Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
504453 | 2em2 RC | 10167 | 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 11.720 -13.236 -16.318
2 HA2 GLY 1 1HA GLY 1 10.467 -14.371 -14.472
3 HA3 GLY 1 2HA GLY 1 9.502 -14.183 -15.929
4 H SER 2 H SER 2 11.305 -16.413 -13.942
5 HA SER 2 HA SER 2 10.303 -18.659 -15.555
6 HB2 SER 2 1HB SER 2 12.687 -18.298 -13.788
7 HB3 SER 2 2HB SER 2 11.995 -19.912 -13.947
8 HG SER 2 HG SER 2 12.258 -19.714 -16.211
9 H SER 3 H SER 3 10.589 -17.479 -12.227
10 HA SER 3 HA SER 3 9.188 -19.597 -11.004
11 HB2 SER 3 1HB SER 3 9.465 -16.726 -10.082
12 HB3 SER 3 2HB SER 3 8.969 -18.088 -9.076
13 HG SER 3 HG SER 3 11.252 -17.480 -8.972
14 H GLY 4 H GLY 4 7.045 -19.600 -10.112
15 HA2 GLY 4 1HA GLY 4 5.142 -18.251 -11.889
16 HA3 GLY 4 2HA GLY 4 4.799 -19.649 -10.881
17 H SER 5 H SER 5 3.271 -19.102 -9.476
18 HA SER 5 HA SER 5 3.732 -16.803 -7.740
19 HB2 SER 5 1HB SER 5 1.110 -17.216 -9.197
20 HB3 SER 5 2HB SER 5 1.462 -15.947 -8.024
21 HG SER 5 HG SER 5 1.665 -15.480 -10.400
22 H SER 6 H SER 6 3.027 -17.099 -5.681
23 HA SER 6 HA SER 6 1.419 -19.500 -5.123
24 HB2 SER 6 1HB SER 6 3.948 -18.606 -3.731
25 HB3 SER 6 2HB SER 6 2.838 -19.792 -3.045
26 HG SER 6 HG SER 6 3.288 -21.173 -4.702
27 H GLY 7 H GLY 7 2.684 -16.467 -3.750
28 HA2 GLY 7 1HA GLY 7 0.074 -16.117 -2.417
29 HA3 GLY 7 2HA GLY 7 1.577 -15.812 -1.558
30 H SER 8 H SER 8 -0.709 -14.609 -3.851
31 HA SER 8 HA SER 8 0.901 -12.203 -4.312
32 HB2 SER 8 1HB SER 8 -0.075 -13.313 -6.293
33 HB3 SER 8 2HB SER 8 -1.688 -13.071 -5.622
34 HG SER 8 HG SER 8 -0.279 -11.394 -7.096
35 H GLY 9 H GLY 9 -2.468 -13.054 -3.487
36 HA2 GLY 9 1HA GLY 9 -3.273 -12.003 -1.357
37 HA3 GLY 9 2HA GLY 9 -2.620 -10.504 -2.001
38 H GLU 10 H GLU 10 -5.332 -11.010 -1.174
39 HA GLU 10 HA GLU 10 -6.701 -10.624 -3.756
40 HB2 GLU 10 1HB GLU 10 -7.599 -12.083 -1.284
41 HB3 GLU 10 2HB GLU 10 -8.763 -11.454 -2.442
42 HG2 GLU 10 1HG GLU 10 -8.532 -13.561 -3.246
43 HG3 GLU 10 2HG GLU 10 -7.250 -12.763 -4.155
44 H LYS 11 H LYS 11 -6.271 -8.357 -3.538
45 HA LYS 11 HA LYS 11 -8.172 -7.040 -1.725
46 HB2 LYS 11 1HB LYS 11 -5.257 -6.442 -2.098
47 HB3 LYS 11 2HB LYS 11 -6.371 -5.151 -1.666
48 HG2 LYS 11 1HG LYS 11 -5.685 -5.799 0.406
49 HG3 LYS 11 2HG LYS 11 -7.091 -6.848 0.210
50 HD2 LYS 11 1HD LYS 11 -5.803 -8.731 -0.139
51 HD3 LYS 11 2HD LYS 11 -4.409 -7.802 -0.696
52 HE2 LYS 11 1HE LYS 11 -3.695 -8.446 1.388
53 HE3 LYS 11 2HE LYS 11 -4.428 -6.886 1.758
54 HZ1 LYS 11 3HZ LYS 11 -5.403 -9.587 2.368
55 HZ2 LYS 11 1HZ LYS 11 -6.530 -8.344 2.145
56 HZ3 LYS 11 2HZ LYS 11 -5.354 -8.214 3.354
57 HA PRO 12 HA PRO 12 -9.515 -5.005 -5.394
58 HB2 PRO 12 1HB PRO 12 -10.789 -2.895 -4.255
59 HB3 PRO 12 2HB PRO 12 -11.447 -4.536 -4.242
60 HG2 PRO 12 1HG PRO 12 -9.964 -3.072 -2.092
61 HG3 PRO 12 2HG PRO 12 -11.405 -4.097 -1.959
62 HD2 PRO 12 1HD PRO 12 -8.924 -4.985 -1.339
63 HD3 PRO 12 2HD PRO 12 -10.178 -6.047 -2.011
64 H PHE 13 H PHE 13 -7.694 -3.271 -2.940
65 HA PHE 13 HA PHE 13 -6.816 -1.351 -4.994
66 HB2 PHE 13 1HB PHE 13 -6.799 -1.046 -1.983
67 HB3 PHE 13 2HB PHE 13 -6.240 0.161 -3.137
68 HD1 PHE 13 HD1 PHE 13 -7.851 1.319 -4.594
69 HD2 PHE 13 HD2 PHE 13 -9.111 -1.353 -1.530
70 HE1 PHE 13 HE1 PHE 13 -10.125 2.250 -4.722
71 HE2 PHE 13 HE2 PHE 13 -11.387 -0.427 -1.654
72 HZ PHE 13 HZ PHE 13 -11.897 1.376 -3.252
73 H LYS 14 H LYS 14 -4.764 -1.415 -5.631
74 HA LYS 14 HA LYS 14 -2.758 -2.640 -3.871
75 HB2 LYS 14 1HB LYS 14 -3.319 -4.391 -5.406
76 HB3 LYS 14 2HB LYS 14 -3.246 -3.292 -6.777
77 HG2 LYS 14 1HG LYS 14 -0.836 -3.040 -6.445
78 HG3 LYS 14 2HG LYS 14 -0.913 -4.154 -5.078
79 HD2 LYS 14 1HD LYS 14 -1.921 -4.966 -7.782
80 HD3 LYS 14 2HD LYS 14 -0.203 -5.065 -7.389
81 HE2 LYS 14 1HE LYS 14 -0.863 -7.159 -6.762
82 HE3 LYS 14 2HE LYS 14 -1.124 -6.299 -5.245
83 HZ1 LYS 14 3HZ LYS 14 -2.970 -7.813 -6.401
84 HZ2 LYS 14 1HZ LYS 14 -3.361 -6.323 -7.099
85 HZ3 LYS 14 2HZ LYS 14 -3.347 -6.490 -5.416
86 H CYS 15 H CYS 15 -0.681 -1.815 -4.047
87 HA CYS 15 HA CYS 15 -0.511 0.847 -5.129
88 HB2 CYS 15 1HB CYS 15 0.522 0.058 -2.938
89 HB3 CYS 15 2HB CYS 15 1.743 -0.751 -3.916
90 H LYS 16 H LYS 16 0.314 1.444 -7.025
91 HA LYS 16 HA LYS 16 1.412 -0.604 -8.779
92 HB2 LYS 16 1HB LYS 16 0.458 2.219 -9.213
93 HB3 LYS 16 2HB LYS 16 1.326 1.336 -10.462
94 HG2 LYS 16 1HG LYS 16 -0.386 -0.304 -10.609
95 HG3 LYS 16 2HG LYS 16 -1.190 0.319 -9.166
96 HD2 LYS 16 1HD LYS 16 -2.486 1.290 -10.779
97 HD3 LYS 16 2HD LYS 16 -1.254 2.541 -10.599
98 HE2 LYS 16 1HE LYS 16 -0.101 1.800 -12.541
99 HE3 LYS 16 2HE LYS 16 -1.070 0.330 -12.633
100 HZ1 LYS 16 3HZ LYS 16 -2.597 1.387 -13.818
101 HZ2 LYS 16 1HZ LYS 16 -1.562 2.723 -13.906
102 HZ3 LYS 16 2HZ LYS 16 -2.725 2.634 -12.682
103 H GLU 17 H GLU 17 2.914 0.593 -6.472
104 HA GLU 17 HA GLU 17 5.250 1.531 -8.004
105 HB2 GLU 17 1HB GLU 17 4.194 2.453 -5.343
106 HB3 GLU 17 2HB GLU 17 5.878 2.689 -5.788
107 HG2 GLU 17 1HG GLU 17 3.610 3.651 -7.501
108 HG3 GLU 17 2HG GLU 17 4.303 4.622 -6.203
109 H CYS 18 H CYS 18 4.224 -0.058 -4.992
110 HA CYS 18 HA CYS 18 6.756 -1.565 -5.021
111 HB2 CYS 18 1HB CYS 18 6.315 -1.933 -2.578
112 HB3 CYS 18 2HB CYS 18 6.608 -0.254 -3.017
113 H GLY 19 H GLY 19 3.302 -1.857 -4.194
114 HA2 GLY 19 1HA GLY 19 2.215 -3.791 -5.405
115 HA3 GLY 19 2HA GLY 19 3.526 -4.752 -4.737
116 H LYS 20 H LYS 20 2.321 -2.253 -2.729
117 HA LYS 20 HA LYS 20 1.474 -4.112 -0.743
118 HB2 LYS 20 1HB LYS 20 2.391 -1.623 -0.575
119 HB3 LYS 20 2HB LYS 20 0.674 -1.242 -0.600
120 HG2 LYS 20 1HG LYS 20 1.607 -3.337 1.284
121 HG3 LYS 20 2HG LYS 20 1.983 -1.652 1.653
122 HD2 LYS 20 1HD LYS 20 -0.249 -1.065 1.861
123 HD3 LYS 20 2HD LYS 20 -0.803 -2.431 0.889
124 HE2 LYS 20 1HE LYS 20 -1.399 -3.077 3.027
125 HE3 LYS 20 2HE LYS 20 0.165 -3.866 2.823
126 HZ1 LYS 20 3HZ LYS 20 -0.355 -1.327 4.272
127 HZ2 LYS 20 1HZ LYS 20 1.182 -1.980 4.000
128 HZ3 LYS 20 2HZ LYS 20 0.068 -2.813 4.961
129 H ALA 21 H ALA 21 -0.601 -4.488 0.069
130 HA ALA 21 HA ALA 21 -2.770 -3.870 -1.825
131 HB1 ALA 21 3HB ALA 21 -2.491 -6.208 -1.753
132 HB2 ALA 21 1HB ALA 21 -2.339 -6.216 0.004
133 HB3 ALA 21 2HB ALA 21 -3.898 -5.870 -0.746
134 H PHE 22 H PHE 22 -4.843 -3.338 -0.999
135 HA PHE 22 HA PHE 22 -5.002 -2.646 1.837
136 HB2 PHE 22 1HB PHE 22 -5.922 -0.629 -0.185
137 HB3 PHE 22 2HB PHE 22 -5.524 -0.394 1.513
138 HD1 PHE 22 HD1 PHE 22 -4.006 -1.199 -1.778
139 HD2 PHE 22 HD2 PHE 22 -3.424 0.383 2.130
140 HE1 PHE 22 HE1 PHE 22 -1.748 -0.458 -2.417
141 HE2 PHE 22 HE2 PHE 22 -1.166 1.127 1.497
142 HZ PHE 22 HZ PHE 22 -0.326 0.708 -0.779
143 H ARG 23 H ARG 23 -7.329 -1.693 2.243
144 HA ARG 23 HA ARG 23 -9.216 -3.467 0.841
145 HB2 ARG 23 1HB ARG 23 -8.936 -2.669 3.698
146 HB3 ARG 23 2HB ARG 23 -10.558 -2.950 3.079
147 HG2 ARG 23 1HG ARG 23 -9.430 -5.168 2.174
148 HG3 ARG 23 2HG ARG 23 -8.338 -4.859 3.526
149 HD2 ARG 23 1HD ARG 23 -10.201 -4.815 5.067
150 HD3 ARG 23 2HD ARG 23 -11.343 -4.990 3.735
151 HE ARG 23 HE ARG 23 -9.834 -7.184 3.457
152 HH11 ARG 23 1HH1 ARG 23 -11.387 -5.776 6.237
153 HH12 ARG 23 2HH1 ARG 23 -11.629 -7.295 7.034
154 HH21 ARG 23 1HH2 ARG 23 -10.148 -9.190 4.496
155 HH22 ARG 23 2HH2 ARG 23 -10.923 -9.237 6.043
156 H GLN 24 H GLN 24 -8.667 -0.234 2.091
157 HA GLN 24 HA GLN 24 -11.116 0.663 0.721
158 HB2 GLN 24 1HB GLN 24 -9.719 1.703 3.173
159 HB3 GLN 24 2HB GLN 24 -10.837 2.708 2.261
160 HG2 GLN 24 1HG GLN 24 -12.203 1.840 3.884
161 HG3 GLN 24 2HG GLN 24 -12.465 0.710 2.556
162 HE21 GLN 24 1HE2 GLN 24 -13.099 -0.061 5.060
163 HE22 GLN 24 2HE2 GLN 24 -11.977 -1.243 5.634
164 H ASN 25 H ASN 25 -11.030 2.486 -0.592
165 HA ASN 25 HA ASN 25 -8.698 2.861 -2.088
166 HB2 ASN 25 1HB ASN 25 -9.871 4.787 -3.092
167 HB3 ASN 25 2HB ASN 25 -10.912 3.371 -2.982
168 HD21 ASN 25 1HD2 ASN 25 -11.414 6.330 -3.073
169 HD22 ASN 25 2HD2 ASN 25 -12.466 6.628 -1.735
170 H ILE 26 H ILE 26 -9.814 4.386 0.822
171 HA ILE 26 HA ILE 26 -8.164 6.700 0.683
172 HB ILE 26 HB ILE 26 -10.124 6.651 2.131
173 HG12 ILE 26 1HG1 ILE 26 -7.754 6.820 3.973
174 HG13 ILE 26 2HG1 ILE 26 -7.959 7.979 2.665
175 HG21 ILE 26 1HG2 ILE 26 -9.301 4.125 2.806
176 HG22 ILE 26 2HG2 ILE 26 -8.938 5.051 4.261
177 HG23 ILE 26 3HG2 ILE 26 -10.577 5.038 3.611
178 HD11 ILE 26 3HD1 ILE 26 -10.267 7.530 4.461
179 HD12 ILE 26 1HD1 ILE 26 -8.882 8.408 5.108
180 HD13 ILE 26 2HD1 ILE 26 -9.711 9.005 3.669
181 H HIS 27 H HIS 27 -7.736 3.452 1.938
182 HA HIS 27 HA HIS 27 -5.376 3.930 3.416
183 HB2 HIS 27 1HB HIS 27 -6.687 1.492 2.271
184 HB3 HIS 27 2HB HIS 27 -5.054 1.372 2.920
185 HD1 HIS 27 HD1 HIS 27 -5.176 0.431 5.193
186 HD2 HIS 27 HD2 HIS 27 -8.305 3.063 4.454
187 HE1 HIS 27 HE1 HIS 27 -6.482 0.542 7.339
188 H LEU 28 H LEU 28 -5.942 2.942 0.066
189 HA LEU 28 HA LEU 28 -3.208 2.556 -0.586
190 HB2 LEU 28 1HB LEU 28 -4.732 1.494 -1.997
191 HB3 LEU 28 2HB LEU 28 -5.711 2.948 -2.183
192 HG LEU 28 HG LEU 28 -3.732 3.914 -3.473
193 HD11 LEU 28 1HD1 LEU 28 -2.935 1.016 -3.349
194 HD12 LEU 28 2HD1 LEU 28 -1.988 2.425 -2.874
195 HD13 LEU 28 3HD1 LEU 28 -2.341 2.134 -4.577
196 HD21 LEU 28 3HD2 LEU 28 -5.684 1.872 -4.315
197 HD22 LEU 28 1HD2 LEU 28 -4.362 2.184 -5.440
198 HD23 LEU 28 2HD2 LEU 28 -5.410 3.505 -4.923
199 H ALA 29 H ALA 29 -5.456 5.242 -1.228
200 HA ALA 29 HA ALA 29 -3.658 6.933 -2.526
201 HB1 ALA 29 3HB ALA 29 -6.062 7.322 -2.515
202 HB2 ALA 29 1HB ALA 29 -6.006 7.686 -0.790
203 HB3 ALA 29 2HB ALA 29 -5.194 8.747 -1.942
204 H SER 30 H SER 30 -4.315 6.495 0.914
205 HA SER 30 HA SER 30 -2.647 8.655 1.761
206 HB2 SER 30 1HB SER 30 -4.487 7.845 3.166
207 HB3 SER 30 2HB SER 30 -3.698 6.274 3.312
208 HG SER 30 HG SER 30 -2.048 7.230 4.465
209 H HIS 31 H HIS 31 -2.064 5.458 0.729
210 HA HIS 31 HA HIS 31 0.470 5.209 2.130
211 HB2 HIS 31 1HB HIS 31 -0.620 3.142 1.952
212 HB3 HIS 31 2HB HIS 31 -1.095 3.430 0.281
213 HD1 HIS 31 HD1 HIS 31 1.852 2.390 2.367
214 HD2 HIS 31 HD2 HIS 31 0.754 2.651 -1.632
215 HE1 HIS 31 HE1 HIS 31 3.648 1.172 1.096
216 H LEU 32 H LEU 32 -0.643 5.390 -1.248
217 HA LEU 32 HA LEU 32 1.740 5.345 -2.582
218 HB2 LEU 32 1HB LEU 32 -0.667 7.072 -3.132
219 HB3 LEU 32 2HB LEU 32 0.663 6.840 -4.264
220 HG LEU 32 HG LEU 32 -0.917 4.506 -3.237
221 HD11 LEU 32 1HD1 LEU 32 -2.184 4.764 -5.450
222 HD12 LEU 32 2HD1 LEU 32 -1.658 6.446 -5.399
223 HD13 LEU 32 3HD1 LEU 32 -2.657 5.796 -4.100
224 HD21 LEU 32 3HD2 LEU 32 0.539 4.960 -5.837
225 HD22 LEU 32 1HD2 LEU 32 -0.147 3.447 -5.245
226 HD23 LEU 32 2HD2 LEU 32 1.241 4.165 -4.427
227 H ARG 33 H ARG 33 0.595 7.779 -0.440
228 HA ARG 33 HA ARG 33 2.113 9.972 -1.375
229 HB2 ARG 33 1HB ARG 33 1.522 9.660 1.534
230 HB3 ARG 33 2HB ARG 33 1.404 11.088 0.515
231 HG2 ARG 33 1HG ARG 33 -0.523 9.661 -0.615
232 HG3 ARG 33 2HG ARG 33 -0.559 8.921 0.987
233 HD2 ARG 33 1HD ARG 33 -2.119 10.720 0.998
234 HD3 ARG 33 2HD ARG 33 -0.724 11.225 1.951
235 HE ARG 33 HE ARG 33 -0.189 12.171 -0.539
236 HH11 ARG 33 1HH1 ARG 33 -2.879 12.476 1.648
237 HH12 ARG 33 2HH1 ARG 33 -3.326 14.053 1.086
238 HH21 ARG 33 1HH2 ARG 33 -0.766 14.247 -1.288
239 HH22 ARG 33 2HH2 ARG 33 -2.124 15.059 -0.584
240 H ILE 34 H ILE 34 2.804 7.372 0.907
241 HA ILE 34 HA ILE 34 5.153 8.293 2.036
242 HB ILE 34 HB ILE 34 5.704 6.043 2.567
243 HG12 ILE 34 1HG1 ILE 34 4.134 4.243 1.368
244 HG13 ILE 34 2HG1 ILE 34 4.180 5.442 0.080
245 HG21 ILE 34 1HG2 ILE 34 3.978 6.183 3.967
246 HG22 ILE 34 2HG2 ILE 34 2.968 6.973 2.757
247 HG23 ILE 34 3HG2 ILE 34 3.074 5.213 2.804
248 HD11 ILE 34 3HD1 ILE 34 6.794 5.284 0.649
249 HD12 ILE 34 1HD1 ILE 34 6.287 3.652 1.082
250 HD13 ILE 34 2HD1 ILE 34 5.988 4.266 -0.544
251 H HIS 35 H HIS 35 4.567 7.171 -1.186
252 HA HIS 35 HA HIS 35 7.306 6.641 -1.841
253 HB2 HIS 35 1HB HIS 35 4.810 6.975 -3.499
254 HB3 HIS 35 2HB HIS 35 6.392 6.706 -4.225
255 HD1 HIS 35 HD1 HIS 35 7.426 4.354 -3.974
256 HD2 HIS 35 HD2 HIS 35 3.671 4.747 -2.241
257 HE1 HIS 35 HE1 HIS 35 6.669 2.009 -3.473
258 H THR 36 H THR 36 5.124 9.382 -2.130
259 HA THR 36 HA THR 36 6.440 11.034 -3.866
260 HB THR 36 HB THR 36 4.287 11.474 -2.507
261 HG1 THR 36 HG1 THR 36 6.151 13.591 -2.935
262 HG21 THR 36 3HG2 THR 36 5.946 13.175 -0.737
263 HG22 THR 36 1HG2 THR 36 5.888 11.454 -0.359
264 HG23 THR 36 2HG2 THR 36 4.396 12.392 -0.429
265 H GLY 37 H GLY 37 8.115 12.516 -3.767
266 HA2 GLY 37 1HA GLY 37 9.881 13.694 -2.750
267 HA3 GLY 37 2HA GLY 37 9.667 12.720 -1.303
268 H GLU 38 H GLU 38 11.289 13.030 -4.329
269 HA GLU 38 HA GLU 38 12.720 10.504 -3.833
270 HB2 GLU 38 1HB GLU 38 12.448 12.051 -6.417
271 HB3 GLU 38 2HB GLU 38 13.324 10.540 -6.214
272 HG2 GLU 38 1HG GLU 38 11.386 9.298 -5.957
273 HG3 GLU 38 2HG GLU 38 10.422 10.709 -5.526
274 H LYS 39 H LYS 39 14.050 11.611 -2.264
275 HA LYS 39 HA LYS 39 16.324 12.923 -3.543
276 HB2 LYS 39 1HB LYS 39 14.751 14.075 -1.240
277 HB3 LYS 39 2HB LYS 39 16.393 14.578 -1.618
278 HG2 LYS 39 1HG LYS 39 14.127 14.725 -3.589
279 HG3 LYS 39 2HG LYS 39 14.575 16.052 -2.513
280 HD2 LYS 39 1HD LYS 39 16.649 16.346 -3.551
281 HD3 LYS 39 2HD LYS 39 16.601 14.751 -4.305
282 HE2 LYS 39 1HE LYS 39 15.119 15.433 -5.949
283 HE3 LYS 39 2HE LYS 39 14.532 16.796 -4.998
284 HZ1 LYS 39 3HZ LYS 39 16.892 16.598 -6.699
285 HZ2 LYS 39 1HZ LYS 39 17.043 17.525 -5.292
286 HZ3 LYS 39 2HZ LYS 39 15.856 17.909 -6.433
287 HA PRO 40 HA PRO 40 18.565 10.193 -0.910
288 HB2 PRO 40 1HB PRO 40 20.983 11.425 -0.992
289 HB3 PRO 40 2HB PRO 40 20.330 10.500 -2.349
290 HG2 PRO 40 1HG PRO 40 20.345 13.461 -1.908
291 HG3 PRO 40 2HG PRO 40 20.686 12.549 -3.390
292 HD2 PRO 40 1HD PRO 40 18.301 13.747 -2.934
293 HD3 PRO 40 2HD PRO 40 18.452 12.245 -3.868
294 H SER 41 H SER 41 18.382 13.623 -0.273
295 HA SER 41 HA SER 41 18.389 13.119 2.576
296 HB2 SER 41 1HB SER 41 20.164 14.765 3.061
297 HB3 SER 41 2HB SER 41 20.784 13.398 2.136
298 HG SER 41 HG SER 41 21.252 15.751 1.492
299 H GLY 42 H GLY 42 16.918 14.378 3.520
300 HA2 GLY 42 1HA GLY 42 15.718 16.526 1.959
301 HA3 GLY 42 2HA GLY 42 15.082 15.837 3.445
302 HA PRO 43 HA PRO 43 16.824 20.008 4.441
303 HB2 PRO 43 1HB PRO 43 14.719 20.774 5.974
304 HB3 PRO 43 2HB PRO 43 14.759 20.991 4.221
305 HG2 PRO 43 1HG PRO 43 13.423 18.853 5.834
306 HG3 PRO 43 2HG PRO 43 12.808 19.744 4.430
307 HD2 PRO 43 1HD PRO 43 13.812 17.236 4.239
308 HD3 PRO 43 2HD PRO 43 13.962 18.427 2.931
309 H SER 44 H SER 44 16.104 17.156 6.042
310 HA SER 44 HA SER 44 16.743 18.134 8.706
311 HB2 SER 44 1HB SER 44 14.991 16.371 8.313
312 HB3 SER 44 2HB SER 44 16.284 15.276 7.825
313 HG SER 44 HG SER 44 15.880 16.476 10.359
314 H SER 45 H SER 45 18.665 17.934 9.696
315 HA SER 45 HA SER 45 21.051 17.821 8.513
316 HB2 SER 45 1HB SER 45 22.056 17.213 10.596
317 HB3 SER 45 2HB SER 45 20.595 18.120 10.989
318 HG SER 45 HG SER 45 20.504 16.349 12.260
319 H GLY 46 H GLY 46 19.227 14.949 9.517
320 HA2 GLY 46 1HA GLY 46 19.355 12.765 8.821
321 HA3 GLY 46 2HA GLY 46 20.200 13.360 7.400
Start of MODEL 2
1 H1 GLY 1 H GLY 1 3.691 -14.029 -3.736
2 HA2 GLY 1 1HA GLY 1 2.427 -15.858 -3.165
3 HA3 GLY 1 2HA GLY 1 3.919 -16.579 -2.580
4 H SER 2 H SER 2 0.889 -15.522 -1.706
5 HA SER 2 HA SER 2 1.684 -15.208 1.113
6 HB2 SER 2 1HB SER 2 -0.510 -14.050 1.407
7 HB3 SER 2 2HB SER 2 0.575 -13.217 0.294
8 HG SER 2 HG SER 2 -1.866 -13.921 -0.194
9 H SER 3 H SER 3 0.983 -16.647 2.566
10 HA SER 3 HA SER 3 -1.054 -18.595 1.701
11 HB2 SER 3 1HB SER 3 1.471 -19.299 2.078
12 HB3 SER 3 2HB SER 3 0.976 -19.322 3.771
13 HG SER 3 HG SER 3 0.634 -21.351 2.872
14 H GLY 4 H GLY 4 -2.862 -17.846 2.678
15 HA2 GLY 4 1HA GLY 4 -3.747 -18.396 5.085
16 HA3 GLY 4 2HA GLY 4 -2.724 -17.025 5.487
17 H SER 5 H SER 5 -4.536 -15.861 6.237
18 HA SER 5 HA SER 5 -6.273 -14.398 6.084
19 HB2 SER 5 1HB SER 5 -5.019 -14.138 3.357
20 HB3 SER 5 2HB SER 5 -6.437 -13.191 3.807
21 HG SER 5 HG SER 5 -4.935 -12.786 5.790
22 H SER 6 H SER 6 -6.990 -17.059 5.822
23 HA SER 6 HA SER 6 -8.719 -17.436 3.563
24 HB2 SER 6 1HB SER 6 -8.209 -18.980 6.097
25 HB3 SER 6 2HB SER 6 -9.517 -19.430 5.003
26 HG SER 6 HG SER 6 -6.764 -19.622 4.667
27 H GLY 7 H GLY 7 -10.770 -16.820 3.341
28 HA2 GLY 7 1HA GLY 7 -12.782 -15.816 3.814
29 HA3 GLY 7 2HA GLY 7 -12.766 -16.833 5.247
30 H SER 8 H SER 8 -10.550 -14.197 4.440
31 HA SER 8 HA SER 8 -11.335 -12.888 6.947
32 HB2 SER 8 1HB SER 8 -8.969 -13.410 6.801
33 HB3 SER 8 2HB SER 8 -8.848 -12.586 5.247
34 HG SER 8 HG SER 8 -9.507 -10.653 6.406
35 H GLY 9 H GLY 9 -10.272 -11.910 3.678
36 HA2 GLY 9 1HA GLY 9 -12.501 -10.287 3.146
37 HA3 GLY 9 2HA GLY 9 -11.243 -9.279 3.847
38 H GLU 10 H GLU 10 -11.878 -8.480 1.471
39 HA GLU 10 HA GLU 10 -9.928 -9.689 -0.378
40 HB2 GLU 10 1HB GLU 10 -12.270 -9.813 -1.151
41 HB3 GLU 10 2HB GLU 10 -12.386 -8.062 -1.048
42 HG2 GLU 10 1HG GLU 10 -12.002 -8.420 -3.292
43 HG3 GLU 10 2HG GLU 10 -10.391 -8.054 -2.676
44 H LYS 11 H LYS 11 -8.587 -8.327 -1.595
45 HA LYS 11 HA LYS 11 -8.491 -5.518 -0.722
46 HB2 LYS 11 1HB LYS 11 -6.055 -7.236 -1.206
47 HB3 LYS 11 2HB LYS 11 -6.091 -5.593 -0.579
48 HG2 LYS 11 1HG LYS 11 -7.374 -6.495 1.391
49 HG3 LYS 11 2HG LYS 11 -7.000 -8.111 0.788
50 HD2 LYS 11 1HD LYS 11 -5.288 -7.734 2.304
51 HD3 LYS 11 2HD LYS 11 -4.547 -7.264 0.773
52 HE2 LYS 11 1HE LYS 11 -4.692 -4.995 1.258
53 HE3 LYS 11 2HE LYS 11 -5.950 -5.235 2.469
54 HZ1 LYS 11 3HZ LYS 11 -3.790 -6.649 3.394
55 HZ2 LYS 11 1HZ LYS 11 -4.335 -5.154 3.968
56 HZ3 LYS 11 2HZ LYS 11 -3.122 -5.217 2.791
57 HA PRO 12 HA PRO 12 -8.621 -5.801 -5.346
58 HB2 PRO 12 1HB PRO 12 -10.416 -3.787 -5.645
59 HB3 PRO 12 2HB PRO 12 -10.893 -5.465 -5.362
60 HG2 PRO 12 1HG PRO 12 -10.703 -3.196 -3.418
61 HG3 PRO 12 2HG PRO 12 -11.965 -4.432 -3.576
62 HD2 PRO 12 1HD PRO 12 -10.020 -4.567 -1.697
63 HD3 PRO 12 2HD PRO 12 -10.734 -6.014 -2.438
64 H PHE 13 H PHE 13 -7.993 -3.332 -3.010
65 HA PHE 13 HA PHE 13 -6.920 -1.491 -4.997
66 HB2 PHE 13 1HB PHE 13 -7.106 -1.264 -1.985
67 HB3 PHE 13 2HB PHE 13 -6.531 0.004 -3.062
68 HD1 PHE 13 HD1 PHE 13 -8.125 0.972 -4.750
69 HD2 PHE 13 HD2 PHE 13 -9.391 -1.556 -1.569
70 HE1 PHE 13 HE1 PHE 13 -10.430 1.787 -5.025
71 HE2 PHE 13 HE2 PHE 13 -11.698 -0.746 -1.839
72 HZ PHE 13 HZ PHE 13 -12.221 0.927 -3.569
73 H LYS 14 H LYS 14 -4.924 -1.784 -5.708
74 HA LYS 14 HA LYS 14 -2.877 -2.725 -3.808
75 HB2 LYS 14 1HB LYS 14 -3.528 -4.435 -5.529
76 HB3 LYS 14 2HB LYS 14 -2.938 -3.334 -6.767
77 HG2 LYS 14 1HG LYS 14 -0.732 -3.388 -5.403
78 HG3 LYS 14 2HG LYS 14 -1.406 -4.868 -4.716
79 HD2 LYS 14 1HD LYS 14 -0.117 -5.585 -6.543
80 HD3 LYS 14 2HD LYS 14 -1.782 -5.613 -7.129
81 HE2 LYS 14 1HE LYS 14 -1.479 -3.758 -8.471
82 HE3 LYS 14 2HE LYS 14 -0.123 -3.161 -7.516
83 HZ1 LYS 14 3HZ LYS 14 -0.079 -4.789 -9.819
84 HZ2 LYS 14 1HZ LYS 14 0.638 -5.625 -8.535
85 HZ3 LYS 14 2HZ LYS 14 1.220 -4.101 -8.982
86 H CYS 15 H CYS 15 -0.737 -1.936 -4.146
87 HA CYS 15 HA CYS 15 -0.713 0.769 -5.200
88 HB2 CYS 15 1HB CYS 15 0.313 0.031 -2.965
89 HB3 CYS 15 2HB CYS 15 1.614 -0.662 -3.928
90 H LYS 16 H LYS 16 0.001 1.292 -7.151
91 HA LYS 16 HA LYS 16 1.271 -0.717 -8.810
92 HB2 LYS 16 1HB LYS 16 -0.577 1.010 -9.480
93 HB3 LYS 16 2HB LYS 16 0.781 2.109 -9.682
94 HG2 LYS 16 1HG LYS 16 1.776 0.242 -11.160
95 HG3 LYS 16 2HG LYS 16 0.124 -0.379 -11.205
96 HD2 LYS 16 1HD LYS 16 0.644 2.502 -11.811
97 HD3 LYS 16 2HD LYS 16 0.954 1.279 -13.045
98 HE2 LYS 16 1HE LYS 16 -1.658 1.363 -11.579
99 HE3 LYS 16 2HE LYS 16 -1.365 2.413 -12.964
100 HZ1 LYS 16 3HZ LYS 16 -0.641 0.183 -14.066
101 HZ2 LYS 16 1HZ LYS 16 -2.280 0.593 -13.968
102 HZ3 LYS 16 2HZ LYS 16 -1.616 -0.508 -12.869
103 H GLU 17 H GLU 17 2.694 0.563 -6.513
104 HA GLU 17 HA GLU 17 4.996 1.612 -8.024
105 HB2 GLU 17 1HB GLU 17 3.870 2.457 -5.369
106 HB3 GLU 17 2HB GLU 17 5.555 2.754 -5.771
107 HG2 GLU 17 1HG GLU 17 3.248 3.689 -7.455
108 HG3 GLU 17 2HG GLU 17 4.012 4.664 -6.202
109 H CYS 18 H CYS 18 4.002 -0.116 -5.086
110 HA CYS 18 HA CYS 18 6.569 -1.562 -5.177
111 HB2 CYS 18 1HB CYS 18 6.315 -1.839 -2.698
112 HB3 CYS 18 2HB CYS 18 6.574 -0.177 -3.216
113 H GLY 19 H GLY 19 3.132 -1.754 -4.333
114 HA2 GLY 19 1HA GLY 19 2.089 -3.808 -5.410
115 HA3 GLY 19 2HA GLY 19 3.325 -4.693 -4.529
116 H LYS 20 H LYS 20 2.736 -2.366 -2.443
117 HA LYS 20 HA LYS 20 1.443 -3.858 -0.542
118 HB2 LYS 20 1HB LYS 20 2.541 -1.445 -0.492
119 HB3 LYS 20 2HB LYS 20 0.864 -0.931 -0.628
120 HG2 LYS 20 1HG LYS 20 1.045 -0.979 1.630
121 HG3 LYS 20 2HG LYS 20 0.560 -2.654 1.359
122 HD2 LYS 20 1HD LYS 20 3.462 -2.013 1.297
123 HD3 LYS 20 2HD LYS 20 2.650 -2.026 2.864
124 HE2 LYS 20 1HE LYS 20 2.821 -4.275 0.866
125 HE3 LYS 20 2HE LYS 20 3.557 -4.207 2.466
126 HZ1 LYS 20 3HZ LYS 20 0.737 -4.616 1.739
127 HZ2 LYS 20 1HZ LYS 20 1.117 -3.933 3.239
128 HZ3 LYS 20 2HZ LYS 20 1.694 -5.472 2.840
129 H ALA 21 H ALA 21 -0.607 -4.405 -0.057
130 HA ALA 21 HA ALA 21 -2.703 -3.521 -1.918
131 HB1 ALA 21 3HB ALA 21 -1.974 -6.061 -1.108
132 HB2 ALA 21 1HB ALA 21 -3.430 -5.721 -0.173
133 HB3 ALA 21 2HB ALA 21 -3.467 -5.614 -1.933
134 H PHE 22 H PHE 22 -4.904 -3.288 -1.005
135 HA PHE 22 HA PHE 22 -5.071 -2.646 1.819
136 HB2 PHE 22 1HB PHE 22 -5.944 -0.500 -0.085
137 HB3 PHE 22 2HB PHE 22 -5.552 -0.374 1.627
138 HD1 PHE 22 HD1 PHE 22 -4.046 -0.936 -1.715
139 HD2 PHE 22 HD2 PHE 22 -3.426 0.284 2.316
140 HE1 PHE 22 HE1 PHE 22 -1.777 -0.183 -2.296
141 HE2 PHE 22 HE2 PHE 22 -1.156 1.040 1.741
142 HZ PHE 22 HZ PHE 22 -0.329 0.807 -0.567
143 H ARG 23 H ARG 23 -7.380 -1.779 2.295
144 HA ARG 23 HA ARG 23 -9.253 -3.452 0.764
145 HB2 ARG 23 1HB ARG 23 -8.814 -3.780 3.308
146 HB3 ARG 23 2HB ARG 23 -9.829 -2.357 3.497
147 HG2 ARG 23 1HG ARG 23 -11.690 -3.458 2.496
148 HG3 ARG 23 2HG ARG 23 -10.688 -4.830 2.017
149 HD2 ARG 23 1HD ARG 23 -10.448 -5.565 4.237
150 HD3 ARG 23 2HD ARG 23 -11.017 -4.031 4.893
151 HE ARG 23 HE ARG 23 -13.039 -5.237 3.330
152 HH11 ARG 23 1HH1 ARG 23 -11.413 -5.530 6.394
153 HH12 ARG 23 2HH1 ARG 23 -12.763 -6.272 7.187
154 HH21 ARG 23 1HH2 ARG 23 -14.823 -6.214 4.363
155 HH22 ARG 23 2HH2 ARG 23 -14.702 -6.661 6.031
156 H GLN 24 H GLN 24 -8.641 -0.233 1.962
157 HA GLN 24 HA GLN 24 -11.066 0.701 0.572
158 HB2 GLN 24 1HB GLN 24 -9.698 2.060 2.897
159 HB3 GLN 24 2HB GLN 24 -11.211 2.536 2.138
160 HG2 GLN 24 1HG GLN 24 -12.076 0.237 2.841
161 HG3 GLN 24 2HG GLN 24 -10.659 0.170 3.887
162 HE21 GLN 24 1HE2 GLN 24 -13.471 0.219 4.604
163 HE22 GLN 24 2HE2 GLN 24 -13.692 1.604 5.613
164 H ASN 25 H ASN 25 -10.893 2.413 -0.821
165 HA ASN 25 HA ASN 25 -8.509 2.831 -2.174
166 HB2 ASN 25 1HB ASN 25 -9.629 4.786 -3.201
167 HB3 ASN 25 2HB ASN 25 -10.666 3.363 -3.168
168 HD21 ASN 25 1HD2 ASN 25 -11.528 6.045 -3.438
169 HD22 ASN 25 2HD2 ASN 25 -12.511 6.422 -2.068
170 H ILE 26 H ILE 26 -9.781 4.415 0.657
171 HA ILE 26 HA ILE 26 -8.131 6.708 0.619
172 HB ILE 26 HB ILE 26 -10.094 6.637 2.035
173 HG12 ILE 26 1HG1 ILE 26 -7.880 6.678 4.040
174 HG13 ILE 26 2HG1 ILE 26 -7.813 7.814 2.697
175 HG21 ILE 26 1HG2 ILE 26 -10.278 5.210 3.964
176 HG22 ILE 26 2HG2 ILE 26 -9.985 4.215 2.539
177 HG23 ILE 26 3HG2 ILE 26 -8.673 4.542 3.671
178 HD11 ILE 26 3HD1 ILE 26 -9.907 8.779 3.337
179 HD12 ILE 26 1HD1 ILE 26 -10.143 7.549 4.579
180 HD13 ILE 26 2HD1 ILE 26 -8.846 8.734 4.745
181 H HIS 27 H HIS 27 -7.717 3.480 1.988
182 HA HIS 27 HA HIS 27 -5.370 3.971 3.447
183 HB2 HIS 27 1HB HIS 27 -6.723 1.558 2.350
184 HB3 HIS 27 2HB HIS 27 -5.036 1.391 2.830
185 HD1 HIS 27 HD1 HIS 27 -4.538 1.264 5.303
186 HD2 HIS 27 HD2 HIS 27 -8.497 2.230 4.498
