1 GLY 1 H GLY 1 1.931 -13.144 -22.478
2 HA2 GLY 1 1HA GLY 1 0.209 -14.669 -22.476
3 HA3 GLY 1 2HA GLY 1 1.440 -15.797 -23.026
4 H SER 2 H SER 2 -0.676 -14.961 -20.516
5 HA SER 2 HA SER 2 -0.121 -17.340 -19.070
6 HB2 SER 2 1HB SER 2 1.718 -15.581 -18.387
7 HB3 SER 2 2HB SER 2 0.420 -14.914 -17.398
8 HG SER 2 HG SER 2 1.905 -16.689 -16.543
9 H SER 3 H SER 3 -1.831 -17.915 -17.823
10 HA SER 3 HA SER 3 -3.952 -15.900 -17.460
11 HB2 SER 3 1HB SER 3 -4.290 -18.861 -17.999
12 HB3 SER 3 2HB SER 3 -5.598 -17.707 -17.739
13 HG SER 3 HG SER 3 -3.690 -17.575 -19.838
14 H GLY 4 H GLY 4 -3.554 -15.348 -15.357
15 HA2 GLY 4 1HA GLY 4 -4.164 -17.416 -13.377
16 HA3 GLY 4 2HA GLY 4 -2.638 -16.560 -13.210
17 H SER 5 H SER 5 -5.140 -16.680 -11.536
18 HA SER 5 HA SER 5 -5.267 -13.826 -11.007
19 HB2 SER 5 1HB SER 5 -7.667 -13.669 -11.091
20 HB3 SER 5 2HB SER 5 -7.121 -14.326 -12.634
21 HG SER 5 HG SER 5 -8.782 -15.612 -11.998
22 H SER 6 H SER 6 -5.291 -13.440 -8.884
23 HA SER 6 HA SER 6 -5.965 -15.676 -7.087
24 HB2 SER 6 1HB SER 6 -3.794 -13.617 -6.988
25 HB3 SER 6 2HB SER 6 -4.423 -14.272 -5.476
26 HG SER 6 HG SER 6 -3.133 -15.629 -7.589
27 H GLY 7 H GLY 7 -6.554 -14.873 -4.819
28 HA2 GLY 7 1HA GLY 7 -8.010 -12.332 -4.866
29 HA3 GLY 7 2HA GLY 7 -8.934 -13.797 -4.570
30 H THR 8 H THR 8 -6.753 -11.474 -3.252
31 HA THR 8 HA THR 8 -6.259 -12.934 -0.813
32 HB THR 8 HB THR 8 -5.747 -10.001 -1.321
33 HG1 THR 8 HG1 THR 8 -4.264 -12.310 -2.024
34 HG21 THR 8 3HG2 THR 8 -5.325 -10.217 0.906
35 HG22 THR 8 1HG2 THR 8 -3.774 -10.793 0.298
36 HG23 THR 8 2HG2 THR 8 -5.012 -11.948 0.791
37 H GLY 9 H GLY 9 -8.999 -12.715 -1.284
38 HA2 GLY 9 1HA GLY 9 -10.346 -12.360 0.861
39 HA3 GLY 9 2HA GLY 9 -9.872 -10.680 0.663
40 H GLU 10 H GLU 10 -12.437 -10.905 0.819
41 HA GLU 10 HA GLU 10 -13.406 -10.805 -1.961
42 HB2 GLU 10 1HB GLU 10 -14.237 -12.789 -0.636
43 HB3 GLU 10 2HB GLU 10 -15.066 -11.649 0.415
44 HG2 GLU 10 1HG GLU 10 -16.498 -12.672 -1.340
45 HG3 GLU 10 2HG GLU 10 -16.467 -10.909 -1.355
46 H LYS 11 H LYS 11 -12.717 -8.513 -1.639
47 HA LYS 11 HA LYS 11 -14.997 -6.967 -0.655
48 HB2 LYS 11 1HB LYS 11 -12.130 -6.593 0.185
49 HB3 LYS 11 2HB LYS 11 -13.293 -5.276 0.260
50 HG2 LYS 11 1HG LYS 11 -13.508 -6.062 2.373
51 HG3 LYS 11 2HG LYS 11 -14.702 -7.092 1.580
52 HD2 LYS 11 1HD LYS 11 -12.981 -8.845 1.334
53 HD3 LYS 11 2HD LYS 11 -11.838 -7.817 2.203
54 HE2 LYS 11 1HE LYS 11 -12.797 -9.457 3.708
55 HE3 LYS 11 2HE LYS 11 -13.334 -7.838 4.155
56 HZ1 LYS 11 3HZ LYS 11 -15.160 -9.403 4.226
57 HZ2 LYS 11 1HZ LYS 11 -14.909 -9.825 2.607
58 HZ3 LYS 11 2HZ LYS 11 -15.424 -8.264 3.004
59 HA PRO 12 HA PRO 12 -14.496 -4.684 -4.372
60 HB2 PRO 12 1HB PRO 12 -15.431 -2.250 -3.616
61 HB3 PRO 12 2HB PRO 12 -16.483 -3.649 -3.861
62 HG2 PRO 12 1HG PRO 12 -15.391 -2.523 -1.311
63 HG3 PRO 12 2HG PRO 12 -17.026 -3.113 -1.664
64 HD2 PRO 12 1HD PRO 12 -15.195 -4.601 -0.334
65 HD3 PRO 12 2HD PRO 12 -16.422 -5.321 -1.396
66 H TYR 13 H TYR 13 -13.015 -3.521 -1.435
67 HA TYR 13 HA TYR 13 -11.141 -1.902 -3.031
68 HB2 TYR 13 1HB TYR 13 -11.703 -1.653 -0.071
69 HB3 TYR 13 2HB TYR 13 -10.731 -0.568 -1.059
70 HD1 TYR 13 HD1 TYR 13 -11.818 0.941 -2.680
71 HD2 TYR 13 HD2 TYR 13 -14.095 -1.498 -0.040
72 HE1 TYR 13 HE1 TYR 13 -13.805 2.317 -3.132
73 HE2 TYR 13 HE2 TYR 13 -16.089 -0.130 -0.486
74 HH TYR 13 HH TYR 13 -16.789 1.878 -1.346
75 H GLU 14 H GLU 14 -9.176 -2.714 -3.266
76 HA GLU 14 HA GLU 14 -7.968 -4.233 -1.078
77 HB2 GLU 14 1HB GLU 14 -9.073 -5.769 -2.816
78 HB3 GLU 14 2HB GLU 14 -7.794 -5.251 -3.906
79 HG2 GLU 14 1HG GLU 14 -6.162 -6.018 -2.127
80 HG3 GLU 14 2HG GLU 14 -7.539 -6.792 -1.345
81 H CYS 15 H CYS 15 -5.993 -3.504 -0.679
82 HA CYS 15 HA CYS 15 -4.759 -1.544 -2.329
83 HB2 CYS 15 1HB CYS 15 -4.555 -1.737 0.189
84 HB3 CYS 15 2HB CYS 15 -3.451 -3.080 -0.083
85 H LYS 16 H LYS 16 -2.464 -1.729 -3.066
86 HA LYS 16 HA LYS 16 -2.027 -4.364 -4.307
87 HB2 LYS 16 1HB LYS 16 -2.455 -2.174 -5.695
88 HB3 LYS 16 2HB LYS 16 -0.762 -1.856 -5.342
89 HG2 LYS 16 1HG LYS 16 -0.154 -3.997 -6.369
90 HG3 LYS 16 2HG LYS 16 -1.854 -4.286 -6.747
91 HD2 LYS 16 1HD LYS 16 -0.883 -3.428 -8.725
92 HD3 LYS 16 2HD LYS 16 -1.803 -2.097 -8.021
93 HE2 LYS 16 1HE LYS 16 0.154 -1.017 -8.503
94 HE3 LYS 16 2HE LYS 16 0.504 -1.565 -6.864
95 HZ1 LYS 16 3HZ LYS 16 2.204 -1.967 -8.767
96 HZ2 LYS 16 1HZ LYS 16 1.215 -3.290 -9.132
97 HZ3 LYS 16 2HZ LYS 16 1.937 -3.170 -7.608
98 H VAL 17 H VAL 17 -0.517 -1.702 -2.584
99 HA VAL 17 HA VAL 17 2.146 -2.625 -2.709
100 HB VAL 17 HB VAL 17 0.822 -0.914 -0.600
101 HG11 VAL 17 1HG1 VAL 17 2.913 -1.944 0.182
102 HG12 VAL 17 2HG1 VAL 17 3.754 -1.268 -1.215
103 HG13 VAL 17 3HG1 VAL 17 3.059 -0.196 0.001
104 HG21 VAL 17 3HG2 VAL 17 0.611 0.261 -2.604
105 HG22 VAL 17 1HG2 VAL 17 2.105 0.892 -1.910
106 HG23 VAL 17 2HG2 VAL 17 2.169 -0.300 -3.208
107 H CYS 18 H CYS 18 -0.225 -2.851 -0.051
108 HA CYS 18 HA CYS 18 1.315 -5.125 1.009
109 HB2 CYS 18 1HB CYS 18 0.228 -4.623 3.180
110 HB3 CYS 18 2HB CYS 18 1.195 -3.279 2.581
111 H SER 19 H SER 19 -0.865 -5.011 -1.095
112 HA SER 19 HA SER 19 -2.889 -6.003 -1.590
113 HB2 SER 19 1HB SER 19 -1.049 -7.786 -1.635
114 HB3 SER 19 2HB SER 19 -1.698 -8.334 -0.090
115 HG SER 19 HG SER 19 -2.515 -9.201 -2.288
116 H LYS 20 H LYS 20 -2.889 -4.580 0.972
117 HA LYS 20 HA LYS 20 -4.427 -6.184 2.806
118 HB2 LYS 20 1HB LYS 20 -2.904 -4.416 3.604
119 HB3 LYS 20 2HB LYS 20 -3.893 -3.207 2.794
120 HG2 LYS 20 1HG LYS 20 -5.627 -3.419 4.308
121 HG3 LYS 20 2HG LYS 20 -5.114 -5.027 4.825
122 HD2 LYS 20 1HD LYS 20 -3.537 -2.512 5.354
123 HD3 LYS 20 2HD LYS 20 -4.698 -3.200 6.492
124 HE2 LYS 20 1HE LYS 20 -3.378 -5.331 6.398
125 HE3 LYS 20 2HE LYS 20 -2.161 -4.461 5.465
126 HZ1 LYS 20 3HZ LYS 20 -1.870 -2.943 7.315
127 HZ2 LYS 20 1HZ LYS 20 -1.607 -4.536 7.819
128 HZ3 LYS 20 2HZ LYS 20 -3.055 -3.755 8.208
129 H ALA 21 H ALA 21 -6.544 -6.512 2.714
130 HA ALA 21 HA ALA 21 -8.158 -4.896 0.894
131 HB1 ALA 21 3HB ALA 21 -8.553 -7.134 0.459
132 HB2 ALA 21 1HB ALA 21 -8.508 -7.580 2.165
133 HB3 ALA 21 2HB ALA 21 -9.900 -6.713 1.516
134 H PHE 22 H PHE 22 -9.960 -3.747 1.514
135 HA PHE 22 HA PHE 22 -10.444 -3.519 4.409
136 HB2 PHE 22 1HB PHE 22 -10.408 -1.257 2.400
137 HB3 PHE 22 2HB PHE 22 -10.832 -1.104 4.101
138 HD1 PHE 22 HD1 PHE 22 -8.081 -1.875 1.766
139 HD2 PHE 22 HD2 PHE 22 -9.172 -0.902 5.763
140 HE1 PHE 22 HE1 PHE 22 -5.714 -1.491 2.315
141 HE2 PHE 22 HE2 PHE 22 -6.807 -0.515 6.318
142 HZ PHE 22 HZ PHE 22 -5.074 -0.809 4.593
143 H THR 23 H THR 23 -12.591 -2.631 4.949
144 HA THR 23 HA THR 23 -14.611 -3.870 3.282
145 HB THR 23 HB THR 23 -14.782 -4.223 5.671
146 HG1 THR 23 HG1 THR 23 -16.854 -2.409 4.970
147 HG21 THR 23 3HG2 THR 23 -14.649 -1.239 5.761
148 HG22 THR 23 1HG2 THR 23 -13.815 -2.430 6.759
149 HG23 THR 23 2HG2 THR 23 -15.528 -2.106 7.020
150 H GLN 24 H GLN 24 -13.498 -0.670 4.102
151 HA GLN 24 HA GLN 24 -15.563 0.451 2.327
152 HB2 GLN 24 1HB GLN 24 -14.593 1.382 4.989
153 HB3 GLN 24 2HB GLN 24 -15.045 2.594 3.798
154 HG2 GLN 24 1HG GLN 24 -16.853 0.343 4.630
155 HG3 GLN 24 2HG GLN 24 -16.844 1.924 5.409
156 HE21 GLN 24 1HE2 GLN 24 -18.433 3.157 4.740
157 HE22 GLN 24 2HE2 GLN 24 -19.077 3.221 3.138
158 H LYS 25 H LYS 25 -14.841 2.766 1.618
159 HA LYS 25 HA LYS 25 -12.274 2.429 0.317
160 HB2 LYS 25 1HB LYS 25 -12.891 4.369 -0.998
161 HB3 LYS 25 2HB LYS 25 -14.241 3.243 -0.941
162 HG2 LYS 25 1HG LYS 25 -15.360 5.176 -0.550
163 HG3 LYS 25 2HG LYS 25 -14.943 4.757 1.113
164 HD2 LYS 25 1HD LYS 25 -14.309 6.978 1.002
165 HD3 LYS 25 2HD LYS 25 -12.794 6.147 0.642
166 HE2 LYS 25 1HE LYS 25 -12.913 6.656 -1.626
167 HE3 LYS 25 2HE LYS 25 -14.646 6.974 -1.562
168 HZ1 LYS 25 3HZ LYS 25 -13.261 8.995 -1.769
169 HZ2 LYS 25 1HZ LYS 25 -12.598 8.672 -0.247
170 HZ3 LYS 25 2HZ LYS 25 -14.249 9.002 -0.396
171 H ALA 26 H ALA 26 -13.789 4.648 2.618
172 HA ALA 26 HA ALA 26 -11.867 6.587 2.867
173 HB1 ALA 26 3HB ALA 26 -14.118 6.329 4.083
174 HB2 ALA 26 1HB ALA 26 -13.194 5.452 5.302
175 HB3 ALA 26 2HB ALA 26 -12.796 7.130 4.932
176 H HIS 27 H HIS 27 -11.874 3.353 4.284
177 HA HIS 27 HA HIS 27 -9.598 3.689 5.921
178 HB2 HIS 27 1HB HIS 27 -11.141 1.368 4.869
179 HB3 HIS 27 2HB HIS 27 -9.528 1.057 5.503
180 HD1 HIS 27 HD1 HIS 27 -9.321 0.845 7.980
181 HD2 HIS 27 HD2 HIS 27 -12.914 2.594 6.841
182 HE1 HIS 27 HE1 HIS 27 -10.670 1.048 10.093
183 H LEU 28 H LEU 28 -9.993 2.462 2.619
184 HA LEU 28 HA LEU 28 -7.247 1.838 2.242
185 HB2 LEU 28 1HB LEU 28 -8.930 0.779 0.890
186 HB3 LEU 28 2HB LEU 28 -9.477 2.339 0.279
187 HG LEU 28 HG LEU 28 -7.054 2.508 -0.669
188 HD11 LEU 28 1HD1 LEU 28 -6.829 0.068 0.590
189 HD12 LEU 28 2HD1 LEU 28 -5.751 0.701 -0.654
190 HD13 LEU 28 3HD1 LEU 28 -7.082 -0.365 -1.101
191 HD21 LEU 28 3HD2 LEU 28 -9.343 2.156 -1.837
192 HD22 LEU 28 1HD2 LEU 28 -8.793 0.492 -2.032
193 HD23 LEU 28 2HD2 LEU 28 -7.857 1.817 -2.726
194 H ALA 29 H ALA 29 -9.235 4.482 0.899
195 HA ALA 29 HA ALA 29 -7.257 5.936 -0.337