187 HE1 HIS 27 HE1 HIS 27 -5.727 1.125 7.514
188 H LEU 28 H LEU 28 -5.804 2.739 0.137
189 HA LEU 28 HA LEU 28 -3.083 2.465 -0.480
190 HB2 LEU 28 1HB LEU 28 -4.459 1.394 -1.975
191 HB3 LEU 28 2HB LEU 28 -5.590 2.743 -2.063
192 HG LEU 28 HG LEU 28 -3.832 3.980 -3.383
193 HD11 LEU 28 1HD1 LEU 28 -2.596 1.247 -3.654
194 HD12 LEU 28 2HD1 LEU 28 -1.947 2.532 -2.635
195 HD13 LEU 28 3HD1 LEU 28 -2.042 2.755 -4.381
196 HD21 LEU 28 3HD2 LEU 28 -5.710 3.075 -4.529
197 HD22 LEU 28 1HD2 LEU 28 -5.053 1.440 -4.445
198 HD23 LEU 28 2HD2 LEU 28 -4.276 2.651 -5.465
199 H ALA 29 H ALA 29 -5.321 5.128 -1.259
200 HA ALA 29 HA ALA 29 -3.512 6.822 -2.504
201 HB1 ALA 29 3HB ALA 29 -6.176 6.984 -1.561
202 HB2 ALA 29 1HB ALA 29 -5.314 8.409 -0.980
203 HB3 ALA 29 2HB ALA 29 -5.351 8.042 -2.705
204 H SER 30 H SER 30 -4.257 6.475 0.939
205 HA SER 30 HA SER 30 -2.631 8.621 1.817
206 HB2 SER 30 1HB SER 30 -4.331 7.829 3.299
207 HB3 SER 30 2HB SER 30 -3.710 6.180 3.234
208 HG SER 30 HG SER 30 -2.448 6.677 4.823
209 H HIS 31 H HIS 31 -1.945 5.387 0.848
210 HA HIS 31 HA HIS 31 0.637 5.293 2.160
211 HB2 HIS 31 1HB HIS 31 -0.310 3.168 2.035
212 HB3 HIS 31 2HB HIS 31 -0.918 3.425 0.402
213 HD1 HIS 31 HD1 HIS 31 2.314 2.731 2.236
214 HD2 HIS 31 HD2 HIS 31 0.734 2.547 -1.602
215 HE1 HIS 31 HE1 HIS 31 4.051 1.554 0.850
216 H LEU 32 H LEU 32 -0.566 5.425 -1.187
217 HA LEU 32 HA LEU 32 1.742 5.432 -2.618
218 HB2 LEU 32 1HB LEU 32 -0.693 7.159 -3.001
219 HB3 LEU 32 2HB LEU 32 0.599 7.023 -4.191
220 HG LEU 32 HG LEU 32 -0.993 4.654 -3.233
221 HD11 LEU 32 1HD1 LEU 32 -1.643 6.720 -5.262
222 HD12 LEU 32 2HD1 LEU 32 -2.708 5.777 -4.220
223 HD13 LEU 32 3HD1 LEU 32 -1.995 5.036 -5.652
224 HD21 LEU 32 3HD2 LEU 32 0.445 4.973 -5.843
225 HD22 LEU 32 1HD2 LEU 32 -0.037 3.495 -5.009
226 HD23 LEU 32 2HD2 LEU 32 1.302 4.460 -4.388
227 H ARG 33 H ARG 33 0.640 7.893 -0.445
228 HA ARG 33 HA ARG 33 2.220 10.040 -1.381
229 HB2 ARG 33 1HB ARG 33 1.584 9.753 1.524
230 HB3 ARG 33 2HB ARG 33 1.532 11.185 0.505
231 HG2 ARG 33 1HG ARG 33 -0.425 9.831 -0.659
232 HG3 ARG 33 2HG ARG 33 -0.513 9.087 0.939
233 HD2 ARG 33 1HD ARG 33 -0.344 12.052 0.765
234 HD3 ARG 33 2HD ARG 33 -1.871 11.276 0.348
235 HE ARG 33 HE ARG 33 -1.219 10.158 2.731
236 HH11 ARG 33 1HH1 ARG 33 -1.525 13.439 1.607
237 HH12 ARG 33 2HH1 ARG 33 -2.010 14.060 3.149
238 HH21 ARG 33 1HH2 ARG 33 -1.857 10.964 4.767
239 HH22 ARG 33 2HH2 ARG 33 -2.197 12.652 4.947
240 H ILE 34 H ILE 34 2.793 7.552 1.080
241 HA ILE 34 HA ILE 34 5.165 8.400 2.160
242 HB ILE 34 HB ILE 34 5.616 6.185 2.809
243 HG12 ILE 34 1HG1 ILE 34 4.161 4.333 1.554
244 HG13 ILE 34 2HG1 ILE 34 4.278 5.495 0.237
245 HG21 ILE 34 1HG2 ILE 34 3.666 5.607 3.869
246 HG22 ILE 34 2HG2 ILE 34 3.299 7.264 3.393
247 HG23 ILE 34 3HG2 ILE 34 2.672 5.915 2.445
248 HD11 ILE 34 3HD1 ILE 34 6.119 4.262 -0.209
249 HD12 ILE 34 1HD1 ILE 34 6.841 5.414 0.914
250 HD13 ILE 34 2HD1 ILE 34 6.366 3.812 1.478
251 H HIS 35 H HIS 35 4.588 7.195 -1.037
252 HA HIS 35 HA HIS 35 7.272 6.509 -1.678
253 HB2 HIS 35 1HB HIS 35 4.863 7.153 -3.377
254 HB3 HIS 35 2HB HIS 35 6.424 6.719 -4.068
255 HD1 HIS 35 HD1 HIS 35 6.903 4.282 -4.305
256 HD2 HIS 35 HD2 HIS 35 3.714 5.021 -1.747
257 HE1 HIS 35 HE1 HIS 35 5.936 2.024 -3.766
258 H THR 36 H THR 36 5.388 9.462 -1.856
259 HA THR 36 HA THR 36 6.666 11.112 -3.522
260 HB THR 36 HB THR 36 4.891 11.729 -1.793
261 HG1 THR 36 HG1 THR 36 5.446 13.439 -2.975
262 HG21 THR 36 3HG2 THR 36 7.334 12.399 -0.150
263 HG22 THR 36 1HG2 THR 36 6.224 11.072 0.188
264 HG23 THR 36 2HG2 THR 36 5.656 12.740 0.271
265 H GLY 37 H GLY 37 8.039 9.792 -0.588
266 HA2 GLY 37 1HA GLY 37 10.149 11.337 0.042
267 HA3 GLY 37 2HA GLY 37 10.282 9.586 -0.036
268 H GLU 38 H GLU 38 11.227 8.612 -1.840
269 HA GLU 38 HA GLU 38 12.465 10.434 -3.787
270 HB2 GLU 38 1HB GLU 38 14.017 9.631 -1.887
271 HB3 GLU 38 2HB GLU 38 13.946 8.063 -2.679
272 HG2 GLU 38 1HG GLU 38 14.695 10.499 -4.235
273 HG3 GLU 38 2HG GLU 38 15.885 9.686 -3.219
274 H LYS 39 H LYS 39 12.978 9.493 -5.820
275 HA LYS 39 HA LYS 39 11.839 6.840 -6.334
276 HB2 LYS 39 1HB LYS 39 10.770 7.712 -8.405
277 HB3 LYS 39 2HB LYS 39 10.069 8.364 -6.930
278 HG2 LYS 39 1HG LYS 39 11.741 10.321 -7.329
279 HG3 LYS 39 2HG LYS 39 11.748 9.718 -8.988
280 HD2 LYS 39 1HD LYS 39 9.340 9.974 -9.121
281 HD3 LYS 39 2HD LYS 39 9.276 10.478 -7.430
282 HE2 LYS 39 1HE LYS 39 10.846 11.946 -9.539
283 HE3 LYS 39 2HE LYS 39 9.175 12.335 -9.132
284 HZ1 LYS 39 3HZ LYS 39 10.766 13.740 -7.951
285 HZ2 LYS 39 1HZ LYS 39 11.450 12.374 -7.222
286 HZ3 LYS 39 2HZ LYS 39 9.851 12.806 -6.877
287 HA PRO 40 HA PRO 40 15.607 6.326 -8.572
288 HB2 PRO 40 1HB PRO 40 14.919 4.107 -9.978
289 HB3 PRO 40 2HB PRO 40 15.303 4.071 -8.252
290 HG2 PRO 40 1HG PRO 40 12.629 4.108 -9.598
291 HG3 PRO 40 2HG PRO 40 13.172 3.142 -8.214
292 HD2 PRO 40 1HD PRO 40 11.672 5.378 -7.931
293 HD3 PRO 40 2HD PRO 40 12.875 4.877 -6.726
294 H SER 41 H SER 41 12.498 6.513 -10.182
295 HA SER 41 HA SER 41 13.536 8.144 -12.268
296 HB2 SER 41 1HB SER 41 13.068 6.642 -14.163
297 HB3 SER 41 2HB SER 41 14.325 5.978 -13.118
298 HG SER 41 HG SER 41 13.068 4.280 -13.187
299 H GLY 42 H GLY 42 11.936 9.296 -13.257
300 HA2 GLY 42 1HA GLY 42 9.370 8.694 -13.850
301 HA3 GLY 42 2HA GLY 42 9.286 9.040 -12.129
302 HA PRO 43 HA PRO 43 9.450 12.948 -14.949
303 HB2 PRO 43 1HB PRO 43 6.823 13.300 -15.537
304 HB3 PRO 43 2HB PRO 43 7.930 12.403 -16.583
305 HG2 PRO 43 1HG PRO 43 5.955 11.369 -14.585
306 HG3 PRO 43 2HG PRO 43 6.308 10.777 -16.219
307 HD2 PRO 43 1HD PRO 43 7.299 9.592 -13.994
308 HD3 PRO 43 2HD PRO 43 8.184 9.627 -15.532
309 H SER 44 H SER 44 8.562 15.044 -14.349
310 HA SER 44 HA SER 44 6.797 15.317 -12.125
311 HB2 SER 44 1HB SER 44 9.761 15.483 -11.672
312 HB3 SER 44 2HB SER 44 8.662 16.476 -10.714
313 HG SER 44 HG SER 44 9.211 13.835 -10.505
314 H SER 45 H SER 45 6.496 17.576 -11.497
315 HA SER 45 HA SER 45 6.552 19.287 -13.779
316 HB2 SER 45 1HB SER 45 4.851 19.175 -11.779
317 HB3 SER 45 2HB SER 45 5.967 20.313 -11.024
318 HG SER 45 HG SER 45 5.703 21.647 -12.887
319 H GLY 46 H GLY 46 7.918 20.900 -14.303
320 HA2 GLY 46 1HA GLY 46 10.343 21.162 -12.702
321 HA3 GLY 46 2HA GLY 46 10.101 21.770 -14.333
Start of MODEL 3
1 H1 GLY 1 H GLY 1 19.452 -8.379 -1.329
2 HA2 GLY 1 1HA GLY 1 18.504 -9.276 -3.519
3 HA3 GLY 1 2HA GLY 1 19.781 -10.475 -3.379
4 H SER 2 H SER 2 17.662 -9.136 -0.869
5 HA SER 2 HA SER 2 16.126 -11.575 -0.703
6 HB2 SER 2 1HB SER 2 18.082 -10.809 1.471
7 HB3 SER 2 2HB SER 2 16.745 -11.931 1.723
8 HG SER 2 HG SER 2 18.833 -12.230 -0.179
9 H SER 3 H SER 3 14.136 -10.814 -0.499
10 HA SER 3 HA SER 3 13.586 -8.814 1.566
11 HB2 SER 3 1HB SER 3 13.105 -8.508 -1.360
12 HB3 SER 3 2HB SER 3 11.877 -7.887 -0.258
13 HG SER 3 HG SER 3 13.144 -6.226 -0.090
14 H GLY 4 H GLY 4 11.604 -9.016 2.551
15 HA2 GLY 4 1HA GLY 4 10.317 -11.561 2.302
16 HA3 GLY 4 2HA GLY 4 9.836 -10.251 3.370
17 H SER 5 H SER 5 8.924 -8.286 2.064
18 HA SER 5 HA SER 5 7.270 -7.437 0.748
19 HB2 SER 5 1HB SER 5 8.683 -8.714 -1.038
20 HB3 SER 5 2HB SER 5 7.351 -9.869 -1.013
21 HG SER 5 HG SER 5 6.689 -7.175 -1.231
22 H SER 6 H SER 6 6.548 -8.833 3.017
23 HA SER 6 HA SER 6 4.591 -10.822 2.590
24 HB2 SER 6 1HB SER 6 3.888 -10.323 4.918
25 HB3 SER 6 2HB SER 6 5.634 -10.523 4.773
26 HG SER 6 HG SER 6 5.896 -8.524 5.366
27 H GLY 7 H GLY 7 2.250 -10.478 3.326
28 HA2 GLY 7 1HA GLY 7 0.665 -8.404 3.437
29 HA3 GLY 7 2HA GLY 7 1.191 -8.230 1.769
30 H SER 8 H SER 8 -0.951 -8.488 1.035
31 HA SER 8 HA SER 8 -1.728 -11.279 0.764
32 HB2 SER 8 1HB SER 8 -2.927 -10.367 2.789
33 HB3 SER 8 2HB SER 8 -3.741 -9.230 1.713
34 HG SER 8 HG SER 8 -5.044 -10.770 1.160
35 H GLY 9 H GLY 9 -2.942 -11.712 -1.078
36 HA2 GLY 9 1HA GLY 9 -3.119 -9.450 -2.966
37 HA3 GLY 9 2HA GLY 9 -2.854 -11.123 -3.433
38 H GLU 10 H GLU 10 -5.236 -9.625 -1.254
39 HA GLU 10 HA GLU 10 -7.360 -10.620 -3.030
40 HB2 GLU 10 1HB GLU 10 -7.115 -10.955 -0.048
41 HB3 GLU 10 2HB GLU 10 -8.670 -11.050 -0.864
42 HG2 GLU 10 1HG GLU 10 -6.332 -12.758 -1.649
43 HG3 GLU 10 2HG GLU 10 -7.485 -13.234 -0.403
44 H LYS 11 H LYS 11 -6.054 -7.945 -2.391
45 HA LYS 11 HA LYS 11 -8.449 -6.491 -1.495
46 HB2 LYS 11 1HB LYS 11 -5.528 -5.960 -1.310
47 HB3 LYS 11 2HB LYS 11 -6.591 -4.571 -1.496
48 HG2 LYS 11 1HG LYS 11 -6.312 -4.812 0.809
49 HG3 LYS 11 2HG LYS 11 -7.899 -5.510 0.474
50 HD2 LYS 11 1HD LYS 11 -7.007 -7.736 0.580
51 HD3 LYS 11 2HD LYS 11 -5.358 -7.119 0.701
52 HE2 LYS 11 1HE LYS 11 -5.601 -6.512 2.892
53 HE3 LYS 11 2HE LYS 11 -7.336 -6.236 2.736
54 HZ1 LYS 11 3HZ LYS 11 -6.192 -8.956 2.574
55 HZ2 LYS 11 1HZ LYS 11 -7.786 -8.498 2.912
56 HZ3 LYS 11 2HZ LYS 11 -6.573 -8.251 4.064
57 HA PRO 12 HA PRO 12 -9.132 -4.992 -5.578
58 HB2 PRO 12 1HB PRO 12 -10.523 -2.738 -4.983
59 HB3 PRO 12 2HB PRO 12 -11.212 -4.359 -4.836
60 HG2 PRO 12 1HG PRO 12 -10.061 -2.590 -2.713
61 HG3 PRO 12 2HG PRO 12 -11.528 -3.585 -2.666
62 HD2 PRO 12 1HD PRO 12 -9.199 -4.368 -1.528
63 HD3 PRO 12 2HD PRO 12 -10.353 -5.520 -2.231
64 H PHE 13 H PHE 13 -7.650 -2.946 -3.145
65 HA PHE 13 HA PHE 13 -6.564 -1.199 -5.239
66 HB2 PHE 13 1HB PHE 13 -6.515 -0.827 -2.237
67 HB3 PHE 13 2HB PHE 13 -5.999 0.349 -3.441
68 HD1 PHE 13 HD1 PHE 13 -7.703 1.343 -4.980
69 HD2 PHE 13 HD2 PHE 13 -8.767 -1.011 -1.597
70 HE1 PHE 13 HE1 PHE 13 -9.984 2.262 -5.062
71 HE2 PHE 13 HE2 PHE 13 -11.049 -0.096 -1.674
72 HZ PHE 13 HZ PHE 13 -11.661 1.542 -3.408
73 H LYS 14 H LYS 14 -4.527 -1.417 -5.877
74 HA LYS 14 HA LYS 14 -2.590 -2.673 -4.057
75 HB2 LYS 14 1HB LYS 14 -3.349 -4.351 -5.693
76 HB3 LYS 14 2HB LYS 14 -2.880 -3.279 -7.006
77 HG2 LYS 14 1HG LYS 14 -0.826 -4.031 -4.994
78 HG3 LYS 14 2HG LYS 14 -1.315 -5.229 -6.194
79 HD2 LYS 14 1HD LYS 14 -0.671 -2.482 -7.137
80 HD3 LYS 14 2HD LYS 14 0.665 -3.525 -6.644
81 HE2 LYS 14 1HE LYS 14 -0.099 -5.241 -8.211
82 HE3 LYS 14 2HE LYS 14 -1.440 -4.205 -8.696
83 HZ1 LYS 14 3HZ LYS 14 1.180 -4.234 -9.690
84 HZ2 LYS 14 1HZ LYS 14 0.920 -2.735 -8.950
85 HZ3 LYS 14 2HZ LYS 14 -0.117 -3.263 -10.178
86 H CYS 15 H CYS 15 -0.912 -1.383 -3.731
87 HA CYS 15 HA CYS 15 -0.500 1.051 -5.018
88 HB2 CYS 15 1HB CYS 15 0.420 0.275 -2.769
89 HB3 CYS 15 2HB CYS 15 1.689 -0.536 -3.681
90 H LYS 16 H LYS 16 0.337 1.584 -6.919
91 HA LYS 16 HA LYS 16 1.545 -0.474 -8.574
92 HB2 LYS 16 1HB LYS 16 -0.203 1.402 -9.238
93 HB3 LYS 16 2HB LYS 16 1.254 2.355 -9.484
94 HG2 LYS 16 1HG LYS 16 2.032 0.931 -11.178
95 HG3 LYS 16 2HG LYS 16 0.888 -0.342 -10.745
96 HD2 LYS 16 1HD LYS 16 -0.096 2.340 -11.641
97 HD3 LYS 16 2HD LYS 16 0.421 1.138 -12.826
98 HE2 LYS 16 1HE LYS 16 -1.159 -0.472 -11.685
99 HE3 LYS 16 2HE LYS 16 -1.790 0.912 -10.795
100 HZ1 LYS 16 3HZ LYS 16 -2.585 0.053 -13.280
101 HZ2 LYS 16 1HZ LYS 16 -1.675 1.446 -13.585
102 HZ3 LYS 16 2HZ LYS 16 -3.000 1.515 -12.537
103 H GLU 17 H GLU 17 2.958 0.710 -6.228
104 HA GLU 17 HA GLU 17 5.348 1.662 -7.665
105 HB2 GLU 17 1HB GLU 17 4.173 2.583 -5.056
106 HB3 GLU 17 2HB GLU 17 5.882 2.801 -5.405
107 HG2 GLU 17 1HG GLU 17 3.764 3.774 -7.285
108 HG3 GLU 17 2HG GLU 17 4.293 4.735 -5.906
109 H CYS 18 H CYS 18 4.161 -0.016 -4.772
110 HA CYS 18 HA CYS 18 6.709 -1.496 -4.685
111 HB2 CYS 18 1HB CYS 18 6.267 -1.843 -2.277
112 HB3 CYS 18 2HB CYS 18 6.412 -0.138 -2.689
113 H GLY 19 H GLY 19 3.212 -1.761 -4.098
114 HA2 GLY 19 1HA GLY 19 2.132 -3.663 -5.291
115 HA3 GLY 19 2HA GLY 19 3.449 -4.651 -4.674
116 H LYS 20 H LYS 20 2.001 -2.179 -2.702
117 HA LYS 20 HA LYS 20 1.218 -4.165 -0.757
118 HB2 LYS 20 1HB LYS 20 2.230 -1.739 -0.419
119 HB3 LYS 20 2HB LYS 20 0.534 -1.277 -0.445
120 HG2 LYS 20 1HG LYS 20 1.338 -3.522 1.322
121 HG3 LYS 20 2HG LYS 20 1.783 -1.881 1.798
122 HD2 LYS 20 1HD LYS 20 -0.463 -1.186 1.893
123 HD3 LYS 20 2HD LYS 20 -1.023 -2.599 0.995
124 HE2 LYS 20 1HE LYS 20 0.155 -2.626 3.773
125 HE3 LYS 20 2HE LYS 20 -1.558 -2.760 3.383
126 HZ1 LYS 20 3HZ LYS 20 0.487 -4.766 3.318
127 HZ2 LYS 20 1HZ LYS 20 -0.403 -4.707 1.880
128 HZ3 LYS 20 2HZ LYS 20 -1.196 -4.942 3.356
129 H ALA 21 H ALA 21 -0.872 -4.520 0.024
130 HA ALA 21 HA ALA 21 -3.002 -3.760 -1.856
131 HB1 ALA 21 3HB ALA 21 -3.918 -5.789 -0.127
132 HB2 ALA 21 1HB ALA 21 -3.536 -5.912 -1.845
133 HB3 ALA 21 2HB ALA 21 -2.292 -6.243 -0.638
134 H PHE 22 H PHE 22 -4.936 -2.914 -1.124
135 HA PHE 22 HA PHE 22 -5.133 -2.291 1.738
136 HB2 PHE 22 1HB PHE 22 -5.903 -0.248 -0.325
137 HB3 PHE 22 2HB PHE 22 -5.562 -0.015 1.387
138 HD1 PHE 22 HD1 PHE 22 -3.976 -0.861 -1.855
139 HD2 PHE 22 HD2 PHE 22 -3.432 0.603 2.104
140 HE1 PHE 22 HE1 PHE 22 -1.662 -0.236 -2.408
141 HE2 PHE 22 HE2 PHE 22 -1.117 1.231 1.557
142 HZ PHE 22 HZ PHE 22 -0.229 0.812 -0.702
143 H ARG 23 H ARG 23 -7.148 -2.426 2.588
144 HA ARG 23 HA ARG 23 -9.155 -3.778 1.105
145 HB2 ARG 23 1HB ARG 23 -10.537 -3.478 3.147
146 HB3 ARG 23 2HB ARG 23 -8.950 -4.160 3.479
147 HG2 ARG 23 1HG ARG 23 -8.213 -1.801 4.043
148 HG3 ARG 23 2HG ARG 23 -9.925 -1.373 4.015
149 HD2 ARG 23 1HD ARG 23 -9.652 -1.861 6.237
150 HD3 ARG 23 2HD ARG 23 -10.139 -3.439 5.619
151 HE ARG 23 HE ARG 23 -7.462 -3.562 5.449
152 HH11 ARG 23 1HH1 ARG 23 -9.600 -2.612 8.027
153 HH12 ARG 23 2HH1 ARG 23 -8.524 -3.126 9.284
154 HH21 ARG 23 1HH2 ARG 23 -6.037 -4.242 7.095
155 HH22 ARG 23 2HH2 ARG 23 -6.497 -4.052 8.753
156 H GLN 24 H GLN 24 -8.677 -0.429 2.074
157 HA GLN 24 HA GLN 24 -11.008 0.306 0.428
158 HB2 GLN 24 1HB GLN 24 -9.986 1.677 2.921
159 HB3 GLN 24 2HB GLN 24 -11.283 2.283 1.899
160 HG2 GLN 24 1HG GLN 24 -11.451 -0.442 3.116
161 HG3 GLN 24 2HG GLN 24 -11.869 0.992 4.051
162 HE21 GLN 24 1HE2 GLN 24 -13.315 2.550 2.689
163 HE22 GLN 24 2HE2 GLN 24 -14.679 1.794 1.944
164 H ASN 25 H ASN 25 -10.876 2.437 -0.585
165 HA ASN 25 HA ASN 25 -8.434 2.798 -1.950
166 HB2 ASN 25 1HB ASN 25 -9.545 4.956 -2.740
167 HB3 ASN 25 2HB ASN 25 -10.400 3.457 -3.093
168 HD21 ASN 25 1HD2 ASN 25 -10.838 6.514 -2.131
169 HD22 ASN 25 2HD2 ASN 25 -12.279 6.343 -1.193
170 H ILE 26 H ILE 26 -9.968 4.604 0.686
171 HA ILE 26 HA ILE 26 -8.323 6.769 0.926
172 HB ILE 26 HB ILE 26 -10.247 6.414 2.387
173 HG12 ILE 26 1HG1 ILE 26 -7.820 6.624 4.159
174 HG13 ILE 26 2HG1 ILE 26 -8.236 7.894 3.013
175 HG21 ILE 26 1HG2 ILE 26 -8.644 4.555 4.093
176 HG22 ILE 26 2HG2 ILE 26 -10.389 4.797 4.034
177 HG23 ILE 26 3HG2 ILE 26 -9.574 3.931 2.731
178 HD11 ILE 26 3HD1 ILE 26 -9.020 8.090 5.458
179 HD12 ILE 26 1HD1 ILE 26 -10.151 8.478 4.162
180 HD13 ILE 26 2HD1 ILE 26 -10.254 6.922 4.986
181 H HIS 27 H HIS 27 -7.746 3.542 2.307
182 HA HIS 27 HA HIS 27 -5.316 4.104 3.565
183 HB2 HIS 27 1HB HIS 27 -6.613 1.614 2.536
184 HB3 HIS 27 2HB HIS 27 -4.930 1.544 3.050
185 HD1 HIS 27 HD1 HIS 27 -7.253 0.053 4.525
186 HD2 HIS 27 HD2 HIS 27 -5.661 3.724 5.645
187 HE1 HIS 27 HE1 HIS 27 -7.767 0.289 6.976
188 H LEU 28 H LEU 28 -5.892 2.710 0.336
189 HA LEU 28 HA LEU 28 -3.246 2.483 -0.472
190 HB2 LEU 28 1HB LEU 28 -4.821 1.449 -1.836
191 HB3 LEU 28 2HB LEU 28 -5.815 2.900 -1.950
192 HG LEU 28 HG LEU 28 -4.037 3.919 -3.376
193 HD11 LEU 28 1HD1 LEU 28 -2.225 2.704 -4.175
194 HD12 LEU 28 2HD1 LEU 28 -2.916 1.159 -3.684
195 HD13 LEU 28 3HD1 LEU 28 -2.284 2.267 -2.467
196 HD21 LEU 28 3HD2 LEU 28 -4.930 3.042 -5.285
197 HD22 LEU 28 1HD2 LEU 28 -6.106 2.450 -4.111
198 HD23 LEU 28 2HD2 LEU 28 -4.834 1.380 -4.702
199 H ALA 29 H ALA 29 -5.490 5.186 -1.077
200 HA ALA 29 HA ALA 29 -3.688 6.862 -2.392
201 HB1 ALA 29 3HB ALA 29 -6.110 7.502 -0.723
202 HB2 ALA 29 1HB ALA 29 -5.217 8.710 -1.648
203 HB3 ALA 29 2HB ALA 29 -6.008 7.370 -2.479
204 H SER 30 H SER 30 -4.258 6.346 1.038
205 HA SER 30 HA SER 30 -2.613 8.539 1.882
206 HB2 SER 30 1HB SER 30 -3.745 6.170 3.385
207 HB3 SER 30 2HB SER 30 -2.848 7.484 4.147
208 HG SER 30 HG SER 30 -5.290 7.694 2.715
209 H HIS 31 H HIS 31 -2.007 5.404 0.753
210 HA HIS 31 HA HIS 31 0.558 5.181 2.132
211 HB2 HIS 31 1HB HIS 31 -0.604 3.118 2.079
212 HB3 HIS 31 2HB HIS 31 -1.017 3.304 0.377
213 HD1 HIS 31 HD1 HIS 31 1.632 2.059 2.640
214 HD2 HIS 31 HD2 HIS 31 1.115 2.739 -1.426
215 HE1 HIS 31 HE1 HIS 31 3.524 0.848 1.510
216 H LEU 32 H LEU 32 -0.766 5.495 -1.133
217 HA LEU 32 HA LEU 32 1.485 5.255 -2.673
218 HB2 LEU 32 1HB LEU 32 -0.835 7.150 -2.943
219 HB3 LEU 32 2HB LEU 32 0.410 6.978 -4.178
220 HG LEU 32 HG LEU 32 -1.401 4.756 -3.236
221 HD11 LEU 32 1HD1 LEU 32 -2.714 5.082 -5.142
222 HD12 LEU 32 2HD1 LEU 32 -1.531 6.157 -5.885
223 HD13 LEU 32 3HD1 LEU 32 -2.469 6.704 -4.496
224 HD21 LEU 32 3HD2 LEU 32 1.045 4.713 -4.638
225 HD22 LEU 32 1HD2 LEU 32 -0.228 4.374 -5.811
226 HD23 LEU 32 2HD2 LEU 32 -0.077 3.379 -4.362
227 H ARG 33 H ARG 33 0.447 8.061 -0.796
228 HA ARG 33 HA ARG 33 2.258 9.950 -1.701
229 HB2 ARG 33 1HB ARG 33 1.892 11.122 0.363
230 HB3 ARG 33 2HB ARG 33 0.378 10.363 -0.110
231 HG2 ARG 33 1HG ARG 33 0.759 8.571 1.493
232 HG3 ARG 33 2HG ARG 33 2.298 9.303 1.953
233 HD2 ARG 33 1HD ARG 33 -0.191 10.938 2.100
234 HD3 ARG 33 2HD ARG 33 0.121 9.739 3.355
235 HE ARG 33 HE ARG 33 2.434 11.068 3.310
236 HH11 ARG 33 1HH1 ARG 33 -0.857 12.203 3.352
237 HH12 ARG 33 2HH1 ARG 33 -0.481 13.662 4.207
238 HH21 ARG 33 1HH2 ARG 33 2.941 12.985 4.438
239 HH22 ARG 33 2HH2 ARG 33 1.680 14.106 4.824
240 H ILE 34 H ILE 34 2.746 7.240 0.442
241 HA ILE 34 HA ILE 34 5.179 8.006 1.609
242 HB ILE 34 HB ILE 34 5.441 5.793 2.310
243 HG12 ILE 34 1HG1 ILE 34 3.875 4.026 1.029
244 HG13 ILE 34 2HG1 ILE 34 4.166 5.149 -0.295
245 HG21 ILE 34 1HG2 ILE 34 2.690 5.175 2.211
246 HG22 ILE 34 2HG2 ILE 34 3.594 5.917 3.530
247 HG23 ILE 34 3HG2 ILE 34 2.826 6.931 2.307
248 HD11 ILE 34 3HD1 ILE 34 5.773 3.059 0.411
249 HD12 ILE 34 1HD1 ILE 34 6.256 4.441 -0.572
250 HD13 ILE 34 2HD1 ILE 34 6.582 4.434 1.161
251 H HIS 35 H HIS 35 4.458 7.281 -1.605
252 HA HIS 35 HA HIS 35 7.257 6.603 -2.204
253 HB2 HIS 35 1HB HIS 35 4.719 6.176 -3.784
254 HB3 HIS 35 2HB HIS 35 6.327 5.932 -4.461
255 HD1 HIS 35 HD1 HIS 35 7.828 4.161 -2.894
256 HD2 HIS 35 HD2 HIS 35 3.683 3.910 -2.756
257 HE1 HIS 35 HE1 HIS 35 7.322 1.864 -2.003
258 H THR 36 H THR 36 4.753 8.951 -2.679
259 HA THR 36 HA THR 36 5.619 10.326 -4.913
260 HB THR 36 HB THR 36 4.526 12.308 -4.002
261 HG1 THR 36 HG1 THR 36 3.971 10.962 -1.593
262 HG21 THR 36 3HG2 THR 36 3.019 10.713 -4.914
263 HG22 THR 36 1HG2 THR 36 2.309 11.256 -3.394
264 HG23 THR 36 2HG2 THR 36 3.122 9.693 -3.478
265 H GLY 37 H GLY 37 7.068 11.982 -5.305
266 HA2 GLY 37 1HA GLY 37 8.964 12.586 -3.123
267 HA3 GLY 37 2HA GLY 37 9.524 12.187 -4.740
268 H GLU 38 H GLU 38 10.623 14.221 -4.769
269 HA GLU 38 HA GLU 38 9.069 16.652 -4.661
270 HB2 GLU 38 1HB GLU 38 11.931 16.318 -5.564
271 HB3 GLU 38 2HB GLU 38 11.148 17.801 -5.037
272 HG2 GLU 38 1HG GLU 38 11.236 15.521 -3.141
273 HG3 GLU 38 2HG GLU 38 12.726 16.411 -3.447
274 H LYS 39 H LYS 39 8.860 14.414 -6.813
275 HA LYS 39 HA LYS 39 9.124 16.154 -9.172
276 HB2 LYS 39 1HB LYS 39 9.070 14.092 -10.504
277 HB3 LYS 39 2HB LYS 39 10.379 14.065 -9.329
278 HG2 LYS 39 1HG LYS 39 8.660 12.794 -7.847
279 HG3 LYS 39 2HG LYS 39 7.852 12.482 -9.385
280 HD2 LYS 39 1HD LYS 39 9.233 10.653 -9.256
281 HD3 LYS 39 2HD LYS 39 10.268 11.775 -10.142
282 HE2 LYS 39 1HE LYS 39 10.381 11.743 -7.163
283 HE3 LYS 39 2HE LYS 39 11.175 10.450 -8.061
284 HZ1 LYS 39 3HZ LYS 39 11.900 13.242 -7.811
285 HZ2 LYS 39 1HZ LYS 39 12.039 12.610 -9.374
286 HZ3 LYS 39 2HZ LYS 39 12.876 11.889 -8.094
287 HA PRO 40 HA PRO 40 4.753 16.436 -9.556
288 HB2 PRO 40 1HB PRO 40 4.544 16.802 -12.238
289 HB3 PRO 40 2HB PRO 40 5.138 18.054 -11.141
290 HG2 PRO 40 1HG PRO 40 6.684 16.170 -12.879
291 HG3 PRO 40 2HG PRO 40 6.945 17.901 -12.598
292 HD2 PRO 40 1HD PRO 40 8.406 15.988 -11.359
293 HD3 PRO 40 2HD PRO 40 8.021 17.542 -10.592
294 H SER 41 H SER 41 3.679 14.580 -9.151
295 HA SER 41 HA SER 41 4.034 12.128 -10.429
296 HB2 SER 41 1HB SER 41 2.790 12.655 -8.236
297 HB3 SER 41 2HB SER 41 1.393 12.988 -9.259
298 HG SER 41 HG SER 41 2.831 10.554 -9.035
299 H GLY 42 H GLY 42 3.916 11.960 -12.593
300 HA2 GLY 42 1HA GLY 42 2.678 11.544 -14.541
301 HA3 GLY 42 2HA GLY 42 1.319 12.406 -13.834
302 HA PRO 43 HA PRO 43 3.511 15.042 -17.054
303 HB2 PRO 43 1HB PRO 43 1.388 15.302 -18.726
304 HB3 PRO 43 2HB PRO 43 2.557 13.982 -18.854
305 HG2 PRO 43 1HG PRO 43 -0.157 13.994 -17.589
306 HG3 PRO 43 2HG PRO 43 0.590 12.762 -18.624
307 HD2 PRO 43 1HD PRO 43 0.477 12.527 -15.929
308 HD3 PRO 43 2HD PRO 43 1.817 11.868 -16.889
309 H SER 44 H SER 44 0.827 15.171 -14.986
310 HA SER 44 HA SER 44 -0.091 17.800 -15.618
311 HB2 SER 44 1HB SER 44 -0.451 16.216 -13.062
312 HB3 SER 44 2HB SER 44 -1.381 17.633 -13.547
313 HG SER 44 HG SER 44 -2.431 15.618 -14.011
314 H SER 45 H SER 45 0.753 19.694 -15.059
315 HA SER 45 HA SER 45 2.590 19.811 -12.766
316 HB2 SER 45 1HB SER 45 3.090 20.622 -15.590
317 HB3 SER 45 2HB SER 45 3.750 21.648 -14.316
318 HG SER 45 HG SER 45 4.967 19.660 -15.198
319 H GLY 46 H GLY 46 1.351 20.926 -11.360
320 HA2 GLY 46 1HA GLY 46 -0.250 23.178 -12.256
321 HA3 GLY 46 2HA GLY 46 -0.183 22.528 -10.625
Start of MODEL 4
1 H1 GLY 1 H GLY 1 -21.068 -23.780 -5.372
2 HA2 GLY 1 1HA GLY 1 -21.421 -21.606 -6.516
3 HA3 GLY 1 2HA GLY 1 -20.804 -20.853 -5.053
4 H SER 2 H SER 2 -19.739 -20.353 -7.587
5 HA SER 2 HA SER 2 -16.984 -21.038 -7.105
6 HB2 SER 2 1HB SER 2 -18.382 -22.047 -9.592
7 HB3 SER 2 2HB SER 2 -16.632 -22.009 -9.382
8 HG SER 2 HG SER 2 -17.545 -24.048 -8.842
9 H SER 3 H SER 3 -16.207 -19.027 -7.183
10 HA SER 3 HA SER 3 -16.584 -17.502 -9.655
11 HB2 SER 3 1HB SER 3 -17.332 -16.636 -6.899
12 HB3 SER 3 2HB SER 3 -16.629 -15.434 -7.981
13 HG SER 3 HG SER 3 -18.325 -15.614 -9.316
14 H GLY 4 H GLY 4 -15.084 -15.444 -9.498
15 HA2 GLY 4 1HA GLY 4 -12.457 -16.271 -9.584
16 HA3 GLY 4 2HA GLY 4 -12.951 -14.602 -9.338
17 H SER 5 H SER 5 -13.821 -14.281 -6.954
18 HA SER 5 HA SER 5 -11.582 -14.597 -5.268
19 HB2 SER 5 1HB SER 5 -13.153 -13.751 -3.475
20 HB3 SER 5 2HB SER 5 -13.029 -12.724 -4.903
21 HG SER 5 HG SER 5 -15.011 -14.679 -4.909
22 H SER 6 H SER 6 -11.431 -15.750 -3.263
23 HA SER 6 HA SER 6 -12.996 -18.248 -3.265
24 HB2 SER 6 1HB SER 6 -10.415 -18.253 -3.719
25 HB3 SER 6 2HB SER 6 -10.297 -18.040 -1.972
26 HG SER 6 HG SER 6 -11.933 -20.061 -3.046
27 H GLY 7 H GLY 7 -14.039 -16.037 -1.988
28 HA2 GLY 7 1HA GLY 7 -15.163 -15.752 0.030
29 HA3 GLY 7 2HA GLY 7 -14.172 -17.023 0.732
30 H SER 8 H SER 8 -13.519 -16.015 2.570
31 HA SER 8 HA SER 8 -12.913 -13.423 3.067
32 HB2 SER 8 1HB SER 8 -11.671 -15.954 4.107
33 HB3 SER 8 2HB SER 8 -11.094 -14.382 4.660
34 HG SER 8 HG SER 8 -13.327 -15.728 5.364
35 H GLY 9 H GLY 9 -11.303 -11.990 2.670
36 HA2 GLY 9 1HA GLY 9 -9.047 -11.414 2.122
37 HA3 GLY 9 2HA GLY 9 -8.892 -12.954 1.291
38 H GLU 10 H GLU 10 -9.652 -9.641 0.994
39 HA GLU 10 HA GLU 10 -9.768 -9.883 -1.880
40 HB2 GLU 10 1HB GLU 10 -12.106 -10.220 -1.379
41 HB3 GLU 10 2HB GLU 10 -12.123 -8.821 -0.316
42 HG2 GLU 10 1HG GLU 10 -13.179 -8.303 -2.427
43 HG3 GLU 10 2HG GLU 10 -11.705 -7.358 -2.224
44 H LYS 11 H LYS 11 -8.163 -8.500 -2.303
45 HA LYS 11 HA LYS 11 -8.447 -5.743 -1.331
46 HB2 LYS 11 1HB LYS 11 -5.744 -7.040 -1.564
47 HB3 LYS 11 2HB LYS 11 -6.179 -5.554 -0.729
48 HG2 LYS 11 1HG LYS 11 -7.402 -8.088 0.215
49 HG3 LYS 11 2HG LYS 11 -5.697 -7.798 0.571
50 HD2 LYS 11 1HD LYS 11 -6.639 -5.432 1.306
51 HD3 LYS 11 2HD LYS 11 -8.118 -6.367 1.537
52 HE2 LYS 11 1HE LYS 11 -6.959 -6.365 3.613