196 HB1 ALA 29 3HB ALA 29 -8.930 7.873 0.749
197 HB2 ALA 29 1HB ALA 29 -9.100 7.082 -0.818
198 HB3 ALA 29 2HB ALA 29 -9.944 6.439 0.591
199 H GLN 30 H GLN 30 -8.240 6.068 3.066
200 HA GLN 30 HA GLN 30 -6.396 8.137 3.751
201 HB2 GLN 30 1HB GLN 30 -8.478 7.680 5.023
202 HB3 GLN 30 2HB GLN 30 -7.785 6.157 5.563
203 HG2 GLN 30 1HG GLN 30 -7.544 7.756 7.311
204 HG3 GLN 30 2HG GLN 30 -5.949 7.432 6.634
205 HE21 GLN 30 1HE2 GLN 30 -4.818 9.055 5.697
206 HE22 GLN 30 2HE2 GLN 30 -5.354 10.696 5.636
207 H HIS 31 H HIS 31 -6.325 4.631 3.781
208 HA HIS 31 HA HIS 31 -4.002 4.302 5.345
209 HB2 HIS 31 1HB HIS 31 -5.132 2.312 5.117
210 HB3 HIS 31 2HB HIS 31 -5.534 2.609 3.429
211 HD1 HIS 31 HD1 HIS 31 -2.246 2.116 5.302
212 HD2 HIS 31 HD2 HIS 31 -4.239 0.816 1.896
213 HE1 HIS 31 HE1 HIS 31 -0.680 0.498 4.183
214 H GLN 32 H GLN 32 -4.462 4.480 1.825
215 HA GLN 32 HA GLN 32 -1.972 4.001 0.874
216 HB2 GLN 32 1HB GLN 32 -3.960 6.103 0.037
217 HB3 GLN 32 2HB GLN 32 -2.467 5.828 -0.850
218 HG2 GLN 32 1HG GLN 32 -3.139 3.483 -1.197
219 HG3 GLN 32 2HG GLN 32 -4.664 3.827 -0.383
220 HE21 GLN 32 1HE2 GLN 32 -6.191 3.822 -1.872
221 HE22 GLN 32 2HE2 GLN 32 -6.133 4.651 -3.386
222 H LYS 33 H LYS 33 -3.077 7.034 2.332
223 HA LYS 33 HA LYS 33 -0.966 8.699 1.898
224 HB2 LYS 33 1HB LYS 33 -2.788 8.332 4.242
225 HB3 LYS 33 2HB LYS 33 -1.450 9.466 4.369
226 HG2 LYS 33 1HG LYS 33 -3.044 10.886 3.616
227 HG3 LYS 33 2HG LYS 33 -2.442 10.310 2.060
228 HD2 LYS 33 1HD LYS 33 -4.245 8.522 2.199
229 HD3 LYS 33 2HD LYS 33 -4.924 9.459 3.532
230 HE2 LYS 33 1HE LYS 33 -4.344 10.657 0.835
231 HE3 LYS 33 2HE LYS 33 -5.885 9.892 1.221
232 HZ1 LYS 33 3HZ LYS 33 -5.108 11.768 3.221
233 HZ2 LYS 33 1HZ LYS 33 -6.542 11.684 2.326
234 HZ3 LYS 33 2HZ LYS 33 -5.200 12.498 1.697
235 H THR 34 H THR 34 -1.149 6.092 4.274
236 HA THR 34 HA THR 34 1.246 6.617 5.631
237 HB THR 34 HB THR 34 1.170 4.315 6.403
238 HG1 THR 34 HG1 THR 34 0.359 3.661 4.122
239 HG21 THR 34 3HG2 THR 34 -0.908 6.182 6.677
240 HG22 THR 34 1HG2 THR 34 -0.515 4.849 7.761
241 HG23 THR 34 2HG2 THR 34 -1.689 4.615 6.466
242 H HIS 35 H HIS 35 0.590 4.850 2.659
243 HA HIS 35 HA HIS 35 3.149 3.683 2.370
244 HB2 HIS 35 1HB HIS 35 0.882 4.255 0.488
245 HB3 HIS 35 2HB HIS 35 2.421 3.666 -0.134
246 HD1 HIS 35 HD1 HIS 35 3.076 1.598 2.065
247 HD2 HIS 35 HD2 HIS 35 -0.642 2.006 0.254
248 HE1 HIS 35 HE1 HIS 35 1.940 -0.627 2.352
249 H THR 36 H THR 36 1.727 6.641 1.003
250 HA THR 36 HA THR 36 4.330 7.435 -0.046
251 HB THR 36 HB THR 36 2.346 7.739 -1.478
252 HG1 THR 36 HG1 THR 36 3.118 10.359 -0.858
253 HG21 THR 36 3HG2 THR 36 0.941 9.845 -0.756
254 HG22 THR 36 1HG2 THR 36 1.429 9.346 0.863
255 HG23 THR 36 2HG2 THR 36 0.522 8.237 -0.166
256 H GLY 37 H GLY 37 4.069 7.323 2.794
257 HA2 GLY 37 1HA GLY 37 4.170 8.650 4.706
258 HA3 GLY 37 2HA GLY 37 5.409 9.430 3.734
259 H GLU 38 H GLU 38 5.154 11.516 3.239
260 HA GLU 38 HA GLU 38 2.470 12.675 3.240
261 HB2 GLU 38 1HB GLU 38 3.137 14.520 4.682
262 HB3 GLU 38 2HB GLU 38 3.335 12.988 5.521
263 HG2 GLU 38 1HG GLU 38 5.679 13.057 5.307
264 HG3 GLU 38 2HG GLU 38 5.608 14.364 4.126
265 H LYS 39 H LYS 39 2.218 14.417 1.888
266 HA LYS 39 HA LYS 39 3.497 14.699 -0.420
267 HB2 LYS 39 1HB LYS 39 1.537 16.075 0.472
268 HB3 LYS 39 2HB LYS 39 2.743 17.183 1.114
269 HG2 LYS 39 1HG LYS 39 2.055 18.085 -0.946
270 HG3 LYS 39 2HG LYS 39 3.642 17.370 -1.237
271 HD2 LYS 39 1HD LYS 39 2.275 15.270 -1.933
272 HD3 LYS 39 2HD LYS 39 0.943 16.415 -2.108
273 HE2 LYS 39 1HE LYS 39 2.588 17.790 -3.527
274 HE3 LYS 39 2HE LYS 39 3.548 16.313 -3.593
275 HZ1 LYS 39 3HZ LYS 39 2.166 16.350 -5.498
276 HZ2 LYS 39 1HZ LYS 39 0.784 16.709 -4.590
277 HZ3 LYS 39 2HZ LYS 39 1.512 15.188 -4.457
278 HA PRO 40 HA PRO 40 7.657 15.675 1.136
279 HB2 PRO 40 1HB PRO 40 8.923 14.758 -1.084
280 HB3 PRO 40 2HB PRO 40 8.388 13.697 0.224
281 HG2 PRO 40 1HG PRO 40 7.077 14.273 -2.405
282 HG3 PRO 40 2HG PRO 40 7.277 12.721 -1.571
283 HD2 PRO 40 1HD PRO 40 4.956 14.113 -1.521
284 HD3 PRO 40 2HD PRO 40 5.494 13.105 -0.163
285 H SER 41 H SER 41 7.969 17.824 1.061
286 HA SER 41 HA SER 41 7.993 19.974 0.209
287 HB2 SER 41 1HB SER 41 10.299 19.138 -0.034
288 HB3 SER 41 2HB SER 41 9.911 18.544 -1.648
289 HG SER 41 HG SER 41 10.495 20.463 -2.265
290 H GLY 42 H GLY 42 5.741 18.709 -0.787
291 HA2 GLY 42 1HA GLY 42 5.705 19.380 -3.651
292 HA3 GLY 42 2HA GLY 42 4.523 18.378 -2.823
293 HA PRO 43 HA PRO 43 3.385 23.055 -3.016
294 HB2 PRO 43 1HB PRO 43 2.085 23.185 -5.396
295 HB3 PRO 43 2HB PRO 43 3.809 23.533 -5.223
296 HG2 PRO 43 1HG PRO 43 2.467 21.026 -6.160
297 HG3 PRO 43 2HG PRO 43 3.894 21.846 -6.821
298 HD2 PRO 43 1HD PRO 43 4.075 19.669 -5.220
299 HD3 PRO 43 2HD PRO 43 5.300 20.954 -5.227
300 H SER 44 H SER 44 2.066 20.038 -2.971
301 HA SER 44 HA SER 44 0.010 19.155 -2.520
302 HB2 SER 44 1HB SER 44 -1.282 20.341 -0.826
303 HB3 SER 44 2HB SER 44 0.437 20.458 -0.453
304 HG SER 44 HG SER 44 -1.256 22.437 -1.560
305 H SER 45 H SER 45 0.178 20.305 -5.065
306 HA SER 45 HA SER 45 -2.203 21.890 -5.507
307 HB2 SER 45 1HB SER 45 -0.344 20.650 -7.549
308 HB3 SER 45 2HB SER 45 -1.527 21.926 -7.837
309 HG SER 45 HG SER 45 0.155 22.586 -5.824
310 H GLY 46 H GLY 46 -4.162 21.114 -5.938
311 HA2 GLY 46 1HA GLY 46 -4.873 18.450 -5.768
312 HA3 GLY 46 2HA GLY 46 -5.847 19.682 -6.558
Start of MODEL 17
1 H1 GLY 1 H GLY 1 1.260 -23.184 -1.952
2 HA2 GLY 1 1HA GLY 1 1.671 -26.029 -2.569
3 HA3 GLY 1 2HA GLY 1 2.568 -25.308 -1.241
4 H SER 2 H SER 2 1.505 -24.767 0.667
5 HA SER 2 HA SER 2 -0.974 -26.229 1.087
6 HB2 SER 2 1HB SER 2 -0.562 -25.795 3.481
7 HB3 SER 2 2HB SER 2 0.843 -26.524 2.705
8 HG SER 2 HG SER 2 0.468 -23.888 3.603
9 H SER 3 H SER 3 -2.347 -24.808 -0.122
10 HA SER 3 HA SER 3 -2.972 -22.306 1.308
11 HB2 SER 3 1HB SER 3 -2.063 -22.211 -1.134
12 HB3 SER 3 2HB SER 3 -3.684 -22.741 -1.579
13 HG SER 3 HG SER 3 -4.253 -20.742 -1.359
14 H GLY 4 H GLY 4 -4.449 -23.382 2.681
15 HA2 GLY 4 1HA GLY 4 -6.890 -24.343 1.320
16 HA3 GLY 4 2HA GLY 4 -6.340 -24.940 2.879
17 H SER 5 H SER 5 -5.718 -22.561 4.157
18 HA SER 5 HA SER 5 -8.302 -21.718 4.990
19 HB2 SER 5 1HB SER 5 -5.523 -20.735 5.650
20 HB3 SER 5 2HB SER 5 -6.976 -20.046 6.372
21 HG SER 5 HG SER 5 -6.771 -22.807 6.454
22 H SER 6 H SER 6 -9.566 -20.309 3.996
23 HA SER 6 HA SER 6 -8.424 -17.879 2.864
24 HB2 SER 6 1HB SER 6 -8.637 -19.745 1.073
25 HB3 SER 6 2HB SER 6 -10.371 -19.442 1.185
26 HG SER 6 HG SER 6 -8.376 -17.514 0.576
27 H GLY 7 H GLY 7 -10.016 -16.216 2.463
28 HA2 GLY 7 1HA GLY 7 -12.189 -16.365 4.389
29 HA3 GLY 7 2HA GLY 7 -11.654 -14.930 3.526
30 H THR 8 H THR 8 -14.204 -14.979 3.595
31 HA THR 8 HA THR 8 -15.082 -16.127 1.026
32 HB THR 8 HB THR 8 -16.784 -15.761 3.499
33 HG1 THR 8 HG1 THR 8 -15.488 -17.560 3.767
34 HG21 THR 8 3HG2 THR 8 -18.120 -15.442 1.529
35 HG22 THR 8 1HG2 THR 8 -18.459 -17.051 2.165
36 HG23 THR 8 2HG2 THR 8 -17.411 -16.861 0.760
37 H GLY 9 H GLY 9 -15.531 -14.606 -0.420
38 HA2 GLY 9 1HA GLY 9 -16.817 -12.765 -1.191
39 HA3 GLY 9 2HA GLY 9 -16.905 -12.169 0.460
40 H GLU 10 H GLU 10 -15.499 -11.706 -2.511
41 HA GLU 10 HA GLU 10 -12.972 -10.660 -1.571
42 HB2 GLU 10 1HB GLU 10 -14.258 -10.537 -4.304
43 HB3 GLU 10 2HB GLU 10 -12.613 -10.040 -3.932
44 HG2 GLU 10 1HG GLU 10 -12.197 -12.396 -3.155
45 HG3 GLU 10 2HG GLU 10 -13.765 -12.812 -3.844
46 H LYS 11 H LYS 11 -12.530 -8.610 -1.055
47 HA LYS 11 HA LYS 11 -14.681 -6.701 -0.928
48 HB2 LYS 11 1HB LYS 11 -11.816 -6.727 -0.038
49 HB3 LYS 11 2HB LYS 11 -12.718 -5.218 -0.061
50 HG2 LYS 11 1HG LYS 11 -14.420 -6.278 1.403
51 HG3 LYS 11 2HG LYS 11 -13.381 -7.701 1.507
52 HD2 LYS 11 1HD LYS 11 -11.587 -5.878 2.204
53 HD3 LYS 11 2HD LYS 11 -13.036 -4.996 2.693
54 HE2 LYS 11 1HE LYS 11 -12.245 -7.766 3.589
55 HE3 LYS 11 2HE LYS 11 -12.134 -6.292 4.549
56 HZ1 LYS 11 3HZ LYS 11 -14.438 -6.134 4.706
57 HZ2 LYS 11 1HZ LYS 11 -14.142 -7.787 4.908
58 HZ3 LYS 11 2HZ LYS 11 -14.709 -7.205 3.425
59 HA PRO 12 HA PRO 12 -13.930 -4.634 -4.742
60 HB2 PRO 12 1HB PRO 12 -15.024 -2.222 -4.144
61 HB3 PRO 12 2HB PRO 12 -15.994 -3.667 -4.451
62 HG2 PRO 12 1HG PRO 12 -15.197 -2.441 -1.839
63 HG3 PRO 12 2HG PRO 12 -16.766 -3.104 -2.332
64 HD2 PRO 12 1HD PRO 12 -15.019 -4.487 -0.794
65 HD3 PRO 12 2HD PRO 12 -16.109 -5.279 -1.949
66 H TYR 13 H TYR 13 -12.667 -3.508 -1.729
67 HA TYR 13 HA TYR 13 -10.813 -1.712 -3.150
68 HB2 TYR 13 1HB TYR 13 -11.518 -1.691 -0.209
69 HB3 TYR 13 2HB TYR 13 -10.512 -0.521 -1.055
70 HD1 TYR 13 HD1 TYR 13 -11.528 1.097 -2.608
71 HD2 TYR 13 HD2 TYR 13 -13.914 -1.591 -0.330
72 HE1 TYR 13 HE1 TYR 13 -13.514 2.469 -3.079
73 HE2 TYR 13 HE2 TYR 13 -15.906 -0.227 -0.796
74 HH TYR 13 HH TYR 13 -16.514 1.505 -2.843
75 H GLU 14 H GLU 14 -8.901 -2.613 -3.495
76 HA GLU 14 HA GLU 14 -7.666 -4.169 -1.332
77 HB2 GLU 14 1HB GLU 14 -8.581 -5.723 -3.033
78 HB3 GLU 14 2HB GLU 14 -7.594 -4.935 -4.255
79 HG2 GLU 14 1HG GLU 14 -6.258 -6.030 -1.837
80 HG3 GLU 14 2HG GLU 14 -6.813 -7.147 -3.083
81 H CYS 15 H CYS 15 -5.673 -3.516 -0.852
82 HA CYS 15 HA CYS 15 -4.457 -1.406 -2.394
83 HB2 CYS 15 1HB CYS 15 -4.412 -1.361 0.066
84 HB3 CYS 15 2HB CYS 15 -3.467 -2.847 0.076
85 H LYS 16 H LYS 16 -2.647 -1.501 -3.635
86 HA LYS 16 HA LYS 16 -1.662 -4.188 -4.285
87 HB2 LYS 16 1HB LYS 16 -1.527 -1.587 -5.818
88 HB3 LYS 16 2HB LYS 16 -0.753 -3.077 -6.342
89 HG2 LYS 16 1HG LYS 16 -3.021 -4.151 -6.309
90 HG3 LYS 16 2HG LYS 16 -3.696 -2.541 -6.044
91 HD2 LYS 16 1HD LYS 16 -1.801 -2.910 -8.306
92 HD3 LYS 16 2HD LYS 16 -3.431 -3.566 -8.474
93 HE2 LYS 16 1HE LYS 16 -3.133 -0.781 -7.478
94 HE3 LYS 16 2HE LYS 16 -2.835 -1.085 -9.189
95 HZ1 LYS 16 3HZ LYS 16 -5.193 -0.483 -8.472
96 HZ2 LYS 16 1HZ LYS 16 -5.291 -2.061 -7.872
97 HZ3 LYS 16 2HZ LYS 16 -5.006 -1.799 -9.518
98 H VAL 17 H VAL 17 -0.815 -2.538 -1.959
99 HA VAL 17 HA VAL 17 2.051 -2.323 -2.618
100 HB VAL 17 HB VAL 17 0.528 -0.785 -0.510
101 HG11 VAL 17 1HG1 VAL 17 3.439 -0.805 -1.277
102 HG12 VAL 17 2HG1 VAL 17 2.694 0.476 -0.319
103 HG13 VAL 17 3HG1 VAL 17 2.731 -1.178 0.294
104 HG21 VAL 17 3HG2 VAL 17 0.572 1.069 -1.879
105 HG22 VAL 17 1HG2 VAL 17 1.924 0.461 -2.835
106 HG23 VAL 17 2HG2 VAL 17 0.313 -0.221 -3.054
107 H CYS 18 H CYS 18 -0.331 -3.292 -0.203
108 HA CYS 18 HA CYS 18 1.686 -5.088 0.958
109 HB2 CYS 18 1HB CYS 18 0.676 -4.653 3.206
110 HB3 CYS 18 2HB CYS 18 1.508 -3.263 2.517
111 H SER 19 H SER 19 -0.951 -5.038 -0.794
112 HA SER 19 HA SER 19 -2.680 -6.456 -1.215
113 HB2 SER 19 1HB SER 19 -0.683 -8.071 -0.976
114 HB3 SER 19 2HB SER 19 -1.359 -8.461 0.605
115 HG SER 19 HG SER 19 -2.842 -8.601 -1.806
116 H LYS 20 H LYS 20 -3.140 -4.628 0.814
117 HA LYS 20 HA LYS 20 -4.563 -6.130 2.893
118 HB2 LYS 20 1HB LYS 20 -2.972 -4.285 3.528
119 HB3 LYS 20 2HB LYS 20 -4.075 -3.152 2.759
120 HG2 LYS 20 1HG LYS 20 -5.842 -3.842 4.322
121 HG3 LYS 20 2HG LYS 20 -4.694 -4.923 5.115
122 HD2 LYS 20 1HD LYS 20 -3.296 -3.034 5.722
123 HD3 LYS 20 2HD LYS 20 -4.373 -1.932 4.860
124 HE2 LYS 20 1HE LYS 20 -5.182 -1.661 6.973
125 HE3 LYS 20 2HE LYS 20 -6.173 -3.027 6.463
126 HZ1 LYS 20 3HZ LYS 20 -3.747 -3.976 7.533
127 HZ2 LYS 20 1HZ LYS 20 -5.323 -4.239 8.089
128 HZ3 LYS 20 2HZ LYS 20 -4.447 -2.900 8.635
129 H ALA 21 H ALA 21 -6.749 -5.992 3.174
130 HA ALA 21 HA ALA 21 -8.239 -4.549 1.080
131 HB1 ALA 21 3HB ALA 21 -9.524 -6.789 2.534
132 HB2 ALA 21 1HB ALA 21 -9.681 -6.288 0.849
133 HB3 ALA 21 2HB ALA 21 -8.259 -7.191 1.373
134 H PHE 22 H PHE 22 -10.117 -3.434 1.642
135 HA PHE 22 HA PHE 22 -10.617 -3.102 4.521
136 HB2 PHE 22 1HB PHE 22 -10.733 -0.799 2.582
137 HB3 PHE 22 2HB PHE 22 -10.723 -0.743 4.342
138 HD1 PHE 22 HD1 PHE 22 -8.651 -1.492 1.373
139 HD2 PHE 22 HD2 PHE 22 -8.707 -0.626 5.540
140 HE1 PHE 22 HE1 PHE 22 -6.208 -1.202 1.342
141 HE2 PHE 22 HE2 PHE 22 -6.265 -0.333 5.515
142 HZ PHE 22 HZ PHE 22 -5.012 -0.620 3.415
143 H THR 23 H THR 23 -12.734 -2.786 5.126
144 HA THR 23 HA THR 23 -14.723 -3.686 3.263
145 HB THR 23 HB THR 23 -14.851 -4.373 5.602
146 HG1 THR 23 HG1 THR 23 -16.905 -2.952 4.364
147 HG21 THR 23 3HG2 THR 23 -15.900 -1.941 6.734
148 HG22 THR 23 1HG2 THR 23 -14.262 -1.685 6.134
149 HG23 THR 23 2HG2 THR 23 -14.582 -2.962 7.308
150 H GLN 24 H GLN 24 -13.478 -0.651 4.165
151 HA GLN 24 HA GLN 24 -15.697 0.678 2.770
152 HB2 GLN 24 1HB GLN 24 -14.368 1.536 5.337
153 HB3 GLN 24 2HB GLN 24 -15.310 2.637 4.341
154 HG2 GLN 24 1HG GLN 24 -17.302 1.475 4.738
155 HG3 GLN 24 2HG GLN 24 -16.451 0.056 5.346
156 HE21 GLN 24 1HE2 GLN 24 -16.272 -0.155 7.464
157 HE22 GLN 24 2HE2 GLN 24 -16.527 1.093 8.630
158 H LYS 25 H LYS 25 -15.145 2.555 1.599
159 HA LYS 25 HA LYS 25 -12.615 2.473 0.351
160 HB2 LYS 25 1HB LYS 25 -14.564 3.306 -0.827
161 HB3 LYS 25 2HB LYS 25 -14.750 4.613 0.335
162 HG2 LYS 25 1HG LYS 25 -12.286 5.172 -0.460
163 HG3 LYS 25 2HG LYS 25 -12.833 4.319 -1.906
164 HD2 LYS 25 1HD LYS 25 -14.674 5.838 -2.175
165 HD3 LYS 25 2HD LYS 25 -14.322 6.609 -0.627
166 HE2 LYS 25 1HE LYS 25 -13.473 8.037 -2.326
167 HE3 LYS 25 2HE LYS 25 -12.086 7.253 -1.571
168 HZ1 LYS 25 3HZ LYS 25 -12.979 7.133 -4.280
169 HZ2 LYS 25 1HZ LYS 25 -12.778 5.588 -3.622
170 HZ3 LYS 25 2HZ LYS 25 -11.489 6.682 -3.618
171 H ALA 26 H ALA 26 -14.033 4.984 2.455
172 HA ALA 26 HA ALA 26 -11.987 6.725 2.720
173 HB1 ALA 26 3HB ALA 26 -13.996 7.161 3.887
174 HB2 ALA 26 1HB ALA 26 -13.842 5.692 4.850
175 HB3 ALA 26 2HB ALA 26 -12.734 7.040 5.113
176 H HIS 27 H HIS 27 -12.219 3.574 4.298
177 HA HIS 27 HA HIS 27 -9.968 3.826 5.965
178 HB2 HIS 27 1HB HIS 27 -11.333 1.411 4.777
179 HB3 HIS 27 2HB HIS 27 -9.990 1.287 5.909
180 HD1 HIS 27 HD1 HIS 27 -12.900 0.240 6.486
181 HD2 HIS 27 HD2 HIS 27 -11.323 3.854 7.795
182 HE1 HIS 27 HE1 HIS 27 -14.253 0.870 8.510
183 H LEU 28 H LEU 28 -10.324 2.587 2.666
184 HA LEU 28 HA LEU 28 -7.646 1.744 2.356
185 HB2 LEU 28 1HB LEU 28 -9.217 0.867 0.847
186 HB3 LEU 28 2HB LEU 28 -9.826 2.466 0.425
187 HG LEU 28 HG LEU 28 -7.600 2.897 -0.679
188 HD11 LEU 28 1HD1 LEU 28 -6.409 1.072 0.535
189 HD12 LEU 28 2HD1 LEU 28 -6.182 1.052 -1.214
190 HD13 LEU 28 3HD1 LEU 28 -7.291 -0.091 -0.456
191 HD21 LEU 28 3HD2 LEU 28 -8.860 2.491 -2.460
192 HD22 LEU 28 1HD2 LEU 28 -9.843 1.337 -1.559
193 HD23 LEU 28 2HD2 LEU 28 -8.372 0.798 -2.370
194 H ALA 29 H ALA 29 -9.293 4.672 1.157
195 HA ALA 29 HA ALA 29 -7.054 5.932 0.082
196 HB1 ALA 29 3HB ALA 29 -8.558 7.469 -0.471
197 HB2 ALA 29 1HB ALA 29 -9.755 6.560 0.452
198 HB3 ALA 29 2HB ALA 29 -8.852 7.865 1.222
199 H GLN 30 H GLN 30 -8.194 5.753 3.387
200 HA GLN 30 HA GLN 30 -6.400 7.782 4.356
201 HB2 GLN 30 1HB GLN 30 -8.660 7.080 5.368
202 HB3 GLN 30 2HB GLN 30 -7.780 5.722 6.059
203 HG2 GLN 30 1HG GLN 30 -6.875 8.546 6.479
204 HG3 GLN 30 2HG GLN 30 -8.114 7.809 7.495
205 HE21 GLN 30 1HE2 GLN 30 -7.430 5.517 8.247
206 HE22 GLN 30 2HE2 GLN 30 -5.837 5.412 8.907
207 H HIS 31 H HIS 31 -6.143 4.489 3.576
208 HA HIS 31 HA HIS 31 -3.882 4.040 5.372
209 HB2 HIS 31 1HB HIS 31 -5.158 2.113 5.371
210 HB3 HIS 31 2HB HIS 31 -5.610 2.286 3.678
211 HD1 HIS 31 HD1 HIS 31 -3.019 0.824 5.901
212 HD2 HIS 31 HD2 HIS 31 -3.721 1.272 1.831
213 HE1 HIS 31 HE1 HIS 31 -1.389 -0.717 4.764
214 H GLN 32 H GLN 32 -4.575 3.689 1.889
215 HA GLN 32 HA GLN 32 -2.076 3.193 0.926
216 HB2 GLN 32 1HB GLN 32 -4.407 4.696 -0.175
217 HB3 GLN 32 2HB GLN 32 -2.885 4.748 -1.056
218 HG2 GLN 32 1HG GLN 32 -2.970 2.161 -0.814
219 HG3 GLN 32 2HG GLN 32 -4.688 2.434 -0.526
220 HE21 GLN 32 1HE2 GLN 32 -2.711 1.482 -2.812
221 HE22 GLN 32 2HE2 GLN 32 -3.462 2.146 -4.219
222 H LYS 33 H LYS 33 -3.300 6.209 2.174
223 HA LYS 33 HA LYS 33 -1.512 8.045 1.158
224 HB2 LYS 33 1HB LYS 33 -2.133 9.463 2.900
225 HB3 LYS 33 2HB LYS 33 -3.505 8.370 2.774
226 HG2 LYS 33 1HG LYS 33 -2.857 7.176 4.702
227 HG3 LYS 33 2HG LYS 33 -1.262 7.933 4.723
228 HD2 LYS 33 1HD LYS 33 -2.637 8.934 6.432
229 HD3 LYS 33 2HD LYS 33 -2.355 10.116 5.152
230 HE2 LYS 33 1HE LYS 33 -4.595 9.260 4.190
231 HE3 LYS 33 2HE LYS 33 -4.851 8.589 5.800
232 HZ1 LYS 33 3HZ LYS 33 -5.849 10.731 5.721
233 HZ2 LYS 33 1HZ LYS 33 -4.447 11.442 5.094
234 HZ3 LYS 33 2HZ LYS 33 -4.463 10.863 6.683
235 H THR 34 H THR 34 -1.066 5.777 3.823
236 HA THR 34 HA THR 34 1.385 6.747 4.777
237 HB THR 34 HB THR 34 -0.077 5.025 5.904
238 HG1 THR 34 HG1 THR 34 1.723 4.955 7.010
239 HG21 THR 34 3HG2 THR 34 0.652 3.541 3.540
240 HG22 THR 34 1HG2 THR 34 -0.543 3.155 4.779
241 HG23 THR 34 2HG2 THR 34 1.140 2.674 4.996
242 H HIS 35 H HIS 35 0.603 5.006 1.916
243 HA HIS 35 HA HIS 35 3.306 4.050 1.483
244 HB2 HIS 35 1HB HIS 35 0.847 3.960 -0.275
245 HB3 HIS 35 2HB HIS 35 2.392 3.219 -0.679
246 HD1 HIS 35 HD1 HIS 35 3.031 1.932 2.062
247 HD2 HIS 35 HD2 HIS 35 -0.660 1.729 0.165
248 HE1 HIS 35 HE1 HIS 35 1.902 -0.108 3.004
249 H THR 36 H THR 36 4.815 5.439 0.855
250 HA THR 36 HA THR 36 4.168 7.903 -0.477
251 HB THR 36 HB THR 36 6.665 8.213 -0.546
252 HG1 THR 36 HG1 THR 36 7.502 6.190 -0.500
253 HG21 THR 36 3HG2 THR 36 5.061 8.822 1.395
254 HG22 THR 36 1HG2 THR 36 6.799 8.843 1.691
255 HG23 THR 36 2HG2 THR 36 5.828 7.475 2.236
256 H GLY 37 H GLY 37 5.270 8.581 -2.490
257 HA2 GLY 37 1HA GLY 37 6.474 7.819 -4.499
258 HA3 GLY 37 2HA GLY 37 5.584 6.310 -4.356
259 H GLU 38 H GLU 38 5.673 9.356 -5.789
260 HA GLU 38 HA GLU 38 2.814 9.358 -6.408
261 HB2 GLU 38 1HB GLU 38 4.278 11.435 -5.721
262 HB3 GLU 38 2HB GLU 38 4.710 11.434 -7.425
263 HG2 GLU 38 1HG GLU 38 1.908 11.587 -6.338
264 HG3 GLU 38 2HG GLU 38 2.855 12.950 -6.932
265 H LYS 39 H LYS 39 2.195 8.226 -8.117
266 HA LYS 39 HA LYS 39 4.011 7.433 -10.183
267 HB2 LYS 39 1HB LYS 39 2.085 6.048 -9.382
268 HB3 LYS 39 2HB LYS 39 0.998 7.199 -10.147
269 HG2 LYS 39 1HG LYS 39 1.971 6.687 -12.323
270 HG3 LYS 39 2HG LYS 39 3.078 5.543 -11.561
271 HD2 LYS 39 1HD LYS 39 0.809 4.543 -10.624
272 HD3 LYS 39 2HD LYS 39 0.157 5.320 -12.069
273 HE2 LYS 39 1HE LYS 39 0.710 3.065 -12.632
274 HE3 LYS 39 2HE LYS 39 1.892 4.122 -13.404