53 HE3 LYS 11 2HE LYS 11 -6.768 -7.973 2.915
54 HZ1 LYS 11 3HZ LYS 11 -4.566 -7.360 2.163
55 HZ2 LYS 11 1HZ LYS 11 -4.692 -7.126 3.834
56 HZ3 LYS 11 2HZ LYS 11 -4.749 -5.798 2.787
57 HA PRO 12 HA PRO 12 -7.973 -5.843 -5.919
58 HB2 PRO 12 1HB PRO 12 -9.785 -3.870 -6.364
59 HB3 PRO 12 2HB PRO 12 -10.239 -5.569 -6.184
60 HG2 PRO 12 1HG PRO 12 -10.340 -3.358 -4.168
61 HG3 PRO 12 2HG PRO 12 -11.537 -4.622 -4.503
62 HD2 PRO 12 1HD PRO 12 -9.814 -4.763 -2.420
63 HD3 PRO 12 2HD PRO 12 -10.395 -6.205 -3.278
64 H PHE 13 H PHE 13 -7.574 -3.515 -3.432
65 HA PHE 13 HA PHE 13 -6.436 -1.512 -5.216
66 HB2 PHE 13 1HB PHE 13 -6.504 -1.381 -2.206
67 HB3 PHE 13 2HB PHE 13 -6.401 -0.049 -3.353
68 HD1 PHE 13 HD1 PHE 13 -8.625 -1.530 -5.128
69 HD2 PHE 13 HD2 PHE 13 -8.354 -0.169 -1.105
70 HE1 PHE 13 HE1 PHE 13 -11.072 -1.276 -5.053
71 HE2 PHE 13 HE2 PHE 13 -10.799 0.086 -1.022
72 HZ PHE 13 HZ PHE 13 -12.162 -0.468 -2.997
73 H LYS 14 H LYS 14 -4.478 -2.102 -5.949
74 HA LYS 14 HA LYS 14 -2.451 -2.848 -3.944
75 HB2 LYS 14 1HB LYS 14 -3.090 -4.029 -6.591
76 HB3 LYS 14 2HB LYS 14 -1.386 -3.882 -6.184
77 HG2 LYS 14 1HG LYS 14 -2.176 -4.998 -3.933
78 HG3 LYS 14 2HG LYS 14 -3.494 -5.574 -4.955
79 HD2 LYS 14 1HD LYS 14 -1.956 -6.644 -6.446
80 HD3 LYS 14 2HD LYS 14 -0.575 -5.907 -5.632
81 HE2 LYS 14 1HE LYS 14 -0.637 -8.102 -4.818
82 HE3 LYS 14 2HE LYS 14 -1.375 -7.135 -3.541
83 HZ1 LYS 14 3HZ LYS 14 -3.383 -8.072 -3.869
84 HZ2 LYS 14 1HZ LYS 14 -2.470 -9.346 -4.505
85 HZ3 LYS 14 2HZ LYS 14 -3.185 -8.218 -5.543
86 H CYS 15 H CYS 15 -0.877 -1.410 -3.740
87 HA CYS 15 HA CYS 15 -0.652 0.952 -5.139
88 HB2 CYS 15 1HB CYS 15 0.460 0.371 -2.954
89 HB3 CYS 15 2HB CYS 15 1.676 -0.504 -3.878
90 H LYS 16 H LYS 16 0.137 1.551 -7.054
91 HA LYS 16 HA LYS 16 1.188 -0.476 -8.832
92 HB2 LYS 16 1HB LYS 16 -0.500 1.410 -9.404
93 HB3 LYS 16 2HB LYS 16 0.923 2.438 -9.514
94 HG2 LYS 16 1HG LYS 16 1.856 0.893 -11.206
95 HG3 LYS 16 2HG LYS 16 0.351 -0.028 -11.144
96 HD2 LYS 16 1HD LYS 16 0.242 2.910 -11.655
97 HD3 LYS 16 2HD LYS 16 0.713 1.826 -12.965
98 HE2 LYS 16 1HE LYS 16 -1.773 1.391 -11.333
99 HE3 LYS 16 2HE LYS 16 -1.759 2.414 -12.769
100 HZ1 LYS 16 3HZ LYS 16 -1.787 0.642 -14.086
101 HZ2 LYS 16 1HZ LYS 16 -2.138 -0.288 -12.717
102 HZ3 LYS 16 2HZ LYS 16 -0.538 -0.125 -13.241
103 H GLU 17 H GLU 17 2.783 0.508 -6.516
104 HA GLU 17 HA GLU 17 5.167 1.326 -8.037
105 HB2 GLU 17 1HB GLU 17 4.151 2.372 -5.407
106 HB3 GLU 17 2HB GLU 17 5.854 2.476 -5.829
107 HG2 GLU 17 1HG GLU 17 5.262 3.746 -7.845
108 HG3 GLU 17 2HG GLU 17 3.565 3.678 -7.369
109 H CYS 18 H CYS 18 3.957 -0.222 -5.085
110 HA CYS 18 HA CYS 18 6.398 -1.874 -5.050
111 HB2 CYS 18 1HB CYS 18 6.003 -2.142 -2.611
112 HB3 CYS 18 2HB CYS 18 6.310 -0.472 -3.077
113 H GLY 19 H GLY 19 2.910 -1.851 -4.394
114 HA2 GLY 19 1HA GLY 19 1.635 -3.687 -5.452
115 HA3 GLY 19 2HA GLY 19 2.909 -4.763 -4.899
116 H LYS 20 H LYS 20 2.025 -2.262 -2.736
117 HA LYS 20 HA LYS 20 1.183 -4.113 -0.751
118 HB2 LYS 20 1HB LYS 20 2.258 -1.719 -0.545
119 HB3 LYS 20 2HB LYS 20 0.581 -1.189 -0.549
120 HG2 LYS 20 1HG LYS 20 0.989 -1.402 1.696
121 HG3 LYS 20 2HG LYS 20 0.300 -2.983 1.319
122 HD2 LYS 20 1HD LYS 20 2.488 -3.974 1.225
123 HD3 LYS 20 2HD LYS 20 3.258 -2.395 1.396
124 HE2 LYS 20 1HE LYS 20 1.914 -2.269 3.613
125 HE3 LYS 20 2HE LYS 20 1.785 -4.018 3.435
126 HZ1 LYS 20 3HZ LYS 20 3.900 -4.295 4.028
127 HZ2 LYS 20 1HZ LYS 20 3.849 -2.701 4.594
128 HZ3 LYS 20 2HZ LYS 20 4.454 -3.032 3.049
129 H ALA 21 H ALA 21 -0.800 -4.773 -0.159
130 HA ALA 21 HA ALA 21 -3.052 -3.922 -1.811
131 HB1 ALA 21 3HB ALA 21 -2.622 -6.257 0.030
132 HB2 ALA 21 1HB ALA 21 -4.204 -5.862 -0.642
133 HB3 ALA 21 2HB ALA 21 -2.864 -6.264 -1.717
134 H PHE 22 H PHE 22 -4.980 -3.124 -0.979
135 HA PHE 22 HA PHE 22 -4.983 -2.388 1.866
136 HB2 PHE 22 1HB PHE 22 -5.894 -0.533 -0.339
137 HB3 PHE 22 2HB PHE 22 -5.743 -0.163 1.376
138 HD1 PHE 22 HD1 PHE 22 -3.841 -0.919 -1.695
139 HD2 PHE 22 HD2 PHE 22 -3.693 0.543 2.299
140 HE1 PHE 22 HE1 PHE 22 -1.545 -0.124 -2.076
141 HE2 PHE 22 HE2 PHE 22 -1.396 1.343 1.924
142 HZ PHE 22 HZ PHE 22 -0.319 1.010 -0.265
143 H ARG 23 H ARG 23 -7.189 -1.681 2.603
144 HA ARG 23 HA ARG 23 -9.192 -3.459 1.404
145 HB2 ARG 23 1HB ARG 23 -8.706 -2.417 4.155
146 HB3 ARG 23 2HB ARG 23 -10.363 -2.779 3.690
147 HG2 ARG 23 1HG ARG 23 -8.131 -4.763 3.382
148 HG3 ARG 23 2HG ARG 23 -9.084 -4.616 4.861
149 HD2 ARG 23 1HD ARG 23 -10.430 -4.949 2.208
150 HD3 ARG 23 2HD ARG 23 -9.781 -6.349 3.062
151 HE ARG 23 HE ARG 23 -11.288 -5.111 4.941
152 HH11 ARG 23 1HH1 ARG 23 -11.908 -6.189 1.689
153 HH12 ARG 23 2HH1 ARG 23 -13.587 -6.508 1.976
154 HH21 ARG 23 1HH2 ARG 23 -13.497 -5.527 5.331
155 HH22 ARG 23 2HH2 ARG 23 -14.490 -6.130 4.047
156 H GLN 24 H GLN 24 -8.518 -0.127 2.156
157 HA GLN 24 HA GLN 24 -11.075 0.624 0.902
158 HB2 GLN 24 1HB GLN 24 -9.650 2.085 3.132
159 HB3 GLN 24 2HB GLN 24 -11.124 2.621 2.336
160 HG2 GLN 24 1HG GLN 24 -12.419 1.006 3.344
161 HG3 GLN 24 2HG GLN 24 -11.044 -0.057 3.644
162 HE21 GLN 24 1HE2 GLN 24 -11.895 3.300 4.437
163 HE22 GLN 24 2HE2 GLN 24 -11.535 3.172 6.121
164 H ASN 25 H ASN 25 -11.060 2.439 -0.453
165 HA ASN 25 HA ASN 25 -8.756 2.792 -2.009
166 HB2 ASN 25 1HB ASN 25 -10.044 4.830 -2.897
167 HB3 ASN 25 2HB ASN 25 -10.805 3.252 -3.075
168 HD21 ASN 25 1HD2 ASN 25 -10.876 6.303 -1.429
169 HD22 ASN 25 2HD2 ASN 25 -12.449 6.125 -0.737
170 H ILE 26 H ILE 26 -9.981 4.537 0.764
171 HA ILE 26 HA ILE 26 -8.327 6.824 0.519
172 HB ILE 26 HB ILE 26 -10.295 6.882 1.935
173 HG12 ILE 26 1HG1 ILE 26 -9.273 7.840 3.993
174 HG13 ILE 26 2HG1 ILE 26 -7.721 7.173 3.499
175 HG21 ILE 26 1HG2 ILE 26 -8.884 4.699 3.433
176 HG22 ILE 26 2HG2 ILE 26 -10.137 5.683 4.188
177 HG23 ILE 26 3HG2 ILE 26 -10.517 4.707 2.769
178 HD11 ILE 26 3HD1 ILE 26 -8.488 9.680 2.983
179 HD12 ILE 26 1HD1 ILE 26 -7.379 8.773 1.955
180 HD13 ILE 26 2HD1 ILE 26 -9.087 8.883 1.528
181 H HIS 27 H HIS 27 -7.845 3.642 1.867
182 HA HIS 27 HA HIS 27 -5.533 4.239 3.400
183 HB2 HIS 27 1HB HIS 27 -6.766 1.720 2.340
184 HB3 HIS 27 2HB HIS 27 -5.158 1.673 3.057
185 HD1 HIS 27 HD1 HIS 27 -6.282 0.131 4.909
186 HD2 HIS 27 HD2 HIS 27 -7.565 4.082 4.837
187 HE1 HIS 27 HE1 HIS 27 -7.436 0.503 7.112
188 H LEU 28 H LEU 28 -5.942 2.785 0.175
189 HA LEU 28 HA LEU 28 -3.249 2.467 -0.446
190 HB2 LEU 28 1HB LEU 28 -4.663 1.410 -1.918
191 HB3 LEU 28 2HB LEU 28 -5.739 2.799 -2.046
192 HG LEU 28 HG LEU 28 -3.979 3.938 -3.409
193 HD11 LEU 28 1HD1 LEU 28 -2.284 2.401 -4.449
194 HD12 LEU 28 2HD1 LEU 28 -2.683 1.231 -3.191
195 HD13 LEU 28 3HD1 LEU 28 -2.005 2.799 -2.753
196 HD21 LEU 28 3HD2 LEU 28 -5.044 1.313 -4.447
197 HD22 LEU 28 1HD2 LEU 28 -4.428 2.633 -5.442
198 HD23 LEU 28 2HD2 LEU 28 -5.881 2.866 -4.469
199 H ALA 29 H ALA 29 -5.392 5.170 -1.352
200 HA ALA 29 HA ALA 29 -3.483 6.771 -2.582
201 HB1 ALA 29 3HB ALA 29 -5.285 8.490 -1.251
202 HB2 ALA 29 1HB ALA 29 -5.312 7.972 -2.937
203 HB3 ALA 29 2HB ALA 29 -6.185 7.046 -1.715
204 H SER 30 H SER 30 -4.305 6.442 0.827
205 HA SER 30 HA SER 30 -2.732 8.630 1.730
206 HB2 SER 30 1HB SER 30 -4.627 7.492 2.992
207 HB3 SER 30 2HB SER 30 -3.483 6.201 3.362
208 HG SER 30 HG SER 30 -3.548 7.772 5.018
209 H HIS 31 H HIS 31 -2.005 5.399 0.801
210 HA HIS 31 HA HIS 31 0.490 5.241 2.236
211 HB2 HIS 31 1HB HIS 31 -0.470 3.138 1.887
212 HB3 HIS 31 2HB HIS 31 -0.905 3.506 0.220
213 HD1 HIS 31 HD1 HIS 31 2.192 2.819 2.303
214 HD2 HIS 31 HD2 HIS 31 0.870 2.596 -1.630
215 HE1 HIS 31 HE1 HIS 31 4.043 1.682 1.035
216 H LEU 32 H LEU 32 -0.487 5.685 -1.151
217 HA LEU 32 HA LEU 32 1.926 5.759 -2.418
218 HB2 LEU 32 1HB LEU 32 -0.453 7.558 -2.845
219 HB3 LEU 32 2HB LEU 32 0.908 7.443 -3.959
220 HG LEU 32 HG LEU 32 -0.836 5.096 -3.234
221 HD11 LEU 32 1HD1 LEU 32 -1.166 7.208 -5.321
222 HD12 LEU 32 2HD1 LEU 32 -2.377 6.455 -4.284
223 HD13 LEU 32 3HD1 LEU 32 -1.697 5.556 -5.639
224 HD21 LEU 32 3HD2 LEU 32 0.119 4.129 -5.262
225 HD22 LEU 32 1HD2 LEU 32 1.380 4.549 -4.102
226 HD23 LEU 32 2HD2 LEU 32 1.093 5.581 -5.503
227 H ARG 33 H ARG 33 0.774 7.951 -0.042
228 HA ARG 33 HA ARG 33 2.115 10.298 -0.627
229 HB2 ARG 33 1HB ARG 33 1.805 9.119 2.138
230 HB3 ARG 33 2HB ARG 33 1.987 10.819 1.726
231 HG2 ARG 33 1HG ARG 33 -0.308 9.359 0.547
232 HG3 ARG 33 2HG ARG 33 -0.366 9.740 2.269
233 HD2 ARG 33 1HD ARG 33 -1.364 11.595 1.306
234 HD3 ARG 33 2HD ARG 33 0.305 12.122 1.519
235 HE ARG 33 HE ARG 33 0.297 11.117 -0.989
236 HH11 ARG 33 1HH1 ARG 33 -1.714 13.434 0.658
237 HH12 ARG 33 2HH1 ARG 33 -2.072 14.337 -0.776
238 HH21 ARG 33 1HH2 ARG 33 -0.167 12.299 -2.884
239 HH22 ARG 33 2HH2 ARG 33 -1.192 13.691 -2.790
240 H ILE 34 H ILE 34 3.304 7.600 1.380
241 HA ILE 34 HA ILE 34 5.853 8.589 1.872
242 HB ILE 34 HB ILE 34 6.530 6.336 2.386
243 HG12 ILE 34 1HG1 ILE 34 3.963 5.184 1.384
244 HG13 ILE 34 2HG1 ILE 34 5.250 5.497 0.224
245 HG21 ILE 34 1HG2 ILE 34 5.330 6.563 4.237
246 HG22 ILE 34 2HG2 ILE 34 4.141 7.541 3.379
247 HG23 ILE 34 3HG2 ILE 34 3.970 5.787 3.426
248 HD11 ILE 34 3HD1 ILE 34 6.126 3.545 0.763
249 HD12 ILE 34 1HD1 ILE 34 6.458 4.177 2.375
250 HD13 ILE 34 2HD1 ILE 34 4.947 3.325 2.056
251 H HIS 35 H HIS 35 4.527 7.194 -1.006
252 HA HIS 35 HA HIS 35 7.071 6.611 -2.223
253 HB2 HIS 35 1HB HIS 35 4.216 6.542 -3.139
254 HB3 HIS 35 2HB HIS 35 5.518 6.449 -4.320
255 HD1 HIS 35 HD1 HIS 35 7.200 4.377 -3.998
256 HD2 HIS 35 HD2 HIS 35 3.627 4.189 -1.886
257 HE1 HIS 35 HE1 HIS 35 6.948 1.969 -3.315
258 H THR 36 H THR 36 4.786 9.258 -2.202
259 HA THR 36 HA THR 36 6.382 10.697 -4.200
260 HB THR 36 HB THR 36 3.906 10.573 -4.525
261 HG1 THR 36 HG1 THR 36 5.405 12.448 -5.113
262 HG21 THR 36 3HG2 THR 36 2.835 12.492 -2.947
263 HG22 THR 36 1HG2 THR 36 3.977 11.755 -1.824
264 HG23 THR 36 2HG2 THR 36 2.738 10.767 -2.598
265 H GLY 37 H GLY 37 7.546 10.355 -1.676
266 HA2 GLY 37 1HA GLY 37 7.400 13.103 -0.595
267 HA3 GLY 37 2HA GLY 37 7.690 11.693 0.413
268 H GLU 38 H GLU 38 9.132 14.228 -1.176
269 HA GLU 38 HA GLU 38 11.534 13.132 -2.117
270 HB2 GLU 38 1HB GLU 38 10.674 15.470 -2.519
271 HB3 GLU 38 2HB GLU 38 11.207 15.872 -0.893
272 HG2 GLU 38 1HG GLU 38 12.870 16.597 -2.440
273 HG3 GLU 38 2HG GLU 38 13.508 15.225 -1.536
274 H LYS 39 H LYS 39 13.662 13.224 -1.175
275 HA LYS 39 HA LYS 39 13.608 12.881 1.751
276 HB2 LYS 39 1HB LYS 39 15.323 11.255 1.569
277 HB3 LYS 39 2HB LYS 39 14.145 10.854 0.327
278 HG2 LYS 39 1HG LYS 39 16.404 12.605 -0.452
279 HG3 LYS 39 2HG LYS 39 16.753 10.902 -0.144
280 HD2 LYS 39 1HD LYS 39 14.903 10.324 -1.727
281 HD3 LYS 39 2HD LYS 39 14.785 12.040 -2.126
282 HE2 LYS 39 1HE LYS 39 17.385 10.558 -2.337
283 HE3 LYS 39 2HE LYS 39 16.204 10.526 -3.645
284 HZ1 LYS 39 3HZ LYS 39 16.413 12.809 -3.984
285 HZ2 LYS 39 1HZ LYS 39 18.006 12.292 -3.738
286 HZ3 LYS 39 2HZ LYS 39 17.167 13.072 -2.493
287 HA PRO 40 HA PRO 40 16.432 16.216 2.198
288 HB2 PRO 40 1HB PRO 40 17.761 15.439 4.434
289 HB3 PRO 40 2HB PRO 40 16.094 16.025 4.463
290 HG2 PRO 40 1HG PRO 40 17.113 13.211 4.510
291 HG3 PRO 40 2HG PRO 40 15.809 13.945 5.462
292 HD2 PRO 40 1HD PRO 40 15.335 12.417 3.277
293 HD3 PRO 40 2HD PRO 40 14.285 13.771 3.741
294 H SER 41 H SER 41 17.928 13.019 2.711
295 HA SER 41 HA SER 41 20.003 13.650 0.796
296 HB2 SER 41 1HB SER 41 20.542 13.402 3.741
297 HB3 SER 41 2HB SER 41 21.766 12.914 2.569
298 HG SER 41 HG SER 41 20.510 15.456 2.558
299 H GLY 42 H GLY 42 21.458 11.766 0.426
300 HA2 GLY 42 1HA GLY 42 20.098 9.229 1.095
301 HA3 GLY 42 2HA GLY 42 20.689 9.566 -0.525
302 HA PRO 43 HA PRO 43 23.937 7.425 2.187
303 HB2 PRO 43 1HB PRO 43 23.911 5.012 0.943
304 HB3 PRO 43 2HB PRO 43 22.878 5.391 2.327
305 HG2 PRO 43 1HG PRO 43 22.209 5.390 -0.591
306 HG3 PRO 43 2HG PRO 43 21.263 4.770 0.774
307 HD2 PRO 43 1HD PRO 43 20.755 7.165 -0.382
308 HD3 PRO 43 2HD PRO 43 20.481 6.862 1.345
309 H SER 44 H SER 44 23.239 7.353 -1.274
310 HA SER 44 HA SER 44 26.132 7.574 -1.798
311 HB2 SER 44 1HB SER 44 23.958 6.139 -3.289
312 HB3 SER 44 2HB SER 44 25.387 6.709 -4.150
313 HG SER 44 HG SER 44 26.436 5.554 -2.167
314 H SER 45 H SER 45 26.728 9.512 -2.474
315 HA SER 45 HA SER 45 24.741 11.350 -3.551
316 HB2 SER 45 1HB SER 45 27.597 11.713 -2.636
317 HB3 SER 45 2HB SER 45 26.667 13.003 -3.398
318 HG SER 45 HG SER 45 26.569 12.083 -0.851
319 H GLY 46 H GLY 46 28.051 10.340 -4.441
320 HA2 GLY 46 1HA GLY 46 27.226 10.389 -7.258
321 HA3 GLY 46 2HA GLY 46 28.608 11.358 -6.772
Start of MODEL 5
1 H1 GLY 1 H GLY 1 6.094 -25.825 -13.950
2 HA2 GLY 1 1HA GLY 1 7.244 -23.860 -12.077
3 HA3 GLY 1 2HA GLY 1 5.536 -24.003 -12.468
4 H SER 2 H SER 2 8.209 -25.446 -10.709
5 HA SER 2 HA SER 2 6.609 -27.471 -9.464
6 HB2 SER 2 1HB SER 2 9.006 -27.817 -9.762
7 HB3 SER 2 2HB SER 2 9.357 -26.408 -8.761
8 HG SER 2 HG SER 2 8.602 -27.482 -6.986
9 H SER 3 H SER 3 8.269 -24.604 -8.132
10 HA SER 3 HA SER 3 6.918 -24.693 -5.652
11 HB2 SER 3 1HB SER 3 7.849 -22.447 -5.287
12 HB3 SER 3 2HB SER 3 9.069 -23.535 -5.950
13 HG SER 3 HG SER 3 8.537 -21.239 -6.890
14 H GLY 4 H GLY 4 6.433 -22.658 -8.534
15 HA2 GLY 4 1HA GLY 4 4.510 -21.673 -9.338
16 HA3 GLY 4 2HA GLY 4 3.605 -22.578 -8.134
17 H SER 5 H SER 5 2.849 -20.031 -8.734
18 HA SER 5 HA SER 5 3.817 -18.444 -6.449
19 HB2 SER 5 1HB SER 5 4.110 -17.495 -8.790
20 HB3 SER 5 2HB SER 5 2.352 -17.364 -8.860
21 HG SER 5 HG SER 5 2.548 -15.585 -7.783
22 H SER 6 H SER 6 2.039 -16.801 -5.738
23 HA SER 6 HA SER 6 -0.481 -18.299 -5.426
24 HB2 SER 6 1HB SER 6 -0.703 -17.356 -3.204
25 HB3 SER 6 2HB SER 6 0.880 -18.121 -3.340
26 HG SER 6 HG SER 6 1.476 -15.804 -4.029
27 H GLY 7 H GLY 7 -2.265 -16.674 -4.581
28 HA2 GLY 7 1HA GLY 7 -2.249 -13.991 -5.359
29 HA3 GLY 7 2HA GLY 7 -2.822 -14.930 -6.730
30 H SER 8 H SER 8 -3.591 -13.615 -3.655
31 HA SER 8 HA SER 8 -6.390 -14.195 -4.068
32 HB2 SER 8 1HB SER 8 -6.646 -15.164 -1.749
33 HB3 SER 8 2HB SER 8 -5.827 -16.214 -2.905
34 HG SER 8 HG SER 8 -4.538 -14.543 -1.004
35 H GLY 9 H GLY 9 -7.779 -13.033 -2.552
36 HA2 GLY 9 1HA GLY 9 -7.712 -11.456 -0.592
37 HA3 GLY 9 2HA GLY 9 -6.395 -10.667 -1.448
38 H GLU 10 H GLU 10 -9.515 -10.308 -0.697
39 HA GLU 10 HA GLU 10 -10.743 -9.609 -3.142
40 HB2 GLU 10 1HB GLU 10 -11.314 -8.802 -0.292
41 HB3 GLU 10 2HB GLU 10 -12.315 -8.295 -1.645
42 HG2 GLU 10 1HG GLU 10 -13.161 -10.274 -0.389
43 HG3 GLU 10 2HG GLU 10 -12.957 -10.525 -2.122
44 H LYS 11 H LYS 11 -9.313 -7.557 -0.601
45 HA LYS 11 HA LYS 11 -9.602 -5.066 -1.435
46 HB2 LYS 11 1HB LYS 11 -7.136 -4.660 -0.872
47 HB3 LYS 11 2HB LYS 11 -8.144 -5.376 0.379
48 HG2 LYS 11 1HG LYS 11 -6.663 -7.207 -1.426
49 HG3 LYS 11 2HG LYS 11 -5.749 -6.322 -0.202
50 HD2 LYS 11 1HD LYS 11 -7.735 -7.180 1.342
51 HD3 LYS 11 2HD LYS 11 -7.801 -8.447 0.114
52 HE2 LYS 11 1HE LYS 11 -6.331 -9.300 1.708
53 HE3 LYS 11 2HE LYS 11 -5.263 -8.637 0.472
54 HZ1 LYS 11 3HZ LYS 11 -5.959 -6.731 2.501
55 HZ2 LYS 11 1HZ LYS 11 -4.438 -7.156 1.894
56 HZ3 LYS 11 2HZ LYS 11 -5.146 -8.079 3.122
57 HA PRO 12 HA PRO 12 -8.359 -5.573 -5.785
58 HB2 PRO 12 1HB PRO 12 -9.855 -3.487 -6.667
59 HB3 PRO 12 2HB PRO 12 -10.523 -5.101 -6.395
60 HG2 PRO 12 1HG PRO 12 -10.631 -2.684 -4.632
61 HG3 PRO 12 2HG PRO 12 -11.913 -3.849 -5.014
62 HD2 PRO 12 1HD PRO 12 -10.506 -3.936 -2.702
63 HD3 PRO 12 2HD PRO 12 -11.132 -5.396 -3.494
64 H PHE 13 H PHE 13 -7.959 -3.097 -3.472
65 HA PHE 13 HA PHE 13 -6.532 -1.285 -5.213
66 HB2 PHE 13 1HB PHE 13 -6.531 -1.181 -2.204
67 HB3 PHE 13 2HB PHE 13 -6.345 0.146 -3.347
68 HD1 PHE 13 HD1 PHE 13 -8.720 -0.992 -5.102
69 HD2 PHE 13 HD2 PHE 13 -8.255 0.053 -1.002
70 HE1 PHE 13 HE1 PHE 13 -11.131 -0.525 -4.951
71 HE2 PHE 13 HE2 PHE 13 -10.665 0.521 -0.844
72 HZ PHE 13 HZ PHE 13 -12.107 0.232 -2.820
73 H LYS 14 H LYS 14 -4.564 -1.796 -5.896
74 HA LYS 14 HA LYS 14 -2.642 -2.866 -3.946
75 HB2 LYS 14 1HB LYS 14 -3.560 -4.604 -5.595
76 HB3 LYS 14 2HB LYS 14 -2.660 -3.734 -6.831
77 HG2 LYS 14 1HG LYS 14 -0.687 -4.060 -5.091
78 HG3 LYS 14 2HG LYS 14 -1.683 -5.436 -4.610
79 HD2 LYS 14 1HD LYS 14 -1.711 -6.184 -6.972
80 HD3 LYS 14 2HD LYS 14 -0.618 -4.857 -7.374
81 HE2 LYS 14 1HE LYS 14 1.145 -5.787 -6.158
82 HE3 LYS 14 2HE LYS 14 0.075 -6.841 -5.236
83 HZ1 LYS 14 3HZ LYS 14 -0.105 -7.375 -8.023
84 HZ2 LYS 14 1HZ LYS 14 0.282 -8.425 -6.754
85 HZ3 LYS 14 2HZ LYS 14 1.496 -7.506 -7.490
86 H CYS 15 H CYS 15 -0.946 -1.572 -3.755
87 HA CYS 15 HA CYS 15 -0.521 0.704 -5.324
88 HB2 CYS 15 1HB CYS 15 0.342 0.134 -2.949
89 HB3 CYS 15 2HB CYS 15 1.689 -0.633 -3.784
90 H LYS 16 H LYS 16 0.268 0.920 -7.301
91 HA LYS 16 HA LYS 16 1.610 -1.311 -8.584
92 HB2 LYS 16 1HB LYS 16 0.574 1.341 -9.569
93 HB3 LYS 16 2HB LYS 16 1.540 0.283 -10.589
94 HG2 LYS 16 1HG LYS 16 -0.190 -1.518 -10.056
95 HG3 LYS 16 2HG LYS 16 -1.193 -0.195 -9.456
96 HD2 LYS 16 1HD LYS 16 -1.877 -0.401 -11.665
97 HD3 LYS 16 2HD LYS 16 -0.693 0.906 -11.744
98 HE2 LYS 16 1HE LYS 16 0.109 -1.947 -12.201
99 HE3 LYS 16 2HE LYS 16 -0.579 -0.976 -13.502
100 HZ1 LYS 16 3HZ LYS 16 2.033 -0.815 -12.257
101 HZ2 LYS 16 1HZ LYS 16 1.292 0.675 -12.565
102 HZ3 LYS 16 2HZ LYS 16 1.555 -0.416 -13.830
103 H GLU 17 H GLU 17 2.852 0.478 -6.452
104 HA GLU 17 HA GLU 17 5.224 1.304 -7.993
105 HB2 GLU 17 1HB GLU 17 4.008 2.406 -5.471
106 HB3 GLU 17 2HB GLU 17 5.687 2.719 -5.890
107 HG2 GLU 17 1HG GLU 17 3.518 3.297 -7.857
108 HG3 GLU 17 2HG GLU 17 3.860 4.426 -6.548
109 H CYS 18 H CYS 18 4.147 -0.140 -4.937
110 HA CYS 18 HA CYS 18 6.808 -1.375 -4.665
111 HB2 CYS 18 1HB CYS 18 6.277 -1.607 -2.259
112 HB3 CYS 18 2HB CYS 18 6.273 0.073 -2.787
113 H GLY 19 H GLY 19 3.326 -1.956 -4.384
114 HA2 GLY 19 1HA GLY 19 2.544 -4.052 -5.445
115 HA3 GLY 19 2HA GLY 19 3.894 -4.846 -4.647
116 H LYS 20 H LYS 20 2.290 -2.416 -2.840
117 HA LYS 20 HA LYS 20 1.369 -4.390 -0.942
118 HB2 LYS 20 1HB LYS 20 2.412 -1.985 -0.547
119 HB3 LYS 20 2HB LYS 20 0.729 -1.489 -0.658
120 HG2 LYS 20 1HG LYS 20 0.130 -2.901 1.186
121 HG3 LYS 20 2HG LYS 20 1.754 -3.591 1.237
122 HD2 LYS 20 1HD LYS 20 2.591 -1.236 1.662
123 HD3 LYS 20 2HD LYS 20 0.903 -0.785 1.918
124 HE2 LYS 20 1HE LYS 20 2.052 -3.109 3.400
125 HE3 LYS 20 2HE LYS 20 2.413 -1.470 3.940
126 HZ1 LYS 20 3HZ LYS 20 0.180 -1.046 4.379
127 HZ2 LYS 20 1HZ LYS 20 0.400 -2.626 4.942
128 HZ3 LYS 20 2HZ LYS 20 -0.364 -2.356 3.458
129 H ALA 21 H ALA 21 -0.855 -4.065 0.052
130 HA ALA 21 HA ALA 21 -2.836 -3.501 -2.056
131 HB1 ALA 21 3HB ALA 21 -2.343 -5.960 -0.640
132 HB2 ALA 21 1HB ALA 21 -3.989 -5.391 -0.360
133 HB3 ALA 21 2HB ALA 21 -3.411 -5.646 -2.007
134 H PHE 22 H PHE 22 -5.051 -3.105 -1.170
135 HA PHE 22 HA PHE 22 -5.184 -2.152 1.563
136 HB2 PHE 22 1HB PHE 22 -5.917 -0.185 -0.584
137 HB3 PHE 22 2HB PHE 22 -5.589 0.110 1.120
138 HD1 PHE 22 HD1 PHE 22 -4.012 -0.777 -2.105
139 HD2 PHE 22 HD2 PHE 22 -3.430 0.652 1.862
140 HE1 PHE 22 HE1 PHE 22 -1.689 -0.187 -2.662
141 HE2 PHE 22 HE2 PHE 22 -1.107 1.245 1.312
142 HZ PHE 22 HZ PHE 22 -0.233 0.827 -0.953
143 H ARG 23 H ARG 23 -7.202 -2.290 2.387
144 HA ARG 23 HA ARG 23 -9.242 -3.476 0.713
145 HB2 ARG 23 1HB ARG 23 -8.986 -2.943 3.661
146 HB3 ARG 23 2HB ARG 23 -10.524 -3.431 2.960
147 HG2 ARG 23 1HG ARG 23 -8.108 -5.056 2.356
148 HG3 ARG 23 2HG ARG 23 -8.851 -5.193 3.951
149 HD2 ARG 23 1HD ARG 23 -10.364 -5.492 1.363
150 HD3 ARG 23 2HD ARG 23 -9.667 -6.847 2.251
151 HE ARG 23 HE ARG 23 -11.338 -5.275 3.924
152 HH11 ARG 23 1HH1 ARG 23 -11.414 -7.664 1.392
153 HH12 ARG 23 2HH1 ARG 23 -12.952 -8.307 1.866
154 HH21 ARG 23 1HH2 ARG 23 -13.363 -6.113 4.558
155 HH22 ARG 23 2HH2 ARG 23 -14.060 -7.423 3.666
156 H GLN 24 H GLN 24 -8.505 -0.383 2.082
157 HA GLN 24 HA GLN 24 -11.092 0.643 1.114
158 HB2 GLN 24 1HB GLN 24 -9.471 1.341 3.529
159 HB3 GLN 24 2HB GLN 24 -10.474 2.578 2.783
160 HG2 GLN 24 1HG GLN 24 -11.953 1.764 4.293
161 HG3 GLN 24 2HG GLN 24 -12.307 0.689 2.942
162 HE21 GLN 24 1HE2 GLN 24 -13.072 -0.213 5.279
163 HE22 GLN 24 2HE2 GLN 24 -12.021 -1.444 5.882
164 H ASN 25 H ASN 25 -11.104 2.625 0.013
165 HA ASN 25 HA ASN 25 -8.904 3.081 -1.686
166 HB2 ASN 25 1HB ASN 25 -11.212 4.952 -1.110
167 HB3 ASN 25 2HB ASN 25 -10.166 4.986 -2.526
168 HD21 ASN 25 1HD2 ASN 25 -10.564 3.638 -4.200
169 HD22 ASN 25 2HD2 ASN 25 -11.908 2.554 -4.270
170 H ILE 26 H ILE 26 -9.988 4.657 1.269
171 HA ILE 26 HA ILE 26 -8.272 6.884 1.175
172 HB ILE 26 HB ILE 26 -10.169 6.778 2.711
173 HG12 ILE 26 1HG1 ILE 26 -8.911 7.492 4.819
174 HG13 ILE 26 2HG1 ILE 26 -7.434 7.108 3.942
175 HG21 ILE 26 1HG2 ILE 26 -9.731 5.427 4.876
176 HG22 ILE 26 2HG2 ILE 26 -10.332 4.589 3.447
177 HG23 ILE 26 3HG2 ILE 26 -8.623 4.495 3.870
178 HD11 ILE 26 3HD1 ILE 26 -8.312 9.538 3.982
179 HD12 ILE 26 1HD1 ILE 26 -7.697 8.861 2.474
180 HD13 ILE 26 2HD1 ILE 26 -9.436 8.968 2.748
181 H HIS 27 H HIS 27 -7.743 3.569 2.063
182 HA HIS 27 HA HIS 27 -5.353 3.954 3.552
183 HB2 HIS 27 1HB HIS 27 -6.755 1.632 2.320
184 HB3 HIS 27 2HB HIS 27 -5.053 1.436 2.731
185 HD1 HIS 27 HD1 HIS 27 -5.582 -0.238 4.614
186 HD2 HIS 27 HD2 HIS 27 -7.345 3.489 5.127
187 HE1 HIS 27 HE1 HIS 27 -6.415 -0.209 6.986
188 H LEU 28 H LEU 28 -5.887 2.787 0.223
189 HA LEU 28 HA LEU 28 -3.222 2.650 -0.550
190 HB2 LEU 28 1HB LEU 28 -4.832 1.658 -1.951
191 HB3 LEU 28 2HB LEU 28 -5.747 3.157 -2.093
192 HG LEU 28 HG LEU 28 -3.852 4.101 -3.419
193 HD11 LEU 28 1HD1 LEU 28 -2.136 2.534 -2.536
194 HD12 LEU 28 2HD1 LEU 28 -2.160 2.650 -4.295
195 HD13 LEU 28 3HD1 LEU 28 -2.876 1.251 -3.495
196 HD21 LEU 28 3HD2 LEU 28 -5.810 3.262 -4.547
197 HD22 LEU 28 1HD2 LEU 28 -5.197 1.610 -4.459
198 HD23 LEU 28 2HD2 LEU 28 -4.372 2.804 -5.461
199 H ALA 29 H ALA 29 -5.512 5.309 -1.203
200 HA ALA 29 HA ALA 29 -3.740 7.089 -2.361
201 HB1 ALA 29 3HB ALA 29 -6.301 7.240 -2.038
202 HB2 ALA 29 1HB ALA 29 -5.899 8.063 -0.531
203 HB3 ALA 29 2HB ALA 29 -5.355 8.728 -2.072
204 H SER 30 H SER 30 -4.377 6.485 1.055
205 HA SER 30 HA SER 30 -2.780 8.645 2.011
206 HB2 SER 30 1HB SER 30 -4.612 7.551 3.323
207 HB3 SER 30 2HB SER 30 -3.580 6.131 3.495
208 HG SER 30 HG SER 30 -2.103 7.389 4.632
209 H HIS 31 H HIS 31 -2.086 5.510 0.828
210 HA HIS 31 HA HIS 31 0.496 5.339 2.154
211 HB2 HIS 31 1HB HIS 31 -0.566 3.239 1.950
212 HB3 HIS 31 2HB HIS 31 -1.006 3.531 0.270
213 HD1 HIS 31 HD1 HIS 31 1.981 2.684 2.412
214 HD2 HIS 31 HD2 HIS 31 0.860 2.732 -1.588
215 HE1 HIS 31 HE1 HIS 31 3.838 1.521 1.180
216 H LEU 32 H LEU 32 -0.684 5.418 -1.211
217 HA LEU 32 HA LEU 32 1.555 5.501 -2.671
218 HB2 LEU 32 1HB LEU 32 -0.781 7.385 -2.937
219 HB3 LEU 32 2HB LEU 32 0.450 7.146 -4.175
220 HG LEU 32 HG LEU 32 -1.301 4.917 -3.160
221 HD11 LEU 32 1HD1 LEU 32 -2.267 5.464 -5.620
222 HD12 LEU 32 2HD1 LEU 32 -1.896 7.091 -5.049
223 HD13 LEU 32 3HD1 LEU 32 -2.983 6.058 -4.121
224 HD21 LEU 32 3HD2 LEU 32 -0.475 3.664 -4.911
225 HD22 LEU 32 1HD2 LEU 32 0.947 4.591 -4.433
226 HD23 LEU 32 2HD2 LEU 32 0.006 5.084 -5.842
227 H ARG 33 H ARG 33 0.472 8.041 -0.520
228 HA ARG 33 HA ARG 33 2.089 10.143 -1.334
229 HB2 ARG 33 1HB ARG 33 1.663 9.639 1.585
230 HB3 ARG 33 2HB ARG 33 1.596 11.154 0.694
231 HG2 ARG 33 1HG ARG 33 -0.480 9.958 -0.441
232 HG3 ARG 33 2HG ARG 33 -0.490 9.092 1.097
233 HD2 ARG 33 1HD ARG 33 -0.221 12.052 1.151
234 HD3 ARG 33 2HD ARG 33 -1.799 11.369 0.763
235 HE ARG 33 HE ARG 33 -1.078 10.030 2.999
236 HH11 ARG 33 1HH1 ARG 33 -1.246 13.410 2.182
237 HH12 ARG 33 2HH1 ARG 33 -1.602 13.917 3.800
238 HH21 ARG 33 1HH2 ARG 33 -1.546 10.685 5.133
239 HH22 ARG 33 2HH2 ARG 33 -1.771 12.366 5.478