275 HZ1 LYS 39 3HZ LYS 39 3.558 3.319 -12.150
276 HZ2 LYS 39 1HZ LYS 39 2.545 1.976 -11.977
277 HZ3 LYS 39 2HZ LYS 39 2.604 3.152 -10.763
278 HA PRO 40 HA PRO 40 3.490 11.133 -12.608
279 HB2 PRO 40 1HB PRO 40 5.046 10.327 -14.681
280 HB3 PRO 40 2HB PRO 40 5.711 10.905 -13.149
281 HG2 PRO 40 1HG PRO 40 5.325 8.095 -14.105
282 HG3 PRO 40 2HG PRO 40 6.710 8.808 -13.258
283 HD2 PRO 40 1HD PRO 40 4.841 7.313 -11.993
284 HD3 PRO 40 2HD PRO 40 5.689 8.654 -11.197
285 H SER 41 H SER 41 2.325 11.750 -14.417
286 HA SER 41 HA SER 41 0.567 11.591 -15.869
287 HB2 SER 41 1HB SER 41 2.282 9.291 -16.833
288 HB3 SER 41 2HB SER 41 0.942 9.986 -17.743
289 HG SER 41 HG SER 41 2.058 11.930 -17.841
290 H GLY 42 H GLY 42 -0.339 10.667 -13.590
291 HA2 GLY 42 1HA GLY 42 -1.272 7.940 -13.772
292 HA3 GLY 42 2HA GLY 42 -1.665 9.098 -12.509
293 HA PRO 43 HA PRO 43 -5.229 8.451 -15.579
294 HB2 PRO 43 1HB PRO 43 -6.872 7.036 -13.945
295 HB3 PRO 43 2HB PRO 43 -5.695 6.271 -15.020
296 HG2 PRO 43 1HG PRO 43 -5.492 6.843 -12.088
297 HG3 PRO 43 2HG PRO 43 -5.017 5.385 -12.979
298 HD2 PRO 43 1HD PRO 43 -3.230 7.265 -12.203
299 HD3 PRO 43 2HD PRO 43 -3.030 6.314 -13.689
300 H SER 44 H SER 44 -4.564 9.810 -12.582
301 HA SER 44 HA SER 44 -6.945 10.695 -11.550
302 HB2 SER 44 1HB SER 44 -4.424 11.158 -10.870
303 HB3 SER 44 2HB SER 44 -4.709 12.670 -11.733
304 HG SER 44 HG SER 44 -5.567 11.901 -9.282
305 H SER 45 H SER 45 -8.371 12.344 -11.943
306 HA SER 45 HA SER 45 -8.182 13.568 -14.605
307 HB2 SER 45 1HB SER 45 -10.574 13.806 -14.547
308 HB3 SER 45 2HB SER 45 -10.192 12.161 -14.036
309 HG SER 45 HG SER 45 -11.161 12.583 -12.234
310 H GLY 46 H GLY 46 -8.465 15.773 -14.910
311 HA2 GLY 46 1HA GLY 46 -7.863 17.394 -12.553
312 HA3 GLY 46 2HA GLY 46 -7.712 17.902 -14.229
Start of MODEL 18
1 H1 GLY 1 H GLY 1 -19.586 -32.439 -4.246
2 HA2 GLY 1 1HA GLY 1 -17.564 -31.920 -2.156
3 HA3 GLY 1 2HA GLY 1 -17.102 -32.262 -3.816
4 H SER 2 H SER 2 -15.975 -30.171 -3.565
5 HA SER 2 HA SER 2 -15.762 -27.933 -3.933
6 HB2 SER 2 1HB SER 2 -17.032 -28.857 -6.037
7 HB3 SER 2 2HB SER 2 -18.385 -27.933 -5.384
8 HG SER 2 HG SER 2 -17.129 -26.693 -6.835
9 H SER 3 H SER 3 -16.891 -28.551 -1.478
10 HA SER 3 HA SER 3 -18.838 -26.366 -1.120
11 HB2 SER 3 1HB SER 3 -20.001 -28.352 -0.570
12 HB3 SER 3 2HB SER 3 -18.611 -29.028 0.279
13 HG SER 3 HG SER 3 -18.915 -27.520 1.911
14 H GLY 4 H GLY 4 -17.535 -24.702 -0.535
15 HA2 GLY 4 1HA GLY 4 -16.053 -25.045 1.982
16 HA3 GLY 4 2HA GLY 4 -15.239 -24.329 0.600
17 H SER 5 H SER 5 -16.705 -22.508 -0.441
18 HA SER 5 HA SER 5 -18.094 -20.935 1.569
19 HB2 SER 5 1HB SER 5 -16.687 -18.983 1.347
20 HB3 SER 5 2HB SER 5 -15.670 -20.349 1.807
21 HG SER 5 HG SER 5 -15.855 -19.009 -0.652
22 H SER 6 H SER 6 -19.873 -20.215 0.627
23 HA SER 6 HA SER 6 -19.751 -19.418 -2.206
24 HB2 SER 6 1HB SER 6 -20.974 -21.650 -1.611
25 HB3 SER 6 2HB SER 6 -22.252 -20.586 -1.023
26 HG SER 6 HG SER 6 -22.644 -21.056 -3.175
27 H GLY 7 H GLY 7 -20.522 -17.446 -2.654
28 HA2 GLY 7 1HA GLY 7 -22.502 -15.932 -2.132
29 HA3 GLY 7 2HA GLY 7 -21.912 -16.017 -0.479
30 H THR 8 H THR 8 -19.614 -15.301 -0.163
31 HA THR 8 HA THR 8 -19.287 -12.723 -1.409
32 HB THR 8 HB THR 8 -17.302 -12.519 0.098
33 HG1 THR 8 HG1 THR 8 -17.574 -14.399 1.799
34 HG21 THR 8 3HG2 THR 8 -19.466 -13.446 1.890
35 HG22 THR 8 1HG2 THR 8 -19.902 -12.220 0.701
36 HG23 THR 8 2HG2 THR 8 -18.605 -11.908 1.855
37 H GLY 9 H GLY 9 -17.075 -12.031 -2.159
38 HA2 GLY 9 1HA GLY 9 -15.648 -14.209 -3.534
39 HA3 GLY 9 2HA GLY 9 -16.197 -12.812 -4.447
40 H GLU 10 H GLU 10 -15.325 -10.703 -3.839
41 HA GLU 10 HA GLU 10 -12.897 -10.708 -2.246
42 HB2 GLU 10 1HB GLU 10 -12.246 -11.388 -4.586
43 HB3 GLU 10 2HB GLU 10 -12.800 -9.809 -5.126
44 HG2 GLU 10 1HG GLU 10 -11.162 -8.900 -3.337
45 HG3 GLU 10 2HG GLU 10 -10.442 -10.506 -3.434
46 H LYS 11 H LYS 11 -12.607 -8.818 -1.224
47 HA LYS 11 HA LYS 11 -14.537 -6.886 -1.030
48 HB2 LYS 11 1HB LYS 11 -11.633 -6.972 -0.400
49 HB3 LYS 11 2HB LYS 11 -12.406 -5.393 -0.398
50 HG2 LYS 11 1HG LYS 11 -12.707 -5.964 1.778
51 HG3 LYS 11 2HG LYS 11 -14.181 -6.654 1.094
52 HD2 LYS 11 1HD LYS 11 -11.749 -8.360 1.163
53 HD3 LYS 11 2HD LYS 11 -12.581 -8.048 2.688
54 HE2 LYS 11 1HE LYS 11 -13.929 -9.093 0.203
55 HE3 LYS 11 2HE LYS 11 -13.328 -10.117 1.506
56 HZ1 LYS 11 3HZ LYS 11 -15.326 -7.960 1.900
57 HZ2 LYS 11 1HZ LYS 11 -14.859 -9.140 3.018
58 HZ3 LYS 11 2HZ LYS 11 -15.735 -9.581 1.640
59 HA PRO 12 HA PRO 12 -14.362 -4.440 -4.682
60 HB2 PRO 12 1HB PRO 12 -15.336 -2.100 -3.709
61 HB3 PRO 12 2HB PRO 12 -16.350 -3.520 -3.988
62 HG2 PRO 12 1HG PRO 12 -15.149 -2.523 -1.434
63 HG3 PRO 12 2HG PRO 12 -16.779 -3.153 -1.733
64 HD2 PRO 12 1HD PRO 12 -14.821 -4.652 -0.615
65 HD3 PRO 12 2HD PRO 12 -16.083 -5.348 -1.651
66 H TYR 13 H TYR 13 -12.616 -3.606 -1.828
67 HA TYR 13 HA TYR 13 -10.833 -1.907 -3.437
68 HB2 TYR 13 1HB TYR 13 -11.510 -1.396 -0.536
69 HB3 TYR 13 2HB TYR 13 -10.518 -0.392 -1.587
70 HD1 TYR 13 HD1 TYR 13 -11.578 0.910 -3.412
71 HD2 TYR 13 HD2 TYR 13 -13.893 -1.241 -0.564
72 HE1 TYR 13 HE1 TYR 13 -13.565 2.208 -4.056
73 HE2 TYR 13 HE2 TYR 13 -15.887 0.050 -1.201
74 HH TYR 13 HH TYR 13 -16.728 1.356 -3.028
75 H GLU 14 H GLU 14 -8.901 -2.815 -3.564
76 HA GLU 14 HA GLU 14 -7.782 -4.120 -1.187
77 HB2 GLU 14 1HB GLU 14 -8.754 -5.791 -2.850
78 HB3 GLU 14 2HB GLU 14 -7.473 -5.293 -3.946
79 HG2 GLU 14 1HG GLU 14 -6.476 -7.093 -2.995
80 HG3 GLU 14 2HG GLU 14 -5.950 -5.844 -1.868
81 H CYS 15 H CYS 15 -5.731 -3.568 -0.774
82 HA CYS 15 HA CYS 15 -4.451 -1.597 -2.410
83 HB2 CYS 15 1HB CYS 15 -4.327 -1.636 0.087
84 HB3 CYS 15 2HB CYS 15 -3.324 -3.078 -0.027
85 H LYS 16 H LYS 16 -2.140 -1.811 -3.063
86 HA LYS 16 HA LYS 16 -1.688 -4.469 -4.242
87 HB2 LYS 16 1HB LYS 16 -0.862 -1.709 -5.131
88 HB3 LYS 16 2HB LYS 16 -0.161 -3.168 -5.817
89 HG2 LYS 16 1HG LYS 16 -1.834 -2.642 -7.318
90 HG3 LYS 16 2HG LYS 16 -2.604 -3.850 -6.286
91 HD2 LYS 16 1HD LYS 16 -3.434 -1.836 -4.913
92 HD3 LYS 16 2HD LYS 16 -3.004 -0.876 -6.331
93 HE2 LYS 16 1HE LYS 16 -4.479 -2.252 -7.710
94 HE3 LYS 16 2HE LYS 16 -4.896 -3.228 -6.303
95 HZ1 LYS 16 3HZ LYS 16 -6.393 -1.738 -5.666
96 HZ2 LYS 16 1HZ LYS 16 -6.192 -0.976 -7.163
97 HZ3 LYS 16 2HZ LYS 16 -5.309 -0.449 -5.821
98 H VAL 17 H VAL 17 -0.219 -1.876 -2.391
99 HA VAL 17 HA VAL 17 2.421 -2.884 -2.359
100 HB VAL 17 HB VAL 17 1.082 -1.188 -0.248
101 HG11 VAL 17 1HG1 VAL 17 3.962 -0.959 -0.903
102 HG12 VAL 17 2HG1 VAL 17 3.131 -0.773 0.643
103 HG13 VAL 17 3HG1 VAL 17 3.451 -2.385 -0.001
104 HG21 VAL 17 3HG2 VAL 17 2.802 0.012 -2.341
105 HG22 VAL 17 1HG2 VAL 17 1.178 -0.485 -2.817
106 HG23 VAL 17 2HG2 VAL 17 1.397 0.677 -1.509
107 H CYS 18 H CYS 18 -0.015 -2.930 0.252
108 HA CYS 18 HA CYS 18 1.343 -5.285 1.368
109 HB2 CYS 18 1HB CYS 18 0.057 -4.737 3.449
110 HB3 CYS 18 2HB CYS 18 1.196 -3.489 2.956
111 H SER 19 H SER 19 -0.650 -5.179 -0.884
112 HA SER 19 HA SER 19 -2.688 -6.094 -1.494
113 HB2 SER 19 1HB SER 19 -2.572 -8.469 -1.424
114 HB3 SER 19 2HB SER 19 -0.900 -7.911 -1.482
115 HG SER 19 HG SER 19 -1.485 -9.586 0.137
116 H LYS 20 H LYS 20 -2.911 -4.636 0.974
117 HA LYS 20 HA LYS 20 -4.383 -6.153 2.884
118 HB2 LYS 20 1HB LYS 20 -3.186 -4.071 3.457
119 HB3 LYS 20 2HB LYS 20 -4.306 -3.160 2.453
120 HG2 LYS 20 1HG LYS 20 -5.039 -2.874 4.667
121 HG3 LYS 20 2HG LYS 20 -6.152 -4.035 3.939
122 HD2 LYS 20 1HD LYS 20 -5.702 -5.048 5.958
123 HD3 LYS 20 2HD LYS 20 -4.486 -5.798 4.921
124 HE2 LYS 20 1HE LYS 20 -3.821 -3.283 6.386
125 HE3 LYS 20 2HE LYS 20 -3.827 -4.815 7.258
126 HZ1 LYS 20 3HZ LYS 20 -2.431 -5.283 4.929
127 HZ2 LYS 20 1HZ LYS 20 -1.789 -5.134 6.487
128 HZ3 LYS 20 2HZ LYS 20 -1.878 -3.781 5.477
129 H ALA 21 H ALA 21 -6.640 -5.894 3.406
130 HA ALA 21 HA ALA 21 -8.301 -5.169 1.082
131 HB1 ALA 21 3HB ALA 21 -8.576 -7.435 1.025
132 HB2 ALA 21 1HB ALA 21 -8.322 -7.622 2.761
133 HB3 ALA 21 2HB ALA 21 -9.861 -7.009 2.155
134 H PHE 22 H PHE 22 -9.901 -3.770 1.464
135 HA PHE 22 HA PHE 22 -10.686 -3.287 4.262
136 HB2 PHE 22 1HB PHE 22 -10.627 -1.148 2.138
137 HB3 PHE 22 2HB PHE 22 -10.782 -0.944 3.879
138 HD1 PHE 22 HD1 PHE 22 -8.480 -1.584 1.116
139 HD2 PHE 22 HD2 PHE 22 -8.851 -1.071 5.325
140 HE1 PHE 22 HE1 PHE 22 -6.044 -1.289 1.291
141 HE2 PHE 22 HE2 PHE 22 -6.416 -0.775 5.507
142 HZ PHE 22 HZ PHE 22 -5.009 -0.882 3.488
143 H THR 23 H THR 23 -12.851 -2.610 4.616
144 HA THR 23 HA THR 23 -14.702 -3.732 2.679
145 HB THR 23 HB THR 23 -15.005 -4.310 5.036
146 HG1 THR 23 HG1 THR 23 -17.288 -3.263 5.123
147 HG21 THR 23 3HG2 THR 23 -14.233 -1.840 5.670
148 HG22 THR 23 1HG2 THR 23 -15.236 -2.814 6.744
149 HG23 THR 23 2HG2 THR 23 -15.978 -1.589 5.715
150 H GLN 24 H GLN 24 -13.857 -0.614 4.055
151 HA GLN 24 HA GLN 24 -15.815 0.656 2.258
152 HB2 GLN 24 1HB GLN 24 -14.780 1.459 4.961
153 HB3 GLN 24 2HB GLN 24 -15.462 2.655 3.866
154 HG2 GLN 24 1HG GLN 24 -17.555 1.386 3.796
155 HG3 GLN 24 2HG GLN 24 -16.870 0.211 4.917
156 HE21 GLN 24 1HE2 GLN 24 -18.685 0.734 6.271