240 H ILE 34 H ILE 34 2.814 7.576 1.019
241 HA ILE 34 HA ILE 34 5.290 8.321 1.889
242 HB ILE 34 HB ILE 34 5.763 6.060 2.393
243 HG12 ILE 34 1HG1 ILE 34 4.095 4.312 1.258
244 HG13 ILE 34 2HG1 ILE 34 4.109 5.518 -0.024
245 HG21 ILE 34 1HG2 ILE 34 3.704 7.130 3.431
246 HG22 ILE 34 2HG2 ILE 34 2.761 6.112 2.345
247 HG23 ILE 34 3HG2 ILE 34 3.827 5.374 3.539
248 HD11 ILE 34 3HD1 ILE 34 6.054 4.771 -0.752
249 HD12 ILE 34 1HD1 ILE 34 6.786 5.005 0.835
250 HD13 ILE 34 2HD1 ILE 34 5.975 3.486 0.453
251 H HIS 35 H HIS 35 4.425 7.115 -1.264
252 HA HIS 35 HA HIS 35 7.152 6.660 -2.088
253 HB2 HIS 35 1HB HIS 35 4.507 6.616 -3.532
254 HB3 HIS 35 2HB HIS 35 6.037 6.427 -4.383
255 HD1 HIS 35 HD1 HIS 35 7.532 4.324 -3.517
256 HD2 HIS 35 HD2 HIS 35 3.502 4.309 -2.507
257 HE1 HIS 35 HE1 HIS 35 7.008 1.949 -2.880
258 H THR 36 H THR 36 4.769 9.210 -2.339
259 HA THR 36 HA THR 36 6.749 10.860 -3.773
260 HB THR 36 HB THR 36 4.730 10.453 -5.121
261 HG1 THR 36 HG1 THR 36 5.903 12.661 -4.814
262 HG21 THR 36 3HG2 THR 36 3.229 11.961 -2.983
263 HG22 THR 36 1HG2 THR 36 3.179 10.209 -3.170
264 HG23 THR 36 2HG2 THR 36 2.569 11.251 -4.456
265 H GLY 37 H GLY 37 6.932 10.650 -1.030
266 HA2 GLY 37 1HA GLY 37 5.505 12.390 0.560
267 HA3 GLY 37 2HA GLY 37 7.208 12.024 0.793
268 H GLU 38 H GLU 38 8.775 13.334 -0.391
269 HA GLU 38 HA GLU 38 8.210 16.092 -0.145
270 HB2 GLU 38 1HB GLU 38 10.515 14.548 -1.307
271 HB3 GLU 38 2HB GLU 38 10.459 16.303 -1.389
272 HG2 GLU 38 1HG GLU 38 11.777 15.629 0.498
273 HG3 GLU 38 2HG GLU 38 10.291 16.391 1.063
274 H LYS 39 H LYS 39 8.575 17.691 -1.920
275 HA LYS 39 HA LYS 39 7.938 16.803 -4.602
276 HB2 LYS 39 1HB LYS 39 6.026 18.607 -4.589
277 HB3 LYS 39 2HB LYS 39 5.707 16.963 -4.053
278 HG2 LYS 39 1HG LYS 39 4.705 18.223 -2.408
279 HG3 LYS 39 2HG LYS 39 6.286 17.880 -1.701
280 HD2 LYS 39 1HD LYS 39 7.007 20.039 -1.927
281 HD3 LYS 39 2HD LYS 39 5.989 20.346 -3.336
282 HE2 LYS 39 1HE LYS 39 5.037 20.105 -0.483
283 HE3 LYS 39 2HE LYS 39 5.229 21.609 -1.383
284 HZ1 LYS 39 3HZ LYS 39 2.998 19.962 -1.295
285 HZ2 LYS 39 1HZ LYS 39 3.627 19.821 -2.859
286 HZ3 LYS 39 2HZ LYS 39 3.223 21.344 -2.245
287 HA PRO 40 HA PRO 40 10.466 20.267 -5.587
288 HB2 PRO 40 1HB PRO 40 9.720 20.638 -8.171
289 HB3 PRO 40 2HB PRO 40 10.741 19.293 -7.649
290 HG2 PRO 40 1HG PRO 40 7.800 19.333 -8.207
291 HG3 PRO 40 2HG PRO 40 9.009 18.118 -8.662
292 HD2 PRO 40 1HD PRO 40 7.343 17.795 -6.553
293 HD3 PRO 40 2HD PRO 40 8.990 17.135 -6.578
294 H SER 41 H SER 41 7.061 20.389 -5.540
295 HA SER 41 HA SER 41 6.527 22.941 -6.542
296 HB2 SER 41 1HB SER 41 4.925 21.035 -5.701
297 HB3 SER 41 2HB SER 41 5.026 21.899 -4.166
298 HG SER 41 HG SER 41 4.539 23.445 -6.417
299 H GLY 42 H GLY 42 6.925 22.000 -3.118
300 HA2 GLY 42 1HA GLY 42 7.952 24.725 -2.617
301 HA3 GLY 42 2HA GLY 42 6.828 23.941 -1.517
302 HA PRO 43 HA PRO 43 11.342 23.084 -0.379
303 HB2 PRO 43 1HB PRO 43 11.391 24.510 1.931
304 HB3 PRO 43 2HB PRO 43 11.823 25.204 0.364
305 HG2 PRO 43 1HG PRO 43 9.248 25.400 1.878
306 HG3 PRO 43 2HG PRO 43 10.130 26.665 1.002
307 HD2 PRO 43 1HD PRO 43 7.977 25.400 -0.044
308 HD3 PRO 43 2HD PRO 43 9.319 25.988 -1.046
309 H SER 44 H SER 44 11.915 21.508 1.070
310 HA SER 44 HA SER 44 10.503 20.882 3.432
311 HB2 SER 44 1HB SER 44 8.901 20.141 1.528
312 HB3 SER 44 2HB SER 44 10.037 18.812 1.300
313 HG SER 44 HG SER 44 9.197 19.314 3.902
314 H SER 45 H SER 45 11.960 19.953 4.696
315 HA SER 45 HA SER 45 14.311 18.719 3.499
316 HB2 SER 45 1HB SER 45 13.705 19.369 6.394
317 HB3 SER 45 2HB SER 45 15.254 18.806 5.768
318 HG SER 45 HG SER 45 14.709 21.228 6.050
319 H GLY 46 H GLY 46 15.212 16.768 4.760
320 HA2 GLY 46 1HA GLY 46 13.002 14.903 5.365
321 HA3 GLY 46 2HA GLY 46 14.352 14.436 4.341
Start of MODEL 6
1 H1 GLY 1 H GLY 1 5.940 -21.603 -14.532
2 HA2 GLY 1 1HA GLY 1 6.131 -23.314 -12.181
3 HA3 GLY 1 2HA GLY 1 7.355 -22.061 -12.327
4 H SER 2 H SER 2 3.945 -22.708 -11.874
5 HA SER 2 HA SER 2 2.921 -20.137 -11.816
6 HB2 SER 2 1HB SER 2 2.167 -22.606 -10.252
7 HB3 SER 2 2HB SER 2 1.250 -21.104 -10.142
8 HG SER 2 HG SER 2 1.806 -22.074 -12.691
9 H SER 3 H SER 3 2.227 -18.876 -9.898
10 HA SER 3 HA SER 3 4.497 -18.485 -8.137
11 HB2 SER 3 1HB SER 3 3.476 -16.517 -9.145
12 HB3 SER 3 2HB SER 3 1.914 -16.935 -8.442
13 HG SER 3 HG SER 3 3.461 -16.883 -6.405
14 H GLY 4 H GLY 4 4.460 -18.604 -5.896
15 HA2 GLY 4 1HA GLY 4 2.280 -20.264 -4.816
16 HA3 GLY 4 2HA GLY 4 3.911 -20.182 -4.167
17 H SER 5 H SER 5 1.780 -17.504 -5.072
18 HA SER 5 HA SER 5 1.913 -16.587 -2.276
19 HB2 SER 5 1HB SER 5 3.021 -15.082 -3.881
20 HB3 SER 5 2HB SER 5 1.518 -14.950 -4.795
21 HG SER 5 HG SER 5 0.608 -14.165 -2.724
22 H SER 6 H SER 6 0.076 -17.815 -1.664
23 HA SER 6 HA SER 6 -2.457 -16.613 -2.555
24 HB2 SER 6 1HB SER 6 -2.391 -18.754 -3.637
25 HB3 SER 6 2HB SER 6 -1.869 -19.552 -2.154
26 HG SER 6 HG SER 6 -4.358 -18.228 -2.486
27 H GLY 7 H GLY 7 -3.876 -16.106 -0.968
28 HA2 GLY 7 1HA GLY 7 -4.558 -17.088 1.368
29 HA3 GLY 7 2HA GLY 7 -2.950 -16.511 1.782
30 H SER 8 H SER 8 -2.564 -14.310 1.964
31 HA SER 8 HA SER 8 -4.998 -12.661 2.092
32 HB2 SER 8 1HB SER 8 -2.437 -12.639 3.663
33 HB3 SER 8 2HB SER 8 -3.437 -11.189 3.569
34 HG SER 8 HG SER 8 -5.111 -12.299 4.523
35 H GLY 9 H GLY 9 -4.805 -12.286 -0.227
36 HA2 GLY 9 1HA GLY 9 -3.355 -9.855 -0.750
37 HA3 GLY 9 2HA GLY 9 -2.718 -11.236 -1.631
38 H GLU 10 H GLU 10 -6.098 -10.569 -0.834
39 HA GLU 10 HA GLU 10 -6.640 -10.371 -3.724
40 HB2 GLU 10 1HB GLU 10 -7.508 -12.399 -2.319
41 HB3 GLU 10 2HB GLU 10 -8.712 -11.253 -1.747
42 HG2 GLU 10 1HG GLU 10 -9.081 -10.800 -4.284
43 HG3 GLU 10 2HG GLU 10 -8.313 -12.375 -4.478
44 H LYS 11 H LYS 11 -5.964 -8.067 -2.517
45 HA LYS 11 HA LYS 11 -8.404 -6.705 -1.676
46 HB2 LYS 11 1HB LYS 11 -5.491 -6.124 -1.536
47 HB3 LYS 11 2HB LYS 11 -6.581 -4.746 -1.631
48 HG2 LYS 11 1HG LYS 11 -6.445 -4.980 0.626
49 HG3 LYS 11 2HG LYS 11 -7.824 -6.033 0.304
50 HD2 LYS 11 1HD LYS 11 -5.105 -7.230 0.205
51 HD3 LYS 11 2HD LYS 11 -5.770 -6.820 1.788
52 HE2 LYS 11 1HE LYS 11 -7.253 -8.465 -0.252
53 HE3 LYS 11 2HE LYS 11 -6.209 -9.171 0.981
54 HZ1 LYS 11 3HZ LYS 11 -7.669 -8.685 2.628
55 HZ2 LYS 11 1HZ LYS 11 -8.781 -8.823 1.360
56 HZ3 LYS 11 2HZ LYS 11 -8.264 -7.295 1.870
57 HA PRO 12 HA PRO 12 -9.238 -5.012 -5.655
58 HB2 PRO 12 1HB PRO 12 -10.689 -2.846 -4.900
59 HB3 PRO 12 2HB PRO 12 -11.320 -4.495 -4.831
60 HG2 PRO 12 1HG PRO 12 -10.177 -2.812 -2.635
61 HG3 PRO 12 2HG PRO 12 -11.608 -3.859 -2.613
62 HD2 PRO 12 1HD PRO 12 -9.227 -4.623 -1.575
63 HD3 PRO 12 2HD PRO 12 -10.358 -5.773 -2.317
64 H PHE 13 H PHE 13 -7.725 -3.095 -3.149
65 HA PHE 13 HA PHE 13 -6.719 -1.223 -5.182
66 HB2 PHE 13 1HB PHE 13 -6.861 -0.930 -2.174
67 HB3 PHE 13 2HB PHE 13 -6.182 0.267 -3.273
68 HD1 PHE 13 HD1 PHE 13 -7.668 1.418 -4.902
69 HD2 PHE 13 HD2 PHE 13 -9.186 -1.093 -1.819
70 HE1 PHE 13 HE1 PHE 13 -9.895 2.425 -5.184
71 HE2 PHE 13 HE2 PHE 13 -11.416 -0.091 -2.097
72 HZ PHE 13 HZ PHE 13 -11.773 1.670 -3.781
73 H LYS 14 H LYS 14 -4.678 -1.407 -5.805
74 HA LYS 14 HA LYS 14 -2.731 -2.608 -3.955
75 HB2 LYS 14 1HB LYS 14 -3.340 -4.297 -5.605
76 HB3 LYS 14 2HB LYS 14 -2.998 -3.173 -6.914
77 HG2 LYS 14 1HG LYS 14 -0.621 -3.104 -5.791
78 HG3 LYS 14 2HG LYS 14 -1.127 -4.673 -5.159
79 HD2 LYS 14 1HD LYS 14 -0.120 -5.292 -7.134
80 HD3 LYS 14 2HD LYS 14 -1.801 -5.122 -7.649
81 HE2 LYS 14 1HE LYS 14 0.211 -2.893 -7.857
82 HE3 LYS 14 2HE LYS 14 -0.055 -4.065 -9.147
83 HZ1 LYS 14 3HZ LYS 14 -2.485 -3.376 -8.962
84 HZ2 LYS 14 1HZ LYS 14 -1.420 -2.281 -9.689
85 HZ3 LYS 14 2HZ LYS 14 -1.926 -2.037 -8.093
86 H CYS 15 H CYS 15 -0.667 -1.763 -4.002
87 HA CYS 15 HA CYS 15 -0.432 0.905 -5.034
88 HB2 CYS 15 1HB CYS 15 0.531 0.149 -2.844
89 HB3 CYS 15 2HB CYS 15 1.711 -0.795 -3.746
90 H LYS 16 H LYS 16 0.573 1.591 -6.826
91 HA LYS 16 HA LYS 16 1.622 -0.424 -8.653
92 HB2 LYS 16 1HB LYS 16 -0.041 1.562 -9.181
93 HB3 LYS 16 2HB LYS 16 1.452 2.475 -9.359
94 HG2 LYS 16 1HG LYS 16 2.190 1.101 -11.135
95 HG3 LYS 16 2HG LYS 16 0.933 -0.098 -10.823
96 HD2 LYS 16 1HD LYS 16 0.250 1.151 -12.729
97 HD3 LYS 16 2HD LYS 16 -0.756 1.680 -11.379
98 HE2 LYS 16 1HE LYS 16 -0.142 3.672 -12.416
99 HE3 LYS 16 2HE LYS 16 0.994 3.538 -11.074
100 HZ1 LYS 16 3HZ LYS 16 2.511 3.909 -12.661
101 HZ2 LYS 16 1HZ LYS 16 1.482 3.448 -13.922
102 HZ3 LYS 16 2HZ LYS 16 2.311 2.271 -13.034
103 H GLU 17 H GLU 17 3.056 0.695 -6.214
104 HA GLU 17 HA GLU 17 5.496 1.574 -7.614
105 HB2 GLU 17 1HB GLU 17 4.421 2.338 -4.905
106 HB3 GLU 17 2HB GLU 17 6.104 2.590 -5.347
107 HG2 GLU 17 1HG GLU 17 3.881 3.665 -7.038
108 HG3 GLU 17 2HG GLU 17 4.461 4.536 -5.619
109 H CYS 18 H CYS 18 4.265 -0.219 -4.808
110 HA CYS 18 HA CYS 18 6.715 -1.856 -4.891
111 HB2 CYS 18 1HB CYS 18 6.384 -2.249 -2.464
112 HB3 CYS 18 2HB CYS 18 6.669 -0.554 -2.845
113 H GLY 19 H GLY 19 3.260 -1.883 -4.035
114 HA2 GLY 19 1HA GLY 19 2.031 -3.710 -5.290
115 HA3 GLY 19 2HA GLY 19 3.242 -4.781 -4.599
116 H LYS 20 H LYS 20 2.366 -2.260 -2.517
117 HA LYS 20 HA LYS 20 1.287 -4.015 -0.584
118 HB2 LYS 20 1HB LYS 20 2.388 -1.595 -0.415
119 HB3 LYS 20 2HB LYS 20 0.702 -1.097 -0.436
120 HG2 LYS 20 1HG LYS 20 1.485 -3.258 1.440
121 HG3 LYS 20 2HG LYS 20 1.986 -1.607 1.814
122 HD2 LYS 20 1HD LYS 20 -0.316 -0.854 1.713
123 HD3 LYS 20 2HD LYS 20 -0.848 -2.466 1.228
124 HE2 LYS 20 1HE LYS 20 -0.290 -3.382 3.341
125 HE3 LYS 20 2HE LYS 20 0.600 -1.934 3.811
126 HZ1 LYS 20 3HZ LYS 20 -1.877 -2.406 4.590
127 HZ2 LYS 20 1HZ LYS 20 -2.215 -1.583 3.152
128 HZ3 LYS 20 2HZ LYS 20 -1.284 -0.840 4.352
129 H ALA 21 H ALA 21 -0.739 -4.660 -0.182
130 HA ALA 21 HA ALA 21 -2.854 -3.716 -1.964
131 HB1 ALA 21 3HB ALA 21 -3.903 -5.742 -0.380
132 HB2 ALA 21 1HB ALA 21 -3.294 -5.895 -2.029
133 HB3 ALA 21 2HB ALA 21 -2.229 -6.220 -0.661
134 H PHE 22 H PHE 22 -4.922 -3.099 -1.176
135 HA PHE 22 HA PHE 22 -5.090 -2.421 1.666
136 HB2 PHE 22 1HB PHE 22 -5.943 -0.383 -0.364
137 HB3 PHE 22 2HB PHE 22 -5.543 -0.156 1.336
138 HD1 PHE 22 HD1 PHE 22 -4.092 -0.868 -1.992
139 HD2 PHE 22 HD2 PHE 22 -3.370 0.419 2.001
140 HE1 PHE 22 HE1 PHE 22 -1.812 -0.194 -2.625
141 HE2 PHE 22 HE2 PHE 22 -1.090 1.096 1.374
142 HZ PHE 22 HZ PHE 22 -0.308 0.790 -0.941
143 H ARG 23 H ARG 23 -7.212 -2.187 2.462
144 HA ARG 23 HA ARG 23 -9.185 -3.649 0.912
145 HB2 ARG 23 1HB ARG 23 -9.273 -2.598 3.746
146 HB3 ARG 23 2HB ARG 23 -10.508 -3.604 3.002
147 HG2 ARG 23 1HG ARG 23 -8.595 -5.282 2.608
148 HG3 ARG 23 2HG ARG 23 -7.724 -4.332 3.814
149 HD2 ARG 23 1HD ARG 23 -10.474 -5.464 4.278
150 HD3 ARG 23 2HD ARG 23 -8.995 -6.333 4.685
151 HE ARG 23 HE ARG 23 -8.684 -3.948 5.929
152 HH11 ARG 23 1HH1 ARG 23 -11.214 -6.340 5.914
153 HH12 ARG 23 2HH1 ARG 23 -11.727 -5.997 7.533
154 HH21 ARG 23 1HH2 ARG 23 -9.350 -3.487 8.061
155 HH22 ARG 23 2HH2 ARG 23 -10.667 -4.373 8.753
156 H GLN 24 H GLN 24 -8.607 -0.408 2.094
157 HA GLN 24 HA GLN 24 -11.102 0.466 0.794
158 HB2 GLN 24 1HB GLN 24 -9.640 1.612 3.171
159 HB3 GLN 24 2HB GLN 24 -10.906 2.483 2.316
160 HG2 GLN 24 1HG GLN 24 -12.472 0.654 2.826
161 HG3 GLN 24 2HG GLN 24 -11.200 -0.149 3.744
162 HE21 GLN 24 1HE2 GLN 24 -10.095 1.542 5.312
163 HE22 GLN 24 2HE2 GLN 24 -11.214 2.390 6.318
164 H ASN 25 H ASN 25 -11.056 2.462 -0.358
165 HA ASN 25 HA ASN 25 -8.792 2.791 -1.995
166 HB2 ASN 25 1HB ASN 25 -10.698 3.509 -3.064
167 HB3 ASN 25 2HB ASN 25 -11.364 4.249 -1.611
168 HD21 ASN 25 1HD2 ASN 25 -9.200 4.648 -4.301
169 HD22 ASN 25 2HD2 ASN 25 -9.006 6.358 -4.150
170 H ILE 26 H ILE 26 -9.904 4.502 0.872
171 HA ILE 26 HA ILE 26 -8.139 6.682 0.758
172 HB ILE 26 HB ILE 26 -10.057 6.632 2.278
173 HG12 ILE 26 1HG1 ILE 26 -8.855 7.445 4.345
174 HG13 ILE 26 2HG1 ILE 26 -7.350 6.931 3.590
175 HG21 ILE 26 1HG2 ILE 26 -9.502 4.130 2.855
176 HG22 ILE 26 2HG2 ILE 26 -8.601 4.864 4.180
177 HG23 ILE 26 3HG2 ILE 26 -10.331 5.165 4.018
178 HD11 ILE 26 3HD1 ILE 26 -7.528 8.547 1.900
179 HD12 ILE 26 1HD1 ILE 26 -9.220 8.871 2.275
180 HD13 ILE 26 2HD1 ILE 26 -7.956 9.376 3.396
181 H HIS 27 H HIS 27 -7.789 3.460 2.171
182 HA HIS 27 HA HIS 27 -5.372 3.837 3.510
183 HB2 HIS 27 1HB HIS 27 -6.822 1.489 2.397
184 HB3 HIS 27 2HB HIS 27 -5.127 1.267 2.820
185 HD1 HIS 27 HD1 HIS 27 -4.898 0.336 5.086
186 HD2 HIS 27 HD2 HIS 27 -8.169 2.883 4.802
187 HE1 HIS 27 HE1 HIS 27 -5.936 0.355 7.377
188 H LEU 28 H LEU 28 -5.980 2.824 0.163
189 HA LEU 28 HA LEU 28 -3.265 2.478 -0.539
190 HB2 LEU 28 1HB LEU 28 -4.813 1.433 -1.937
191 HB3 LEU 28 2HB LEU 28 -5.789 2.892 -2.097
192 HG LEU 28 HG LEU 28 -3.961 3.885 -3.470
193 HD11 LEU 28 1HD1 LEU 28 -2.098 2.705 -4.134
194 HD12 LEU 28 2HD1 LEU 28 -2.828 1.140 -3.776
195 HD13 LEU 28 3HD1 LEU 28 -2.276 2.177 -2.460
196 HD21 LEU 28 3HD2 LEU 28 -5.961 2.745 -4.429
197 HD22 LEU 28 1HD2 LEU 28 -4.997 1.274 -4.561
198 HD23 LEU 28 2HD2 LEU 28 -4.539 2.712 -5.473
199 H ALA 29 H ALA 29 -5.520 5.158 -1.206
200 HA ALA 29 HA ALA 29 -3.750 6.862 -2.492
201 HB1 ALA 29 3HB ALA 29 -5.708 7.908 -2.659
202 HB2 ALA 29 1HB ALA 29 -6.352 7.082 -1.240
203 HB3 ALA 29 2HB ALA 29 -5.401 8.555 -1.047
204 H SER 30 H SER 30 -4.359 6.455 0.969
205 HA SER 30 HA SER 30 -2.677 8.587 1.803
206 HB2 SER 30 1HB SER 30 -3.910 6.223 3.192
207 HB3 SER 30 2HB SER 30 -2.754 7.254 4.033
208 HG SER 30 HG SER 30 -4.120 8.984 3.767
209 H HIS 31 H HIS 31 -2.102 5.323 0.843
210 HA HIS 31 HA HIS 31 0.470 5.091 2.110
211 HB2 HIS 31 1HB HIS 31 -0.739 3.059 1.735
212 HB3 HIS 31 2HB HIS 31 -0.946 3.426 0.025
213 HD1 HIS 31 HD1 HIS 31 1.702 2.373 2.496
214 HD2 HIS 31 HD2 HIS 31 1.107 2.597 -1.610
215 HE1 HIS 31 HE1 HIS 31 3.652 1.162 1.467
216 H LEU 32 H LEU 32 -0.665 5.551 -1.230
217 HA LEU 32 HA LEU 32 1.672 5.600 -2.617
218 HB2 LEU 32 1HB LEU 32 -0.659 7.487 -2.912
219 HB3 LEU 32 2HB LEU 32 0.620 7.285 -4.108
220 HG LEU 32 HG LEU 32 -1.208 5.054 -3.234
221 HD11 LEU 32 1HD1 LEU 32 -2.042 5.585 -5.706
222 HD12 LEU 32 2HD1 LEU 32 -1.577 7.216 -5.222
223 HD13 LEU 32 3HD1 LEU 32 -2.770 6.322 -4.279
224 HD21 LEU 32 3HD2 LEU 32 1.061 5.322 -5.082
225 HD22 LEU 32 1HD2 LEU 32 -0.345 4.481 -5.735
226 HD23 LEU 32 2HD2 LEU 32 0.424 3.897 -4.259
227 H ARG 33 H ARG 33 0.675 7.823 -0.190
228 HA ARG 33 HA ARG 33 2.045 10.134 -0.822
229 HB2 ARG 33 1HB ARG 33 1.846 8.942 1.947
230 HB3 ARG 33 2HB ARG 33 2.056 10.640 1.539
231 HG2 ARG 33 1HG ARG 33 -0.335 9.255 0.465
232 HG3 ARG 33 2HG ARG 33 -0.297 9.621 2.192
233 HD2 ARG 33 1HD ARG 33 -1.287 11.514 1.300
234 HD3 ARG 33 2HD ARG 33 0.406 11.991 1.424
235 HE ARG 33 HE ARG 33 0.228 11.006 -1.087
236 HH11 ARG 33 1HH1 ARG 33 -1.605 13.376 0.687
237 HH12 ARG 33 2HH1 ARG 33 -2.010 14.305 -0.718
238 HH21 ARG 33 1HH2 ARG 33 -0.300 12.220 -2.944
239 HH22 ARG 33 2HH2 ARG 33 -1.268 13.646 -2.783
240 H ILE 34 H ILE 34 3.276 7.402 1.112
241 HA ILE 34 HA ILE 34 5.866 8.327 1.481
242 HB ILE 34 HB ILE 34 6.521 6.052 1.931
243 HG12 ILE 34 1HG1 ILE 34 3.881 4.961 1.065
244 HG13 ILE 34 2HG1 ILE 34 5.095 5.277 -0.170
245 HG21 ILE 34 1HG2 ILE 34 3.729 6.717 2.836
246 HG22 ILE 34 2HG2 ILE 34 4.668 5.377 3.492
247 HG23 ILE 34 3HG2 ILE 34 5.246 7.032 3.678
248 HD11 ILE 34 3HD1 ILE 34 5.337 3.021 0.431
249 HD12 ILE 34 1HD1 ILE 34 6.671 3.871 1.211
250 HD13 ILE 34 2HD1 ILE 34 5.260 3.389 2.154
251 H HIS 35 H HIS 35 4.355 7.216 -1.379
252 HA HIS 35 HA HIS 35 6.898 6.673 -2.711
253 HB2 HIS 35 1HB HIS 35 4.020 6.284 -3.511
254 HB3 HIS 35 2HB HIS 35 5.334 6.135 -4.673
255 HD1 HIS 35 HD1 HIS 35 7.197 4.260 -3.993
256 HD2 HIS 35 HD2 HIS 35 3.492 4.007 -2.130
257 HE1 HIS 35 HE1 HIS 35 7.063 1.922 -3.078
258 H THR 36 H THR 36 4.345 9.041 -2.571
259 HA THR 36 HA THR 36 5.868 10.720 -4.452
260 HB THR 36 HB THR 36 3.959 10.107 -5.708
261 HG1 THR 36 HG1 THR 36 3.977 12.210 -6.086
262 HG21 THR 36 3HG2 THR 36 2.647 10.117 -3.101
263 HG22 THR 36 1HG2 THR 36 2.252 9.212 -4.561
264 HG23 THR 36 2HG2 THR 36 1.678 10.869 -4.368
265 H GLY 37 H GLY 37 6.779 11.379 -2.288
266 HA2 GLY 37 1HA GLY 37 5.365 13.765 -1.409
267 HA3 GLY 37 2HA GLY 37 5.632 12.541 -0.176
268 H GLU 38 H GLU 38 8.197 11.684 -1.157
269 HA GLU 38 HA GLU 38 9.815 13.685 0.110
270 HB2 GLU 38 1HB GLU 38 10.647 11.144 -1.302
271 HB3 GLU 38 2HB GLU 38 11.664 12.121 -0.252
272 HG2 GLU 38 1HG GLU 38 10.423 11.542 1.662
273 HG3 GLU 38 2HG GLU 38 9.109 10.868 0.698
274 H LYS 39 H LYS 39 8.767 14.998 -1.944
275 HA LYS 39 HA LYS 39 10.805 15.025 -4.062
276 HB2 LYS 39 1HB LYS 39 9.125 16.413 -5.312
277 HB3 LYS 39 2HB LYS 39 8.614 14.765 -4.976
278 HG2 LYS 39 1HG LYS 39 7.342 15.634 -3.017
279 HG3 LYS 39 2HG LYS 39 7.744 17.268 -3.551
280 HD2 LYS 39 1HD LYS 39 6.527 15.415 -5.531
281 HD3 LYS 39 2HD LYS 39 5.486 16.070 -4.265
282 HE2 LYS 39 1HE LYS 39 7.254 17.802 -5.974
283 HE3 LYS 39 2HE LYS 39 5.607 17.380 -6.438
284 HZ1 LYS 39 3HZ LYS 39 6.430 18.850 -3.993
285 HZ2 LYS 39 1HZ LYS 39 4.846 18.359 -4.330
286 HZ3 LYS 39 2HZ LYS 39 5.611 19.490 -5.328
287 HA PRO 40 HA PRO 40 12.442 18.752 -2.339
288 HB2 PRO 40 1HB PRO 40 13.930 19.511 -4.479
289 HB3 PRO 40 2HB PRO 40 14.400 18.191 -3.401
290 HG2 PRO 40 1HG PRO 40 13.066 18.066 -6.078
291 HG3 PRO 40 2HG PRO 40 14.382 17.066 -5.436
292 HD2 PRO 40 1HD PRO 40 11.809 16.223 -5.501
293 HD3 PRO 40 2HD PRO 40 12.944 15.728 -4.229
294 H SER 41 H SER 41 10.523 19.984 -2.206
295 HA SER 41 HA SER 41 9.885 21.604 -4.578
296 HB2 SER 41 1HB SER 41 8.249 20.666 -2.246
297 HB3 SER 41 2HB SER 41 7.775 22.128 -3.112
298 HG SER 41 HG SER 41 6.801 20.682 -4.324
299 H GLY 42 H GLY 42 9.827 21.960 -1.023
300 HA2 GLY 42 1HA GLY 42 11.470 23.698 -0.193
301 HA3 GLY 42 2HA GLY 42 10.744 24.741 -1.406
302 HA PRO 43 HA PRO 43 7.966 26.167 1.684
303 HB2 PRO 43 1HB PRO 43 5.991 27.127 0.088
304 HB3 PRO 43 2HB PRO 43 7.549 27.939 0.282
305 HG2 PRO 43 1HG PRO 43 6.610 26.144 -1.922
306 HG3 PRO 43 2HG PRO 43 7.521 27.661 -2.026
307 HD2 PRO 43 1HD PRO 43 8.703 25.234 -2.238
308 HD3 PRO 43 2HD PRO 43 9.525 26.638 -1.528
309 H SER 44 H SER 44 5.492 26.099 2.129
310 HA SER 44 HA SER 44 4.694 23.299 1.928
311 HB2 SER 44 1HB SER 44 3.545 25.560 3.583
312 HB3 SER 44 2HB SER 44 3.037 23.874 3.667
313 HG SER 44 HG SER 44 5.530 23.660 4.014
314 H SER 45 H SER 45 4.491 24.667 -0.472
315 HA SER 45 HA SER 45 1.579 25.001 -0.778
316 HB2 SER 45 1HB SER 45 3.883 26.350 -2.168
317 HB3 SER 45 2HB SER 45 2.285 26.282 -2.912
318 HG SER 45 HG SER 45 2.422 27.124 -0.262
319 H GLY 46 H GLY 46 2.700 22.456 -0.788
320 HA2 GLY 46 1HA GLY 46 3.623 21.219 -2.965
321 HA3 GLY 46 2HA GLY 46 2.271 20.554 -2.061
Start of MODEL 7
1 H1 GLY 1 H GLY 1 3.704 -28.703 -13.979
2 HA2 GLY 1 1HA GLY 1 5.013 -26.826 -13.556
3 HA3 GLY 1 2HA GLY 1 3.429 -26.170 -13.172
4 H SER 2 H SER 2 6.378 -26.067 -12.073
5 HA SER 2 HA SER 2 5.949 -26.771 -9.299
6 HB2 SER 2 1HB SER 2 8.269 -25.594 -10.820
7 HB3 SER 2 2HB SER 2 8.275 -25.702 -9.060
8 HG SER 2 HG SER 2 7.603 -28.000 -10.485
9 H SER 3 H SER 3 4.092 -24.896 -10.167
10 HA SER 3 HA SER 3 4.718 -22.685 -8.374
11 HB2 SER 3 1HB SER 3 3.857 -22.283 -11.249
12 HB3 SER 3 2HB SER 3 3.903 -21.010 -10.030
13 HG SER 3 HG SER 3 6.101 -21.182 -9.935
14 H GLY 4 H GLY 4 3.091 -22.579 -6.984
15 HA2 GLY 4 1HA GLY 4 0.349 -22.598 -7.949
16 HA3 GLY 4 2HA GLY 4 0.780 -23.924 -6.879
17 H SER 5 H SER 5 0.001 -20.578 -7.115
18 HA SER 5 HA SER 5 0.165 -20.357 -4.180
19 HB2 SER 5 1HB SER 5 0.545 -17.929 -4.481
20 HB3 SER 5 2HB SER 5 1.824 -18.894 -5.219
21 HG SER 5 HG SER 5 -0.316 -17.551 -6.494
22 H SER 6 H SER 6 -2.007 -21.182 -4.119
23 HA SER 6 HA SER 6 -4.031 -19.234 -5.009
24 HB2 SER 6 1HB SER 6 -5.639 -21.153 -4.899
25 HB3 SER 6 2HB SER 6 -4.368 -21.359 -6.104
26 HG SER 6 HG SER 6 -4.959 -22.905 -3.986
27 H GLY 7 H GLY 7 -3.854 -17.950 -3.137
28 HA2 GLY 7 1HA GLY 7 -4.702 -19.258 -0.631
29 HA3 GLY 7 2HA GLY 7 -3.786 -17.761 -0.720
30 H SER 8 H SER 8 -4.870 -15.912 -0.529
31 HA SER 8 HA SER 8 -7.435 -15.428 -1.597
32 HB2 SER 8 1HB SER 8 -8.788 -15.349 0.410
33 HB3 SER 8 2HB SER 8 -8.085 -16.960 0.268
34 HG SER 8 HG SER 8 -6.335 -15.790 1.652
35 H GLY 9 H GLY 9 -8.383 -13.333 -0.636
36 HA2 GLY 9 1HA GLY 9 -7.130 -11.513 0.932
37 HA3 GLY 9 2HA GLY 9 -6.234 -11.406 -0.576
38 H GLU 10 H GLU 10 -8.743 -10.119 1.137
39 HA GLU 10 HA GLU 10 -10.342 -9.413 -1.205
40 HB2 GLU 10 1HB GLU 10 -11.825 -8.315 0.529
41 HB3 GLU 10 2HB GLU 10 -11.683 -10.063 0.637
42 HG2 GLU 10 1HG GLU 10 -10.176 -9.895 2.484
43 HG3 GLU 10 2HG GLU 10 -10.079 -8.144 2.305
44 H LYS 11 H LYS 11 -8.002 -8.297 -1.589
45 HA LYS 11 HA LYS 11 -8.316 -5.490 -0.743
46 HB2 LYS 11 1HB LYS 11 -5.877 -7.188 -1.105
47 HB3 LYS 11 2HB LYS 11 -5.765 -5.452 -1.365
48 HG2 LYS 11 1HG LYS 11 -5.213 -5.528 0.832
49 HG3 LYS 11 2HG LYS 11 -6.966 -5.389 0.991
50 HD2 LYS 11 1HD LYS 11 -6.501 -7.144 2.418
51 HD3 LYS 11 2HD LYS 11 -6.900 -7.995 0.924
52 HE2 LYS 11 1HE LYS 11 -4.557 -8.271 0.410
53 HE3 LYS 11 2HE LYS 11 -4.101 -7.299 1.808
54 HZ1 LYS 11 3HZ LYS 11 -5.475 -9.110 3.066
55 HZ2 LYS 11 1HZ LYS 11 -3.861 -9.393 2.642
56 HZ3 LYS 11 2HZ LYS 11 -5.108 -10.050 1.707
57 HA PRO 12 HA PRO 12 -9.023 -5.431 -5.258
58 HB2 PRO 12 1HB PRO 12 -10.614 -3.232 -5.184
59 HB3 PRO 12 2HB PRO 12 -11.215 -4.864 -4.869
60 HG2 PRO 12 1HG PRO 12 -10.452 -2.718 -2.926
61 HG3 PRO 12 2HG PRO 12 -11.850 -3.810 -2.895
62 HD2 PRO 12 1HD PRO 12 -9.640 -4.230 -1.388
63 HD3 PRO 12 2HD PRO 12 -10.622 -5.560 -2.033
64 H PHE 13 H PHE 13 -7.790 -3.108 -2.998
65 HA PHE 13 HA PHE 13 -6.738 -1.436 -5.164
66 HB2 PHE 13 1HB PHE 13 -6.873 -0.973 -2.179
67 HB3 PHE 13 2HB PHE 13 -6.132 0.141 -3.322
68 HD1 PHE 13 HD1 PHE 13 -7.579 1.161 -5.120
69 HD2 PHE 13 HD2 PHE 13 -9.175 -0.936 -1.777
70 HE1 PHE 13 HE1 PHE 13 -9.763 2.230 -5.496
71 HE2 PHE 13 HE2 PHE 13 -11.361 0.128 -2.149
72 HZ PHE 13 HZ PHE 13 -11.658 1.713 -4.011
73 H LYS 14 H LYS 14 -4.669 -1.518 -5.747
74 HA LYS 14 HA LYS 14 -2.714 -2.690 -3.891
75 HB2 LYS 14 1HB LYS 14 -3.297 -4.444 -5.461
76 HB3 LYS 14 2HB LYS 14 -3.033 -3.361 -6.822
77 HG2 LYS 14 1HG LYS 14 -0.621 -3.190 -5.759
78 HG3 LYS 14 2HG LYS 14 -1.067 -4.766 -5.100
79 HD2 LYS 14 1HD LYS 14 -1.819 -5.185 -7.607
80 HD3 LYS 14 2HD LYS 14 -0.610 -3.937 -7.920
81 HE2 LYS 14 1HE LYS 14 0.877 -5.400 -6.346
82 HE3 LYS 14 2HE LYS 14 -0.267 -6.673 -6.768
83 HZ1 LYS 14 3HZ LYS 14 1.538 -5.167 -8.563
84 HZ2 LYS 14 1HZ LYS 14 0.208 -6.029 -9.157
85 HZ3 LYS 14 2HZ LYS 14 1.441 -6.840 -8.331
86 H CYS 15 H CYS 15 -0.728 -1.740 -3.871
87 HA CYS 15 HA CYS 15 -0.494 0.859 -5.024
88 HB2 CYS 15 1HB CYS 15 0.490 0.051 -2.806
89 HB3 CYS 15 2HB CYS 15 1.750 -0.715 -3.768
90 H LYS 16 H LYS 16 0.224 1.381 -6.973
91 HA LYS 16 HA LYS 16 1.414 -0.641 -8.670
92 HB2 LYS 16 1HB LYS 16 -0.344 1.240 -9.267
93 HB3 LYS 16 2HB LYS 16 1.103 2.205 -9.525
94 HG2 LYS 16 1HG LYS 16 0.733 1.382 -11.628
95 HG3 LYS 16 2HG LYS 16 1.849 0.175 -10.985
96 HD2 LYS 16 1HD LYS 16 -0.084 -1.239 -10.378
97 HD3 LYS 16 2HD LYS 16 -1.158 -0.048 -11.116
98 HE2 LYS 16 1HE LYS 16 -0.871 -1.660 -12.780
99 HE3 LYS 16 2HE LYS 16 0.247 -0.375 -13.233
100 HZ1 LYS 16 3HZ LYS 16 2.063 -1.618 -12.345
101 HZ2 LYS 16 1HZ LYS 16 1.200 -2.637 -13.383
102 HZ3 LYS 16 2HZ LYS 16 1.032 -2.797 -11.707
103 H GLU 17 H GLU 17 2.851 0.645 -6.328
104 HA GLU 17 HA GLU 17 5.217 1.572 -7.822
105 HB2 GLU 17 1HB GLU 17 4.135 2.418 -5.144
106 HB3 GLU 17 2HB GLU 17 5.819 2.681 -5.577
107 HG2 GLU 17 1HG GLU 17 3.513 3.681 -7.224
108 HG3 GLU 17 2HG GLU 17 4.286 4.625 -5.951
109 H CYS 18 H CYS 18 4.176 -0.088 -4.852
110 HA CYS 18 HA CYS 18 6.706 -1.597 -4.910
111 HB2 CYS 18 1HB CYS 18 6.354 -1.970 -2.485
112 HB3 CYS 18 2HB CYS 18 6.506 -0.264 -2.890
113 H GLY 19 H GLY 19 3.220 -1.838 -4.322
114 HA2 GLY 19 1HA GLY 19 2.130 -3.753 -5.467
115 HA3 GLY 19 2HA GLY 19 3.440 -4.740 -4.838
116 H LYS 20 H LYS 20 2.235 -2.287 -2.764
117 HA LYS 20 HA LYS 20 1.471 -4.146 -0.773
118 HB2 LYS 20 1HB LYS 20 2.196 -1.600 -0.646
119 HB3 LYS 20 2HB LYS 20 0.458 -1.338 -0.709
120 HG2 LYS 20 1HG LYS 20 0.730 -1.447 1.539
121 HG3 LYS 20 2HG LYS 20 0.482 -3.163 1.207
122 HD2 LYS 20 1HD LYS 20 2.966 -3.413 1.068
123 HD3 LYS 20 2HD LYS 20 3.110 -1.739 1.608
124 HE2 LYS 20 1HE LYS 20 1.770 -2.381 3.631
125 HE3 LYS 20 2HE LYS 20 1.908 -4.059 3.108
126 HZ1 LYS 20 3HZ LYS 20 3.808 -4.105 4.228
127 HZ2 LYS 20 1HZ LYS 20 3.814 -2.429 4.458
128 HZ3 LYS 20 2HZ LYS 20 4.469 -3.090 3.046
129 H ALA 21 H ALA 21 -0.649 -4.383 0.196
130 HA ALA 21 HA ALA 21 -2.827 -4.079 -1.768
131 HB1 ALA 21 3HB ALA 21 -2.254 -6.332 0.137
132 HB2 ALA 21 1HB ALA 21 -3.825 -6.112 -0.635
133 HB3 ALA 21 2HB ALA 21 -2.388 -6.392 -1.620
134 H PHE 22 H PHE 22 -4.721 -3.208 -1.094
135 HA PHE 22 HA PHE 22 -5.032 -2.638 1.773
136 HB2 PHE 22 1HB PHE 22 -5.893 -0.632 -0.286
137 HB3 PHE 22 2HB PHE 22 -5.547 -0.388 1.423
138 HD1 PHE 22 HD1 PHE 22 -3.922 -1.220 -1.810
139 HD2 PHE 22 HD2 PHE 22 -3.474 0.408 2.097
140 HE1 PHE 22 HE1 PHE 22 -1.646 -0.481 -2.383
141 HE2 PHE 22 HE2 PHE 22 -1.198 1.151 1.530
142 HZ PHE 22 HZ PHE 22 -0.282 0.707 -0.712
143 H ARG 23 H ARG 23 -7.328 -1.875 2.253
144 HA ARG 23 HA ARG 23 -9.172 -3.655 0.825
145 HB2 ARG 23 1HB ARG 23 -9.241 -2.424 3.576
146 HB3 ARG 23 2HB ARG 23 -10.641 -3.214 2.864
147 HG2 ARG 23 1HG ARG 23 -9.526 -5.310 2.789
148 HG3 ARG 23 2HG ARG 23 -7.980 -4.569 3.209
149 HD2 ARG 23 1HD ARG 23 -9.205 -3.807 5.357
150 HD3 ARG 23 2HD ARG 23 -10.379 -5.053 4.936
151 HE ARG 23 HE ARG 23 -8.076 -6.412 4.827
152 HH11 ARG 23 1HH1 ARG 23 -9.372 -4.242 7.221
153 HH12 ARG 23 2HH1 ARG 23 -8.577 -5.022 8.548
154 HH21 ARG 23 1HH2 ARG 23 -7.023 -7.447 6.565
155 HH22 ARG 23 2HH2 ARG 23 -7.240 -6.844 8.173
156 H GLN 24 H GLN 24 -8.793 -0.323 1.923
157 HA GLN 24 HA GLN 24 -11.066 0.426 0.204
158 HB2 GLN 24 1HB GLN 24 -10.099 2.033 2.561
159 HB3 GLN 24 2HB GLN 24 -11.611 2.202 1.681
160 HG2 GLN 24 1HG GLN 24 -11.031 -0.356 3.088
161 HG3 GLN 24 2HG GLN 24 -11.541 1.049 4.022
162 HE21 GLN 24 1HE2 GLN 24 -12.434 -1.040 1.333
163 HE22 GLN 24 2HE2 GLN 24 -14.140 -0.814 1.486
164 H ASN 25 H ASN 25 -10.921 2.656 -0.683
165 HA ASN 25 HA ASN 25 -8.446 3.007 -2.030
166 HB2 ASN 25 1HB ASN 25 -9.489 4.861 -3.133
167 HB3 ASN 25 2HB ASN 25 -10.714 3.611 -2.945
168 HD21 ASN 25 1HD2 ASN 25 -10.527 6.722 -3.023
169 HD22 ASN 25 2HD2 ASN 25 -11.628 7.190 -1.776
170 H ILE 26 H ILE 26 -9.938 4.510 0.763
171 HA ILE 26 HA ILE 26 -8.365 6.786 1.020
172 HB ILE 26 HB ILE 26 -10.242 6.548 2.459
173 HG12 ILE 26 1HG1 ILE 26 -7.903 6.192 4.324
174 HG13 ILE 26 2HG1 ILE 26 -8.088 7.641 3.342
175 HG21 ILE 26 1HG2 ILE 26 -8.901 4.038 3.440
176 HG22 ILE 26 2HG2 ILE 26 -10.258 4.802 4.268
177 HG23 ILE 26 3HG2 ILE 26 -10.459 4.189 2.627
178 HD11 ILE 26 3HD1 ILE 26 -10.351 7.929 4.386
179 HD12 ILE 26 1HD1 ILE 26 -9.916 6.632 5.499
180 HD13 ILE 26 2HD1 ILE 26 -8.977 8.125 5.474
181 H HIS 27 H HIS 27 -7.683 3.452 1.903
182 HA HIS 27 HA HIS 27 -5.324 3.986 3.389
183 HB2 HIS 27 1HB HIS 27 -6.304 1.488 1.999
184 HB3 HIS 27 2HB HIS 27 -4.856 1.540 3.000
185 HD1 HIS 27 HD1 HIS 27 -7.115 -0.309 3.816
186 HD2 HIS 27 HD2 HIS 27 -6.790 3.614 5.142
187 HE1 HIS 27 HE1 HIS 27 -8.427 -0.213 5.959
188 H LEU 28 H LEU 28 -5.861 2.926 0.036
189 HA LEU 28 HA LEU 28 -3.189 2.757 -0.741
190 HB2 LEU 28 1HB LEU 28 -4.924 1.852 -2.119
191 HB3 LEU 28 2HB LEU 28 -5.658 3.441 -2.323
192 HG LEU 28 HG LEU 28 -3.571 4.123 -3.561
193 HD11 LEU 28 1HD1 LEU 28 -2.443 1.999 -4.583
194 HD12 LEU 28 2HD1 LEU 28 -2.982 1.239 -3.086
195 HD13 LEU 28 3HD1 LEU 28 -1.906 2.634 -3.027
196 HD21 LEU 28 3HD2 LEU 28 -5.282 1.897 -4.659
197 HD22 LEU 28 1HD2 LEU 28 -4.231 2.927 -5.631
198 HD23 LEU 28 2HD2 LEU 28 -5.595 3.630 -4.761
199 H ALA 29 H ALA 29 -5.451 5.477 -1.194
200 HA ALA 29 HA ALA 29 -3.635 7.271 -2.314
201 HB1 ALA 29 3HB ALA 29 -5.830 7.946 -2.511
202 HB2 ALA 29 1HB ALA 29 -6.204 7.588 -0.825
203 HB3 ALA 29 2HB ALA 29 -5.246 9.012 -1.232
204 H SER 30 H SER 30 -4.237 6.418 1.031
205 HA SER 30 HA SER 30 -2.665 8.576 2.102
206 HB2 SER 30 1HB SER 30 -4.145 6.241 3.215
207 HB3 SER 30 2HB SER 30 -2.856 6.934 4.199
208 HG SER 30 HG SER 30 -4.580 8.119 4.747
209 H HIS 31 H HIS 31 -1.992 5.549 0.736
210 HA HIS 31 HA HIS 31 0.539 5.237 2.159
211 HB2 HIS 31 1HB HIS 31 -0.702 3.199 1.851
212 HB3 HIS 31 2HB HIS 31 -0.873 3.503 0.125
213 HD1 HIS 31 HD1 HIS 31 1.876 2.793 2.649
214 HD2 HIS 31 HD2 HIS 31 1.054 2.346 -1.399
215 HE1 HIS 31 HE1 HIS 31 3.801 1.473 1.713
216 H LEU 32 H LEU 32 -0.609 5.488 -1.205
217 HA LEU 32 HA LEU 32 1.738 5.549 -2.577
218 HB2 LEU 32 1HB LEU 32 -0.657 7.326 -3.013
219 HB3 LEU 32 2HB LEU 32 0.633 7.072 -4.186
220 HG LEU 32 HG LEU 32 -1.049 4.806 -3.150
221 HD11 LEU 32 1HD1 LEU 32 -1.573 6.390 -5.656
222 HD12 LEU 32 2HD1 LEU 32 -2.478 6.589 -4.156
223 HD13 LEU 32 3HD1 LEU 32 -2.518 5.048 -5.012
224 HD21 LEU 32 3HD2 LEU 32 0.303 5.030 -5.813
225 HD22 LEU 32 1HD2 LEU 32 -0.189 3.585 -4.929
226 HD23 LEU 32 2HD2 LEU 32 1.200 4.523 -4.381
227 H ARG 33 H ARG 33 0.635 7.866 -0.293
228 HA ARG 33 HA ARG 33 1.993 10.163 -1.107
229 HB2 ARG 33 1HB ARG 33 1.774 9.444 1.794
230 HB3 ARG 33 2HB ARG 33 1.585 11.012 1.022
231 HG2 ARG 33 1HG ARG 33 -0.482 9.782 -0.100
232 HG3 ARG 33 2HG ARG 33 -0.371 8.819 1.375
233 HD2 ARG 33 1HD ARG 33 -0.361 11.816 1.462
234 HD3 ARG 33 2HD ARG 33 -1.871 10.909 1.385
235 HE ARG 33 HE ARG 33 -0.090 10.049 3.477
236 HH11 ARG 33 1HH1 ARG 33 -2.636 12.253 2.593
237 HH12 ARG 33 2HH1 ARG 33 -3.168 12.498 4.223
238 HH21 ARG 33 1HH2 ARG 33 -0.780 10.365 5.628
239 HH22 ARG 33 2HH2 ARG 33 -2.110 11.425 5.949
240 H ILE 34 H ILE 34 3.068 7.592 1.111
241 HA ILE 34 HA ILE 34 5.615 8.609 1.635
242 HB ILE 34 HB ILE 34 6.228 6.419 2.396
243 HG12 ILE 34 1HG1 ILE 34 3.723 5.147 1.409
244 HG13 ILE 34 2HG1 ILE 34 5.013 5.412 0.240
245 HG21 ILE 34 1HG2 ILE 34 3.625 7.572 3.044
246 HG22 ILE 34 2HG2 ILE 34 3.773 5.869 3.474
247 HG23 ILE 34 3HG2 ILE 34 4.928 7.041 4.108
248 HD11 ILE 34 3HD1 ILE 34 6.470 3.981 1.346
249 HD12 ILE 34 1HD1 ILE 34 5.544 4.044 2.846
250 HD13 ILE 34 2HD1 ILE 34 4.910 3.165 1.454
251 H HIS 35 H HIS 35 4.350 7.116 -1.189
252 HA HIS 35 HA HIS 35 6.895 6.283 -2.252
253 HB2 HIS 35 1HB HIS 35 4.070 6.276 -3.204
254 HB3 HIS 35 2HB HIS 35 5.347 6.195 -4.415
255 HD1 HIS 35 HD1 HIS 35 7.046 4.124 -4.132
256 HD2 HIS 35 HD2 HIS 35 3.495 3.904 -1.986
257 HE1 HIS 35 HE1 HIS 35 6.805 1.708 -3.476
258 H THR 36 H THR 36 4.761 9.052 -2.548
259 HA THR 36 HA THR 36 6.466 10.253 -4.590
260 HB THR 36 HB THR 36 3.888 10.345 -4.611
261 HG1 THR 36 HG1 THR 36 4.829 11.623 -6.091
262 HG21 THR 36 3HG2 THR 36 3.661 11.087 -2.260
263 HG22 THR 36 1HG2 THR 36 2.880 12.185 -3.397
264 HG23 THR 36 2HG2 THR 36 4.439 12.609 -2.690
265 H GLY 37 H GLY 37 6.254 10.149 -1.242
266 HA2 GLY 37 1HA GLY 37 8.145 12.345 -1.009
267 HA3 GLY 37 2HA GLY 37 6.625 12.563 -0.154
268 H GLU 38 H GLU 38 9.746 11.386 0.061
269 HA GLU 38 HA GLU 38 9.053 9.689 2.368
270 HB2 GLU 38 1HB GLU 38 10.200 8.389 0.713
271 HB3 GLU 38 2HB GLU 38 11.441 9.620 0.524
272 HG2 GLU 38 1HG GLU 38 12.314 9.166 2.705
273 HG3 GLU 38 2HG GLU 38 10.981 8.068 3.058
274 H LYS 39 H LYS 39 9.877 10.151 4.337
275 HA LYS 39 HA LYS 39 12.108 11.944 4.672
276 HB2 LYS 39 1HB LYS 39 10.757 13.515 6.133
277 HB3 LYS 39 2HB LYS 39 10.486 13.650 4.400
278 HG2 LYS 39 1HG LYS 39 8.331 13.663 5.076
279 HG3 LYS 39 2HG LYS 39 8.552 11.915 4.971
280 HD2 LYS 39 1HD LYS 39 7.664 12.046 7.067
281 HD3 LYS 39 2HD LYS 39 9.370 12.247 7.473
282 HE2 LYS 39 1HE LYS 39 8.305 13.956 8.653
283 HE3 LYS 39 2HE LYS 39 8.932 14.760 7.215
284 HZ1 LYS 39 3HZ LYS 39 6.295 14.661 8.111
285 HZ2 LYS 39 1HZ LYS 39 6.357 13.788 6.663
286 HZ3 LYS 39 2HZ LYS 39 6.889 15.393 6.706
287 HA PRO 40 HA PRO 40 12.516 9.345 8.216
288 HB2 PRO 40 1HB PRO 40 14.436 10.764 9.508
289 HB3 PRO 40 2HB PRO 40 14.768 9.780 8.077
290 HG2 PRO 40 1HG PRO 40 14.342 12.736 8.287
291 HG3 PRO 40 2HG PRO 40 15.547 11.843 7.341
292 HD2 PRO 40 1HD PRO 40 13.288 12.853 6.242
293 HD3 PRO 40 2HD PRO 40 14.050 11.361 5.656
294 H SER 41 H SER 41 10.429 9.738 9.120
295 HA SER 41 HA SER 41 10.471 10.949 11.665
296 HB2 SER 41 1HB SER 41 10.245 12.915 9.896
297 HB3 SER 41 2HB SER 41 8.551 12.425 9.916
298 HG SER 41 HG SER 41 8.523 12.786 12.145
299 H GLY 42 H GLY 42 8.965 9.992 12.893
300 HA2 GLY 42 1HA GLY 42 6.862 9.094 13.420
301 HA3 GLY 42 2HA GLY 42 6.456 9.098 11.710
302 HA PRO 43 HA PRO 43 7.650 4.787 13.258
303 HB2 PRO 43 1HB PRO 43 5.196 3.649 13.032
304 HB3 PRO 43 2HB PRO 43 5.757 4.436 14.512
305 HG2 PRO 43 1HG PRO 43 3.973 5.504 12.358
306 HG3 PRO 43 2HG PRO 43 3.815 5.652 14.118
307 HD2 PRO 43 1HD PRO 43 4.795 7.646 12.571
308 HD3 PRO 43 2HD PRO 43 5.343 7.373 14.238
309 H SER 44 H SER 44 8.531 3.608 11.689
310 HA SER 44 HA SER 44 7.019 2.971 9.294
311 HB2 SER 44 1HB SER 44 8.765 3.728 7.756
312 HB3 SER 44 2HB SER 44 8.165 5.083 8.711
313 HG SER 44 HG SER 44 10.589 3.656 9.034
314 H SER 45 H SER 45 7.144 0.828 9.307
315 HA SER 45 HA SER 45 9.690 -0.480 9.088
316 HB2 SER 45 1HB SER 45 9.135 -0.127 11.631
317 HB3 SER 45 2HB SER 45 8.030 -1.478 11.376
318 HG SER 45 HG SER 45 10.138 -2.135 12.056
319 H GLY 46 H GLY 46 9.445 -2.837 8.730
320 HA2 GLY 46 1HA GLY 46 6.810 -3.408 7.520
321 HA3 GLY 46 2HA GLY 46 8.335 -4.001 6.879
Start of MODEL 8
1 H1 GLY 1 H GLY 1 1.796 -6.142 -18.501
2 HA2 GLY 1 1HA GLY 1 3.227 -7.919 -17.979
3 HA3 GLY 1 2HA GLY 1 4.603 -6.854 -18.225
4 H SER 2 H SER 2 3.456 -8.707 -15.980
5 HA SER 2 HA SER 2 3.914 -6.780 -13.796
6 HB2 SER 2 1HB SER 2 1.591 -7.678 -13.858
7 HB3 SER 2 2HB SER 2 2.246 -9.304 -13.667
8 HG SER 2 HG SER 2 1.585 -7.733 -11.749
9 H SER 3 H SER 3 5.451 -7.247 -12.322
10 HA SER 3 HA SER 3 6.681 -9.916 -12.391
11 HB2 SER 3 1HB SER 3 8.187 -7.289 -12.352
12 HB3 SER 3 2HB SER 3 8.916 -8.891 -12.236
13 HG SER 3 HG SER 3 9.040 -8.480 -14.348
14 H GLY 4 H GLY 4 4.794 -9.094 -10.524
15 HA2 GLY 4 1HA GLY 4 6.263 -8.265 -8.140
16 HA3 GLY 4 2HA GLY 4 4.522 -8.465 -8.273
17 H SER 5 H SER 5 4.396 -11.054 -9.288
18 HA SER 5 HA SER 5 4.079 -13.131 -8.358
19 HB2 SER 5 1HB SER 5 6.258 -13.344 -9.476
20 HB3 SER 5 2HB SER 5 7.070 -12.811 -8.004
21 HG SER 5 HG SER 5 7.137 -14.945 -7.787
22 H SER 6 H SER 6 3.450 -11.172 -6.496
23 HA SER 6 HA SER 6 4.765 -11.529 -4.009
24 HB2 SER 6 1HB SER 6 1.966 -10.524 -4.579
25 HB3 SER 6 2HB SER 6 2.826 -10.348 -3.049
26 HG SER 6 HG SER 6 3.045 -8.471 -4.284
27 H GLY 7 H GLY 7 1.623 -12.730 -5.201
28 HA2 GLY 7 1HA GLY 7 1.434 -15.245 -4.733
29 HA3 GLY 7 2HA GLY 7 1.688 -14.758 -3.064
30 H SER 8 H SER 8 0.136 -12.512 -2.865
31 HA SER 8 HA SER 8 -2.515 -13.691 -2.885
32 HB2 SER 8 1HB SER 8 -3.161 -11.777 -1.510
33 HB3 SER 8 2HB SER 8 -1.686 -12.506 -0.875
34 HG SER 8 HG SER 8 -1.933 -10.139 -2.414
35 H GLY 9 H GLY 9 -4.395 -12.322 -3.541
36 HA2 GLY 9 1HA GLY 9 -4.080 -10.174 -5.361
37 HA3 GLY 9 2HA GLY 9 -4.280 -11.679 -6.246
38 H GLU 10 H GLU 10 -5.766 -9.993 -3.475
39 HA GLU 10 HA GLU 10 -8.392 -10.576 -4.666
40 HB2 GLU 10 1HB GLU 10 -7.663 -11.993 -2.595
41 HB3 GLU 10 2HB GLU 10 -8.028 -10.530 -1.692
42 HG2 GLU 10 1HG GLU 10 -10.308 -10.556 -2.616
43 HG3 GLU 10 2HG GLU 10 -9.932 -12.065 -3.445
44 H LYS 11 H LYS 11 -6.562 -8.562 -2.399
45 HA LYS 11 HA LYS 11 -8.422 -6.627 -1.804
46 HB2 LYS 11 1HB LYS 11 -5.444 -6.541 -2.141
47 HB3 LYS 11 2HB LYS 11 -6.331 -5.057 -1.815
48 HG2 LYS 11 1HG LYS 11 -5.732 -5.721 0.299
49 HG3 LYS 11 2HG LYS 11 -7.349 -6.416 0.155
50 HD2 LYS 11 1HD LYS 11 -6.415 -8.577 -0.385
51 HD3 LYS 11 2HD LYS 11 -4.783 -7.905 -0.402
52 HE2 LYS 11 1HE LYS 11 -5.267 -7.219 2.028
53 HE3 LYS 11 2HE LYS 11 -6.615 -8.351 1.933
54 HZ1 LYS 11 3HZ LYS 11 -5.243 -10.070 2.144
55 HZ2 LYS 11 1HZ LYS 11 -4.033 -8.966 2.567
56 HZ3 LYS 11 2HZ LYS 11 -4.179 -9.487 0.965
57 HA PRO 12 HA PRO 12 -9.369 -4.675 -5.646
58 HB2 PRO 12 1HB PRO 12 -10.456 -2.391 -4.659
59 HB3 PRO 12 2HB PRO 12 -11.292 -3.948 -4.621
60 HG2 PRO 12 1HG PRO 12 -9.767 -2.562 -2.449
61 HG3 PRO 12 2HG PRO 12 -11.317 -3.417 -2.357
62 HD2 PRO 12 1HD PRO 12 -8.984 -4.543 -1.568
63 HD3 PRO 12 2HD PRO 12 -10.313 -5.490 -2.268
64 H PHE 13 H PHE 13 -7.809 -2.700 -3.129
65 HA PHE 13 HA PHE 13 -6.591 -1.015 -5.174
66 HB2 PHE 13 1HB PHE 13 -6.366 -0.800 -2.166
67 HB3 PHE 13 2HB PHE 13 -5.898 0.418 -3.348
68 HD1 PHE 13 HD1 PHE 13 -7.650 1.585 -4.668
69 HD2 PHE 13 HD2 PHE 13 -8.597 -1.000 -1.422
70 HE1 PHE 13 HE1 PHE 13 -9.900 2.573 -4.542
71 HE2 PHE 13 HE2 PHE 13 -10.849 -0.018 -1.292
72 HZ PHE 13 HZ PHE 13 -11.503 1.770 -2.853
73 H LYS 14 H LYS 14 -4.512 -1.124 -5.774
74 HA LYS 14 HA LYS 14 -2.617 -2.634 -4.132
75 HB2 LYS 14 1HB LYS 14 -3.377 -4.296 -5.682
76 HB3 LYS 14 2HB LYS 14 -3.234 -3.182 -7.036
77 HG2 LYS 14 1HG LYS 14 -1.338 -4.392 -7.341
78 HG3 LYS 14 2HG LYS 14 -0.706 -3.137 -6.273
79 HD2 LYS 14 1HD LYS 14 -0.619 -4.553 -4.446
80 HD3 LYS 14 2HD LYS 14 -1.838 -5.645 -5.106
81 HE2 LYS 14 1HE LYS 14 0.841 -5.312 -6.414
82 HE3 LYS 14 2HE LYS 14 0.610 -6.428 -5.070
83 HZ1 LYS 14 3HZ LYS 14 0.342 -7.273 -7.478
84 HZ2 LYS 14 1HZ LYS 14 -1.184 -6.546 -7.401
85 HZ3 LYS 14 2HZ LYS 14 -0.773 -7.768 -6.307
86 H CYS 15 H CYS 15 -0.596 -1.804 -4.123
87 HA CYS 15 HA CYS 15 -0.189 0.723 -5.472
88 HB2 CYS 15 1HB CYS 15 0.487 0.155 -3.055
89 HB3 CYS 15 2HB CYS 15 1.842 -0.711 -3.771
90 H LYS 16 H LYS 16 0.406 0.668 -7.540
91 HA LYS 16 HA LYS 16 1.756 -1.496 -8.767
92 HB2 LYS 16 1HB LYS 16 1.867 -0.092 -10.732
93 HB3 LYS 16 2HB LYS 16 0.290 0.097 -9.977
94 HG2 LYS 16 1HG LYS 16 1.478 2.132 -8.798
95 HG3 LYS 16 2HG LYS 16 2.530 2.033 -10.212
96 HD2 LYS 16 1HD LYS 16 -0.450 2.037 -10.522
97 HD3 LYS 16 2HD LYS 16 0.433 3.550 -10.306
98 HE2 LYS 16 1HE LYS 16 1.816 3.013 -12.254
99 HE3 LYS 16 2HE LYS 16 0.932 1.503 -12.466
100 HZ1 LYS 16 3HZ LYS 16 0.084 3.174 -13.955
101 HZ2 LYS 16 1HZ LYS 16 -0.199 4.241 -12.673
102 HZ3 LYS 16 2HZ LYS 16 -1.096 2.813 -12.798
103 H GLU 17 H GLU 17 2.872 1.012 -6.801
104 HA GLU 17 HA GLU 17 5.490 1.267 -7.966
105 HB2 GLU 17 1HB GLU 17 4.336 2.190 -5.333
106 HB3 GLU 17 2HB GLU 17 5.988 2.517 -5.835
107 HG2 GLU 17 1HG GLU 17 4.747 3.461 -7.979
108 HG3 GLU 17 2HG GLU 17 3.443 3.669 -6.812
109 H CYS 18 H CYS 18 4.444 0.112 -4.755
110 HA CYS 18 HA CYS 18 6.840 -1.561 -4.629
111 HB2 CYS 18 1HB CYS 18 6.292 -1.817 -2.246
112 HB3 CYS 18 2HB CYS 18 6.390 -0.120 -2.703
113 H GLY 19 H GLY 19 3.312 -1.806 -4.312
114 HA2 GLY 19 1HA GLY 19 2.271 -3.727 -5.452
115 HA3 GLY 19 2HA GLY 19 3.583 -4.706 -4.814
116 H LYS 20 H LYS 20 2.235 -2.279 -2.771
117 HA LYS 20 HA LYS 20 1.423 -4.236 -0.849
118 HB2 LYS 20 1HB LYS 20 2.373 -2.030 -0.227
119 HB3 LYS 20 2HB LYS 20 0.930 -1.252 -0.863
120 HG2 LYS 20 1HG LYS 20 -0.423 -2.100 0.842
121 HG3 LYS 20 2HG LYS 20 0.767 -3.321 1.299
122 HD2 LYS 20 1HD LYS 20 2.277 -1.507 2.050
123 HD3 LYS 20 2HD LYS 20 1.009 -0.336 1.678
124 HE2 LYS 20 1HE LYS 20 0.928 -0.795 4.023
125 HE3 LYS 20 2HE LYS 20 -0.477 -1.551 3.272
126 HZ1 LYS 20 3HZ LYS 20 0.173 -3.379 4.338
127 HZ2 LYS 20 1HZ LYS 20 1.708 -2.757 4.685
128 HZ3 LYS 20 2HZ LYS 20 1.414 -3.498 3.194
129 H ALA 21 H ALA 21 -0.693 -4.526 0.012
130 HA ALA 21 HA ALA 21 -2.835 -3.899 -1.915
131 HB1 ALA 21 3HB ALA 21 -2.576 -6.223 -1.997
132 HB2 ALA 21 1HB ALA 21 -2.354 -6.350 -0.251
133 HB3 ALA 21 2HB ALA 21 -3.945 -5.974 -0.914
134 H PHE 22 H PHE 22 -4.805 -3.190 -1.145
135 HA PHE 22 HA PHE 22 -5.027 -2.732 1.749
136 HB2 PHE 22 1HB PHE 22 -5.959 -0.645 -0.197
137 HB3 PHE 22 2HB PHE 22 -5.582 -0.474 1.514
138 HD1 PHE 22 HD1 PHE 22 -4.004 -1.160 -1.779
139 HD2 PHE 22 HD2 PHE 22 -3.514 0.335 2.176
140 HE1 PHE 22 HE1 PHE 22 -1.748 -0.369 -2.361
141 HE2 PHE 22 HE2 PHE 22 -1.258 1.130 1.600
142 HZ PHE 22 HZ PHE 22 -0.372 0.779 -0.671
143 H ARG 23 H ARG 23 -7.392 -1.698 2.088
144 HA ARG 23 HA ARG 23 -9.264 -3.418 0.597
145 HB2 ARG 23 1HB ARG 23 -9.195 -2.751 3.538
146 HB3 ARG 23 2HB ARG 23 -10.615 -3.425 2.750
147 HG2 ARG 23 1HG ARG 23 -9.665 -5.339 3.517
148 HG3 ARG 23 2HG ARG 23 -8.873 -5.237 1.943
149 HD2 ARG 23 1HD ARG 23 -6.891 -4.349 2.903
150 HD3 ARG 23 2HD ARG 23 -7.684 -4.085 4.456
151 HE ARG 23 HE ARG 23 -6.604 -6.569 3.447
152 HH11 ARG 23 1HH1 ARG 23 -8.716 -5.041 5.755
153 HH12 ARG 23 2HH1 ARG 23 -8.681 -6.371 6.864
154 HH21 ARG 23 1HH2 ARG 23 -6.550 -8.327 4.900
155 HH22 ARG 23 2HH2 ARG 23 -7.448 -8.240 6.377
156 H GLN 24 H GLN 24 -8.591 -0.300 1.965
157 HA GLN 24 HA GLN 24 -11.116 0.711 0.830
158 HB2 GLN 24 1HB GLN 24 -9.590 1.912 3.144
159 HB3 GLN 24 2HB GLN 24 -11.151 2.433 2.526
160 HG2 GLN 24 1HG GLN 24 -11.799 -0.067 3.096
161 HG3 GLN 24 2HG GLN 24 -10.460 0.110 4.229
162 HE21 GLN 24 1HE2 GLN 24 -12.815 -0.359 5.318
163 HE22 GLN 24 2HE2 GLN 24 -13.485 1.061 6.038
164 H ASN 25 H ASN 25 -11.058 2.638 -0.326
165 HA ASN 25 HA ASN 25 -8.767 3.129 -1.854
166 HB2 ASN 25 1HB ASN 25 -11.081 3.704 -2.552
167 HB3 ASN 25 2HB ASN 25 -11.088 5.011 -1.372
168 HD21 ASN 25 1HD2 ASN 25 -11.576 5.557 -3.978
169 HD22 ASN 25 2HD2 ASN 25 -10.248 6.421 -4.666
170 H ILE 26 H ILE 26 -9.883 4.527 1.147
171 HA ILE 26 HA ILE 26 -8.184 6.794 1.158
172 HB ILE 26 HB ILE 26 -10.050 6.815 2.635
173 HG12 ILE 26 1HG1 ILE 26 -7.710 6.376 4.482
174 HG13 ILE 26 2HG1 ILE 26 -7.793 7.771 3.412
175 HG21 ILE 26 1HG2 ILE 26 -10.708 4.727 3.211
176 HG22 ILE 26 2HG2 ILE 26 -9.057 4.137 3.391
177 HG23 ILE 26 3HG2 ILE 26 -9.795 5.098 4.673
178 HD11 ILE 26 3HD1 ILE 26 -9.720 7.056 5.606
179 HD12 ILE 26 1HD1 ILE 26 -8.575 8.396 5.583
180 HD13 ILE 26 2HD1 ILE 26 -9.944 8.386 4.471
181 H HIS 27 H HIS 27 -7.715 3.449 1.977
182 HA HIS 27 HA HIS 27 -5.357 3.794 3.538
183 HB2 HIS 27 1HB HIS 27 -6.538 1.418 2.102
184 HB3 HIS 27 2HB HIS 27 -5.037 1.320 3.018
185 HD1 HIS 27 HD1 HIS 27 -7.145 -0.455 4.037
186 HD2 HIS 27 HD2 HIS 27 -6.924 3.527 5.200
187 HE1 HIS 27 HE1 HIS 27 -8.387 -0.322 6.220
188 H LEU 28 H LEU 28 -5.931 2.916 0.143
189 HA LEU 28 HA LEU 28 -3.196 2.680 -0.547
190 HB2 LEU 28 1HB LEU 28 -4.793 1.625 -1.939
191 HB3 LEU 28 2HB LEU 28 -5.689 3.125 -2.168
192 HG LEU 28 HG LEU 28 -3.580 3.962 -3.377
193 HD11 LEU 28 1HD1 LEU 28 -3.073 0.992 -3.386
194 HD12 LEU 28 2HD1 LEU 28 -2.043 2.242 -2.689
195 HD13 LEU 28 3HD1 LEU 28 -2.266 2.157 -4.436
196 HD21 LEU 28 3HD2 LEU 28 -5.105 1.721 -4.687
197 HD22 LEU 28 1HD2 LEU 28 -4.375 3.129 -5.459
198 HD23 LEU 28 2HD2 LEU 28 -5.777 3.328 -4.408
199 H ALA 29 H ALA 29 -5.540 5.320 -0.956
200 HA ALA 29 HA ALA 29 -3.828 7.124 -2.245
201 HB1 ALA 29 3HB ALA 29 -5.432 8.810 -1.735
202 HB2 ALA 29 1HB ALA 29 -6.317 7.317 -2.049
203 HB3 ALA 29 2HB ALA 29 -6.080 7.870 -0.391
204 H SER 30 H SER 30 -4.361 6.454 1.171
205 HA SER 30 HA SER 30 -2.752 8.648 2.083
206 HB2 SER 30 1HB SER 30 -4.652 7.463 3.358
207 HB3 SER 30 2HB SER 30 -3.456 6.219 3.722
208 HG SER 30 HG SER 30 -3.712 8.017 5.282
209 H HIS 31 H HIS 31 -2.109 5.536 0.882
210 HA HIS 31 HA HIS 31 0.449 5.283 2.251
211 HB2 HIS 31 1HB HIS 31 -0.686 3.215 2.023
212 HB3 HIS 31 2HB HIS 31 -1.059 3.518 0.328
213 HD1 HIS 31 HD1 HIS 31 1.871 2.668 2.560
214 HD2 HIS 31 HD2 HIS 31 0.803 2.590 -1.454
215 HE1 HIS 31 HE1 HIS 31 3.727 1.434 1.395
216 H LEU 32 H LEU 32 -0.725 5.480 -1.107
217 HA LEU 32 HA LEU 32 1.612 5.526 -2.496
218 HB2 LEU 32 1HB LEU 32 -0.796 7.281 -2.943
219 HB3 LEU 32 2HB LEU 32 0.489 7.024 -4.120
220 HG LEU 32 HG LEU 32 -1.143 4.742 -3.047
221 HD11 LEU 32 1HD1 LEU 32 -2.368 5.041 -5.308
222 HD12 LEU 32 2HD1 LEU 32 -1.836 6.717 -5.182
223 HD13 LEU 32 3HD1 LEU 32 -2.858 6.020 -3.925
224 HD21 LEU 32 3HD2 LEU 32 0.944 5.131 -5.051
225 HD22 LEU 32 1HD2 LEU 32 -0.459 4.247 -5.653
226 HD23 LEU 32 2HD2 LEU 32 0.412 3.660 -4.236
227 H ARG 33 H ARG 33 0.413 7.968 -0.347
228 HA ARG 33 HA ARG 33 1.832 10.204 -1.196
229 HB2 ARG 33 1HB ARG 33 1.533 9.643 1.728
230 HB3 ARG 33 2HB ARG 33 1.324 11.156 0.856
231 HG2 ARG 33 1HG ARG 33 -0.686 9.799 -0.229
232 HG3 ARG 33 2HG ARG 33 -0.587 8.944 1.311
233 HD2 ARG 33 1HD ARG 33 -0.830 11.030 2.519
234 HD3 ARG 33 2HD ARG 33 -0.823 11.935 1.006
235 HE ARG 33 HE ARG 33 -3.045 10.607 2.189
236 HH11 ARG 33 1HH1 ARG 33 -1.610 11.456 -0.867
237 HH12 ARG 33 2HH1 ARG 33 -3.116 11.455 -1.723
238 HH21 ARG 33 1HH2 ARG 33 -5.034 10.603 1.074
239 HH22 ARG 33 2HH2 ARG 33 -5.064 10.971 -0.617
240 H ILE 34 H ILE 34 2.849 7.522 0.869
241 HA ILE 34 HA ILE 34 5.368 8.595 1.578
242 HB ILE 34 HB ILE 34 5.926 6.455 2.421
243 HG12 ILE 34 1HG1 ILE 34 4.130 4.561 1.783
244 HG13 ILE 34 2HG1 ILE 34 4.073 5.509 0.301
245 HG21 ILE 34 1HG2 ILE 34 3.531 5.732 3.353
246 HG22 ILE 34 2HG2 ILE 34 4.392 7.156 3.933
247 HG23 ILE 34 3HG2 ILE 34 3.117 7.328 2.727
248 HD11 ILE 34 3HD1 ILE 34 6.714 4.692 1.403
249 HD12 ILE 34 1HD1 ILE 34 5.727 3.513 0.540
250 HD13 ILE 34 2HD1 ILE 34 6.233 4.999 -0.266
251 H HIS 35 H HIS 35 4.201 7.418 -1.358
252 HA HIS 35 HA HIS 35 6.879 6.695 -2.318
253 HB2 HIS 35 1HB HIS 35 4.119 6.218 -3.439
254 HB3 HIS 35 2HB HIS 35 5.582 5.930 -4.375
255 HD1 HIS 35 HD1 HIS 35 7.367 4.312 -2.838
256 HD2 HIS 35 HD2 HIS 35 3.265 3.939 -2.293
257 HE1 HIS 35 HE1 HIS 35 7.031 2.048 -1.795
258 H THR 36 H THR 36 4.380 9.082 -2.599
259 HA THR 36 HA THR 36 5.582 10.310 -4.946
260 HB THR 36 HB THR 36 3.733 12.099 -4.339
261 HG1 THR 36 HG1 THR 36 3.111 11.197 -2.362
262 HG21 THR 36 3HG2 THR 36 3.038 9.365 -5.421
263 HG22 THR 36 1HG2 THR 36 3.764 10.677 -6.348
264 HG23 THR 36 2HG2 THR 36 2.135 10.854 -5.697
265 H GLY 37 H GLY 37 7.363 10.242 -2.837
266 HA2 GLY 37 1HA GLY 37 8.047 12.998 -2.607
267 HA3 GLY 37 2HA GLY 37 7.427 12.378 -1.083
268 H GLU 38 H GLU 38 9.255 10.437 -3.358
269 HA GLU 38 HA GLU 38 11.356 10.169 -1.326
270 HB2 GLU 38 1HB GLU 38 11.840 8.044 -2.198
271 HB3 GLU 38 2HB GLU 38 10.086 8.147 -2.253
272 HG2 GLU 38 1HG GLU 38 10.580 7.250 -4.307
273 HG3 GLU 38 2HG GLU 38 10.456 8.969 -4.679
274 H LYS 39 H LYS 39 10.859 12.141 -3.751
275 HA LYS 39 HA LYS 39 13.522 11.878 -4.963
276 HB2 LYS 39 1HB LYS 39 12.739 13.201 -6.774
277 HB3 LYS 39 2HB LYS 39 11.470 12.032 -6.432
278 HG2 LYS 39 1HG LYS 39 10.457 13.912 -4.977
279 HG3 LYS 39 2HG LYS 39 11.518 14.973 -5.906
280 HD2 LYS 39 1HD LYS 39 10.366 14.646 -7.854
281 HD3 LYS 39 2HD LYS 39 9.844 13.022 -7.399
282 HE2 LYS 39 1HE LYS 39 8.226 13.945 -5.851
283 HE3 LYS 39 2HE LYS 39 8.794 15.579 -6.190
284 HZ1 LYS 39 3HZ LYS 39 7.488 13.748 -8.130
285 HZ2 LYS 39 1HZ LYS 39 8.074 15.294 -8.492
286 HZ3 LYS 39 2HZ LYS 39 6.784 15.110 -7.414
287 HA PRO 40 HA PRO 40 15.064 15.326 -2.712
288 HB2 PRO 40 1HB PRO 40 16.963 16.196 -4.446
289 HB3 PRO 40 2HB PRO 40 17.141 14.722 -3.486
290 HG2 PRO 40 1HG PRO 40 16.310 15.032 -6.345
291 HG3 PRO 40 2HG PRO 40 17.417 13.850 -5.624
292 HD2 PRO 40 1HD PRO 40 14.849 13.253 -6.241
293 HD3 PRO 40 2HD PRO 40 15.699 12.513 -4.869
294 H SER 41 H SER 41 13.823 15.706 -5.944
295 HA SER 41 HA SER 41 12.584 18.179 -5.344