157 HE22 GLN 24 2HE2 GLN 24 -18.629 2.134 7.281
158 H LYS 25 H LYS 25 -15.013 3.131 1.991
159 HA LYS 25 HA LYS 25 -12.511 2.887 0.540
160 HB2 LYS 25 1HB LYS 25 -14.474 5.178 0.743
161 HB3 LYS 25 2HB LYS 25 -13.065 5.149 -0.308
162 HG2 LYS 25 1HG LYS 25 -14.591 4.460 -1.817
163 HG3 LYS 25 2HG LYS 25 -14.234 2.884 -1.107
164 HD2 LYS 25 1HD LYS 25 -16.593 3.051 -1.189
165 HD3 LYS 25 2HD LYS 25 -16.142 3.318 0.496
166 HE2 LYS 25 1HE LYS 25 -16.261 5.766 0.074
167 HE3 LYS 25 2HE LYS 25 -16.860 5.417 -1.547
168 HZ1 LYS 25 3HZ LYS 25 -18.579 5.905 0.217
169 HZ2 LYS 25 1HZ LYS 25 -18.206 4.395 0.883
170 HZ3 LYS 25 2HZ LYS 25 -18.822 4.498 -0.689
171 H ALA 26 H ALA 26 -13.870 5.051 3.023
172 HA ALA 26 HA ALA 26 -11.829 6.723 3.565
173 HB1 ALA 26 3HB ALA 26 -12.909 7.192 5.477
174 HB2 ALA 26 1HB ALA 26 -14.118 6.064 4.863
175 HB3 ALA 26 2HB ALA 26 -12.900 5.512 6.014
176 H HIS 27 H HIS 27 -12.041 3.363 4.685
177 HA HIS 27 HA HIS 27 -9.739 3.312 6.258
178 HB2 HIS 27 1HB HIS 27 -11.221 1.196 4.722
179 HB3 HIS 27 2HB HIS 27 -9.736 0.805 5.585
180 HD1 HIS 27 HD1 HIS 27 -13.288 0.939 6.047
181 HD2 HIS 27 HD2 HIS 27 -9.972 1.581 8.467
182 HE1 HIS 27 HE1 HIS 27 -14.133 0.757 8.409
183 H LEU 28 H LEU 28 -10.123 2.448 2.825
184 HA LEU 28 HA LEU 28 -7.389 1.897 2.378
185 HB2 LEU 28 1HB LEU 28 -9.126 1.061 0.908
186 HB3 LEU 28 2HB LEU 28 -9.564 2.706 0.454
187 HG LEU 28 HG LEU 28 -7.139 2.854 -0.439
188 HD11 LEU 28 1HD1 LEU 28 -6.566 0.461 -1.335
189 HD12 LEU 28 2HD1 LEU 28 -7.465 -0.061 0.089
190 HD13 LEU 28 3HD1 LEU 28 -6.044 0.969 0.272
191 HD21 LEU 28 3HD2 LEU 28 -7.857 2.108 -2.588
192 HD22 LEU 28 1HD2 LEU 28 -9.258 2.799 -1.769
193 HD23 LEU 28 2HD2 LEU 28 -9.076 1.048 -1.878
194 H ALA 29 H ALA 29 -9.343 4.728 1.430
195 HA ALA 29 HA ALA 29 -7.372 6.308 0.358
196 HB1 ALA 29 3HB ALA 29 -10.004 6.751 1.513
197 HB2 ALA 29 1HB ALA 29 -8.929 8.136 1.705
198 HB3 ALA 29 2HB ALA 29 -9.250 7.484 0.097
199 H GLN 30 H GLN 30 -8.265 6.002 3.778
200 HA GLN 30 HA GLN 30 -6.359 7.911 4.693
201 HB2 GLN 30 1HB GLN 30 -8.384 7.313 5.973
202 HB3 GLN 30 2HB GLN 30 -7.738 5.697 6.222
203 HG2 GLN 30 1HG GLN 30 -6.159 8.072 7.092
204 HG3 GLN 30 2HG GLN 30 -7.506 7.499 8.075
205 HE21 GLN 30 1HE2 GLN 30 -7.414 4.909 8.110
206 HE22 GLN 30 2HE2 GLN 30 -5.897 4.297 8.665
207 H HIS 31 H HIS 31 -6.128 4.671 3.679
208 HA HIS 31 HA HIS 31 -3.708 4.132 5.206
209 HB2 HIS 31 1HB HIS 31 -4.939 2.178 5.075
210 HB3 HIS 31 2HB HIS 31 -5.505 2.520 3.442
211 HD1 HIS 31 HD1 HIS 31 -2.139 1.767 5.072
212 HD2 HIS 31 HD2 HIS 31 -4.317 0.911 1.638
213 HE1 HIS 31 HE1 HIS 31 -0.701 0.193 3.738
214 H GLN 32 H GLN 32 -4.561 3.879 1.749
215 HA GLN 32 HA GLN 32 -2.183 3.645 0.560
216 HB2 GLN 32 1HB GLN 32 -4.459 5.459 -0.215
217 HB3 GLN 32 2HB GLN 32 -3.050 5.242 -1.244
218 HG2 GLN 32 1HG GLN 32 -4.751 2.959 -0.285
219 HG3 GLN 32 2HG GLN 32 -5.045 3.822 -1.794
220 HE21 GLN 32 1HE2 GLN 32 -4.727 1.756 -2.810
221 HE22 GLN 32 2HE2 GLN 32 -3.125 1.194 -3.131
222 H LYS 33 H LYS 33 -3.464 6.741 1.742
223 HA LYS 33 HA LYS 33 -1.657 8.561 0.975
224 HB2 LYS 33 1HB LYS 33 -2.165 9.834 2.872
225 HB3 LYS 33 2HB LYS 33 -3.568 8.790 2.683
226 HG2 LYS 33 1HG LYS 33 -2.584 7.265 4.383
227 HG3 LYS 33 2HG LYS 33 -1.303 8.453 4.637
228 HD2 LYS 33 1HD LYS 33 -4.235 9.088 4.924
229 HD3 LYS 33 2HD LYS 33 -3.220 8.559 6.268
230 HE2 LYS 33 1HE LYS 33 -1.680 10.528 5.399
231 HE3 LYS 33 2HE LYS 33 -3.212 11.126 4.765
232 HZ1 LYS 33 3HZ LYS 33 -3.261 10.229 7.523
233 HZ2 LYS 33 1HZ LYS 33 -3.979 11.585 6.811
234 HZ3 LYS 33 2HZ LYS 33 -2.341 11.618 7.230
235 H THR 34 H THR 34 -1.129 6.279 3.647
236 HA THR 34 HA THR 34 1.411 7.144 4.408
237 HB THR 34 HB THR 34 1.694 5.056 5.522
238 HG1 THR 34 HG1 THR 34 1.185 3.644 3.811
239 HG21 THR 34 3HG2 THR 34 -1.119 4.829 5.911
240 HG22 THR 34 1HG2 THR 34 -0.722 6.533 5.697
241 HG23 THR 34 2HG2 THR 34 0.078 5.592 6.956
242 H HIS 35 H HIS 35 0.454 4.747 1.977
243 HA HIS 35 HA HIS 35 3.063 3.928 1.286
244 HB2 HIS 35 1HB HIS 35 0.424 3.821 -0.163
245 HB3 HIS 35 2HB HIS 35 1.907 3.219 -0.897
246 HD1 HIS 35 HD1 HIS 35 2.987 2.004 1.878
247 HD2 HIS 35 HD2 HIS 35 -0.692 1.284 0.088
248 HE1 HIS 35 HE1 HIS 35 2.219 -0.211 2.789
249 H THR 36 H THR 36 4.587 4.838 0.063
250 HA THR 36 HA THR 36 4.111 7.473 -1.037
251 HB THR 36 HB THR 36 6.634 5.807 -0.961
252 HG1 THR 36 HG1 THR 36 6.943 6.699 0.941
253 HG21 THR 36 3HG2 THR 36 6.573 8.762 -1.414
254 HG22 THR 36 1HG2 THR 36 6.320 7.667 -2.772
255 HG23 THR 36 2HG2 THR 36 7.817 7.588 -1.842
256 H GLY 37 H GLY 37 4.896 4.236 -2.224
257 HA2 GLY 37 1HA GLY 37 4.162 3.402 -4.312
258 HA3 GLY 37 2HA GLY 37 3.970 5.055 -4.877
259 H GLU 38 H GLU 38 6.141 6.304 -4.930
260 HA GLU 38 HA GLU 38 7.900 4.782 -6.636
261 HB2 GLU 38 1HB GLU 38 7.143 7.285 -6.839
262 HB3 GLU 38 2HB GLU 38 8.486 7.580 -5.744
263 HG2 GLU 38 1HG GLU 38 10.007 6.503 -7.335
264 HG3 GLU 38 2HG GLU 38 8.656 6.251 -8.439
265 H LYS 39 H LYS 39 9.607 3.685 -5.961
266 HA LYS 39 HA LYS 39 10.518 3.812 -3.260
267 HB2 LYS 39 1HB LYS 39 12.082 2.090 -3.887
268 HB3 LYS 39 2HB LYS 39 10.529 1.737 -4.633
269 HG2 LYS 39 1HG LYS 39 11.334 2.623 -6.755
270 HG3 LYS 39 2HG LYS 39 12.888 3.007 -6.010
271 HD2 LYS 39 1HD LYS 39 11.764 0.219 -6.015
272 HD3 LYS 39 2HD LYS 39 12.735 0.840 -7.352
273 HE2 LYS 39 1HE LYS 39 13.716 1.009 -4.525
274 HE3 LYS 39 2HE LYS 39 13.904 -0.475 -5.458
275 HZ1 LYS 39 3HZ LYS 39 14.809 2.118 -6.540
276 HZ2 LYS 39 1HZ LYS 39 15.306 0.558 -6.967
277 HZ3 LYS 39 2HZ LYS 39 15.793 1.227 -5.492
278 HA PRO 40 HA PRO 40 13.483 7.057 -3.690
279 HB2 PRO 40 1HB PRO 40 14.888 6.575 -1.418
280 HB3 PRO 40 2HB PRO 40 13.286 7.321 -1.416
281 HG2 PRO 40 1HG PRO 40 14.051 4.475 -0.888
282 HG3 PRO 40 2HG PRO 40 12.886 5.498 -0.028
283 HD2 PRO 40 1HD PRO 40 12.130 3.650 -1.857
284 HD3 PRO 40 2HD PRO 40 11.238 5.165 -1.605
285 H SER 41 H SER 41 15.817 7.373 -3.842
286 HA SER 41 HA SER 41 17.195 4.919 -4.716
287 HB2 SER 41 1HB SER 41 17.240 7.731 -5.763
288 HB3 SER 41 2HB SER 41 18.628 6.674 -6.023
289 HG SER 41 HG SER 41 16.444 6.764 -7.444
290 H GLY 42 H GLY 42 18.021 4.472 -2.634
291 HA2 GLY 42 1HA GLY 42 19.454 4.681 -0.838
292 HA3 GLY 42 2HA GLY 42 20.577 5.225 -2.075
293 HA PRO 43 HA PRO 43 18.533 9.105 0.040
294 HB2 PRO 43 1HB PRO 43 17.601 8.638 2.546
295 HB3 PRO 43 2HB PRO 43 16.586 8.510 1.105
296 HG2 PRO 43 1HG PRO 43 17.945 6.345 2.662
297 HG3 PRO 43 2HG PRO 43 16.305 6.377 1.988
298 HD2 PRO 43 1HD PRO 43 18.351 5.078 0.780
299 HD3 PRO 43 2HD PRO 43 17.030 5.837 -0.132
300 H SER 44 H SER 44 20.427 6.638 1.553
301 HA SER 44 HA SER 44 21.885 8.655 3.121
302 HB2 SER 44 1HB SER 44 21.533 5.686 3.449
303 HB3 SER 44 2HB SER 44 22.884 6.523 4.213
304 HG SER 44 HG SER 44 21.492 6.956 5.722
305 H SER 45 H SER 45 22.387 5.834 1.018
306 HA SER 45 HA SER 45 25.197 6.302 0.750
307 HB2 SER 45 1HB SER 45 24.028 4.059 0.504
308 HB3 SER 45 2HB SER 45 23.474 4.619 -1.074
309 HG SER 45 HG SER 45 26.135 4.203 -0.201
310 H GLY 46 H GLY 46 22.484 6.546 -1.560
311 HA2 GLY 46 1HA GLY 46 22.431 8.778 -2.745
312 HA3 GLY 46 2HA GLY 46 24.122 8.460 -3.102
Start of MODEL 19
1 H1 GLY 1 H GLY 1 -16.445 -25.772 -14.990
2 HA2 GLY 1 1HA GLY 1 -17.066 -23.551 -15.835
3 HA3 GLY 1 2HA GLY 1 -18.606 -24.250 -16.311
4 H SER 2 H SER 2 -16.659 -24.208 -13.321
5 HA SER 2 HA SER 2 -19.060 -23.250 -11.906
6 HB2 SER 2 1HB SER 2 -16.964 -25.138 -10.806
7 HB3 SER 2 2HB SER 2 -18.414 -24.583 -9.970
8 HG SER 2 HG SER 2 -19.233 -26.338 -10.807
9 H SER 3 H SER 3 -18.715 -21.203 -11.360
10 HA SER 3 HA SER 3 -16.250 -19.919 -11.203
11 HB2 SER 3 1HB SER 3 -18.937 -19.246 -10.005
12 HB3 SER 3 2HB SER 3 -17.541 -18.180 -9.847
13 HG SER 3 HG SER 3 -17.844 -17.553 -11.823
14 H GLY 4 H GLY 4 -18.333 -20.956 -8.493
15 HA2 GLY 4 1HA GLY 4 -16.714 -22.264 -6.862
16 HA3 GLY 4 2HA GLY 4 -16.078 -20.638 -6.663
17 H SER 5 H SER 5 -17.205 -19.142 -5.468
18 HA SER 5 HA SER 5 -19.892 -19.538 -4.609
19 HB2 SER 5 1HB SER 5 -19.593 -20.125 -2.341
20 HB3 SER 5 2HB SER 5 -18.528 -21.218 -3.224
21 HG SER 5 HG SER 5 -17.652 -20.061 -1.304
22 H SER 6 H SER 6 -20.756 -17.683 -3.800
23 HA SER 6 HA SER 6 -18.917 -15.500 -3.103
24 HB2 SER 6 1HB SER 6 -21.315 -15.234 -4.933
25 HB3 SER 6 2HB SER 6 -20.272 -13.916 -4.400
26 HG SER 6 HG SER 6 -18.528 -15.234 -5.404
27 H GLY 7 H GLY 7 -19.885 -13.800 -1.820
28 HA2 GLY 7 1HA GLY 7 -22.253 -13.310 -0.814
29 HA3 GLY 7 2HA GLY 7 -21.974 -14.877 -0.068
30 H THR 8 H THR 8 -20.698 -11.592 -0.341
31 HA THR 8 HA THR 8 -19.456 -10.310 1.074
32 HB THR 8 HB THR 8 -20.456 -12.000 3.352
33 HG1 THR 8 HG1 THR 8 -21.953 -10.722 1.486
34 HG21 THR 8 3HG2 THR 8 -18.879 -10.081 3.729
35 HG22 THR 8 1HG2 THR 8 -20.418 -9.949 4.579
36 HG23 THR 8 2HG2 THR 8 -20.138 -9.011 3.112
37 H GLY 9 H GLY 9 -18.002 -12.350 -0.094
38 HA2 GLY 9 1HA GLY 9 -16.420 -13.604 2.017
39 HA3 GLY 9 2HA GLY 9 -16.276 -13.903 0.291
40 H GLU 10 H GLU 10 -15.483 -11.934 -0.987