296 HB2 SER 41 1HB SER 41 15.125 18.253 -6.960
297 HB3 SER 41 2HB SER 41 13.872 19.477 -7.161
298 HG SER 41 HG SER 41 14.206 20.177 -5.127
299 H GLY 42 H GLY 42 11.478 19.112 -7.278
300 HA2 GLY 42 1HA GLY 42 11.318 17.527 -9.666
301 HA3 GLY 42 2HA GLY 42 9.935 17.290 -8.609
302 HA PRO 43 HA PRO 43 8.949 20.827 -11.413
303 HB2 PRO 43 1HB PRO 43 6.398 20.030 -11.888
304 HB3 PRO 43 2HB PRO 43 7.778 19.442 -12.824
305 HG2 PRO 43 1HG PRO 43 6.334 18.133 -10.552
306 HG3 PRO 43 2HG PRO 43 6.908 17.421 -12.072
307 HD2 PRO 43 1HD PRO 43 8.253 17.152 -9.737
308 HD3 PRO 43 2HD PRO 43 9.074 17.229 -11.310
309 H SER 44 H SER 44 8.079 22.694 -10.716
310 HA SER 44 HA SER 44 7.428 23.264 -8.156
311 HB2 SER 44 1HB SER 44 6.547 25.320 -8.892
312 HB3 SER 44 2HB SER 44 7.660 24.853 -10.177
313 HG SER 44 HG SER 44 5.482 23.781 -10.938
314 H SER 45 H SER 45 5.884 22.698 -6.784
315 HA SER 45 HA SER 45 3.535 21.300 -7.762
316 HB2 SER 45 1HB SER 45 4.900 20.499 -5.791
317 HB3 SER 45 2HB SER 45 4.276 21.880 -4.889
318 HG SER 45 HG SER 45 2.871 20.284 -4.440
319 H GLY 46 H GLY 46 1.422 21.787 -6.539
320 HA2 GLY 46 1HA GLY 46 0.422 24.233 -7.314
321 HA3 GLY 46 2HA GLY 46 -0.288 23.243 -6.048
Start of MODEL 9
1 H1 GLY 1 H GLY 1 16.561 -4.419 7.068
2 HA2 GLY 1 1HA GLY 1 17.355 -5.264 4.644
3 HA3 GLY 1 2HA GLY 1 18.395 -6.204 5.703
4 H SER 2 H SER 2 15.082 -5.600 4.726
5 HA SER 2 HA SER 2 13.985 -7.680 6.377
6 HB2 SER 2 1HB SER 2 12.597 -5.771 5.769
7 HB3 SER 2 2HB SER 2 12.791 -6.143 4.056
8 HG SER 2 HG SER 2 11.715 -8.042 5.840
9 H SER 3 H SER 3 13.027 -9.633 5.626
10 HA SER 3 HA SER 3 13.734 -10.549 2.954
11 HB2 SER 3 1HB SER 3 15.666 -11.094 4.491
12 HB3 SER 3 2HB SER 3 14.568 -12.151 5.378
13 HG SER 3 HG SER 3 15.595 -13.407 3.876
14 H GLY 4 H GLY 4 12.915 -12.909 2.685
15 HA2 GLY 4 1HA GLY 4 11.275 -14.528 3.583
16 HA3 GLY 4 2HA GLY 4 10.325 -13.139 4.092
17 H SER 5 H SER 5 8.989 -14.917 2.674
18 HA SER 5 HA SER 5 8.601 -13.563 0.107
19 HB2 SER 5 1HB SER 5 9.094 -16.506 0.501
20 HB3 SER 5 2HB SER 5 8.167 -15.917 -0.879
21 HG SER 5 HG SER 5 10.847 -15.880 -0.458
22 H SER 6 H SER 6 6.593 -12.821 0.177
23 HA SER 6 HA SER 6 4.535 -14.408 1.551
24 HB2 SER 6 1HB SER 6 4.793 -11.462 0.982
25 HB3 SER 6 2HB SER 6 3.238 -12.180 1.403
26 HG SER 6 HG SER 6 3.923 -11.874 3.371
27 H GLY 7 H GLY 7 2.394 -14.501 0.596
28 HA2 GLY 7 1HA GLY 7 2.447 -15.288 -2.108
29 HA3 GLY 7 2HA GLY 7 0.998 -15.036 -1.146
30 H SER 8 H SER 8 -0.339 -13.570 -1.937
31 HA SER 8 HA SER 8 0.793 -11.244 -3.342
32 HB2 SER 8 1HB SER 8 -1.621 -12.871 -4.175
33 HB3 SER 8 2HB SER 8 -1.137 -11.344 -4.912
34 HG SER 8 HG SER 8 -0.371 -13.624 -5.714
35 H GLY 9 H GLY 9 -2.056 -12.582 -1.697
36 HA2 GLY 9 1HA GLY 9 -3.071 -11.429 0.145
37 HA3 GLY 9 2HA GLY 9 -2.533 -9.911 -0.558
38 H GLU 10 H GLU 10 -5.226 -10.958 0.297
39 HA GLU 10 HA GLU 10 -6.662 -10.811 -2.256
40 HB2 GLU 10 1HB GLU 10 -7.410 -11.785 0.485
41 HB3 GLU 10 2HB GLU 10 -8.652 -11.382 -0.692
42 HG2 GLU 10 1HG GLU 10 -6.438 -13.317 -1.287
43 HG3 GLU 10 2HG GLU 10 -7.958 -13.808 -0.543
44 H LYS 11 H LYS 11 -6.351 -8.557 -2.559
45 HA LYS 11 HA LYS 11 -8.299 -6.953 -1.100
46 HB2 LYS 11 1HB LYS 11 -5.357 -6.518 -1.070
47 HB3 LYS 11 2HB LYS 11 -6.380 -5.095 -1.217
48 HG2 LYS 11 1HG LYS 11 -6.204 -5.196 1.042
49 HG3 LYS 11 2HG LYS 11 -7.625 -6.220 0.824
50 HD2 LYS 11 1HD LYS 11 -5.801 -8.114 0.615
51 HD3 LYS 11 2HD LYS 11 -4.831 -6.964 1.539
52 HE2 LYS 11 1HE LYS 11 -7.001 -6.854 3.029
53 HE3 LYS 11 2HE LYS 11 -7.296 -8.442 2.322
54 HZ1 LYS 11 3HZ LYS 11 -4.619 -8.002 3.351
55 HZ2 LYS 11 1HZ LYS 11 -5.619 -9.362 3.475
56 HZ3 LYS 11 2HZ LYS 11 -5.844 -8.048 4.517
57 HA PRO 12 HA PRO 12 -9.147 -5.478 -5.162
58 HB2 PRO 12 1HB PRO 12 -10.479 -3.203 -4.516
59 HB3 PRO 12 2HB PRO 12 -11.184 -4.814 -4.332
60 HG2 PRO 12 1HG PRO 12 -9.915 -3.054 -2.269
61 HG3 PRO 12 2HG PRO 12 -11.392 -4.029 -2.153
62 HD2 PRO 12 1HD PRO 12 -9.026 -4.839 -1.116
63 HD3 PRO 12 2HD PRO 12 -10.225 -5.978 -1.762
64 H PHE 13 H PHE 13 -7.964 -3.050 -2.838
65 HA PHE 13 HA PHE 13 -6.864 -1.412 -4.944
66 HB2 PHE 13 1HB PHE 13 -6.751 -1.220 -1.932
67 HB3 PHE 13 2HB PHE 13 -5.971 -0.061 -3.004
68 HD1 PHE 13 HD1 PHE 13 -7.424 1.210 -4.648
69 HD2 PHE 13 HD2 PHE 13 -9.004 -1.007 -1.376
70 HE1 PHE 13 HE1 PHE 13 -9.525 2.482 -4.804
71 HE2 PHE 13 HE2 PHE 13 -11.107 0.260 -1.528
72 HZ PHE 13 HZ PHE 13 -11.370 2.006 -3.244
73 H LYS 14 H LYS 14 -4.847 -1.448 -5.711
74 HA LYS 14 HA LYS 14 -2.774 -2.869 -4.190
75 HB2 LYS 14 1HB LYS 14 -3.399 -4.497 -5.782
76 HB3 LYS 14 2HB LYS 14 -3.563 -3.302 -7.062
77 HG2 LYS 14 1HG LYS 14 -1.590 -4.447 -7.558
78 HG3 LYS 14 2HG LYS 14 -1.056 -2.935 -6.821
79 HD2 LYS 14 1HD LYS 14 0.255 -4.410 -5.667
80 HD3 LYS 14 2HD LYS 14 -1.162 -4.392 -4.615
81 HE2 LYS 14 1HE LYS 14 -0.586 -6.666 -4.914
82 HE3 LYS 14 2HE LYS 14 -2.005 -6.380 -5.919
83 HZ1 LYS 14 3HZ LYS 14 -0.513 -6.127 -7.833
84 HZ2 LYS 14 1HZ LYS 14 -0.390 -7.660 -7.129
85 HZ3 LYS 14 2HZ LYS 14 0.811 -6.503 -6.850
86 H CYS 15 H CYS 15 -0.787 -1.947 -4.226
87 HA CYS 15 HA CYS 15 -0.583 0.713 -5.319
88 HB2 CYS 15 1HB CYS 15 0.324 0.046 -3.071
89 HB3 CYS 15 2HB CYS 15 1.555 -0.892 -3.911
90 H LYS 16 H LYS 16 0.525 1.362 -7.075
91 HA LYS 16 HA LYS 16 1.689 -0.724 -8.766
92 HB2 LYS 16 1HB LYS 16 0.869 2.121 -9.373
93 HB3 LYS 16 2HB LYS 16 1.603 1.033 -10.543
94 HG2 LYS 16 1HG LYS 16 -0.877 0.200 -9.111
95 HG3 LYS 16 2HG LYS 16 -0.978 1.326 -10.466
96 HD2 LYS 16 1HD LYS 16 0.632 -1.151 -10.814
97 HD3 LYS 16 2HD LYS 16 -1.128 -1.294 -10.817
98 HE2 LYS 16 1HE LYS 16 -0.729 -0.939 -13.047
99 HE3 LYS 16 2HE LYS 16 -0.970 0.717 -12.495
100 HZ1 LYS 16 3HZ LYS 16 1.747 -0.384 -12.470
101 HZ2 LYS 16 1HZ LYS 16 1.233 1.210 -12.711
102 HZ3 LYS 16 2HZ LYS 16 1.081 0.075 -13.956
103 H GLU 17 H GLU 17 2.905 0.854 -6.376
104 HA GLU 17 HA GLU 17 5.317 1.809 -7.764
105 HB2 GLU 17 1HB GLU 17 4.192 2.445 -5.039
106 HB3 GLU 17 2HB GLU 17 5.823 2.890 -5.521
107 HG2 GLU 17 1HG GLU 17 3.261 3.799 -6.811
108 HG3 GLU 17 2HG GLU 17 4.334 4.763 -5.797
109 H CYS 18 H CYS 18 4.262 -0.061 -4.931
110 HA CYS 18 HA CYS 18 6.823 -1.514 -5.054
111 HB2 CYS 18 1HB CYS 18 6.660 -1.847 -2.626
112 HB3 CYS 18 2HB CYS 18 6.697 -0.135 -3.034
113 H GLY 19 H GLY 19 3.382 -1.734 -4.220
114 HA2 GLY 19 1HA GLY 19 2.318 -3.716 -5.400
115 HA3 GLY 19 2HA GLY 19 3.561 -4.657 -4.590
116 H LYS 20 H LYS 20 2.493 -2.081 -2.695
117 HA LYS 20 HA LYS 20 1.517 -3.672 -0.633
118 HB2 LYS 20 1HB LYS 20 2.195 -1.112 -0.762
119 HB3 LYS 20 2HB LYS 20 0.459 -0.900 -0.951
120 HG2 LYS 20 1HG LYS 20 0.941 -0.663 1.351
121 HG3 LYS 20 2HG LYS 20 0.164 -2.236 1.151
122 HD2 LYS 20 1HD LYS 20 1.937 -2.747 2.544
123 HD3 LYS 20 2HD LYS 20 2.603 -3.118 0.952
124 HE2 LYS 20 1HE LYS 20 3.934 -1.217 0.927
125 HE3 LYS 20 2HE LYS 20 2.950 -0.392 2.136
126 HZ1 LYS 20 3HZ LYS 20 3.997 -1.436 3.835
127 HZ2 LYS 20 1HZ LYS 20 5.267 -1.480 2.719
128 HZ3 LYS 20 2HZ LYS 20 4.301 -2.848 2.955
129 H ALA 21 H ALA 21 -0.695 -3.684 0.272
130 HA ALA 21 HA ALA 21 -2.782 -3.567 -1.796
131 HB1 ALA 21 3HB ALA 21 -3.672 -5.667 -0.414
132 HB2 ALA 21 1HB ALA 21 -2.603 -5.827 -1.807
133 HB3 ALA 21 2HB ALA 21 -1.940 -5.895 -0.174
134 H PHE 22 H PHE 22 -4.914 -3.227 -1.020
135 HA PHE 22 HA PHE 22 -5.351 -2.743 1.792
136 HB2 PHE 22 1HB PHE 22 -5.884 -0.404 -0.009
137 HB3 PHE 22 2HB PHE 22 -5.702 -0.438 1.741
138 HD1 PHE 22 HD1 PHE 22 -3.790 -0.930 -1.407
139 HD2 PHE 22 HD2 PHE 22 -3.681 0.146 2.709
140 HE1 PHE 22 HE1 PHE 22 -1.432 -0.269 -1.646
141 HE2 PHE 22 HE2 PHE 22 -1.324 0.811 2.477
142 HZ PHE 22 HZ PHE 22 -0.196 0.604 0.298
143 H ARG 23 H ARG 23 -7.630 -2.040 2.207
144 HA ARG 23 HA ARG 23 -9.401 -3.333 0.254
145 HB2 ARG 23 1HB ARG 23 -9.187 -3.981 2.803
146 HB3 ARG 23 2HB ARG 23 -10.286 -2.625 3.018
147 HG2 ARG 23 1HG ARG 23 -11.986 -3.659 1.783
148 HG3 ARG 23 2HG ARG 23 -10.876 -4.843 1.090
149 HD2 ARG 23 1HD ARG 23 -10.533 -5.743 3.401
150 HD3 ARG 23 2HD ARG 23 -11.823 -4.671 3.945
151 HE ARG 23 HE ARG 23 -12.850 -6.135 1.834
152 HH11 ARG 23 1HH1 ARG 23 -11.564 -6.759 5.008
153 HH12 ARG 23 2HH1 ARG 23 -12.525 -8.178 5.261
154 HH21 ARG 23 1HH2 ARG 23 -14.121 -8.002 2.155
155 HH22 ARG 23 2HH2 ARG 23 -13.979 -8.885 3.637
156 H GLN 24 H GLN 24 -9.001 -0.411 2.191
157 HA GLN 24 HA GLN 24 -11.340 0.800 0.931
158 HB2 GLN 24 1HB GLN 24 -10.530 0.961 3.469
159 HB3 GLN 24 2HB GLN 24 -9.628 2.327 2.825
160 HG2 GLN 24 1HG GLN 24 -11.989 2.924 1.791
161 HG3 GLN 24 2HG GLN 24 -12.549 1.966 3.161
162 HE21 GLN 24 1HE2 GLN 24 -10.978 2.564 5.176
163 HE22 GLN 24 2HE2 GLN 24 -10.998 4.254 5.538
164 H ASN 25 H ASN 25 -11.160 3.002 0.052
165 HA ASN 25 HA ASN 25 -9.032 3.150 -1.848
166 HB2 ASN 25 1HB ASN 25 -11.318 3.897 -2.384
167 HB3 ASN 25 2HB ASN 25 -11.177 5.180 -1.186
168 HD21 ASN 25 1HD2 ASN 25 -10.936 7.055 -2.143
169 HD22 ASN 25 2HD2 ASN 25 -9.953 7.377 -3.527
170 H ILE 26 H ILE 26 -9.903 4.959 1.064
171 HA ILE 26 HA ILE 26 -7.941 6.954 0.879
172 HB ILE 26 HB ILE 26 -9.861 7.017 2.453
173 HG12 ILE 26 1HG1 ILE 26 -7.306 7.249 4.026
174 HG13 ILE 26 2HG1 ILE 26 -7.653 8.342 2.690
175 HG21 ILE 26 1HG2 ILE 26 -9.401 4.565 3.154
176 HG22 ILE 26 2HG2 ILE 26 -8.296 5.287 4.323
177 HG23 ILE 26 3HG2 ILE 26 -10.009 5.704 4.355
178 HD11 ILE 26 3HD1 ILE 26 -9.536 9.236 3.788
179 HD12 ILE 26 1HD1 ILE 26 -9.530 7.954 4.999
180 HD13 ILE 26 2HD1 ILE 26 -8.247 9.165 4.990
181 H HIS 27 H HIS 27 -7.821 3.672 2.113
182 HA HIS 27 HA HIS 27 -5.377 3.825 3.487
183 HB2 HIS 27 1HB HIS 27 -7.005 1.624 2.305
184 HB3 HIS 27 2HB HIS 27 -5.341 1.269 2.758
185 HD1 HIS 27 HD1 HIS 27 -6.153 -0.300 4.655
186 HD2 HIS 27 HD2 HIS 27 -7.373 3.650 5.064
187 HE1 HIS 27 HE1 HIS 27 -7.002 -0.100 7.014
188 H LEU 28 H LEU 28 -6.069 2.773 0.155
189 HA LEU 28 HA LEU 28 -3.388 2.326 -0.576
190 HB2 LEU 28 1HB LEU 28 -5.097 1.358 -1.898
191 HB3 LEU 28 2HB LEU 28 -5.862 2.920 -2.177
192 HG LEU 28 HG LEU 28 -3.827 3.560 -3.512
193 HD11 LEU 28 1HD1 LEU 28 -3.245 0.608 -3.310
194 HD12 LEU 28 2HD1 LEU 28 -2.295 1.898 -2.573
195 HD13 LEU 28 3HD1 LEU 28 -2.397 1.772 -4.329
196 HD21 LEU 28 3HD2 LEU 28 -4.528 2.304 -5.491
197 HD22 LEU 28 1HD2 LEU 28 -5.916 2.885 -4.571
198 HD23 LEU 28 2HD2 LEU 28 -5.435 1.191 -4.466
199 H ALA 29 H ALA 29 -5.520 5.072 -1.384
200 HA ALA 29 HA ALA 29 -3.624 6.669 -2.631
201 HB1 ALA 29 3HB ALA 29 -5.109 8.572 -2.046
202 HB2 ALA 29 1HB ALA 29 -5.961 7.203 -2.762
203 HB3 ALA 29 2HB ALA 29 -6.041 7.480 -1.021
204 H SER 30 H SER 30 -4.216 6.128 0.769
205 HA SER 30 HA SER 30 -2.650 8.341 1.688
206 HB2 SER 30 1HB SER 30 -4.429 7.374 3.080
207 HB3 SER 30 2HB SER 30 -3.550 5.847 3.153
208 HG SER 30 HG SER 30 -2.054 6.748 4.439
209 H HIS 31 H HIS 31 -2.003 5.066 0.755
210 HA HIS 31 HA HIS 31 0.548 4.873 2.046
211 HB2 HIS 31 1HB HIS 31 -0.537 2.812 1.619
212 HB3 HIS 31 2HB HIS 31 -0.843 3.231 -0.064
213 HD1 HIS 31 HD1 HIS 31 2.094 2.437 2.207
214 HD2 HIS 31 HD2 HIS 31 1.019 2.285 -1.803
215 HE1 HIS 31 HE1 HIS 31 3.995 1.271 1.045
216 H LEU 32 H LEU 32 -0.525 5.448 -1.293
217 HA LEU 32 HA LEU 32 1.909 5.587 -2.568
218 HB2 LEU 32 1HB LEU 32 -0.513 7.317 -3.043
219 HB3 LEU 32 2HB LEU 32 0.827 7.114 -4.169
220 HG LEU 32 HG LEU 32 -0.908 4.825 -3.267
221 HD11 LEU 32 1HD1 LEU 32 -2.535 5.959 -4.360
222 HD12 LEU 32 2HD1 LEU 32 -1.740 5.249 -5.765
223 HD13 LEU 32 3HD1 LEU 32 -1.392 6.915 -5.304
224 HD21 LEU 32 3HD2 LEU 32 0.310 4.728 -5.899
225 HD22 LEU 32 1HD2 LEU 32 0.362 3.554 -4.583
226 HD23 LEU 32 2HD2 LEU 32 1.506 4.896 -4.612
227 H ARG 33 H ARG 33 0.690 7.663 -0.156
228 HA ARG 33 HA ARG 33 1.884 10.102 -0.775
229 HB2 ARG 33 1HB ARG 33 1.610 8.945 2.001
230 HB3 ARG 33 2HB ARG 33 1.681 10.645 1.560
231 HG2 ARG 33 1HG ARG 33 -0.499 9.008 0.393
232 HG3 ARG 33 2HG ARG 33 -0.598 9.425 2.105
233 HD2 ARG 33 1HD ARG 33 -1.691 11.206 1.140
234 HD3 ARG 33 2HD ARG 33 -0.046 11.830 1.256
235 HE ARG 33 HE ARG 33 -0.107 10.719 -1.207
236 HH11 ARG 33 1HH1 ARG 33 -2.163 12.999 0.436
237 HH12 ARG 33 2HH1 ARG 33 -2.630 13.822 -1.015
238 HH21 ARG 33 1HH2 ARG 33 -0.714 11.795 -3.124
239 HH22 ARG 33 2HH2 ARG 33 -1.806 13.136 -3.040
240 H ILE 34 H ILE 34 3.180 7.466 1.247
241 HA ILE 34 HA ILE 34 5.665 8.583 1.788
242 HB ILE 34 HB ILE 34 6.407 6.444 2.434
243 HG12 ILE 34 1HG1 ILE 34 4.892 4.417 1.676
244 HG13 ILE 34 2HG1 ILE 34 4.510 5.485 0.330
245 HG21 ILE 34 1HG2 ILE 34 3.832 5.520 3.084
246 HG22 ILE 34 2HG2 ILE 34 4.925 6.474 4.085
247 HG23 ILE 34 3HG2 ILE 34 3.742 7.281 3.056
248 HD11 ILE 34 3HD1 ILE 34 7.359 5.325 0.855
249 HD12 ILE 34 1HD1 ILE 34 6.638 3.759 0.484
250 HD13 ILE 34 2HD1 ILE 34 6.466 5.101 -0.648
251 H HIS 35 H HIS 35 4.533 6.856 -1.048
252 HA HIS 35 HA HIS 35 7.068 6.451 -2.247
253 HB2 HIS 35 1HB HIS 35 4.238 6.409 -3.230
254 HB3 HIS 35 2HB HIS 35 5.562 6.357 -4.391
255 HD1 HIS 35 HD1 HIS 35 7.303 4.303 -3.990
256 HD2 HIS 35 HD2 HIS 35 3.579 3.995 -2.174
257 HE1 HIS 35 HE1 HIS 35 7.035 1.870 -3.415
258 H THR 36 H THR 36 4.871 9.145 -2.132
259 HA THR 36 HA THR 36 6.597 10.628 -4.003
260 HB THR 36 HB THR 36 4.301 10.512 -4.795
261 HG1 THR 36 HG1 THR 36 5.603 12.552 -4.874
262 HG21 THR 36 3HG2 THR 36 3.692 11.407 -2.014
263 HG22 THR 36 1HG2 THR 36 2.891 10.186 -3.002
264 HG23 THR 36 2HG2 THR 36 2.621 11.899 -3.325
265 H GLY 37 H GLY 37 7.784 10.533 -1.692
266 HA2 GLY 37 1HA GLY 37 6.939 12.352 0.301
267 HA3 GLY 37 2HA GLY 37 8.574 11.741 0.094
268 H GLU 38 H GLU 38 9.906 13.429 0.100
269 HA GLU 38 HA GLU 38 9.090 15.903 -1.236
270 HB2 GLU 38 1HB GLU 38 10.000 15.870 1.144
271 HB3 GLU 38 2HB GLU 38 11.563 15.485 0.436
272 HG2 GLU 38 1HG GLU 38 11.784 17.729 0.553
273 HG3 GLU 38 2HG GLU 38 11.003 17.625 -1.024
274 H LYS 39 H LYS 39 10.326 13.221 -2.315
275 HA LYS 39 HA LYS 39 12.511 14.450 -3.855
276 HB2 LYS 39 1HB LYS 39 13.002 12.002 -4.453
277 HB3 LYS 39 2HB LYS 39 13.363 12.529 -2.814
278 HG2 LYS 39 1HG LYS 39 11.255 11.544 -2.043
279 HG3 LYS 39 2HG LYS 39 10.924 10.991 -3.687
280 HD2 LYS 39 1HD LYS 39 11.867 9.099 -2.801
281 HD3 LYS 39 2HD LYS 39 13.307 9.895 -3.440
282 HE2 LYS 39 1HE LYS 39 13.866 9.188 -1.257
283 HE3 LYS 39 2HE LYS 39 13.594 10.927 -1.150
284 HZ1 LYS 39 3HZ LYS 39 12.202 8.791 0.143
285 HZ2 LYS 39 1HZ LYS 39 11.143 9.835 -0.664
286 HZ3 LYS 39 2HZ LYS 39 12.208 10.445 0.500
287 HA PRO 40 HA PRO 40 8.948 14.106 -6.811
288 HB2 PRO 40 1HB PRO 40 9.337 16.551 -7.926
289 HB3 PRO 40 2HB PRO 40 8.362 16.302 -6.472
290 HG2 PRO 40 1HG PRO 40 11.197 17.232 -6.716
291 HG3 PRO 40 2HG PRO 40 9.905 17.844 -5.666
292 HD2 PRO 40 1HD PRO 40 11.840 16.174 -4.772
293 HD3 PRO 40 2HD PRO 40 10.188 16.156 -4.122
294 H SER 41 H SER 41 12.336 14.652 -7.001
295 HA SER 41 HA SER 41 13.034 15.029 -9.552
296 HB2 SER 41 1HB SER 41 14.881 13.357 -9.230
297 HB3 SER 41 2HB SER 41 14.716 14.510 -7.906
298 HG SER 41 HG SER 41 14.959 12.270 -7.258
299 H GLY 42 H GLY 42 12.764 14.129 -11.507
300 HA2 GLY 42 1HA GLY 42 12.108 11.330 -11.806
301 HA3 GLY 42 2HA GLY 42 10.783 12.420 -12.189
302 HA PRO 43 HA PRO 43 14.398 13.077 -15.389
303 HB2 PRO 43 1HB PRO 43 15.990 10.901 -15.705
304 HB3 PRO 43 2HB PRO 43 16.361 12.206 -14.572
305 HG2 PRO 43 1HG PRO 43 15.110 9.538 -14.044
306 HG3 PRO 43 2HG PRO 43 16.354 10.394 -13.114
307 HD2 PRO 43 1HD PRO 43 13.748 10.369 -12.381
308 HD3 PRO 43 2HD PRO 43 14.815 11.753 -12.066
309 H SER 44 H SER 44 12.215 10.596 -14.860
310 HA SER 44 HA SER 44 11.695 10.334 -17.694
311 HB2 SER 44 1HB SER 44 11.803 7.900 -17.738
312 HB3 SER 44 2HB SER 44 13.369 8.552 -17.255
313 HG SER 44 HG SER 44 12.708 6.808 -15.923
314 H SER 45 H SER 45 9.627 10.953 -17.643
315 HA SER 45 HA SER 45 7.875 10.126 -15.483
316 HB2 SER 45 1HB SER 45 7.724 12.427 -16.299
317 HB3 SER 45 2HB SER 45 7.343 11.845 -17.920
318 HG SER 45 HG SER 45 5.357 11.969 -17.242
319 H GLY 46 H GLY 46 7.793 9.924 -19.049
320 HA2 GLY 46 1HA GLY 46 7.277 7.275 -19.374
321 HA3 GLY 46 2HA GLY 46 5.700 7.944 -18.983
Start of MODEL 10
1 H1 GLY 1 H GLY 1 8.984 -12.580 -12.150
2 HA2 GLY 1 1HA GLY 1 9.150 -13.661 -14.882
3 HA3 GLY 1 2HA GLY 1 10.150 -14.360 -13.616
4 H SER 2 H SER 2 6.788 -13.240 -13.465
5 HA SER 2 HA SER 2 6.039 -15.908 -12.495
6 HB2 SER 2 1HB SER 2 4.663 -13.228 -12.213
7 HB3 SER 2 2HB SER 2 3.983 -14.753 -11.644
8 HG SER 2 HG SER 2 6.023 -14.943 -10.418
9 H SER 3 H SER 3 4.597 -17.158 -13.543
10 HA SER 3 HA SER 3 2.794 -16.115 -15.519
11 HB2 SER 3 1HB SER 3 5.229 -17.684 -16.355
12 HB3 SER 3 2HB SER 3 3.763 -17.653 -17.335
13 HG SER 3 HG SER 3 4.809 -15.956 -18.114
14 H GLY 4 H GLY 4 1.036 -17.380 -15.657
15 HA2 GLY 4 1HA GLY 4 -0.120 -19.443 -15.762
16 HA3 GLY 4 2HA GLY 4 1.256 -20.224 -14.998
17 H SER 5 H SER 5 1.555 -19.969 -12.718
18 HA SER 5 HA SER 5 -0.995 -19.680 -11.326
19 HB2 SER 5 1HB SER 5 0.148 -20.781 -9.442
20 HB3 SER 5 2HB SER 5 0.305 -21.725 -10.923
21 HG SER 5 HG SER 5 2.295 -19.861 -10.264
22 H SER 6 H SER 6 -1.434 -18.123 -9.867
23 HA SER 6 HA SER 6 0.712 -16.200 -9.247
24 HB2 SER 6 1HB SER 6 -2.224 -15.576 -9.651
25 HB3 SER 6 2HB SER 6 -0.952 -14.410 -9.289
26 HG SER 6 HG SER 6 -1.691 -14.891 -11.615
27 H GLY 7 H GLY 7 1.005 -15.663 -7.157
28 HA2 GLY 7 1HA GLY 7 -0.588 -17.093 -5.179
29 HA3 GLY 7 2HA GLY 7 0.921 -16.243 -4.885
30 H SER 8 H SER 8 0.873 -14.193 -4.128
31 HA SER 8 HA SER 8 -1.351 -13.205 -2.829
32 HB2 SER 8 1HB SER 8 1.190 -11.930 -3.785
33 HB3 SER 8 2HB SER 8 -0.072 -10.929 -3.069
34 HG SER 8 HG SER 8 1.307 -11.605 -1.445
35 H GLY 9 H GLY 9 -2.428 -11.050 -3.265
36 HA2 GLY 9 1HA GLY 9 -3.059 -9.458 -5.047
37 HA3 GLY 9 2HA GLY 9 -3.088 -10.834 -6.139
38 H GLU 10 H GLU 10 -4.438 -10.340 -2.881
39 HA GLU 10 HA GLU 10 -6.996 -11.364 -3.868
40 HB2 GLU 10 1HB GLU 10 -5.724 -12.178 -1.723
41 HB3 GLU 10 2HB GLU 10 -6.451 -10.757 -0.987
42 HG2 GLU 10 1HG GLU 10 -8.669 -11.569 -1.581
43 HG3 GLU 10 2HG GLU 10 -7.951 -12.985 -2.346
44 H LYS 11 H LYS 11 -5.820 -8.736 -1.763
45 HA LYS 11 HA LYS 11 -8.184 -7.311 -1.543
46 HB2 LYS 11 1HB LYS 11 -5.317 -6.374 -1.566
47 HB3 LYS 11 2HB LYS 11 -6.665 -5.298 -1.220
48 HG2 LYS 11 1HG LYS 11 -6.088 -7.808 0.335
49 HG3 LYS 11 2HG LYS 11 -5.500 -6.206 0.789
50 HD2 LYS 11 1HD LYS 11 -7.742 -5.393 1.053
51 HD3 LYS 11 2HD LYS 11 -8.412 -6.889 0.396
52 HE2 LYS 11 1HE LYS 11 -6.649 -7.012 2.799
53 HE3 LYS 11 2HE LYS 11 -8.318 -6.478 2.987
54 HZ1 LYS 11 3HZ LYS 11 -7.440 -9.067 2.915
55 HZ2 LYS 11 1HZ LYS 11 -8.130 -8.832 1.389
56 HZ3 LYS 11 2HZ LYS 11 -9.045 -8.551 2.782
57 HA PRO 12 HA PRO 12 -8.989 -5.606 -5.513
58 HB2 PRO 12 1HB PRO 12 -10.333 -3.359 -4.796
59 HB3 PRO 12 2HB PRO 12 -11.034 -4.977 -4.675
60 HG2 PRO 12 1HG PRO 12 -9.787 -3.289 -2.541
61 HG3 PRO 12 2HG PRO 12 -11.261 -4.271 -2.471
62 HD2 PRO 12 1HD PRO 12 -8.900 -5.112 -1.446
63 HD3 PRO 12 2HD PRO 12 -10.091 -6.230 -2.142
64 H PHE 13 H PHE 13 -7.925 -3.181 -3.120
65 HA PHE 13 HA PHE 13 -6.691 -1.587 -5.204
66 HB2 PHE 13 1HB PHE 13 -6.757 -1.192 -2.205
67 HB3 PHE 13 2HB PHE 13 -6.144 -0.027 -3.374
68 HD1 PHE 13 HD1 PHE 13 -7.729 0.988 -5.026
69 HD2 PHE 13 HD2 PHE 13 -9.048 -1.333 -1.710
70 HE1 PHE 13 HE1 PHE 13 -9.983 1.946 -5.257
71 HE2 PHE 13 HE2 PHE 13 -11.304 -0.380 -1.937
72 HZ PHE 13 HZ PHE 13 -11.775 1.261 -3.712
73 H LYS 14 H LYS 14 -4.640 -1.736 -5.815
74 HA LYS 14 HA LYS 14 -2.664 -2.845 -3.951
75 HB2 LYS 14 1HB LYS 14 -3.216 -4.720 -5.325
76 HB3 LYS 14 2HB LYS 14 -3.157 -3.746 -6.788
77 HG2 LYS 14 1HG LYS 14 -1.157 -4.837 -6.925
78 HG3 LYS 14 2HG LYS 14 -0.665 -3.374 -6.068
79 HD2 LYS 14 1HD LYS 14 0.311 -4.938 -4.723
80 HD3 LYS 14 2HD LYS 14 -1.276 -4.856 -3.956
81 HE2 LYS 14 1HE LYS 14 -1.983 -6.778 -5.377
82 HE3 LYS 14 2HE LYS 14 -0.322 -6.900 -5.956
83 HZ1 LYS 14 3HZ LYS 14 0.101 -8.166 -4.207
84 HZ2 LYS 14 1HZ LYS 14 -1.445 -7.911 -3.569
85 HZ3 LYS 14 2HZ LYS 14 -0.189 -6.844 -3.193
86 H CYS 15 H CYS 15 -0.858 -1.673 -3.850
87 HA CYS 15 HA CYS 15 -0.581 0.733 -5.303
88 HB2 CYS 15 1HB CYS 15 0.363 0.126 -2.985
89 HB3 CYS 15 2HB CYS 15 1.681 -0.639 -3.866
90 H LYS 16 H LYS 16 0.248 1.110 -7.246
91 HA LYS 16 HA LYS 16 1.554 -1.064 -8.677
92 HB2 LYS 16 1HB LYS 16 -0.324 0.569 -9.548
93 HB3 LYS 16 2HB LYS 16 1.044 1.619 -9.894
94 HG2 LYS 16 1HG LYS 16 1.919 0.174 -11.479
95 HG3 LYS 16 2HG LYS 16 1.032 -1.215 -10.846
96 HD2 LYS 16 1HD LYS 16 -0.526 1.087 -11.908
97 HD3 LYS 16 2HD LYS 16 0.280 0.021 -13.061
98 HE2 LYS 16 1HE LYS 16 -1.622 -0.878 -10.900
99 HE3 LYS 16 2HE LYS 16 -2.051 -0.649 -12.595
100 HZ1 LYS 16 3HZ LYS 16 -1.226 -2.970 -11.543
101 HZ2 LYS 16 1HZ LYS 16 0.234 -2.361 -12.141
102 HZ3 LYS 16 2HZ LYS 16 -1.085 -2.568 -13.180
103 H GLU 17 H GLU 17 2.858 0.559 -6.501
104 HA GLU 17 HA GLU 17 5.175 1.488 -8.068
105 HB2 GLU 17 1HB GLU 17 3.937 2.592 -5.565
106 HB3 GLU 17 2HB GLU 17 5.633 2.883 -5.928
107 HG2 GLU 17 1HG GLU 17 4.843 3.774 -8.170
108 HG3 GLU 17 2HG GLU 17 3.222 3.762 -7.479
109 H CYS 18 H CYS 18 4.100 -0.068 -5.081
110 HA CYS 18 HA CYS 18 6.782 -1.263 -4.824
111 HB2 CYS 18 1HB CYS 18 6.414 -1.410 -2.427
112 HB3 CYS 18 2HB CYS 18 6.192 0.254 -2.958
113 H GLY 19 H GLY 19 3.313 -1.832 -4.298
114 HA2 GLY 19 1HA GLY 19 2.468 -3.920 -5.366
115 HA3 GLY 19 2HA GLY 19 3.849 -4.719 -4.631
116 H LYS 20 H LYS 20 2.208 -2.261 -2.841
117 HA LYS 20 HA LYS 20 1.459 -4.198 -0.830
118 HB2 LYS 20 1HB LYS 20 2.400 -1.759 -0.531
119 HB3 LYS 20 2HB LYS 20 0.708 -1.305 -0.678
120 HG2 LYS 20 1HG LYS 20 0.113 -2.531 1.252
121 HG3 LYS 20 2HG LYS 20 1.678 -3.346 1.302
122 HD2 LYS 20 1HD LYS 20 2.792 -1.310 1.893
123 HD3 LYS 20 2HD LYS 20 1.321 -0.370 1.627
124 HE2 LYS 20 1HE LYS 20 1.409 -2.585 3.647
125 HE3 LYS 20 2HE LYS 20 1.986 -0.967 4.044
126 HZ1 LYS 20 3HZ LYS 20 -0.749 -1.715 3.166
127 HZ2 LYS 20 1HZ LYS 20 -0.218 -0.120 3.359
128 HZ3 LYS 20 2HZ LYS 20 -0.289 -1.155 4.695
129 H ALA 21 H ALA 21 -0.726 -4.102 0.176
130 HA ALA 21 HA ALA 21 -2.804 -3.701 -1.878
131 HB1 ALA 21 3HB ALA 21 -2.295 -5.959 -0.026
132 HB2 ALA 21 1HB ALA 21 -3.976 -5.529 -0.344
133 HB3 ALA 21 2HB ALA 21 -2.908 -5.963 -1.680
134 H PHE 22 H PHE 22 -5.026 -3.425 -0.918
135 HA PHE 22 HA PHE 22 -5.140 -2.305 1.745
136 HB2 PHE 22 1HB PHE 22 -6.064 -0.494 -0.460
137 HB3 PHE 22 2HB PHE 22 -5.642 -0.095 1.203
138 HD1 PHE 22 HD1 PHE 22 -4.211 -1.132 -2.052
139 HD2 PHE 22 HD2 PHE 22 -3.490 0.632 1.754
140 HE1 PHE 22 HE1 PHE 22 -1.959 -0.469 -2.790
141 HE2 PHE 22 HE2 PHE 22 -1.238 1.298 1.022
142 HZ PHE 22 HZ PHE 22 -0.470 0.749 -1.252
143 H ARG 23 H ARG 23 -7.428 -1.464 2.187
144 HA ARG 23 HA ARG 23 -9.315 -3.353 0.965
145 HB2 ARG 23 1HB ARG 23 -9.418 -1.879 3.602
146 HB3 ARG 23 2HB ARG 23 -10.704 -2.913 2.992
147 HG2 ARG 23 1HG ARG 23 -9.449 -4.848 3.262
148 HG3 ARG 23 2HG ARG 23 -7.923 -3.964 3.318
149 HD2 ARG 23 1HD ARG 23 -8.664 -2.962 5.476
150 HD3 ARG 23 2HD ARG 23 -10.076 -4.017 5.427
151 HE ARG 23 HE ARG 23 -7.427 -4.737 6.195
152 HH11 ARG 23 1HH1 ARG 23 -10.333 -5.936 4.699
153 HH12 ARG 23 2HH1 ARG 23 -10.030 -7.587 5.131
154 HH21 ARG 23 1HH2 ARG 23 -7.017 -6.907 6.769
155 HH22 ARG 23 2HH2 ARG 23 -8.144 -8.137 6.309
156 H GLN 24 H GLN 24 -8.879 0.042 1.812
157 HA GLN 24 HA GLN 24 -11.091 0.701 -0.012
158 HB2 GLN 24 1HB GLN 24 -10.463 2.117 2.584
159 HB3 GLN 24 2HB GLN 24 -11.730 2.559 1.447
160 HG2 GLN 24 1HG GLN 24 -11.722 -0.189 2.583
161 HG3 GLN 24 2HG GLN 24 -12.253 1.152 3.595
162 HE21 GLN 24 1HE2 GLN 24 -12.744 -0.219 0.365