41 HA GLU 10 HA GLU 10 -13.183 -10.824 0.464
42 HB2 GLU 10 1HB GLU 10 -13.611 -11.079 -2.518
43 HB3 GLU 10 2HB GLU 10 -12.145 -10.516 -1.727
44 HG2 GLU 10 1HG GLU 10 -11.948 -12.745 -0.644
45 HG3 GLU 10 2HG GLU 10 -13.319 -13.282 -1.613
46 H LYS 11 H LYS 11 -12.622 -8.632 0.241
47 HA LYS 11 HA LYS 11 -14.910 -6.887 -0.154
48 HB2 LYS 11 1HB LYS 11 -12.225 -6.627 1.118
49 HB3 LYS 11 2HB LYS 11 -13.024 -5.162 0.561
50 HG2 LYS 11 1HG LYS 11 -13.726 -5.276 2.742
51 HG3 LYS 11 2HG LYS 11 -15.053 -6.083 1.903
52 HD2 LYS 11 1HD LYS 11 -12.777 -7.749 2.844
53 HD3 LYS 11 2HD LYS 11 -13.908 -7.133 4.051
54 HE2 LYS 11 1HE LYS 11 -14.926 -8.477 1.580
55 HE3 LYS 11 2HE LYS 11 -14.339 -9.443 2.933
56 HZ1 LYS 11 3HZ LYS 11 -16.672 -9.154 3.182
57 HZ2 LYS 11 1HZ LYS 11 -16.562 -7.479 2.969
58 HZ3 LYS 11 2HZ LYS 11 -15.923 -8.199 4.360
59 HA PRO 12 HA PRO 12 -13.783 -5.565 -4.199
60 HB2 PRO 12 1HB PRO 12 -15.026 -3.152 -4.225
61 HB3 PRO 12 2HB PRO 12 -15.901 -4.684 -4.338
62 HG2 PRO 12 1HG PRO 12 -15.465 -2.922 -1.957
63 HG3 PRO 12 2HG PRO 12 -16.940 -3.760 -2.474
64 HD2 PRO 12 1HD PRO 12 -15.340 -4.708 -0.506
65 HD3 PRO 12 2HD PRO 12 -16.256 -5.776 -1.589
66 H TYR 13 H TYR 13 -12.983 -3.730 -1.365
67 HA TYR 13 HA TYR 13 -11.130 -2.041 -2.885
68 HB2 TYR 13 1HB TYR 13 -11.684 -1.802 0.064
69 HB3 TYR 13 2HB TYR 13 -11.082 -0.573 -1.043
70 HD1 TYR 13 HD1 TYR 13 -12.717 0.164 -2.931
71 HD2 TYR 13 HD2 TYR 13 -13.939 -1.842 0.617
72 HE1 TYR 13 HE1 TYR 13 -15.008 1.000 -3.254
73 HE2 TYR 13 HE2 TYR 13 -16.233 -1.013 0.302
74 HH TYR 13 HH TYR 13 -17.452 0.651 -0.817
75 H GLU 14 H GLU 14 -9.145 -2.810 -3.128
76 HA GLU 14 HA GLU 14 -7.775 -3.963 -0.820
77 HB2 GLU 14 1HB GLU 14 -8.768 -5.805 -2.267
78 HB3 GLU 14 2HB GLU 14 -7.642 -5.301 -3.519
79 HG2 GLU 14 1HG GLU 14 -5.885 -5.605 -1.579
80 HG3 GLU 14 2HG GLU 14 -7.126 -6.683 -0.944
81 H CYS 15 H CYS 15 -5.587 -3.584 -0.768
82 HA CYS 15 HA CYS 15 -4.630 -1.519 -2.551
83 HB2 CYS 15 1HB CYS 15 -4.237 -1.574 -0.039
84 HB3 CYS 15 2HB CYS 15 -3.084 -2.870 -0.339
85 H LYS 16 H LYS 16 -2.391 -1.674 -3.449
86 HA LYS 16 HA LYS 16 -2.000 -4.336 -4.637
87 HB2 LYS 16 1HB LYS 16 -1.070 -3.290 -6.537
88 HB3 LYS 16 2HB LYS 16 -2.473 -2.317 -6.116
89 HG2 LYS 16 1HG LYS 16 -1.220 -0.524 -5.495
90 HG3 LYS 16 2HG LYS 16 0.147 -1.515 -4.982
91 HD2 LYS 16 1HD LYS 16 1.030 -0.639 -6.893
92 HD3 LYS 16 2HD LYS 16 0.238 -2.060 -7.579
93 HE2 LYS 16 1HE LYS 16 -1.234 0.536 -7.355
94 HE3 LYS 16 2HE LYS 16 -0.111 0.263 -8.686
95 HZ1 LYS 16 3HZ LYS 16 -1.563 -1.989 -8.726
96 HZ2 LYS 16 1HZ LYS 16 -1.898 -0.626 -9.671
97 HZ3 LYS 16 2HZ LYS 16 -2.728 -0.872 -8.218
98 H VAL 17 H VAL 17 -0.470 -1.804 -2.802
99 HA VAL 17 HA VAL 17 2.196 -2.819 -3.048
100 HB VAL 17 HB VAL 17 1.018 -0.900 -1.033
101 HG11 VAL 17 1HG1 VAL 17 3.030 -1.966 -0.165
102 HG12 VAL 17 2HG1 VAL 17 3.904 -1.540 -1.638
103 HG13 VAL 17 3HG1 VAL 17 3.334 -0.272 -0.551
104 HG21 VAL 17 3HG2 VAL 17 1.206 0.690 -2.578
105 HG22 VAL 17 1HG2 VAL 17 2.871 0.224 -2.927
106 HG23 VAL 17 2HG2 VAL 17 1.539 -0.574 -3.762
107 H CYS 18 H CYS 18 0.168 -2.520 -0.129
108 HA CYS 18 HA CYS 18 1.609 -4.695 1.124
109 HB2 CYS 18 1HB CYS 18 0.293 -4.166 3.105
110 HB3 CYS 18 2HB CYS 18 0.972 -2.693 2.420
111 H SER 19 H SER 19 -1.182 -4.329 -0.772
112 HA SER 19 HA SER 19 -2.805 -5.770 -1.453
113 HB2 SER 19 1HB SER 19 -0.802 -7.691 -0.287
114 HB3 SER 19 2HB SER 19 -2.343 -8.264 -0.926
115 HG SER 19 HG SER 19 -1.561 -8.043 -2.853
116 H LYS 20 H LYS 20 -3.436 -4.374 0.767
117 HA LYS 20 HA LYS 20 -4.666 -6.317 2.601
118 HB2 LYS 20 1HB LYS 20 -3.118 -4.414 3.429
119 HB3 LYS 20 2HB LYS 20 -4.487 -3.359 3.107
120 HG2 LYS 20 1HG LYS 20 -5.857 -4.767 4.625
121 HG3 LYS 20 2HG LYS 20 -4.399 -5.678 5.023
122 HD2 LYS 20 1HD LYS 20 -3.346 -3.647 5.867
123 HD3 LYS 20 2HD LYS 20 -4.779 -2.711 5.433
124 HE2 LYS 20 1HE LYS 20 -5.180 -3.089 7.658
125 HE3 LYS 20 2HE LYS 20 -5.998 -4.478 6.943
126 HZ1 LYS 20 3HZ LYS 20 -3.185 -4.630 7.837
127 HZ2 LYS 20 1HZ LYS 20 -4.267 -5.897 7.547
128 HZ3 LYS 20 2HZ LYS 20 -4.468 -4.907 8.903
129 H ALA 21 H ALA 21 -6.824 -6.504 2.731
130 HA ALA 21 HA ALA 21 -8.436 -4.922 0.886
131 HB1 ALA 21 3HB ALA 21 -8.644 -7.577 2.112
132 HB2 ALA 21 1HB ALA 21 -10.169 -6.699 1.995
133 HB3 ALA 21 2HB ALA 21 -9.210 -7.000 0.545
134 H PHE 22 H PHE 22 -10.221 -3.711 1.490
135 HA PHE 22 HA PHE 22 -10.552 -3.235 4.377
136 HB2 PHE 22 1HB PHE 22 -10.674 -1.107 2.231
137 HB3 PHE 22 2HB PHE 22 -10.819 -0.860 3.968
138 HD1 PHE 22 HD1 PHE 22 -8.493 -1.843 1.275
139 HD2 PHE 22 HD2 PHE 22 -8.913 -0.623 5.331
140 HE1 PHE 22 HE1 PHE 22 -6.059 -1.513 1.424
141 HE2 PHE 22 HE2 PHE 22 -6.480 -0.290 5.487
142 HZ PHE 22 HZ PHE 22 -5.050 -0.734 3.532
143 H THR 23 H THR 23 -12.645 -2.501 5.034
144 HA THR 23 HA THR 23 -14.761 -3.684 3.457
145 HB THR 23 HB THR 23 -14.821 -4.092 5.831
146 HG1 THR 23 HG1 THR 23 -16.949 -2.982 6.261
147 HG21 THR 23 3HG2 THR 23 -15.535 -1.486 6.810
148 HG22 THR 23 1HG2 THR 23 -13.951 -1.428 6.038
149 HG23 THR 23 2HG2 THR 23 -14.250 -2.566 7.352
150 H GLN 24 H GLN 24 -13.573 -0.507 4.226
151 HA GLN 24 HA GLN 24 -15.753 0.650 2.620
152 HB2 GLN 24 1HB GLN 24 -14.412 1.799 5.069
153 HB3 GLN 24 2HB GLN 24 -15.441 2.737 3.995
154 HG2 GLN 24 1HG GLN 24 -16.292 0.295 5.536
155 HG3 GLN 24 2HG GLN 24 -16.631 1.965 5.986
156 HE21 GLN 24 1HE2 GLN 24 -18.313 3.002 5.073
157 HE22 GLN 24 2HE2 GLN 24 -19.371 2.303 3.900
158 H LYS 25 H LYS 25 -15.114 2.870 1.748
159 HA LYS 25 HA LYS 25 -12.662 2.552 0.280
160 HB2 LYS 25 1HB LYS 25 -14.585 4.885 0.301
161 HB3 LYS 25 2HB LYS 25 -13.335 4.575 -0.897
162 HG2 LYS 25 1HG LYS 25 -14.506 2.850 -1.872
163 HG3 LYS 25 2HG LYS 25 -15.453 2.530 -0.417
164 HD2 LYS 25 1HD LYS 25 -16.355 4.962 -0.874
165 HD3 LYS 25 2HD LYS 25 -15.837 4.605 -2.524
166 HE2 LYS 25 1HE LYS 25 -17.351 2.867 -2.758
167 HE3 LYS 25 2HE LYS 25 -17.511 2.637 -1.017
168 HZ1 LYS 25 3HZ LYS 25 -19.489 3.653 -1.886
169 HZ2 LYS 25 1HZ LYS 25 -18.598 4.900 -2.603
170 HZ3 LYS 25 2HZ LYS 25 -18.680 4.780 -0.918
171 H ALA 26 H ALA 26 -13.922 5.022 2.519
172 HA ALA 26 HA ALA 26 -11.848 6.756 2.685
173 HB1 ALA 26 3HB ALA 26 -13.844 5.790 4.638
174 HB2 ALA 26 1HB ALA 26 -12.463 6.673 5.289
175 HB3 ALA 26 2HB ALA 26 -13.501 7.426 4.077
176 H HIS 27 H HIS 27 -12.059 3.634 4.358
177 HA HIS 27 HA HIS 27 -9.714 3.801 5.851
178 HB2 HIS 27 1HB HIS 27 -11.344 1.543 4.768
179 HB3 HIS 27 2HB HIS 27 -9.764 1.186 5.457
180 HD1 HIS 27 HD1 HIS 27 -11.002 -0.127 7.364
181 HD2 HIS 27 HD2 HIS 27 -11.779 3.953 7.251
182 HE1 HIS 27 HE1 HIS 27 -12.068 0.416 9.577
183 H LEU 28 H LEU 28 -10.182 2.347 2.630
184 HA LEU 28 HA LEU 28 -7.475 1.717 2.200
185 HB2 LEU 28 1HB LEU 28 -9.058 0.626 0.851
186 HB3 LEU 28 2HB LEU 28 -9.808 2.144 0.361
187 HG LEU 28 HG LEU 28 -7.489 2.579 -0.774
188 HD11 LEU 28 1HD1 LEU 28 -7.390 -0.281 -0.047
189 HD12 LEU 28 2HD1 LEU 28 -6.084 0.877 -0.294
190 HD13 LEU 28 3HD1 LEU 28 -6.880 0.138 -1.683
191 HD21 LEU 28 3HD2 LEU 28 -9.071 2.516 -2.363
192 HD22 LEU 28 1HD2 LEU 28 -9.895 1.138 -1.631
193 HD23 LEU 28 2HD2 LEU 28 -8.479 0.879 -2.651
194 H ALA 29 H ALA 29 -9.409 4.433 0.932
195 HA ALA 29 HA ALA 29 -7.438 5.789 -0.430
196 HB1 ALA 29 3HB ALA 29 -10.047 6.413 0.640
197 HB2 ALA 29 1HB ALA 29 -8.963 7.802 0.736
198 HB3 ALA 29 2HB ALA 29 -9.253 7.014 -0.816
199 H GLN 30 H GLN 30 -8.303 6.120 3.006
200 HA GLN 30 HA GLN 30 -6.312 8.059 3.576
201 HB2 GLN 30 1HB GLN 30 -8.151 6.350 5.175
202 HB3 GLN 30 2HB GLN 30 -6.767 7.054 6.001
203 HG2 GLN 30 1HG GLN 30 -7.476 9.275 5.381
204 HG3 GLN 30 2HG GLN 30 -8.809 8.614 4.435
205 HE21 GLN 30 1HE2 GLN 30 -8.203 10.170 7.160
206 HE22 GLN 30 2HE2 GLN 30 -9.448 9.548 8.183
207 H HIS 31 H HIS 31 -6.419 4.543 3.784
208 HA HIS 31 HA HIS 31 -4.140 4.017 5.238
209 HB2 HIS 31 1HB HIS 31 -5.289 2.093 4.718
210 HB3 HIS 31 2HB HIS 31 -5.575 2.585 3.052
211 HD1 HIS 31 HD1 HIS 31 -2.748 1.303 5.232
212 HD2 HIS 31 HD2 HIS 31 -3.888 1.456 1.240
213 HE1 HIS 31 HE1 HIS 31 -1.056 -0.087 3.996
214 H GLN 32 H GLN 32 -4.371 4.510 1.720
215 HA GLN 32 HA GLN 32 -1.863 4.113 0.851
216 HB2 GLN 32 1HB GLN 32 -3.732 6.383 0.204
217 HB3 GLN 32 2HB GLN 32 -2.197 6.180 -0.631
218 HG2 GLN 32 1HG GLN 32 -2.907 3.934 -1.340
219 HG3 GLN 32 2HG GLN 32 -4.465 4.203 -0.559
220 HE21 GLN 32 1HE2 GLN 32 -5.790 5.943 -1.366
221 HE22 GLN 32 2HE2 GLN 32 -5.684 6.396 -3.029
222 H LYS 33 H LYS 33 -2.931 7.063 2.520
223 HA LYS 33 HA LYS 33 -0.807 8.688 2.462
224 HB2 LYS 33 1HB LYS 33 -2.475 7.910 4.849
225 HB3 LYS 33 2HB LYS 33 -1.268 9.187 4.930
226 HG2 LYS 33 1HG LYS 33 -2.465 10.594 3.556
227 HG3 LYS 33 2HG LYS 33 -3.358 9.270 2.803
228 HD2 LYS 33 1HD LYS 33 -4.964 10.227 4.166
229 HD3 LYS 33 2HD LYS 33 -4.341 8.929 5.188
230 HE2 LYS 33 1HE LYS 33 -4.455 10.824 6.579
231 HE3 LYS 33 2HE LYS 33 -2.752 10.655 6.156
232 HZ1 LYS 33 3HZ LYS 33 -3.245 12.304 4.322
233 HZ2 LYS 33 1HZ LYS 33 -3.242 12.914 5.900
234 HZ3 LYS 33 2HZ LYS 33 -4.708 12.613 5.113
235 H THR 34 H THR 34 -1.020 5.801 4.512
236 HA THR 34 HA THR 34 1.385 6.048 5.876
237 HB THR 34 HB THR 34 1.330 3.612 6.175
238 HG1 THR 34 HG1 THR 34 0.035 2.342 4.966
239 HG21 THR 34 3HG2 THR 34 -1.278 5.095 6.405
240 HG22 THR 34 1HG2 THR 34 -0.087 4.771 7.664
241 HG23 THR 34 2HG2 THR 34 -1.071 3.456 7.022
242 H HIS 35 H HIS 35 0.759 4.366 2.799
243 HA HIS 35 HA HIS 35 3.365 3.494 2.318
244 HB2 HIS 35 1HB HIS 35 1.071 4.154 0.483
245 HB3 HIS 35 2HB HIS 35 2.618 3.595 -0.146
246 HD1 HIS 35 HD1 HIS 35 3.311 1.348 1.740
247 HD2 HIS 35 HD2 HIS 35 -0.535 1.985 0.303
248 HE1 HIS 35 HE1 HIS 35 2.144 -0.871 1.936
249 H THR 36 H THR 36 4.878 5.071 2.804
250 HA THR 36 HA THR 36 5.094 7.220 0.810
251 HB THR 36 HB THR 36 6.046 8.697 2.611
252 HG1 THR 36 HG1 THR 36 6.070 6.616 4.057
253 HG21 THR 36 3HG2 THR 36 3.917 9.347 1.989
254 HG22 THR 36 1HG2 THR 36 3.698 9.039 3.711
255 HG23 THR 36 2HG2 THR 36 3.184 7.836 2.528
256 H GLY 37 H GLY 37 6.385 4.738 0.684
257 HA2 GLY 37 1HA GLY 37 8.889 4.510 1.821
258 HA3 GLY 37 2HA GLY 37 8.479 3.916 0.219
259 H GLU 38 H GLU 38 8.008 6.297 -1.118
260 HA GLU 38 HA GLU 38 10.591 7.061 -1.867
261 HB2 GLU 38 1HB GLU 38 8.590 7.291 -3.305
262 HB3 GLU 38 2HB GLU 38 8.019 8.597 -2.276
263 HG2 GLU 38 1HG GLU 38 9.073 9.412 -4.329
264 HG3 GLU 38 2HG GLU 38 9.912 9.961 -2.879
265 H LYS 39 H LYS 39 8.188 8.821 0.082
266 HA LYS 39 HA LYS 39 8.446 10.356 1.750
267 HB2 LYS 39 1HB LYS 39 10.489 8.820 2.262
268 HB3 LYS 39 2HB LYS 39 11.433 10.131 1.568
269 HG2 LYS 39 1HG LYS 39 11.493 10.707 3.771
270 HG3 LYS 39 2HG LYS 39 10.053 11.590 3.260
271 HD2 LYS 39 1HD LYS 39 8.609 10.049 4.253
272 HD3 LYS 39 2HD LYS 39 9.850 8.797 4.332
273 HE2 LYS 39 1HE LYS 39 9.460 9.664 6.544
274 HE3 LYS 39 2HE LYS 39 11.061 10.165 6.002
275 HZ1 LYS 39 3HZ LYS 39 8.731 11.936 5.638
276 HZ2 LYS 39 1HZ LYS 39 10.372 12.340 5.711
277 HZ3 LYS 39 2HZ LYS 39 9.549 11.887 7.118
278 HA PRO 40 HA PRO 40 9.775 13.247 -1.743
279 HB2 PRO 40 1HB PRO 40 7.287 14.104 -2.410
280 HB3 PRO 40 2HB PRO 40 8.049 12.693 -3.155
281 HG2 PRO 40 1HG PRO 40 6.031 12.811 -0.947
282 HG3 PRO 40 2HG PRO 40 6.100 11.719 -2.343
283 HD2 PRO 40 1HD PRO 40 6.921 10.978 0.129
284 HD3 PRO 40 2HD PRO 40 7.669 10.351 -1.354
285 H SER 41 H SER 41 7.984 13.329 1.165
286 HA SER 41 HA SER 41 7.685 16.204 1.249
287 HB2 SER 41 1HB SER 41 5.980 14.894 2.340
288 HB3 SER 41 2HB SER 41 7.184 14.048 3.311
289 HG SER 41 HG SER 41 6.050 16.525 3.674
290 H GLY 42 H GLY 42 9.392 13.858 3.336
291 HA2 GLY 42 1HA GLY 42 11.227 14.136 4.701
292 HA3 GLY 42 2HA GLY 42 11.902 14.951 3.298
293 HA PRO 43 HA PRO 43 9.939 18.452 5.988
294 HB2 PRO 43 1HB PRO 43 8.954 17.734 8.414
295 HB3 PRO 43 2HB PRO 43 7.972 17.747 6.944
296 HG2 PRO 43 1HG PRO 43 9.309 15.442 8.309
297 HG3 PRO 43 2HG PRO 43 7.684 15.536 7.604
298 HD2 PRO 43 1HD PRO 43 9.763 14.370 6.320
299 HD3 PRO 43 2HD PRO 43 8.459 15.211 5.458
300 H SER 44 H SER 44 11.397 15.807 7.856
301 HA SER 44 HA SER 44 13.591 17.549 8.611
302 HB2 SER 44 1HB SER 44 11.657 17.656 10.369
303 HB3 SER 44 2HB SER 44 12.244 16.062 10.844
304 HG SER 44 HG SER 44 14.331 17.051 11.105
305 H SER 45 H SER 45 15.474 16.452 9.088
306 HA SER 45 HA SER 45 15.446 13.612 8.399
307 HB2 SER 45 1HB SER 45 17.854 13.850 8.074
308 HB3 SER 45 2HB SER 45 17.002 15.120 7.195
309 HG SER 45 HG SER 45 18.370 15.340 9.668
310 H GLY 46 H GLY 46 14.400 14.176 10.911
311 HA2 GLY 46 1HA GLY 46 15.576 12.361 12.571
312 HA3 GLY 46 2HA GLY 46 16.420 13.859 12.935
Start of MODEL 20
1 H1 GLY 1 H GLY 1 -15.984 -32.243 -13.192
2 HA2 GLY 1 1HA GLY 1 -15.066 -32.036 -10.391
3 HA3 GLY 1 2HA GLY 1 -14.437 -30.996 -11.660
4 H SER 2 H SER 2 -17.239 -31.756 -9.695
5 HA SER 2 HA SER 2 -18.994 -29.819 -10.728
6 HB2 SER 2 1HB SER 2 -18.811 -31.139 -8.018
7 HB3 SER 2 2HB SER 2 -20.100 -30.013 -8.441
8 HG SER 2 HG SER 2 -19.534 -32.550 -9.537
9 H SER 3 H SER 3 -17.084 -29.682 -7.715
10 HA SER 3 HA SER 3 -17.575 -27.074 -7.011
11 HB2 SER 3 1HB SER 3 -16.211 -28.855 -5.762
12 HB3 SER 3 2HB SER 3 -14.835 -28.298 -6.714
13 HG SER 3 HG SER 3 -14.677 -26.924 -5.113
14 H GLY 4 H GLY 4 -16.607 -25.080 -7.408
15 HA2 GLY 4 1HA GLY 4 -14.479 -24.838 -9.347
16 HA3 GLY 4 2HA GLY 4 -16.047 -24.311 -9.942
17 H SER 5 H SER 5 -13.932 -23.881 -7.106
18 HA SER 5 HA SER 5 -14.329 -20.994 -7.319
19 HB2 SER 5 1HB SER 5 -14.961 -20.710 -5.031
20 HB3 SER 5 2HB SER 5 -16.023 -21.952 -5.695
21 HG SER 5 HG SER 5 -14.675 -22.198 -3.551
22 H SER 6 H SER 6 -12.418 -20.034 -7.255
23 HA SER 6 HA SER 6 -10.300 -21.182 -5.570
24 HB2 SER 6 1HB SER 6 -10.061 -21.739 -8.065
25 HB3 SER 6 2HB SER 6 -9.720 -20.024 -8.294
26 HG SER 6 HG SER 6 -8.310 -21.491 -6.354
27 H GLY 7 H GLY 7 -10.163 -19.669 -4.016
28 HA2 GLY 7 1HA GLY 7 -9.932 -17.615 -3.004
29 HA3 GLY 7 2HA GLY 7 -8.842 -17.286 -4.342
30 H THR 8 H THR 8 -12.000 -16.772 -3.019
31 HA THR 8 HA THR 8 -12.503 -14.770 -5.121
32 HB THR 8 HB THR 8 -14.937 -15.219 -4.880
33 HG1 THR 8 HG1 THR 8 -14.468 -16.378 -2.748
34 HG21 THR 8 3HG2 THR 8 -14.179 -16.241 -6.786
35 HG22 THR 8 1HG2 THR 8 -14.728 -17.657 -5.891
36 HG23 THR 8 2HG2 THR 8 -13.014 -17.241 -5.919
37 H GLY 9 H GLY 9 -12.972 -12.773 -4.415
38 HA2 GLY 9 1HA GLY 9 -13.844 -12.443 -1.622
39 HA3 GLY 9 2HA GLY 9 -12.457 -11.541 -2.215
40 H GLU 10 H GLU 10 -15.176 -10.725 -1.210
41 HA GLU 10 HA GLU 10 -16.163 -9.305 -3.584
42 HB2 GLU 10 1HB GLU 10 -17.423 -10.026 -0.953
43 HB3 GLU 10 2HB GLU 10 -18.105 -8.760 -1.963
44 HG2 GLU 10 1HG GLU 10 -18.413 -10.332 -3.778
45 HG3 GLU 10 2HG GLU 10 -17.653 -11.607 -2.827
46 H LYS 11 H LYS 11 -13.751 -8.480 -2.299
47 HA LYS 11 HA LYS 11 -14.496 -6.059 -0.839
48 HB2 LYS 11 1HB LYS 11 -12.009 -7.661 -1.140
49 HB3 LYS 11 2HB LYS 11 -11.826 -5.935 -0.856
50 HG2 LYS 11 1HG LYS 11 -11.780 -6.780 1.280
51 HG3 LYS 11 2HG LYS 11 -13.481 -6.345 1.102
52 HD2 LYS 11 1HD LYS 11 -12.648 -9.089 0.316
53 HD3 LYS 11 2HD LYS 11 -12.730 -8.709 2.038
54 HE2 LYS 11 1HE LYS 11 -15.021 -7.921 0.314
55 HE3 LYS 11 2HE LYS 11 -14.825 -9.629 0.704
56 HZ1 LYS 11 3HZ LYS 11 -14.968 -7.441 2.706
57 HZ2 LYS 11 1HZ LYS 11 -14.881 -9.098 3.036
58 HZ3 LYS 11 2HZ LYS 11 -16.256 -8.456 2.289
59 HA PRO 12 HA PRO 12 -14.174 -4.013 -4.846
60 HB2 PRO 12 1HB PRO 12 -15.322 -1.702 -4.002
61 HB3 PRO 12 2HB PRO 12 -16.258 -3.136 -4.442
62 HG2 PRO 12 1HG PRO 12 -15.463 -2.152 -1.729
63 HG3 PRO 12 2HG PRO 12 -17.021 -2.805 -2.271
64 HD2 PRO 12 1HD PRO 12 -15.221 -4.285 -0.893
65 HD3 PRO 12 2HD PRO 12 -16.304 -4.989 -2.111
66 H TYR 13 H TYR 13 -12.645 -3.474 -1.896
67 HA TYR 13 HA TYR 13 -10.841 -1.520 -3.145
68 HB2 TYR 13 1HB TYR 13 -11.703 -1.392 -0.251
69 HB3 TYR 13 2HB TYR 13 -10.677 -0.245 -1.105
70 HD1 TYR 13 HD1 TYR 13 -11.673 1.214 -2.871
71 HD2 TYR 13 HD2 TYR 13 -14.071 -1.237 -0.352
72 HE1 TYR 13 HE1 TYR 13 -13.652 2.545 -3.470
73 HE2 TYR 13 HE2 TYR 13 -16.057 0.086 -0.945
74 HH TYR 13 HH TYR 13 -15.817 3.038 -2.781
75 H GLU 14 H GLU 14 -8.963 -2.535 -3.363
76 HA GLU 14 HA GLU 14 -7.847 -3.931 -1.042
77 HB2 GLU 14 1HB GLU 14 -8.685 -5.750 -2.319
78 HB3 GLU 14 2HB GLU 14 -8.112 -5.051 -3.827
79 HG2 GLU 14 1HG GLU 14 -6.106 -5.706 -1.740
80 HG3 GLU 14 2HG GLU 14 -6.847 -7.032 -2.635
81 H CYS 15 H CYS 15 -5.692 -3.641 -0.750
82 HA CYS 15 HA CYS 15 -4.409 -1.631 -2.386
83 HB2 CYS 15 1HB CYS 15 -4.270 -1.691 0.130
84 HB3 CYS 15 2HB CYS 15 -3.254 -3.120 -0.025
85 H LYS 16 H LYS 16 -2.151 -1.920 -3.118
86 HA LYS 16 HA LYS 16 -1.736 -4.650 -4.147
87 HB2 LYS 16 1HB LYS 16 -1.008 -1.975 -5.347
88 HB3 LYS 16 2HB LYS 16 -0.435 -3.512 -5.981
89 HG2 LYS 16 1HG LYS 16 -3.337 -2.757 -5.717
90 HG3 LYS 16 2HG LYS 16 -2.384 -2.590 -7.194
91 HD2 LYS 16 1HD LYS 16 -1.900 -5.058 -7.025
92 HD3 LYS 16 2HD LYS 16 -3.102 -5.127 -5.734
93 HE2 LYS 16 1HE LYS 16 -4.813 -4.315 -7.251
94 HE3 LYS 16 2HE LYS 16 -3.620 -4.138 -8.537
95 HZ1 LYS 16 3HZ LYS 16 -5.007 -6.488 -7.641
96 HZ2 LYS 16 1HZ LYS 16 -3.338 -6.723 -7.781
97 HZ3 LYS 16 2HZ LYS 16 -4.231 -6.187 -9.114
98 H VAL 17 H VAL 17 -0.394 -2.053 -2.333
99 HA VAL 17 HA VAL 17 2.346 -2.863 -2.530
100 HB VAL 17 HB VAL 17 0.987 -1.077 -0.507
101 HG11 VAL 17 1HG1 VAL 17 3.685 -2.132 -0.664
102 HG12 VAL 17 2HG1 VAL 17 3.656 -0.368 -0.671
103 HG13 VAL 17 3HG1 VAL 17 2.888 -1.259 0.644
104 HG21 VAL 17 3HG2 VAL 17 2.781 0.198 -2.381
105 HG22 VAL 17 1HG2 VAL 17 1.476 -0.650 -3.212
106 HG23 VAL 17 2HG2 VAL 17 1.101 0.574 -1.998
107 H CYS 18 H CYS 18 -0.113 -3.104 0.038
108 HA CYS 18 HA CYS 18 1.486 -5.270 1.238
109 HB2 CYS 18 1HB CYS 18 0.363 -4.700 3.377
110 HB3 CYS 18 2HB CYS 18 1.325 -3.371 2.738
111 H SER 19 H SER 19 -0.862 -5.061 -0.816
112 HA SER 19 HA SER 19 -2.769 -6.203 -1.341
113 HB2 SER 19 1HB SER 19 -0.930 -7.994 -1.146
114 HB3 SER 19 2HB SER 19 -1.687 -8.421 0.388
115 HG SER 19 HG SER 19 -3.509 -9.024 -0.669
116 H LYS 20 H LYS 20 -2.751 -4.627 1.189
117 HA LYS 20 HA LYS 20 -4.455 -6.071 3.011