163 HE22 GLN 24 2HE2 GLN 24 -14.436 0.118 0.290
164 H ASN 25 H ASN 25 -10.965 2.918 -0.885
165 HA ASN 25 HA ASN 25 -8.517 3.434 -2.093
166 HB2 ASN 25 1HB ASN 25 -10.972 5.121 -1.675
167 HB3 ASN 25 2HB ASN 25 -9.558 5.766 -2.503
168 HD21 ASN 25 1HD2 ASN 25 -12.364 3.898 -2.774
169 HD22 ASN 25 2HD2 ASN 25 -12.136 3.352 -4.397
170 H ILE 26 H ILE 26 -9.968 4.915 0.779
171 HA ILE 26 HA ILE 26 -8.235 6.959 1.304
172 HB ILE 26 HB ILE 26 -10.166 6.488 2.719
173 HG12 ILE 26 1HG1 ILE 26 -8.866 6.623 5.001
174 HG13 ILE 26 2HG1 ILE 26 -7.451 6.736 3.960
175 HG21 ILE 26 1HG2 ILE 26 -8.577 4.247 3.946
176 HG22 ILE 26 2HG2 ILE 26 -10.248 4.698 4.279
177 HG23 ILE 26 3HG2 ILE 26 -9.817 4.001 2.718
178 HD11 ILE 26 3HD1 ILE 26 -9.245 8.560 2.893
179 HD12 ILE 26 1HD1 ILE 26 -9.405 8.740 4.640
180 HD13 ILE 26 2HD1 ILE 26 -7.825 8.915 3.875
181 H HIS 27 H HIS 27 -7.780 3.543 2.173
182 HA HIS 27 HA HIS 27 -5.337 3.814 3.502
183 HB2 HIS 27 1HB HIS 27 -6.542 1.516 1.964
184 HB3 HIS 27 2HB HIS 27 -5.006 1.379 2.816
185 HD1 HIS 27 HD1 HIS 27 -5.149 0.704 5.199
186 HD2 HIS 27 HD2 HIS 27 -8.747 2.237 3.795
187 HE1 HIS 27 HE1 HIS 27 -6.793 0.387 7.076
188 H LEU 28 H LEU 28 -5.841 2.692 0.150
189 HA LEU 28 HA LEU 28 -3.213 2.633 -0.664
190 HB2 LEU 28 1HB LEU 28 -4.875 1.749 -2.093
191 HB3 LEU 28 2HB LEU 28 -5.727 3.290 -2.174
192 HG LEU 28 HG LEU 28 -3.800 4.212 -3.459
193 HD11 LEU 28 1HD1 LEU 28 -2.155 2.727 -4.388
194 HD12 LEU 28 2HD1 LEU 28 -2.906 1.338 -3.604
195 HD13 LEU 28 3HD1 LEU 28 -2.127 2.584 -2.630
196 HD21 LEU 28 3HD2 LEU 28 -5.763 3.484 -4.640
197 HD22 LEU 28 1HD2 LEU 28 -5.224 1.805 -4.586
198 HD23 LEU 28 2HD2 LEU 28 -4.336 2.986 -5.550
199 H ALA 29 H ALA 29 -5.470 5.371 -1.016
200 HA ALA 29 HA ALA 29 -3.640 7.183 -2.105
201 HB1 ALA 29 3HB ALA 29 -5.239 8.923 -1.116
202 HB2 ALA 29 1HB ALA 29 -5.891 7.775 -2.284
203 HB3 ALA 29 2HB ALA 29 -6.186 7.543 -0.560
204 H SER 30 H SER 30 -4.169 6.156 1.178
205 HA SER 30 HA SER 30 -2.670 8.327 2.344
206 HB2 SER 30 1HB SER 30 -4.574 7.051 3.476
207 HB3 SER 30 2HB SER 30 -3.416 5.741 3.709
208 HG SER 30 HG SER 30 -3.720 7.520 5.399
209 H HIS 31 H HIS 31 -1.948 5.343 0.886
210 HA HIS 31 HA HIS 31 0.619 5.084 2.261
211 HB2 HIS 31 1HB HIS 31 -0.462 2.992 2.037
212 HB3 HIS 31 2HB HIS 31 -0.897 3.306 0.359
213 HD1 HIS 31 HD1 HIS 31 2.076 2.410 2.499
214 HD2 HIS 31 HD2 HIS 31 0.975 2.531 -1.506
215 HE1 HIS 31 HE1 HIS 31 3.932 1.256 1.256
216 H LEU 32 H LEU 32 -0.717 5.628 -0.968
217 HA LEU 32 HA LEU 32 1.562 5.602 -2.501
218 HB2 LEU 32 1HB LEU 32 -0.831 7.420 -2.677
219 HB3 LEU 32 2HB LEU 32 0.413 7.320 -3.922
220 HG LEU 32 HG LEU 32 -1.325 5.011 -3.055
221 HD11 LEU 32 1HD1 LEU 32 -2.742 6.634 -4.081
222 HD12 LEU 32 2HD1 LEU 32 -2.426 5.366 -5.265
223 HD13 LEU 32 3HD1 LEU 32 -1.579 6.909 -5.379
224 HD21 LEU 32 3HD2 LEU 32 -0.474 4.273 -5.424
225 HD22 LEU 32 1HD2 LEU 32 0.516 4.011 -3.988
226 HD23 LEU 32 2HD2 LEU 32 0.855 5.373 -5.055
227 H ARG 33 H ARG 33 0.481 8.048 -0.249
228 HA ARG 33 HA ARG 33 2.052 10.204 -1.021
229 HB2 ARG 33 1HB ARG 33 1.817 11.017 1.251
230 HB3 ARG 33 2HB ARG 33 0.303 10.296 0.724
231 HG2 ARG 33 1HG ARG 33 0.913 8.232 1.947
232 HG3 ARG 33 2HG ARG 33 2.349 9.060 2.552
233 HD2 ARG 33 1HD ARG 33 -0.438 10.123 2.947
234 HD3 ARG 33 2HD ARG 33 0.333 9.022 4.088
235 HE ARG 33 HE ARG 33 2.150 11.000 3.845
236 HH11 ARG 33 1HH1 ARG 33 -1.267 10.986 4.512
237 HH12 ARG 33 2HH1 ARG 33 -1.217 12.423 5.478
238 HH21 ARG 33 1HH2 ARG 33 2.229 12.893 5.114
239 HH22 ARG 33 2HH2 ARG 33 0.772 13.508 5.819
240 H ILE 34 H ILE 34 2.918 7.286 0.690
241 HA ILE 34 HA ILE 34 5.452 8.188 1.627
242 HB ILE 34 HB ILE 34 5.868 5.990 2.316
243 HG12 ILE 34 1HG1 ILE 34 4.147 4.179 1.323
244 HG13 ILE 34 2HG1 ILE 34 4.222 5.276 -0.052
245 HG21 ILE 34 1HG2 ILE 34 3.785 5.246 3.364
246 HG22 ILE 34 2HG2 ILE 34 3.983 6.993 3.485
247 HG23 ILE 34 3HG2 ILE 34 2.870 6.313 2.299
248 HD11 ILE 34 3HD1 ILE 34 6.175 4.450 -0.668
249 HD12 ILE 34 1HD1 ILE 34 6.861 4.735 0.931
250 HD13 ILE 34 2HD1 ILE 34 6.002 3.231 0.595
251 H HIS 35 H HIS 35 4.309 7.363 -1.440
252 HA HIS 35 HA HIS 35 6.992 6.668 -2.412
253 HB2 HIS 35 1HB HIS 35 4.254 6.341 -3.641
254 HB3 HIS 35 2HB HIS 35 5.746 6.073 -4.539
255 HD1 HIS 35 HD1 HIS 35 7.420 4.288 -3.081
256 HD2 HIS 35 HD2 HIS 35 3.294 4.023 -2.667
257 HE1 HIS 35 HE1 HIS 35 6.979 1.972 -2.207
258 H THR 36 H THR 36 4.578 9.132 -2.455
259 HA THR 36 HA THR 36 5.848 10.541 -4.676
260 HB THR 36 HB THR 36 3.960 12.266 -4.000
261 HG1 THR 36 HG1 THR 36 2.210 11.260 -3.025
262 HG21 THR 36 3HG2 THR 36 2.543 11.297 -5.635
263 HG22 THR 36 1HG2 THR 36 3.154 9.675 -5.309
264 HG23 THR 36 2HG2 THR 36 4.188 10.865 -6.101
265 H GLY 37 H GLY 37 7.552 10.306 -2.542
266 HA2 GLY 37 1HA GLY 37 7.387 12.694 -0.906
267 HA3 GLY 37 2HA GLY 37 8.654 11.477 -0.855
268 H GLU 38 H GLU 38 10.379 11.593 -2.357
269 HA GLU 38 HA GLU 38 11.612 13.949 -2.731
270 HB2 GLU 38 1HB GLU 38 12.368 11.553 -3.372
271 HB3 GLU 38 2HB GLU 38 11.717 11.937 -4.959
272 HG2 GLU 38 1HG GLU 38 13.942 12.480 -5.185
273 HG3 GLU 38 2HG GLU 38 13.207 14.037 -4.809
274 H LYS 39 H LYS 39 11.236 15.781 -3.778
275 HA LYS 39 HA LYS 39 8.959 16.213 -5.356
276 HB2 LYS 39 1HB LYS 39 11.493 17.848 -5.138
277 HB3 LYS 39 2HB LYS 39 10.006 18.405 -5.894
278 HG2 LYS 39 1HG LYS 39 10.059 17.474 -3.046
279 HG3 LYS 39 2HG LYS 39 10.480 19.130 -3.491
280 HD2 LYS 39 1HD LYS 39 8.311 19.482 -4.459
281 HD3 LYS 39 2HD LYS 39 7.889 17.782 -4.245
282 HE2 LYS 39 1HE LYS 39 8.435 18.341 -1.718
283 HE3 LYS 39 2HE LYS 39 8.041 19.977 -2.243
284 HZ1 LYS 39 3HZ LYS 39 5.998 19.212 -1.614
285 HZ2 LYS 39 1HZ LYS 39 6.312 17.614 -2.072
286 HZ3 LYS 39 2HZ LYS 39 5.971 18.779 -3.249
287 HA PRO 40 HA PRO 40 10.168 14.806 -9.348
288 HB2 PRO 40 1HB PRO 40 8.495 16.314 -10.863
289 HB3 PRO 40 2HB PRO 40 7.942 14.936 -9.903
290 HG2 PRO 40 1HG PRO 40 7.820 17.859 -9.267
291 HG3 PRO 40 2HG PRO 40 6.584 16.610 -9.030
292 HD2 PRO 40 1HD PRO 40 8.154 17.507 -7.014
293 HD3 PRO 40 2HD PRO 40 7.558 15.836 -7.089
294 H SER 41 H SER 41 11.572 15.348 -10.955
295 HA SER 41 HA SER 41 13.161 17.653 -10.677
296 HB2 SER 41 1HB SER 41 14.101 15.669 -11.671
297 HB3 SER 41 2HB SER 41 12.902 15.689 -12.964
298 HG SER 41 HG SER 41 15.265 16.851 -12.944
299 H GLY 42 H GLY 42 13.350 19.511 -11.945
300 HA2 GLY 42 1HA GLY 42 12.710 21.104 -13.520
301 HA3 GLY 42 2HA GLY 42 11.437 20.020 -14.060
302 HA PRO 43 HA PRO 43 10.038 23.311 -10.783
303 HB2 PRO 43 1HB PRO 43 9.898 25.616 -12.210
304 HB3 PRO 43 2HB PRO 43 11.322 25.152 -11.273
305 HG2 PRO 43 1HG PRO 43 10.819 24.885 -14.212
306 HG3 PRO 43 2HG PRO 43 12.287 25.418 -13.372
307 HD2 PRO 43 1HD PRO 43 12.001 22.913 -14.359
308 HD3 PRO 43 2HD PRO 43 12.951 23.262 -12.900
309 H SER 44 H SER 44 7.985 24.635 -10.949
310 HA SER 44 HA SER 44 6.127 23.216 -12.680
311 HB2 SER 44 1HB SER 44 5.849 24.957 -10.254
312 HB3 SER 44 2HB SER 44 4.454 24.692 -11.300
313 HG SER 44 HG SER 44 4.293 23.010 -9.990
314 H SER 45 H SER 45 7.644 24.717 -14.273
315 HA SER 45 HA SER 45 6.254 27.245 -14.755
316 HB2 SER 45 1HB SER 45 8.717 27.278 -14.753
317 HB3 SER 45 2HB SER 45 8.733 26.104 -16.069
318 HG SER 45 HG SER 45 8.770 27.879 -17.225
319 H GLY 46 H GLY 46 4.301 26.531 -15.614
320 HA2 GLY 46 1HA GLY 46 3.403 26.516 -17.936
321 HA3 GLY 46 2HA GLY 46 4.517 25.191 -18.240
Start of MODEL 11
1 H1 GLY 1 H GLY 1 5.206 -21.772 -8.843
2 HA2 GLY 1 1HA GLY 1 4.328 -22.945 -6.331
3 HA3 GLY 1 2HA GLY 1 4.818 -21.259 -6.250
4 H SER 2 H SER 2 2.261 -22.019 -5.573
5 HA SER 2 HA SER 2 0.727 -20.627 -7.636
6 HB2 SER 2 1HB SER 2 0.083 -23.359 -6.535
7 HB3 SER 2 2HB SER 2 -1.163 -22.318 -7.222
8 HG SER 2 HG SER 2 0.974 -23.612 -8.473
9 H SER 3 H SER 3 -0.241 -18.968 -6.696
10 HA SER 3 HA SER 3 -0.786 -19.062 -3.823
11 HB2 SER 3 1HB SER 3 -0.658 -16.785 -5.804
12 HB3 SER 3 2HB SER 3 -1.206 -16.578 -4.141
13 HG SER 3 HG SER 3 0.833 -17.348 -3.456
14 H GLY 4 H GLY 4 -2.797 -18.949 -2.959
15 HA2 GLY 4 1HA GLY 4 -5.033 -19.173 -4.852
16 HA3 GLY 4 2HA GLY 4 -5.046 -19.717 -3.181
17 H SER 5 H SER 5 -6.837 -17.895 -4.764
18 HA SER 5 HA SER 5 -6.681 -15.566 -2.963
19 HB2 SER 5 1HB SER 5 -7.690 -14.208 -4.712
20 HB3 SER 5 2HB SER 5 -6.243 -14.995 -5.344
21 HG SER 5 HG SER 5 -8.727 -15.132 -6.272
22 H SER 6 H SER 6 -7.965 -17.889 -2.169
23 HA SER 6 HA SER 6 -10.823 -17.361 -2.568
24 HB2 SER 6 1HB SER 6 -9.281 -19.757 -1.599
25 HB3 SER 6 2HB SER 6 -11.010 -19.605 -1.288
26 HG SER 6 HG SER 6 -9.653 -19.931 -3.719
27 H GLY 7 H GLY 7 -12.104 -16.614 -0.979
28 HA2 GLY 7 1HA GLY 7 -12.243 -16.903 1.632
29 HA3 GLY 7 2HA GLY 7 -10.809 -15.891 1.545
30 H SER 8 H SER 8 -12.957 -15.011 2.958
31 HA SER 8 HA SER 8 -14.725 -13.400 1.403
32 HB2 SER 8 1HB SER 8 -15.441 -12.468 3.554
33 HB3 SER 8 2HB SER 8 -15.324 -14.225 3.652
34 HG SER 8 HG SER 8 -14.126 -13.794 5.330
35 H GLY 9 H GLY 9 -11.887 -12.667 3.425
36 HA2 GLY 9 1HA GLY 9 -11.879 -9.888 2.917
37 HA3 GLY 9 2HA GLY 9 -10.513 -10.829 3.498
38 H GLU 10 H GLU 10 -11.045 -8.669 1.329
39 HA GLU 10 HA GLU 10 -9.232 -9.878 -0.614
40 HB2 GLU 10 1HB GLU 10 -10.532 -9.241 -2.519
41 HB3 GLU 10 2HB GLU 10 -11.575 -10.173 -1.454
42 HG2 GLU 10 1HG GLU 10 -11.545 -7.190 -1.310
43 HG3 GLU 10 2HG GLU 10 -12.480 -8.022 -2.551
44 H LYS 11 H LYS 11 -8.244 -8.263 -2.055
45 HA LYS 11 HA LYS 11 -8.213 -5.570 -0.864
46 HB2 LYS 11 1HB LYS 11 -5.842 -7.152 -1.875
47 HB3 LYS 11 2HB LYS 11 -5.784 -5.472 -1.356
48 HG2 LYS 11 1HG LYS 11 -5.091 -6.471 0.558
49 HG3 LYS 11 2HG LYS 11 -6.832 -6.498 0.847
50 HD2 LYS 11 1HD LYS 11 -6.878 -8.798 -0.130
51 HD3 LYS 11 2HD LYS 11 -5.115 -8.751 -0.190
52 HE2 LYS 11 1HE LYS 11 -6.655 -8.276 2.348
53 HE3 LYS 11 2HE LYS 11 -6.181 -9.891 1.823
54 HZ1 LYS 11 3HZ LYS 11 -4.652 -8.553 3.404
55 HZ2 LYS 11 1HZ LYS 11 -4.154 -7.767 1.991
56 HZ3 LYS 11 2HZ LYS 11 -3.964 -9.441 2.139
57 HA PRO 12 HA PRO 12 -9.253 -5.103 -5.305
58 HB2 PRO 12 1HB PRO 12 -10.808 -2.911 -4.920
59 HB3 PRO 12 2HB PRO 12 -11.409 -4.562 -4.725
60 HG2 PRO 12 1HG PRO 12 -10.499 -2.617 -2.638
61 HG3 PRO 12 2HG PRO 12 -11.905 -3.698 -2.623
62 HD2 PRO 12 1HD PRO 12 -9.611 -4.275 -1.307
63 HD3 PRO 12 2HD PRO 12 -10.649 -5.531 -2.012
64 H PHE 13 H PHE 13 -7.744 -3.114 -2.936
65 HA PHE 13 HA PHE 13 -6.770 -1.285 -5.028
66 HB2 PHE 13 1HB PHE 13 -6.877 -0.887 -2.030
67 HB3 PHE 13 2HB PHE 13 -6.230 0.273 -3.186
68 HD1 PHE 13 HD1 PHE 13 -7.749 1.376 -4.804
69 HD2 PHE 13 HD2 PHE 13 -9.201 -1.081 -1.646
70 HE1 PHE 13 HE1 PHE 13 -9.990 2.353 -5.079
71 HE2 PHE 13 HE2 PHE 13 -11.445 -0.108 -1.917
72 HZ PHE 13 HZ PHE 13 -11.842 1.610 -3.636
73 H LYS 14 H LYS 14 -4.667 -1.265 -5.531
74 HA LYS 14 HA LYS 14 -2.732 -2.452 -3.682
75 HB2 LYS 14 1HB LYS 14 -3.133 -4.313 -5.063
76 HB3 LYS 14 2HB LYS 14 -3.252 -3.324 -6.512
77 HG2 LYS 14 1HG LYS 14 -0.853 -2.862 -6.391
78 HG3 LYS 14 2HG LYS 14 -0.737 -3.870 -4.947
79 HD2 LYS 14 1HD LYS 14 -1.956 -5.050 -7.391
80 HD3 LYS 14 2HD LYS 14 -0.206 -4.823 -7.361
81 HE2 LYS 14 1HE LYS 14 -1.769 -6.264 -5.223
82 HE3 LYS 14 2HE LYS 14 -0.969 -7.065 -6.575
83 HZ1 LYS 14 3HZ LYS 14 1.141 -6.267 -5.807
84 HZ2 LYS 14 1HZ LYS 14 0.365 -7.050 -4.524
85 HZ3 LYS 14 2HZ LYS 14 0.415 -5.360 -4.577
86 H CYS 15 H CYS 15 -0.683 -1.590 -3.793
87 HA CYS 15 HA CYS 15 -0.467 0.996 -5.007
88 HB2 CYS 15 1HB CYS 15 0.537 0.279 -2.776
89 HB3 CYS 15 2HB CYS 15 1.770 -0.560 -3.713
90 H LYS 16 H LYS 16 0.297 1.479 -6.953
91 HA LYS 16 HA LYS 16 1.422 -0.620 -8.609
92 HB2 LYS 16 1HB LYS 16 0.544 2.211 -9.153
93 HB3 LYS 16 2HB LYS 16 1.372 1.240 -10.364
94 HG2 LYS 16 1HG LYS 16 -0.416 -0.131 -10.694
95 HG3 LYS 16 2HG LYS 16 -1.019 0.074 -9.047
96 HD2 LYS 16 1HD LYS 16 -2.580 1.276 -10.227
97 HD3 LYS 16 2HD LYS 16 -1.418 2.545 -9.836
98 HE2 LYS 16 1HE LYS 16 -0.345 1.808 -12.121
99 HE3 LYS 16 2HE LYS 16 -1.970 1.202 -12.439
100 HZ1 LYS 16 3HZ LYS 16 -2.080 3.824 -11.375
101 HZ2 LYS 16 1HZ LYS 16 -2.666 3.249 -12.854
102 HZ3 LYS 16 2HZ LYS 16 -1.070 3.795 -12.732
103 H GLU 17 H GLU 17 2.837 0.908 -6.313
104 HA GLU 17 HA GLU 17 5.218 1.703 -7.855
105 HB2 GLU 17 1HB GLU 17 4.166 2.619 -5.189
106 HB3 GLU 17 2HB GLU 17 5.845 2.867 -5.646
107 HG2 GLU 17 1HG GLU 17 3.542 3.821 -7.319
108 HG3 GLU 17 2HG GLU 17 4.281 4.796 -6.050
109 H CYS 18 H CYS 18 4.169 0.072 -4.878
110 HA CYS 18 HA CYS 18 6.713 -1.416 -4.895
111 HB2 CYS 18 1HB CYS 18 6.339 -1.765 -2.466
112 HB3 CYS 18 2HB CYS 18 6.505 -0.065 -2.893
113 H GLY 19 H GLY 19 3.242 -1.693 -4.169
114 HA2 GLY 19 1HA GLY 19 2.142 -3.614 -5.331
115 HA3 GLY 19 2HA GLY 19 3.471 -4.588 -4.720
116 H LYS 20 H LYS 20 2.183 -2.107 -2.693
117 HA LYS 20 HA LYS 20 1.449 -4.014 -0.693
118 HB2 LYS 20 1HB LYS 20 2.395 -1.795 -0.148
119 HB3 LYS 20 2HB LYS 20 0.945 -1.034 -0.787
120 HG2 LYS 20 1HG LYS 20 0.587 -1.041 1.501
121 HG3 LYS 20 2HG LYS 20 -0.313 -2.455 0.948
122 HD2 LYS 20 1HD LYS 20 1.637 -3.868 1.542
123 HD3 LYS 20 2HD LYS 20 2.434 -2.436 2.198
124 HE2 LYS 20 1HE LYS 20 0.274 -2.195 3.612
125 HE3 LYS 20 2HE LYS 20 0.019 -3.891 3.205
126 HZ1 LYS 20 3HZ LYS 20 1.945 -2.692 5.000
127 HZ2 LYS 20 1HZ LYS 20 2.571 -3.911 4.006
128 HZ3 LYS 20 2HZ LYS 20 1.259 -4.238 5.022
129 H ALA 21 H ALA 21 -0.539 -4.702 -0.061
130 HA ALA 21 HA ALA 21 -2.771 -4.035 -1.844
131 HB1 ALA 21 3HB ALA 21 -3.752 -6.104 -1.252
132 HB2 ALA 21 1HB ALA 21 -2.039 -6.429 -1.520
133 HB3 ALA 21 2HB ALA 21 -2.668 -6.307 0.124
134 H PHE 22 H PHE 22 -4.697 -3.247 -1.099
135 HA PHE 22 HA PHE 22 -4.906 -2.697 1.783
136 HB2 PHE 22 1HB PHE 22 -5.904 -0.731 -0.258
137 HB3 PHE 22 2HB PHE 22 -5.538 -0.467 1.444
138 HD1 PHE 22 HD1 PHE 22 -4.024 -1.066 -1.873
139 HD2 PHE 22 HD2 PHE 22 -3.400 0.221 2.136
140 HE1 PHE 22 HE1 PHE 22 -1.787 -0.244 -2.488
141 HE2 PHE 22 HE2 PHE 22 -1.163 1.045 1.527
142 HZ PHE 22 HZ PHE 22 -0.355 0.814 -0.787
143 H ARG 23 H ARG 23 -7.301 -1.660 2.067
144 HA ARG 23 HA ARG 23 -9.141 -3.544 0.743
145 HB2 ARG 23 1HB ARG 23 -9.012 -2.638 3.610
146 HB3 ARG 23 2HB ARG 23 -10.491 -3.293 2.920
147 HG2 ARG 23 1HG ARG 23 -9.611 -5.193 3.797
148 HG3 ARG 23 2HG ARG 23 -8.867 -5.247 2.198
149 HD2 ARG 23 1HD ARG 23 -6.800 -4.530 3.003
150 HD3 ARG 23 2HD ARG 23 -7.498 -3.885 4.488
151 HE ARG 23 HE ARG 23 -7.889 -6.681 4.357
152 HH11 ARG 23 1HH1 ARG 23 -5.420 -4.288 4.906
153 HH12 ARG 23 2HH1 ARG 23 -4.457 -5.323 5.908
154 HH21 ARG 23 1HH2 ARG 23 -6.630 -8.052 5.676
155 HH22 ARG 23 2HH2 ARG 23 -5.146 -7.464 6.345
156 H GLN 24 H GLN 24 -8.597 -0.303 1.929
157 HA GLN 24 HA GLN 24 -11.104 0.546 0.633
158 HB2 GLN 24 1HB GLN 24 -9.675 1.845 2.959
159 HB3 GLN 24 2HB GLN 24 -11.133 2.456 2.189
160 HG2 GLN 24 1HG GLN 24 -12.456 0.767 3.054
161 HG3 GLN 24 2HG GLN 24 -11.080 -0.295 3.349
162 HE21 GLN 24 1HE2 GLN 24 -10.646 -0.545 5.408
163 HE22 GLN 24 2HE2 GLN 24 -10.854 0.637 6.651
164 H ASN 25 H ASN 25 -11.074 2.435 -0.612
165 HA ASN 25 HA ASN 25 -8.790 2.867 -2.160
166 HB2 ASN 25 1HB ASN 25 -10.048 4.398 -3.340
167 HB3 ASN 25 2HB ASN 25 -11.327 3.484 -2.547
168 HD21 ASN 25 1HD2 ASN 25 -12.639 4.480 -1.122
169 HD22 ASN 25 2HD2 ASN 25 -12.532 6.154 -0.708
170 H ILE 26 H ILE 26 -9.884 4.384 0.787
171 HA ILE 26 HA ILE 26 -8.238 6.676 0.701
172 HB ILE 26 HB ILE 26 -10.196 6.300 2.253
173 HG12 ILE 26 1HG1 ILE 26 -7.703 7.122 3.734
174 HG13 ILE 26 2HG1 ILE 26 -8.387 8.107 2.446
175 HG21 ILE 26 1HG2 ILE 26 -8.150 4.778 3.862
176 HG22 ILE 26 2HG2 ILE 26 -9.795 5.173 4.360
177 HG23 ILE 26 3HG2 ILE 26 -9.523 4.061 3.019
178 HD11 ILE 26 3HD1 ILE 26 -9.566 7.433 5.113
179 HD12 ILE 26 1HD1 ILE 26 -9.233 9.018 4.417
180 HD13 ILE 26 2HD1 ILE 26 -10.554 8.036 3.783
181 H HIS 27 H HIS 27 -7.753 3.441 2.054
182 HA HIS 27 HA HIS 27 -5.334 3.872 3.361
183 HB2 HIS 27 1HB HIS 27 -6.700 1.498 2.196
184 HB3 HIS 27 2HB HIS 27 -4.995 1.334 2.605
185 HD1 HIS 27 HD1 HIS 27 -4.571 0.599 4.923
186 HD2 HIS 27 HD2 HIS 27 -8.233 2.528 4.564
187 HE1 HIS 27 HE1 HIS 27 -5.632 0.455 7.198
188 H LEU 28 H LEU 28 -5.916 2.847 0.007
189 HA LEU 28 HA LEU 28 -3.204 2.658 -0.730
190 HB2 LEU 28 1HB LEU 28 -4.766 1.578 -2.112
191 HB3 LEU 28 2HB LEU 28 -5.743 3.035 -2.284
192 HG LEU 28 HG LEU 28 -3.874 4.025 -3.626
193 HD11 LEU 28 1HD1 LEU 28 -2.102 2.695 -4.422
194 HD12 LEU 28 2HD1 LEU 28 -2.824 1.215 -3.791
195 HD13 LEU 28 3HD1 LEU 28 -2.162 2.415 -2.681
196 HD21 LEU 28 3HD2 LEU 28 -4.569 3.025 -5.624
197 HD22 LEU 28 1HD2 LEU 28 -5.935 2.811 -4.529
198 HD23 LEU 28 2HD2 LEU 28 -4.845 1.462 -4.852
199 H ALA 29 H ALA 29 -5.576 5.257 -1.294
200 HA ALA 29 HA ALA 29 -3.782 7.050 -2.508
201 HB1 ALA 29 3HB ALA 29 -5.719 8.593 -1.208
202 HB2 ALA 29 1HB ALA 29 -5.735 8.036 -2.881
203 HB3 ALA 29 2HB ALA 29 -6.517 7.076 -1.624
204 H SER 30 H SER 30 -4.179 6.114 0.762
205 HA SER 30 HA SER 30 -2.864 8.508 1.791
206 HB2 SER 30 1HB SER 30 -4.673 7.780 3.159
207 HB3 SER 30 2HB SER 30 -4.113 6.109 3.134
208 HG SER 30 HG SER 30 -3.055 6.592 4.872
209 H HIS 31 H HIS 31 -2.061 5.434 0.647
210 HA HIS 31 HA HIS 31 0.392 5.259 2.226
211 HB2 HIS 31 1HB HIS 31 -0.663 3.157 2.063
212 HB3 HIS 31 2HB HIS 31 -1.006 3.367 0.348
213 HD1 HIS 31 HD1 HIS 31 1.604 2.198 2.706
214 HD2 HIS 31 HD2 HIS 31 1.201 2.883 -1.372
215 HE1 HIS 31 HE1 HIS 31 3.581 1.070 1.636
216 H LEU 32 H LEU 32 -0.585 5.239 -1.201
217 HA LEU 32 HA LEU 32 1.749 5.209 -2.522
218 HB2 LEU 32 1HB LEU 32 -0.559 7.083 -3.003
219 HB3 LEU 32 2HB LEU 32 0.760 6.837 -4.146
220 HG LEU 32 HG LEU 32 -0.853 4.494 -3.229
221 HD11 LEU 32 1HD1 LEU 32 -2.550 6.070 -3.863
222 HD12 LEU 32 2HD1 LEU 32 -2.372 4.878 -5.149
223 HD13 LEU 32 3HD1 LEU 32 -1.673 6.487 -5.335
224 HD21 LEU 32 3HD2 LEU 32 1.281 4.860 -4.962
225 HD22 LEU 32 1HD2 LEU 32 -0.119 4.695 -6.022
226 HD23 LEU 32 2HD2 LEU 32 0.250 3.434 -4.845
227 H ARG 33 H ARG 33 0.669 7.746 -0.415
228 HA ARG 33 HA ARG 33 2.222 9.888 -1.214
229 HB2 ARG 33 1HB ARG 33 2.129 10.635 1.139
230 HB3 ARG 33 2HB ARG 33 0.565 10.090 0.547
231 HG2 ARG 33 1HG ARG 33 0.979 7.902 1.656
232 HG3 ARG 33 2HG ARG 33 2.445 8.591 2.356
233 HD2 ARG 33 1HD ARG 33 0.528 8.666 3.903
234 HD3 ARG 33 2HD ARG 33 1.149 10.270 3.513
235 HE ARG 33 HE ARG 33 -0.930 9.665 1.739
236 HH11 ARG 33 1HH1 ARG 33 -0.427 10.326 5.119
237 HH12 ARG 33 2HH1 ARG 33 -2.005 11.001 5.356
238 HH21 ARG 33 1HH2 ARG 33 -3.010 10.552 2.037
239 HH22 ARG 33 2HH2 ARG 33 -3.473 11.129 3.602
240 H ILE 34 H ILE 34 3.105 7.247 0.996
241 HA ILE 34 HA ILE 34 5.599 8.013 1.795
242 HB ILE 34 HB ILE 34 6.161 5.725 2.133
243 HG12 ILE 34 1HG1 ILE 34 3.878 4.862 0.366
244 HG13 ILE 34 2HG1 ILE 34 5.504 5.094 -0.268
245 HG21 ILE 34 1HG2 ILE 34 3.777 6.832 2.997
246 HG22 ILE 34 2HG2 ILE 34 3.327 5.215 2.459
247 HG23 ILE 34 3HG2 ILE 34 4.585 5.420 3.678
248 HD11 ILE 34 3HD1 ILE 34 6.252 3.467 1.544
249 HD12 ILE 34 1HD1 ILE 34 4.542 3.073 1.720
250 HD13 ILE 34 2HD1 ILE 34 5.353 2.813 0.175
251 H HIS 35 H HIS 35 4.613 7.047 -1.384
252 HA HIS 35 HA HIS 35 7.313 6.647 -2.344
253 HB2 HIS 35 1HB HIS 35 4.636 6.713 -3.744
254 HB3 HIS 35 2HB HIS 35 6.164 6.450 -4.581
255 HD1 HIS 35 HD1 HIS 35 7.356 4.177 -4.187
256 HD2 HIS 35 HD2 HIS 35 3.674 4.534 -2.296
257 HE1 HIS 35 HE1 HIS 35 6.740 1.847 -3.469
258 H THR 36 H THR 36 6.264 9.286 -1.238
259 HA THR 36 HA THR 36 6.454 11.058 -3.527
260 HB THR 36 HB THR 36 4.885 11.560 -1.672
261 HG1 THR 36 HG1 THR 36 5.900 13.812 -1.350
262 HG21 THR 36 3HG2 THR 36 7.401 12.089 -0.086
263 HG22 THR 36 1HG2 THR 36 6.281 10.755 0.184
264 HG23 THR 36 2HG2 THR 36 5.751 12.417 0.444
265 H GLY 37 H GLY 37 8.385 10.152 -0.712
266 HA2 GLY 37 1HA GLY 37 10.543 11.924 -1.626
267 HA3 GLY 37 2HA GLY 37 10.440 11.162 -0.045
268 H GLU 38 H GLU 38 10.091 8.548 -0.577
269 HA GLU 38 HA GLU 38 12.685 7.707 -1.310
270 HB2 GLU 38 1HB GLU 38 11.854 5.447 -1.017
271 HB3 GLU 38 2HB GLU 38 11.243 6.476 0.271
272 HG2 GLU 38 1HG GLU 38 9.132 6.711 -1.094
273 HG3 GLU 38 2HG GLU 38 9.759 5.415 -2.111
274 H LYS 39 H LYS 39 13.534 7.341 -3.243
275 HA LYS 39 HA LYS 39 12.324 7.857 -5.655
276 HB2 LYS 39 1HB LYS 39 14.732 6.313 -4.835
277 HB3 LYS 39 2HB LYS 39 14.168 6.111 -6.488
278 HG2 LYS 39 1HG LYS 39 15.684 7.824 -6.705
279 HG3 LYS 39 2HG LYS 39 14.166 8.707 -6.530
280 HD2 LYS 39 1HD LYS 39 15.690 9.796 -5.102
281 HD3 LYS 39 2HD LYS 39 14.688 8.802 -4.042
282 HE2 LYS 39 1HE LYS 39 16.999 8.594 -3.386
283 HE3 LYS 39 2HE LYS 39 16.447 7.066 -4.071
284 HZ1 LYS 39 3HZ LYS 39 17.464 8.516 -6.183
285 HZ2 LYS 39 1HZ LYS 39 18.175 7.177 -5.431
286 HZ3 LYS 39 2HZ LYS 39 18.569 8.741 -4.923
287 HA PRO 40 HA PRO 40 9.766 4.463 -6.746
288 HB2 PRO 40 1HB PRO 40 10.227 4.233 -9.412
289 HB3 PRO 40 2HB PRO 40 9.307 5.568 -8.707
290 HG2 PRO 40 1HG PRO 40 12.171 5.491 -9.574
291 HG3 PRO 40 2HG PRO 40 10.959 6.761 -9.827
292 HD2 PRO 40 1HD PRO 40 12.846 6.912 -7.891
293 HD3 PRO 40 2HD PRO 40 11.226 7.613 -7.702
294 H SER 41 H SER 41 10.220 2.466 -6.058
295 HA SER 41 HA SER 41 11.949 0.768 -7.621
296 HB2 SER 41 1HB SER 41 13.386 0.093 -5.740
297 HB3 SER 41 2HB SER 41 13.578 1.807 -6.103
298 HG SER 41 HG SER 41 13.333 1.267 -3.827
299 H GLY 42 H GLY 42 11.480 -1.400 -7.385
300 HA2 GLY 42 1HA GLY 42 9.667 -2.226 -5.249
301 HA3 GLY 42 2HA GLY 42 9.062 -2.353 -6.893
302 HA PRO 43 HA PRO 43 12.694 -5.527 -6.165
303 HB2 PRO 43 1HB PRO 43 12.813 -6.414 -3.602
304 HB3 PRO 43 2HB PRO 43 13.772 -5.051 -4.193
305 HG2 PRO 43 1HG PRO 43 11.210 -5.036 -2.644
306 HG3 PRO 43 2HG PRO 43 12.652 -4.026 -2.431
307 HD2 PRO 43 1HD PRO 43 10.435 -3.146 -3.711
308 HD3 PRO 43 2HD PRO 43 12.068 -2.608 -4.151
309 H SER 44 H SER 44 12.562 -7.907 -5.099
310 HA SER 44 HA SER 44 9.855 -8.829 -5.732
311 HB2 SER 44 1HB SER 44 12.538 -10.207 -5.681
312 HB3 SER 44 2HB SER 44 11.026 -11.106 -5.808
313 HG SER 44 HG SER 44 10.602 -9.619 -7.654
314 H SER 45 H SER 45 9.313 -10.981 -4.514
315 HA SER 45 HA SER 45 8.607 -11.920 -2.565
316 HB2 SER 45 1HB SER 45 11.365 -10.978 -1.831
317 HB3 SER 45 2HB SER 45 10.327 -11.735 -0.623
318 HG SER 45 HG SER 45 10.340 -13.601 -1.764
319 H GLY 46 H GLY 46 7.566 -9.406 -3.114
320 HA2 GLY 46 1HA GLY 46 5.993 -8.490 -1.371
321 HA3 GLY 46 2HA GLY 46 7.445 -8.157 -0.440
Start of MODEL 12
1 H1 GLY 1 H GLY 1 8.392 -19.027 0.732
2 HA2 GLY 1 1HA GLY 1 10.049 -19.504 -1.665
3 HA3 GLY 1 2HA GLY 1 8.758 -20.565 -1.119
4 H SER 2 H SER 2 8.763 -19.787 -3.708
5 HA SER 2 HA SER 2 6.729 -17.663 -3.855
6 HB2 SER 2 1HB SER 2 7.357 -17.504 -6.265
7 HB3 SER 2 2HB SER 2 8.693 -17.136 -5.175
8 HG SER 2 HG SER 2 8.795 -19.718 -5.605
9 H SER 3 H SER 3 4.948 -18.961 -3.379
10 HA SER 3 HA SER 3 4.395 -21.428 -4.640
11 HB2 SER 3 1HB SER 3 2.076 -21.077 -3.791
12 HB3 SER 3 2HB SER 3 3.308 -20.845 -2.551
13 HG SER 3 HG SER 3 1.478 -19.195 -2.963
14 H GLY 4 H GLY 4 3.063 -18.168 -5.217
15 HA2 GLY 4 1HA GLY 4 3.004 -17.501 -7.622
16 HA3 GLY 4 2HA GLY 4 2.311 -19.088 -7.925
17 H SER 5 H SER 5 0.156 -19.481 -7.426
18 HA SER 5 HA SER 5 -1.457 -17.058 -7.151
19 HB2 SER 5 1HB SER 5 -2.053 -19.849 -8.118
20 HB3 SER 5 2HB SER 5 -3.345 -18.707 -7.750
21 HG SER 5 HG SER 5 -2.610 -17.367 -9.347
22 H SER 6 H SER 6 -1.254 -16.693 -4.927
23 HA SER 6 HA SER 6 -2.603 -18.684 -3.222
24 HB2 SER 6 1HB SER 6 -0.370 -18.592 -2.449
25 HB3 SER 6 2HB SER 6 -0.294 -16.839 -2.625
26 HG SER 6 HG SER 6 -0.771 -18.052 -0.440
27 H GLY 7 H GLY 7 -4.423 -18.055 -2.257
28 HA2 GLY 7 1HA GLY 7 -5.301 -15.301 -2.590