118 HB2 LYS 20 1HB LYS 20 -2.855 -4.383 3.821
119 HB3 LYS 20 2HB LYS 20 -3.720 -3.138 2.929
120 HG2 LYS 20 1HG LYS 20 -5.603 -3.295 4.334
121 HG3 LYS 20 2HG LYS 20 -5.038 -4.806 5.050
122 HD2 LYS 20 1HD LYS 20 -3.301 -2.406 5.297
123 HD3 LYS 20 2HD LYS 20 -4.759 -2.480 6.289
124 HE2 LYS 20 1HE LYS 20 -3.259 -3.501 7.686
125 HE3 LYS 20 2HE LYS 20 -3.882 -4.902 6.815
126 HZ1 LYS 20 3HZ LYS 20 -1.807 -5.349 6.234
127 HZ2 LYS 20 1HZ LYS 20 -1.236 -3.913 6.923
128 HZ3 LYS 20 2HZ LYS 20 -1.770 -3.928 5.318
129 H ALA 21 H ALA 21 -6.544 -6.382 2.660
130 HA ALA 21 HA ALA 21 -7.993 -4.611 0.847
131 HB1 ALA 21 3HB ALA 21 -9.814 -6.367 1.151
132 HB2 ALA 21 1HB ALA 21 -8.344 -6.869 0.315
133 HB3 ALA 21 2HB ALA 21 -8.596 -7.316 2.003
134 H PHE 22 H PHE 22 -9.978 -3.632 1.403
135 HA PHE 22 HA PHE 22 -10.540 -3.447 4.283
136 HB2 PHE 22 1HB PHE 22 -10.499 -1.109 2.364
137 HB3 PHE 22 2HB PHE 22 -10.901 -1.039 4.076
138 HD1 PHE 22 HD2 PHE 22 -9.175 -1.232 5.769
139 HD2 PHE 22 HD1 PHE 22 -8.219 -1.336 1.623
140 HE1 PHE 22 HE2 PHE 22 -6.806 -0.847 6.310
141 HE2 PHE 22 HE1 PHE 22 -5.848 -0.953 2.157
142 HZ PHE 22 HZ PHE 22 -5.139 -0.707 4.502
143 H THR 23 H THR 23 -12.719 -2.449 4.704
144 HA THR 23 HA THR 23 -14.649 -3.645 2.866
145 HB THR 23 HB THR 23 -14.837 -4.224 5.248
146 HG1 THR 23 HG1 THR 23 -16.850 -4.374 4.603
147 HG21 THR 23 3HG2 THR 23 -14.161 -1.653 5.771
148 HG22 THR 23 1HG2 THR 23 -14.931 -2.728 6.938
149 HG23 THR 23 2HG2 THR 23 -15.907 -1.588 6.012
150 H GLN 24 H GLN 24 -13.719 -0.541 4.209
151 HA GLN 24 HA GLN 24 -15.659 0.749 2.405
152 HB2 GLN 24 1HB GLN 24 -14.974 1.327 5.248
153 HB3 GLN 24 2HB GLN 24 -15.360 2.683 4.197
154 HG2 GLN 24 1HG GLN 24 -17.157 0.297 4.480
155 HG3 GLN 24 2HG GLN 24 -17.262 1.703 5.538
156 HE21 GLN 24 1HE2 GLN 24 -18.952 0.431 3.299
157 HE22 GLN 24 2HE2 GLN 24 -19.410 1.788 2.334
158 H LYS 25 H LYS 25 -14.901 2.290 1.064
159 HA LYS 25 HA LYS 25 -12.245 2.466 0.375
160 HB2 LYS 25 1HB LYS 25 -12.816 4.310 -0.998
161 HB3 LYS 25 2HB LYS 25 -14.255 3.301 -0.926
162 HG2 LYS 25 1HG LYS 25 -15.213 5.328 -0.587
163 HG3 LYS 25 2HG LYS 25 -14.840 4.915 1.088
164 HD2 LYS 25 1HD LYS 25 -13.954 7.016 1.021
165 HD3 LYS 25 2HD LYS 25 -12.547 6.099 0.477
166 HE2 LYS 25 1HE LYS 25 -14.492 7.032 -1.569
167 HE3 LYS 25 2HE LYS 25 -13.430 8.229 -0.831
168 HZ1 LYS 25 3HZ LYS 25 -12.537 5.745 -2.192
169 HZ2 LYS 25 1HZ LYS 25 -11.526 6.912 -1.503
170 HZ3 LYS 25 2HZ LYS 25 -12.472 7.302 -2.849
171 H ALA 26 H ALA 26 -14.018 4.359 2.749
172 HA ALA 26 HA ALA 26 -12.276 6.431 3.241
173 HB1 ALA 26 3HB ALA 26 -13.164 6.432 5.551
174 HB2 ALA 26 1HB ALA 26 -14.424 6.308 4.324
175 HB3 ALA 26 2HB ALA 26 -13.928 4.876 5.227
176 H HIS 27 H HIS 27 -12.117 3.110 4.450
177 HA HIS 27 HA HIS 27 -9.909 3.509 6.174
178 HB2 HIS 27 1HB HIS 27 -11.148 1.082 4.904
179 HB3 HIS 27 2HB HIS 27 -9.668 0.950 5.850
180 HD1 HIS 27 HD1 HIS 27 -12.343 -0.391 6.712
181 HD2 HIS 27 HD2 HIS 27 -10.973 3.286 8.078
182 HE1 HIS 27 HE1 HIS 27 -13.482 -0.028 8.924
183 H LEU 28 H LEU 28 -10.149 2.320 2.837
184 HA LEU 28 HA LEU 28 -7.412 1.802 2.466
185 HB2 LEU 28 1HB LEU 28 -9.055 0.903 0.962
186 HB3 LEU 28 2HB LEU 28 -9.574 2.521 0.495
187 HG LEU 28 HG LEU 28 -7.116 2.758 -0.353
188 HD11 LEU 28 1HD1 LEU 28 -7.229 -0.009 0.442
189 HD12 LEU 28 2HD1 LEU 28 -5.853 0.951 -0.098
190 HD13 LEU 28 3HD1 LEU 28 -6.882 0.142 -1.280
191 HD21 LEU 28 3HD2 LEU 28 -9.179 2.772 -1.725
192 HD22 LEU 28 1HD2 LEU 28 -9.083 1.014 -1.830
193 HD23 LEU 28 2HD2 LEU 28 -7.809 2.010 -2.534
194 H ALA 29 H ALA 29 -9.337 4.607 1.387
195 HA ALA 29 HA ALA 29 -7.322 6.151 0.330
196 HB1 ALA 29 3HB ALA 29 -10.014 6.578 1.231
197 HB2 ALA 29 1HB ALA 29 -9.003 7.959 1.656
198 HB3 ALA 29 2HB ALA 29 -9.106 7.424 -0.022
199 H GLN 30 H GLN 30 -8.234 5.768 3.714
200 HA GLN 30 HA GLN 30 -6.434 7.783 4.665
201 HB2 GLN 30 1HB GLN 30 -8.132 5.680 5.960
202 HB3 GLN 30 2HB GLN 30 -6.917 6.530 6.904
203 HG2 GLN 30 1HG GLN 30 -8.809 8.144 5.287
204 HG3 GLN 30 2HG GLN 30 -9.410 7.370 6.753
205 HE21 GLN 30 1HE2 GLN 30 -7.284 9.773 5.440
206 HE22 GLN 30 2HE2 GLN 30 -6.925 10.568 6.931
207 H HIS 31 H HIS 31 -6.118 4.520 3.720
208 HA HIS 31 HA HIS 31 -3.698 4.087 5.286
209 HB2 HIS 31 1HB HIS 31 -4.855 2.094 5.230
210 HB3 HIS 31 2HB HIS 31 -5.471 2.374 3.604
211 HD1 HIS 31 HD1 HIS 31 -2.106 1.638 5.232
212 HD2 HIS 31 HD2 HIS 31 -4.230 0.855 1.748
213 HE1 HIS 31 HE1 HIS 31 -0.649 0.089 3.889
214 H GLN 32 H GLN 32 -4.559 3.765 1.836
215 HA GLN 32 HA GLN 32 -2.166 3.509 0.657
216 HB2 GLN 32 1HB GLN 32 -4.289 5.454 -0.264
217 HB3 GLN 32 2HB GLN 32 -3.017 4.773 -1.268
218 HG2 GLN 32 1HG GLN 32 -5.097 3.113 0.130
219 HG3 GLN 32 2HG GLN 32 -5.268 3.715 -1.518
220 HE21 GLN 32 1HE2 GLN 32 -4.751 2.303 -3.011
221 HE22 GLN 32 2HE2 GLN 32 -3.580 1.041 -2.869
222 H LYS 33 H LYS 33 -3.491 6.605 1.781
223 HA LYS 33 HA LYS 33 -1.729 8.444 0.956
224 HB2 LYS 33 1HB LYS 33 -2.230 9.741 2.843
225 HB3 LYS 33 2HB LYS 33 -3.621 8.677 2.679
226 HG2 LYS 33 1HG LYS 33 -2.578 7.182 4.386
227 HG3 LYS 33 2HG LYS 33 -1.346 8.422 4.630
228 HD2 LYS 33 1HD LYS 33 -3.382 9.999 4.990
229 HD3 LYS 33 2HD LYS 33 -4.268 8.498 5.273
230 HE2 LYS 33 1HE LYS 33 -1.712 9.171 6.709
231 HE3 LYS 33 2HE LYS 33 -3.296 9.656 7.314
232 HZ1 LYS 33 3HZ LYS 33 -3.824 7.550 7.883
233 HZ2 LYS 33 1HZ LYS 33 -2.144 7.377 7.980
234 HZ3 LYS 33 2HZ LYS 33 -2.969 6.850 6.602
235 H THR 34 H THR 34 -1.121 6.206 3.645
236 HA THR 34 HA THR 34 1.385 7.123 4.413
237 HB THR 34 HB THR 34 1.782 4.941 5.383
238 HG1 THR 34 HG1 THR 34 0.029 3.314 4.884
239 HG21 THR 34 3HG2 THR 34 0.310 5.518 6.950
240 HG22 THR 34 1HG2 THR 34 -0.968 4.741 6.017
241 HG23 THR 34 2HG2 THR 34 -0.612 6.450 5.771
242 H HIS 35 H HIS 35 0.601 4.586 2.039
243 HA HIS 35 HA HIS 35 3.189 3.916 1.292
244 HB2 HIS 35 1HB HIS 35 0.607 3.904 -0.267
245 HB3 HIS 35 2HB HIS 35 2.114 3.283 -0.933
246 HD1 HIS 35 HD1 HIS 35 3.072 1.901 1.755
247 HD2 HIS 35 HD2 HIS 35 -0.650 1.458 -0.038
248 HE1 HIS 35 HE1 HIS 35 2.182 -0.299 2.587
249 H THR 36 H THR 36 4.696 4.764 -0.043
250 HA THR 36 HA THR 36 4.640 7.514 -0.640
251 HB THR 36 HB THR 36 6.746 6.319 -0.309
252 HG1 THR 36 HG1 THR 36 7.748 7.103 -2.385
253 HG21 THR 36 3HG2 THR 36 7.588 4.689 -1.762
254 HG22 THR 36 1HG2 THR 36 6.431 5.089 -3.031
255 HG23 THR 36 2HG2 THR 36 5.890 4.250 -1.577
256 H GLY 37 H GLY 37 3.388 8.449 -2.118
257 HA2 GLY 37 1HA GLY 37 3.478 7.544 -4.860
258 HA3 GLY 37 2HA GLY 37 1.903 7.358 -4.103
259 H GLU 38 H GLU 38 4.280 9.950 -3.662
260 HA GLU 38 HA GLU 38 2.696 11.805 -5.215
261 HB2 GLU 38 1HB GLU 38 2.131 13.299 -3.454
262 HB3 GLU 38 2HB GLU 38 1.607 11.702 -2.942
263 HG2 GLU 38 1HG GLU 38 3.300 11.511 -1.366
264 HG3 GLU 38 2HG GLU 38 4.277 12.767 -2.123
265 H LYS 39 H LYS 39 3.742 13.857 -5.517
266 HA LYS 39 HA LYS 39 6.649 13.654 -5.193
267 HB2 LYS 39 1HB LYS 39 4.849 14.992 -7.154
268 HB3 LYS 39 2HB LYS 39 6.411 15.737 -6.837
269 HG2 LYS 39 1HG LYS 39 7.525 13.639 -7.438
270 HG3 LYS 39 2HG LYS 39 5.953 12.914 -7.783
271 HD2 LYS 39 1HD LYS 39 6.592 13.576 -9.888
272 HD3 LYS 39 2HD LYS 39 5.690 14.998 -9.358
273 HE2 LYS 39 1HE LYS 39 7.976 15.846 -8.509
274 HE3 LYS 39 2HE LYS 39 8.655 14.609 -9.566
275 HZ1 LYS 39 3HZ LYS 39 6.654 16.224 -10.846
276 HZ2 LYS 39 1HZ LYS 39 8.212 15.819 -11.367
277 HZ3 LYS 39 2HZ LYS 39 7.985 17.124 -10.316
278 HA PRO 40 HA PRO 40 6.713 16.821 -2.135
279 HB2 PRO 40 1HB PRO 40 9.269 17.676 -2.460
280 HB3 PRO 40 2HB PRO 40 8.861 16.138 -1.690
281 HG2 PRO 40 1HG PRO 40 9.753 16.674 -4.497
282 HG3 PRO 40 2HG PRO 40 10.257 15.383 -3.390
283 HD2 PRO 40 1HD PRO 40 8.446 14.985 -5.363
284 HD3 PRO 40 2HD PRO 40 8.383 14.111 -3.820
285 H SER 41 H SER 41 7.499 19.180 -1.925
286 HA SER 41 HA SER 41 6.591 20.617 -4.318
287 HB2 SER 41 1HB SER 41 5.438 20.906 -2.047
288 HB3 SER 41 2HB SER 41 6.882 21.791 -1.554
289 HG SER 41 HG SER 41 5.902 23.425 -2.441
290 H GLY 42 H GLY 42 7.565 22.973 -4.345
291 HA2 GLY 42 1HA GLY 42 10.389 22.618 -4.786
292 HA3 GLY 42 2HA GLY 42 9.458 24.075 -5.098
293 HA PRO 43 HA PRO 43 12.217 24.926 -1.489
294 HB2 PRO 43 1HB PRO 43 12.952 27.396 -2.345
295 HB3 PRO 43 2HB PRO 43 13.779 25.918 -2.852
296 HG2 PRO 43 1HG PRO 43 11.698 27.513 -4.296
297 HG3 PRO 43 2HG PRO 43 13.184 26.781 -4.927
298 HD2 PRO 43 1HD PRO 43 10.749 25.642 -5.248
299 HD3 PRO 43 2HD PRO 43 12.236 24.686 -5.082
300 H SER 44 H SER 44 9.815 26.933 -3.133
301 HA SER 44 HA SER 44 9.003 27.988 -0.503
302 HB2 SER 44 1HB SER 44 9.226 29.374 -3.162
303 HB3 SER 44 2HB SER 44 8.111 29.968 -1.932
304 HG SER 44 HG SER 44 10.141 29.778 -0.539
305 H SER 45 H SER 45 6.709 28.596 -0.361
306 HA SER 45 HA SER 45 5.027 26.496 -1.138
307 HB2 SER 45 1HB SER 45 3.281 27.675 -0.081
308 HB3 SER 45 2HB SER 45 4.731 28.190 0.781
309 HG SER 45 HG SER 45 4.338 30.147 0.155
310 H GLY 46 H GLY 46 3.879 26.100 -2.924
311 HA2 GLY 46 1HA GLY 46 2.555 27.858 -4.560
312 HA3 GLY 46 2HA GLY 46 4.185 27.792 -5.215