29 HA3 GLY 7 2HA GLY 7 -6.278 -16.648 -2.023
30 H SER 8 H SER 8 -3.201 -15.298 -0.853
31 HA SER 8 HA SER 8 -4.247 -15.342 1.859
32 HB2 SER 8 1HB SER 8 -1.875 -14.619 2.429
33 HB3 SER 8 2HB SER 8 -2.033 -16.199 1.664
34 HG SER 8 HG SER 8 -0.899 -15.491 0.050
35 H GLY 9 H GLY 9 -5.792 -13.648 1.672
36 HA2 GLY 9 1HA GLY 9 -6.218 -11.466 2.472
37 HA3 GLY 9 2HA GLY 9 -4.581 -11.008 2.025
38 H GLU 10 H GLU 10 -7.857 -11.411 0.923
39 HA GLU 10 HA GLU 10 -7.239 -10.632 -1.794
40 HB2 GLU 10 1HB GLU 10 -9.650 -10.782 -2.169
41 HB3 GLU 10 2HB GLU 10 -9.048 -12.225 -1.365
42 HG2 GLU 10 1HG GLU 10 -9.800 -11.180 0.804
43 HG3 GLU 10 2HG GLU 10 -10.628 -9.969 -0.173
44 H LYS 11 H LYS 11 -7.041 -8.607 -2.458
45 HA LYS 11 HA LYS 11 -8.629 -6.501 -1.204
46 HB2 LYS 11 1HB LYS 11 -5.643 -6.661 -1.217
47 HB3 LYS 11 2HB LYS 11 -6.410 -5.085 -1.363
48 HG2 LYS 11 1HG LYS 11 -6.190 -5.177 0.891
49 HG3 LYS 11 2HG LYS 11 -7.766 -5.957 0.735
50 HD2 LYS 11 1HD LYS 11 -6.749 -8.140 0.876
51 HD3 LYS 11 2HD LYS 11 -5.134 -7.427 0.868
52 HE2 LYS 11 1HE LYS 11 -6.030 -6.142 2.969
53 HE3 LYS 11 2HE LYS 11 -7.186 -7.472 3.035
54 HZ1 LYS 11 3HZ LYS 11 -5.187 -8.980 2.925
55 HZ2 LYS 11 1HZ LYS 11 -5.381 -8.113 4.366
56 HZ3 LYS 11 2HZ LYS 11 -4.236 -7.614 3.226
57 HA PRO 12 HA PRO 12 -9.065 -5.608 -5.543
58 HB2 PRO 12 1HB PRO 12 -10.704 -3.467 -5.227
59 HB3 PRO 12 2HB PRO 12 -11.262 -5.136 -5.065
60 HG2 PRO 12 1HG PRO 12 -10.513 -3.174 -2.932
61 HG3 PRO 12 2HG PRO 12 -11.884 -4.297 -2.987
62 HD2 PRO 12 1HD PRO 12 -9.638 -4.809 -1.564
63 HD3 PRO 12 2HD PRO 12 -10.602 -6.093 -2.322
64 H PHE 13 H PHE 13 -7.861 -3.475 -3.083
65 HA PHE 13 HA PHE 13 -6.866 -1.592 -5.100
66 HB2 PHE 13 1HB PHE 13 -6.932 -1.366 -2.083
67 HB3 PHE 13 2HB PHE 13 -6.349 -0.122 -3.184
68 HD1 PHE 13 HD1 PHE 13 -7.901 1.129 -4.583
69 HD2 PHE 13 HD2 PHE 13 -9.277 -1.777 -1.794
70 HE1 PHE 13 HE1 PHE 13 -10.180 2.041 -4.761
71 HE2 PHE 13 HE2 PHE 13 -11.557 -0.871 -1.969
72 HZ PHE 13 HZ PHE 13 -12.012 1.040 -3.454
73 H LYS 14 H LYS 14 -4.789 -1.541 -5.669
74 HA LYS 14 HA LYS 14 -2.796 -2.793 -3.914
75 HB2 LYS 14 1HB LYS 14 -3.288 -4.488 -5.544
76 HB3 LYS 14 2HB LYS 14 -3.178 -3.328 -6.862
77 HG2 LYS 14 1HG LYS 14 -0.823 -3.130 -6.598
78 HG3 LYS 14 2HG LYS 14 -0.856 -4.046 -5.089
79 HD2 LYS 14 1HD LYS 14 -1.757 -5.212 -7.713
80 HD3 LYS 14 2HD LYS 14 -0.081 -5.293 -7.163
81 HE2 LYS 14 1HE LYS 14 -0.734 -6.518 -5.197
82 HE3 LYS 14 2HE LYS 14 -2.441 -6.317 -5.590
83 HZ1 LYS 14 3HZ LYS 14 -1.120 -8.497 -6.200
84 HZ2 LYS 14 1HZ LYS 14 -0.740 -7.604 -7.586
85 HZ3 LYS 14 2HZ LYS 14 -2.357 -7.903 -7.190
86 H CYS 15 H CYS 15 -0.729 -1.920 -4.023
87 HA CYS 15 HA CYS 15 -0.609 0.790 -5.002
88 HB2 CYS 15 1HB CYS 15 0.356 0.089 -2.804
89 HB3 CYS 15 2HB CYS 15 1.567 -0.842 -3.679
90 H LYS 16 H LYS 16 0.266 1.466 -6.848
91 HA LYS 16 HA LYS 16 1.345 -0.462 -8.701
92 HB2 LYS 16 1HB LYS 16 1.424 1.437 -10.272
93 HB3 LYS 16 2HB LYS 16 -0.157 1.265 -9.521
94 HG2 LYS 16 1HG LYS 16 0.168 3.141 -8.151
95 HG3 LYS 16 2HG LYS 16 1.905 3.171 -8.463
96 HD2 LYS 16 1HD LYS 16 1.166 4.879 -9.824
97 HD3 LYS 16 2HD LYS 16 1.161 3.514 -10.944
98 HE2 LYS 16 1HE LYS 16 -1.279 3.197 -10.285
99 HE3 LYS 16 2HE LYS 16 -1.171 4.789 -9.537
100 HZ1 LYS 16 3HZ LYS 16 -0.270 5.481 -11.843
101 HZ2 LYS 16 1HZ LYS 16 -1.937 5.277 -11.634
102 HZ3 LYS 16 2HZ LYS 16 -1.024 4.067 -12.385
103 H GLU 17 H GLU 17 2.632 1.431 -6.261
104 HA GLU 17 HA GLU 17 5.168 1.986 -7.536
105 HB2 GLU 17 1HB GLU 17 4.407 2.230 -4.621
106 HB3 GLU 17 2HB GLU 17 5.825 2.926 -5.394
107 HG2 GLU 17 1HG GLU 17 3.058 3.636 -6.289
108 HG3 GLU 17 2HG GLU 17 3.823 4.447 -4.924
109 H CYS 18 H CYS 18 4.320 0.183 -4.574
110 HA CYS 18 HA CYS 18 6.639 -1.552 -5.058
111 HB2 CYS 18 1HB CYS 18 6.355 -2.210 -2.670
112 HB3 CYS 18 2HB CYS 18 6.668 -0.491 -2.889
113 H GLY 19 H GLY 19 3.187 -1.661 -4.247
114 HA2 GLY 19 1HA GLY 19 1.956 -3.379 -5.611
115 HA3 GLY 19 2HA GLY 19 3.186 -4.504 -5.052
116 H LYS 20 H LYS 20 2.487 -2.317 -2.629
117 HA LYS 20 HA LYS 20 1.512 -4.157 -0.823
118 HB2 LYS 20 1HB LYS 20 2.304 -1.645 -0.568
119 HB3 LYS 20 2HB LYS 20 0.575 -1.329 -0.616
120 HG2 LYS 20 1HG LYS 20 0.266 -2.879 1.274
121 HG3 LYS 20 2HG LYS 20 2.015 -3.103 1.345
122 HD2 LYS 20 1HD LYS 20 2.292 -0.698 1.762
123 HD3 LYS 20 2HD LYS 20 0.539 -0.496 1.720
124 HE2 LYS 20 1HE LYS 20 2.052 -2.235 3.667
125 HE3 LYS 20 2HE LYS 20 1.422 -0.626 4.016
126 HZ1 LYS 20 3HZ LYS 20 -0.193 -3.008 3.282
127 HZ2 LYS 20 1HZ LYS 20 -0.813 -1.460 3.568
128 HZ3 LYS 20 2HZ LYS 20 -0.076 -2.321 4.823
129 H ALA 21 H ALA 21 -0.650 -4.186 0.238
130 HA ALA 21 HA ALA 21 -2.804 -3.872 -1.751
131 HB1 ALA 21 3HB ALA 21 -2.747 -6.144 -1.627
132 HB2 ALA 21 1HB ALA 21 -2.114 -6.151 0.019
133 HB3 ALA 21 2HB ALA 21 -3.822 -5.819 -0.268
134 H PHE 22 H PHE 22 -4.849 -3.246 -0.991
135 HA PHE 22 HA PHE 22 -5.082 -2.478 1.816
136 HB2 PHE 22 1HB PHE 22 -5.821 -0.481 -0.307
137 HB3 PHE 22 2HB PHE 22 -5.569 -0.215 1.415
138 HD1 PHE 22 HD1 PHE 22 -3.842 -0.970 -1.766
139 HD2 PHE 22 HD2 PHE 22 -3.458 0.370 2.256
140 HE1 PHE 22 HE1 PHE 22 -1.520 -0.295 -2.217
141 HE2 PHE 22 HE2 PHE 22 -1.135 1.049 1.811
142 HZ PHE 22 HZ PHE 22 -0.163 0.718 -0.428
143 H ARG 23 H ARG 23 -7.289 -1.954 2.445
144 HA ARG 23 HA ARG 23 -9.203 -3.531 0.899
145 HB2 ARG 23 1HB ARG 23 -9.099 -2.567 3.740
146 HB3 ARG 23 2HB ARG 23 -10.620 -3.098 3.035
147 HG2 ARG 23 1HG ARG 23 -8.138 -4.794 3.078
148 HG3 ARG 23 2HG ARG 23 -9.371 -4.831 4.340
149 HD2 ARG 23 1HD ARG 23 -9.913 -5.337 1.418
150 HD3 ARG 23 2HD ARG 23 -9.618 -6.607 2.605
151 HE ARG 23 HE ARG 23 -12.018 -5.022 2.305
152 HH11 ARG 23 1HH1 ARG 23 -10.160 -7.137 4.354
153 HH12 ARG 23 2HH1 ARG 23 -11.521 -7.616 5.314
154 HH21 ARG 23 1HH2 ARG 23 -13.817 -5.645 3.562
155 HH22 ARG 23 2HH2 ARG 23 -13.600 -6.768 4.862
156 H GLN 24 H GLN 24 -8.695 -0.279 2.139
157 HA GLN 24 HA GLN 24 -11.106 0.603 0.696
158 HB2 GLN 24 1HB GLN 24 -9.654 1.993 2.954
159 HB3 GLN 24 2HB GLN 24 -11.124 2.555 2.170
160 HG2 GLN 24 1HG GLN 24 -12.033 0.208 2.920
161 HG3 GLN 24 2HG GLN 24 -10.733 0.334 4.104
162 HE21 GLN 24 1HE2 GLN 24 -11.264 1.241 5.949
163 HE22 GLN 24 2HE2 GLN 24 -12.550 2.366 6.203
164 H ASN 25 H ASN 25 -11.000 2.454 -0.611
165 HA ASN 25 HA ASN 25 -8.629 2.747 -2.104
166 HB2 ASN 25 1HB ASN 25 -9.837 4.155 -3.473
167 HB3 ASN 25 2HB ASN 25 -11.149 3.285 -2.682
168 HD21 ASN 25 1HD2 ASN 25 -9.485 6.295 -2.999
169 HD22 ASN 25 2HD2 ASN 25 -10.610 7.253 -2.102
170 H ILE 26 H ILE 26 -9.892 4.437 0.668
171 HA ILE 26 HA ILE 26 -8.260 6.747 0.484
172 HB ILE 26 HB ILE 26 -10.228 6.786 1.880
173 HG12 ILE 26 1HG1 ILE 26 -7.836 6.913 3.719
174 HG13 ILE 26 2HG1 ILE 26 -8.169 8.135 2.497
175 HG21 ILE 26 1HG2 ILE 26 -8.851 4.653 3.507
176 HG22 ILE 26 2HG2 ILE 26 -10.328 5.491 3.982
177 HG23 ILE 26 3HG2 ILE 26 -10.318 4.467 2.546
178 HD11 ILE 26 3HD1 ILE 26 -10.333 8.581 3.572
179 HD12 ILE 26 1HD1 ILE 26 -9.929 7.407 4.824
180 HD13 ILE 26 2HD1 ILE 26 -8.964 8.872 4.644
181 H HIS 27 H HIS 27 -7.801 3.562 1.877
182 HA HIS 27 HA HIS 27 -5.493 4.149 3.400
183 HB2 HIS 27 1HB HIS 27 -6.769 1.659 2.354
184 HB3 HIS 27 2HB HIS 27 -5.120 1.565 2.963
185 HD1 HIS 27 HD1 HIS 27 -7.617 0.197 4.319
186 HD2 HIS 27 HD2 HIS 27 -5.883 3.789 5.482
187 HE1 HIS 27 HE1 HIS 27 -8.246 0.496 6.736
188 H LEU 28 H LEU 28 -5.896 2.810 0.131
189 HA LEU 28 HA LEU 28 -3.174 2.495 -0.453
190 HB2 LEU 28 1HB LEU 28 -4.632 1.403 -1.893
191 HB3 LEU 28 2HB LEU 28 -5.635 2.834 -2.118
192 HG LEU 28 HG LEU 28 -3.754 3.834 -3.440
193 HD11 LEU 28 1HD1 LEU 28 -2.623 1.117 -3.809
194 HD12 LEU 28 2HD1 LEU 28 -2.159 2.015 -2.364
195 HD13 LEU 28 3HD1 LEU 28 -1.855 2.698 -3.961
196 HD21 LEU 28 3HD2 LEU 28 -4.368 1.359 -4.891
197 HD22 LEU 28 1HD2 LEU 28 -4.691 3.040 -5.319
198 HD23 LEU 28 2HD2 LEU 28 -5.772 2.189 -4.215
199 H ALA 29 H ALA 29 -5.377 5.167 -1.293
200 HA ALA 29 HA ALA 29 -3.531 6.808 -2.569
201 HB1 ALA 29 3HB ALA 29 -6.197 7.079 -1.489
202 HB2 ALA 29 1HB ALA 29 -5.254 8.552 -1.260
203 HB3 ALA 29 2HB ALA 29 -5.457 7.876 -2.877
204 H SER 30 H SER 30 -4.275 6.476 0.865
205 HA SER 30 HA SER 30 -2.659 8.656 1.717
206 HB2 SER 30 1HB SER 30 -4.541 7.605 3.037
207 HB3 SER 30 2HB SER 30 -3.460 6.252 3.366
208 HG SER 30 HG SER 30 -1.990 8.101 4.096
209 H HIS 31 H HIS 31 -2.008 5.386 0.847
210 HA HIS 31 HA HIS 31 0.516 5.222 2.229
211 HB2 HIS 31 1HB HIS 31 -0.583 3.147 1.924
212 HB3 HIS 31 2HB HIS 31 -0.877 3.463 0.216
213 HD1 HIS 31 HD1 HIS 31 1.998 2.704 2.567
214 HD2 HIS 31 HD2 HIS 31 1.029 2.476 -1.467
215 HE1 HIS 31 HE1 HIS 31 3.905 1.473 1.486
216 H LEU 32 H LEU 32 -0.530 5.610 -1.144
217 HA LEU 32 HA LEU 32 1.856 5.607 -2.466
218 HB2 LEU 32 1HB LEU 32 -0.493 7.447 -2.885
219 HB3 LEU 32 2HB LEU 32 0.836 7.263 -4.028
220 HG LEU 32 HG LEU 32 -0.940 4.979 -3.190
221 HD11 LEU 32 1HD1 LEU 32 -2.554 6.081 -4.296
222 HD12 LEU 32 2HD1 LEU 32 -1.681 5.543 -5.730
223 HD13 LEU 32 3HD1 LEU 32 -1.415 7.166 -5.094
224 HD21 LEU 32 3HD2 LEU 32 0.171 4.772 -5.803
225 HD22 LEU 32 1HD2 LEU 32 0.447 3.742 -4.398
226 HD23 LEU 32 2HD2 LEU 32 1.467 5.156 -4.668
227 H ARG 33 H ARG 33 0.796 7.875 -0.119
228 HA ARG 33 HA ARG 33 2.178 10.178 -0.795
229 HB2 ARG 33 1HB ARG 33 1.867 9.094 2.007
230 HB3 ARG 33 2HB ARG 33 2.083 10.776 1.540
231 HG2 ARG 33 1HG ARG 33 -0.254 9.336 0.424
232 HG3 ARG 33 2HG ARG 33 -0.288 9.761 2.137
233 HD2 ARG 33 1HD ARG 33 0.524 12.098 1.179
234 HD3 ARG 33 2HD ARG 33 -0.299 11.510 -0.264
235 HE ARG 33 HE ARG 33 -1.961 11.185 1.993
236 HH11 ARG 33 1HH1 ARG 33 -0.680 13.644 -0.112
237 HH12 ARG 33 2HH1 ARG 33 -2.015 14.724 0.122
238 HH21 ARG 33 1HH2 ARG 33 -3.724 12.598 2.309
239 HH22 ARG 33 2HH2 ARG 33 -3.745 14.128 1.500
240 H ILE 34 H ILE 34 3.322 7.507 1.272
241 HA ILE 34 HA ILE 34 5.907 8.465 1.688
242 HB ILE 34 HB ILE 34 6.527 6.229 2.327
243 HG12 ILE 34 1HG1 ILE 34 3.912 5.093 1.440
244 HG13 ILE 34 2HG1 ILE 34 5.182 5.302 0.240
245 HG21 ILE 34 1HG2 ILE 34 3.975 7.398 3.176
246 HG22 ILE 34 2HG2 ILE 34 4.183 5.697 3.591
247 HG23 ILE 34 3HG2 ILE 34 5.366 6.888 4.132
248 HD11 ILE 34 3HD1 ILE 34 6.683 3.976 1.738
249 HD12 ILE 34 1HD1 ILE 34 5.269 3.629 2.733
250 HD13 ILE 34 2HD1 ILE 34 5.324 3.084 1.056
251 H HIS 35 H HIS 35 4.476 7.152 -1.129
252 HA HIS 35 HA HIS 35 7.013 6.403 -2.337
253 HB2 HIS 35 1HB HIS 35 4.136 6.167 -3.129
254 HB3 HIS 35 2HB HIS 35 5.378 6.076 -4.374
255 HD1 HIS 35 HD1 HIS 35 7.283 4.164 -3.859
256 HD2 HIS 35 HD2 HIS 35 3.628 3.799 -1.917
257 HE1 HIS 35 HE1 HIS 35 7.164 1.771 -3.093
258 H THR 36 H THR 36 4.611 8.955 -2.519
259 HA THR 36 HA THR 36 6.160 10.296 -4.619
260 HB THR 36 HB THR 36 3.720 10.057 -4.985
261 HG1 THR 36 HG1 THR 36 5.055 11.949 -5.699
262 HG21 THR 36 3HG2 THR 36 2.113 10.947 -3.600
263 HG22 THR 36 1HG2 THR 36 3.212 12.141 -2.911
264 HG23 THR 36 2HG2 THR 36 3.320 10.452 -2.414
265 H GLY 37 H GLY 37 7.197 12.200 -4.291
266 HA2 GLY 37 1HA GLY 37 6.908 14.287 -2.733
267 HA3 GLY 37 2HA GLY 37 7.379 13.114 -1.512
268 H GLU 38 H GLU 38 8.877 15.374 -1.880
269 HA GLU 38 HA GLU 38 10.988 16.132 -2.271
270 HB2 GLU 38 1HB GLU 38 11.517 13.162 -2.142
271 HB3 GLU 38 2HB GLU 38 12.788 14.376 -2.186
272 HG2 GLU 38 1HG GLU 38 11.480 15.351 -0.129
273 HG3 GLU 38 2HG GLU 38 10.886 13.696 -0.007
274 H LYS 39 H LYS 39 9.297 15.667 -4.573
275 HA LYS 39 HA LYS 39 11.176 14.787 -6.635
276 HB2 LYS 39 1HB LYS 39 8.405 15.727 -7.246
277 HB3 LYS 39 2HB LYS 39 9.364 14.490 -8.046
278 HG2 LYS 39 1HG LYS 39 8.378 14.097 -5.248
279 HG3 LYS 39 2HG LYS 39 7.340 13.770 -6.638
280 HD2 LYS 39 1HD LYS 39 10.079 12.613 -6.636
281 HD3 LYS 39 2HD LYS 39 8.875 11.895 -5.564
282 HE2 LYS 39 1HE LYS 39 8.524 10.652 -7.452
283 HE3 LYS 39 2HE LYS 39 7.388 11.970 -7.735
284 HZ1 LYS 39 3HZ LYS 39 9.866 12.749 -8.752
285 HZ2 LYS 39 1HZ LYS 39 8.448 12.411 -9.610
286 HZ3 LYS 39 2HZ LYS 39 9.569 11.181 -9.312
287 HA PRO 40 HA PRO 40 12.286 18.875 -7.814
288 HB2 PRO 40 1HB PRO 40 12.908 18.445 -10.422
289 HB3 PRO 40 2HB PRO 40 13.935 17.907 -9.088
290 HG2 PRO 40 1HG PRO 40 11.954 16.347 -10.702
291 HG3 PRO 40 2HG PRO 40 13.579 15.879 -10.170
292 HD2 PRO 40 1HD PRO 40 11.335 15.041 -8.907
293 HD3 PRO 40 2HD PRO 40 12.863 15.328 -8.050
294 H SER 41 H SER 41 11.974 20.194 -10.116
295 HA SER 41 HA SER 41 10.503 21.513 -11.246
296 HB2 SER 41 1HB SER 41 8.885 20.407 -12.583
297 HB3 SER 41 2HB SER 41 10.192 19.242 -12.378
298 HG SER 41 HG SER 41 7.623 19.260 -11.256
299 H GLY 42 H GLY 42 10.197 21.138 -8.297
300 HA2 GLY 42 1HA GLY 42 8.621 21.482 -6.616
301 HA3 GLY 42 2HA GLY 42 8.313 22.897 -7.612
302 HA PRO 43 HA PRO 43 5.009 19.474 -8.649
303 HB2 PRO 43 1HB PRO 43 4.613 17.675 -6.655
304 HB3 PRO 43 2HB PRO 43 5.753 17.406 -7.979
305 HG2 PRO 43 1HG PRO 43 6.279 18.354 -5.189
306 HG3 PRO 43 2HG PRO 43 7.183 17.178 -6.160
307 HD2 PRO 43 1HD PRO 43 7.994 19.743 -5.853
308 HD3 PRO 43 2HD PRO 43 8.298 18.816 -7.337
309 H SER 44 H SER 44 5.363 20.062 -5.146
310 HA SER 44 HA SER 44 2.661 21.241 -5.168
311 HB2 SER 44 1HB SER 44 2.818 19.091 -3.905
312 HB3 SER 44 2HB SER 44 3.998 19.849 -2.837
313 HG SER 44 HG SER 44 1.252 20.215 -3.005
314 H SER 45 H SER 45 5.843 21.328 -3.599
315 HA SER 45 HA SER 45 6.903 22.966 -2.404
316 HB2 SER 45 1HB SER 45 7.030 25.125 -3.575
317 HB3 SER 45 2HB SER 45 7.168 23.782 -4.710
318 HG SER 45 HG SER 45 4.621 24.804 -4.211
319 H GLY 46 H GLY 46 4.590 22.311 -1.128
320 HA2 GLY 46 1HA GLY 46 4.088 24.000 0.804
321 HA3 GLY 46 2HA GLY 46 3.229 24.827 -0.487
Start of MODEL 13
1 H1 GLY 1 H GLY 1 -8.021 -24.633 -17.923
2 HA2 GLY 1 1HA GLY 1 -5.404 -25.845 -18.559
3 HA3 GLY 1 2HA GLY 1 -5.615 -24.102 -18.500
4 H SER 2 H SER 2 -5.901 -23.073 -16.498
5 HA SER 2 HA SER 2 -5.302 -24.754 -14.153
6 HB2 SER 2 1HB SER 2 -3.281 -23.597 -14.571
7 HB3 SER 2 2HB SER 2 -4.124 -22.096 -14.953
8 HG SER 2 HG SER 2 -3.437 -23.174 -12.500
9 H SER 3 H SER 3 -6.500 -21.540 -15.118
10 HA SER 3 HA SER 3 -7.975 -20.121 -14.081
11 HB2 SER 3 1HB SER 3 -9.491 -22.733 -13.854
12 HB3 SER 3 2HB SER 3 -10.202 -21.122 -13.757
13 HG SER 3 HG SER 3 -9.421 -22.567 -15.950
14 H GLY 4 H GLY 4 -5.985 -20.885 -12.300
15 HA2 GLY 4 1HA GLY 4 -7.365 -20.471 -9.796
16 HA3 GLY 4 2HA GLY 4 -6.554 -22.026 -9.912
17 H SER 5 H SER 5 -4.207 -21.695 -10.922
18 HA SER 5 HA SER 5 -2.587 -20.647 -9.000
19 HB2 SER 5 1HB SER 5 -0.778 -20.663 -10.635
20 HB3 SER 5 2HB SER 5 -1.811 -22.071 -10.878
21 HG SER 5 HG SER 5 -2.910 -20.529 -12.457
22 H SER 6 H SER 6 -2.175 -18.682 -8.256
23 HA SER 6 HA SER 6 -2.401 -16.404 -8.025
24 HB2 SER 6 1HB SER 6 -0.257 -16.946 -9.436
25 HB3 SER 6 2HB SER 6 -1.157 -16.181 -10.746
26 HG SER 6 HG SER 6 0.262 -14.840 -9.276
27 H GLY 7 H GLY 7 -4.782 -17.464 -8.982
28 HA2 GLY 7 1HA GLY 7 -5.671 -15.300 -10.786
29 HA3 GLY 7 2HA GLY 7 -6.235 -16.952 -10.986
30 H SER 8 H SER 8 -5.786 -15.114 -7.991
31 HA SER 8 HA SER 8 -8.697 -15.095 -7.610
32 HB2 SER 8 1HB SER 8 -8.347 -15.770 -5.225
33 HB3 SER 8 2HB SER 8 -7.936 -17.035 -6.383
34 HG SER 8 HG SER 8 -6.119 -17.055 -5.316
35 H GLY 9 H GLY 9 -9.211 -13.012 -7.470
36 HA2 GLY 9 1HA GLY 9 -7.430 -10.944 -6.783
37 HA3 GLY 9 2HA GLY 9 -9.181 -10.802 -6.853
38 H GLU 10 H GLU 10 -6.599 -10.435 -4.879
39 HA GLU 10 HA GLU 10 -7.930 -11.336 -2.442
40 HB2 GLU 10 1HB GLU 10 -5.178 -10.242 -3.001
41 HB3 GLU 10 2HB GLU 10 -5.778 -10.488 -1.367
42 HG2 GLU 10 1HG GLU 10 -4.589 -12.420 -1.772
43 HG3 GLU 10 2HG GLU 10 -6.245 -12.901 -2.140
44 H LYS 11 H LYS 11 -6.317 -8.342 -3.525
45 HA LYS 11 HA LYS 11 -8.354 -6.823 -2.034
46 HB2 LYS 11 1HB LYS 11 -5.458 -6.022 -2.345
47 HB3 LYS 11 2HB LYS 11 -6.685 -5.203 -1.388
48 HG2 LYS 11 1HG LYS 11 -6.082 -8.045 -0.767
49 HG3 LYS 11 2HG LYS 11 -4.917 -6.809 -0.285
50 HD2 LYS 11 1HD LYS 11 -6.891 -5.589 0.766
51 HD3 LYS 11 2HD LYS 11 -7.797 -7.087 0.539
52 HE2 LYS 11 1HE LYS 11 -5.879 -8.226 1.782
53 HE3 LYS 11 2HE LYS 11 -5.369 -6.603 2.243
54 HZ1 LYS 11 3HZ LYS 11 -7.015 -6.428 3.723
55 HZ2 LYS 11 1HZ LYS 11 -7.128 -8.112 3.612
56 HZ3 LYS 11 2HZ LYS 11 -8.165 -7.134 2.702
57 HA PRO 12 HA PRO 12 -9.112 -4.898 -5.940
58 HB2 PRO 12 1HB PRO 12 -10.603 -2.820 -5.032
59 HB3 PRO 12 2HB PRO 12 -11.222 -4.472 -5.138
60 HG2 PRO 12 1HG PRO 12 -10.162 -2.996 -2.760
61 HG3 PRO 12 2HG PRO 12 -11.584 -4.048 -2.880
62 HD2 PRO 12 1HD PRO 12 -9.230 -4.894 -1.843
63 HD3 PRO 12 2HD PRO 12 -10.328 -5.974 -2.726
64 H PHE 13 H PHE 13 -7.840 -3.092 -3.194
65 HA PHE 13 HA PHE 13 -6.712 -1.098 -5.033
66 HB2 PHE 13 1HB PHE 13 -7.007 -1.005 -2.023
67 HB3 PHE 13 2HB PHE 13 -6.348 0.284 -3.024
68 HD1 PHE 13 HD1 PHE 13 -7.836 1.439 -4.664
69 HD2 PHE 13 HD2 PHE 13 -9.326 -1.266 -1.734
70 HE1 PHE 13 HE1 PHE 13 -10.097 2.361 -4.967
71 HE2 PHE 13 HE2 PHE 13 -11.589 -0.349 -2.033
72 HZ PHE 13 HZ PHE 13 -11.978 1.467 -3.652
73 H LYS 14 H LYS 14 -4.635 -1.211 -5.540
74 HA LYS 14 HA LYS 14 -2.730 -2.315 -3.612
75 HB2 LYS 14 1HB LYS 14 -3.146 -4.234 -4.936
76 HB3 LYS 14 2HB LYS 14 -3.157 -3.300 -6.427
77 HG2 LYS 14 1HG LYS 14 -0.885 -3.238 -6.572
78 HG3 LYS 14 2HG LYS 14 -0.660 -3.325 -4.823
79 HD2 LYS 14 1HD LYS 14 -0.820 -5.611 -4.779
80 HD3 LYS 14 2HD LYS 14 -1.842 -5.675 -6.216
81 HE2 LYS 14 1HE LYS 14 1.083 -4.946 -6.244
82 HE3 LYS 14 2HE LYS 14 0.465 -6.569 -6.548
83 HZ1 LYS 14 3HZ LYS 14 -0.662 -4.387 -8.127
84 HZ2 LYS 14 1HZ LYS 14 -0.338 -5.988 -8.570
85 HZ3 LYS 14 2HZ LYS 14 0.922 -4.862 -8.487
86 H CYS 15 H CYS 15 -0.586 -1.600 -3.886
87 HA CYS 15 HA CYS 15 -0.385 0.980 -5.172
88 HB2 CYS 15 1HB CYS 15 0.581 0.461 -2.903
89 HB3 CYS 15 2HB CYS 15 1.778 -0.544 -3.713
90 H LYS 16 H LYS 16 0.625 1.450 -7.031
91 HA LYS 16 HA LYS 16 1.547 -0.740 -8.682
92 HB2 LYS 16 1HB LYS 16 0.111 1.191 -9.496
93 HB3 LYS 16 2HB LYS 16 1.550 2.196 -9.376
94 HG2 LYS 16 1HG LYS 16 1.473 1.569 -11.614
95 HG3 LYS 16 2HG LYS 16 2.659 0.472 -10.904
96 HD2 LYS 16 1HD LYS 16 1.386 -1.005 -12.118
97 HD3 LYS 16 2HD LYS 16 0.558 -1.067 -10.560
98 HE2 LYS 16 1HE LYS 16 -1.067 0.582 -11.374
99 HE3 LYS 16 2HE LYS 16 -0.245 0.616 -12.933
100 HZ1 LYS 16 3HZ LYS 16 -2.068 -0.834 -13.164
101 HZ2 LYS 16 1HZ LYS 16 -1.730 -1.639 -11.715
102 HZ3 LYS 16 2HZ LYS 16 -0.708 -1.835 -13.048
103 H GLU 17 H GLU 17 2.951 1.291 -6.439
104 HA GLU 17 HA GLU 17 5.515 1.547 -7.768
105 HB2 GLU 17 1HB GLU 17 4.554 2.326 -5.014
106 HB3 GLU 17 2HB GLU 17 6.208 2.559 -5.561
107 HG2 GLU 17 1HG GLU 17 5.382 4.606 -6.050
108 HG3 GLU 17 2HG GLU 17 4.985 3.787 -7.559
109 H CYS 18 H CYS 18 4.557 0.215 -4.598
110 HA CYS 18 HA CYS 18 6.794 -1.666 -4.776
111 HB2 CYS 18 1HB CYS 18 6.283 -2.081 -2.353
112 HB3 CYS 18 2HB CYS 18 6.750 -0.425 -2.724
113 H GLY 19 H GLY 19 3.315 -1.642 -4.010
114 HA2 GLY 19 1HA GLY 19 2.081 -3.426 -5.319
115 HA3 GLY 19 2HA GLY 19 3.262 -4.529 -4.629
116 H LYS 20 H LYS 20 2.576 -2.161 -2.396
117 HA LYS 20 HA LYS 20 1.440 -3.853 -0.522
118 HB2 LYS 20 1HB LYS 20 2.417 -1.395 -0.365
119 HB3 LYS 20 2HB LYS 20 0.716 -0.958 -0.462
120 HG2 LYS 20 1HG LYS 20 0.929 -1.102 1.790
121 HG3 LYS 20 2HG LYS 20 0.516 -2.783 1.444
122 HD2 LYS 20 1HD LYS 20 3.385 -1.982 1.405
123 HD3 LYS 20 2HD LYS 20 2.580 -2.163 2.965
124 HE2 LYS 20 1HE LYS 20 1.765 -4.429 1.884
125 HE3 LYS 20 2HE LYS 20 3.206 -4.207 0.893
126 HZ1 LYS 20 3HZ LYS 20 3.662 -3.787 3.702
127 HZ2 LYS 20 1HZ LYS 20 4.535 -4.718 2.591
128 HZ3 LYS 20 2HZ LYS 20 3.158 -5.360 3.335
129 H ALA 21 H ALA 21 -0.585 -4.484 -0.001
130 HA ALA 21 HA ALA 21 -2.715 -3.762 -1.876
131 HB1 ALA 21 3HB ALA 21 -3.076 -5.882 0.179
132 HB2 ALA 21 1HB ALA 21 -3.675 -5.798 -1.478
133 HB3 ALA 21 2HB ALA 21 -1.984 -6.193 -1.170
134 H PHE 22 H PHE 22 -4.859 -3.304 -1.090
135 HA PHE 22 HA PHE 22 -5.094 -2.491 1.698
136 HB2 PHE 22 1HB PHE 22 -5.910 -0.525 -0.422
137 HB3 PHE 22 2HB PHE 22 -5.618 -0.245 1.291
138 HD1 PHE 22 HD1 PHE 22 -3.996 -0.885 -1.956
139 HD2 PHE 22 HD2 PHE 22 -3.463 0.297 2.098
140 HE1 PHE 22 HE1 PHE 22 -1.702 -0.161 -2.473
141 HE2 PHE 22 HE2 PHE 22 -1.168 1.024 1.588
142 HZ PHE 22 HZ PHE 22 -0.285 0.796 -0.700
143 H ARG 23 H ARG 23 -7.296 -2.088 2.357
144 HA ARG 23 HA ARG 23 -9.183 -3.672 0.783
145 HB2 ARG 23 1HB ARG 23 -9.261 -2.693 3.640
146 HB3 ARG 23 2HB ARG 23 -10.572 -3.578 2.872
147 HG2 ARG 23 1HG ARG 23 -9.367 -5.551 2.785
148 HG3 ARG 23 2HG ARG 23 -7.814 -4.724 2.929
149 HD2 ARG 23 1HD ARG 23 -8.338 -5.876 4.995
150 HD3 ARG 23 2HD ARG 23 -8.366 -4.131 5.250
151 HE ARG 23 HE ARG 23 -10.959 -4.806 4.687
152 HH11 ARG 23 1HH1 ARG 23 -8.596 -5.770 7.054
153 HH12 ARG 23 2HH1 ARG 23 -9.772 -6.125 8.275
154 HH21 ARG 23 1HH2 ARG 23 -12.518 -5.269 6.286
155 HH22 ARG 23 2HH2 ARG 23 -12.003 -5.840 7.837
156 H GLN 24 H GLN 24 -8.700 -0.442 2.054
157 HA GLN 24 HA GLN 24 -11.171 0.416 0.697
158 HB2 GLN 24 1HB GLN 24 -9.753 1.699 3.039
159 HB3 GLN 24 2HB GLN 24 -11.183 2.343 2.244
160 HG2 GLN 24 1HG GLN 24 -11.049 -0.322 3.636
161 HG3 GLN 24 2HG GLN 24 -11.671 1.163 4.355
162 HE21 GLN 24 1HE2 GLN 24 -12.820 -1.544 3.481
163 HE22 GLN 24 2HE2 GLN 24 -14.253 -1.109 2.619
164 H ASN 25 H ASN 25 -11.110 2.614 -0.220
165 HA ASN 25 HA ASN 25 -8.811 2.943 -1.872
166 HB2 ASN 25 1HB ASN 25 -10.051 5.085 -2.560
167 HB3 ASN 25 2HB ASN 25 -10.853 3.550 -2.877
168 HD21 ASN 25 1HD2 ASN 25 -12.652 2.972 -1.672
169 HD22 ASN 25 2HD2 ASN 25 -13.524 4.115 -0.713
170 H ILE 26 H ILE 26 -10.102 4.642 0.940
171 HA ILE 26 HA ILE 26 -8.324 6.818 0.920
172 HB ILE 26 HB ILE 26 -10.241 6.989 2.306
173 HG12 ILE 26 1HG1 ILE 26 -7.968 6.571 4.248
174 HG13 ILE 26 2HG1 ILE 26 -8.042 7.949 3.155
175 HG21 ILE 26 1HG2 ILE 26 -9.514 4.283 3.076
176 HG22 ILE 26 2HG2 ILE 26 -9.961 5.286 4.455
177 HG23 ILE 26 3HG2 ILE 26 -11.083 5.087 3.110
178 HD11 ILE 26 3HD1 ILE 26 -9.748 8.935 4.294
179 HD12 ILE 26 1HD1 ILE 26 -10.389 7.403 4.887
180 HD13 ILE 26 2HD1 ILE 26 -8.940 8.095 5.616
181 H HIS 27 H HIS 27 -7.857 3.520 1.725
182 HA HIS 27 HA HIS 27 -5.587 3.932 3.447
183 HB2 HIS 27 1HB HIS 27 -6.886 1.528 2.201
184 HB3 HIS 27 2HB HIS 27 -5.306 1.389 2.968
185 HD1 HIS 27 HD1 HIS 27 -6.350 -0.162 4.784
186 HD2 HIS 27 HD2 HIS 27 -7.893 3.695 4.708
187 HE1 HIS 27 HE1 HIS 27 -7.619 0.098 6.940
188 H LEU 28 H LEU 28 -6.086 2.891 0.090
189 HA LEU 28 HA LEU 28 -3.355 2.502 -0.514
190 HB2 LEU 28 1HB LEU 28 -4.808 1.473 -1.991
191 HB3 LEU 28 2HB LEU 28 -5.838 2.896 -2.127
192 HG LEU 28 HG LEU 28 -3.962 3.984 -3.420
193 HD11 LEU 28 1HD1 LEU 28 -2.173 2.739 -4.235
194 HD12 LEU 28 2HD1 LEU 28 -2.927 1.201 -3.818
195 HD13 LEU 28 3HD1 LEU 28 -2.288 2.243 -2.547
196 HD21 LEU 28 3HD2 LEU 28 -5.956 3.084 -4.501
197 HD22 LEU 28 1HD2 LEU 28 -5.207 1.489 -4.571
198 HD23 LEU 28 2HD2 LEU 28 -4.523 2.825 -5.497
199 H ALA 29 H ALA 29 -5.540 5.233 -1.187
200 HA ALA 29 HA ALA 29 -3.707 6.901 -2.450
201 HB1 ALA 29 3HB ALA 29 -5.875 7.645 -2.628
202 HB2 ALA 29 1HB ALA 29 -6.223 7.378 -0.920
203 HB3 ALA 29 2HB ALA 29 -5.233 8.752 -1.414
204 H SER 30 H SER 30 -4.313 6.372 0.977
205 HA SER 30 HA SER 30 -2.650 8.513 1.876
206 HB2 SER 30 1HB SER 30 -4.536 7.379 3.179
207 HB3 SER 30 2HB SER 30 -3.394 6.071 3.486
208 HG SER 30 HG SER 30 -3.645 8.220 4.890
209 H HIS 31 H HIS 31 -2.100 5.257 0.875
210 HA HIS 31 HA HIS 31 0.470 5.012 2.162
211 HB2 HIS 31 1HB HIS 31 -0.648 2.957 1.883
212 HB3 HIS 31 2HB HIS 31 -1.068 3.314 0.211
213 HD1 HIS 31 HD1 HIS 31 1.600 1.863 2.326
214 HD2 HIS 31 HD2 HIS 31 1.054 2.941 -1.650
215 HE1 HIS 31 HE1 HIS 31 3.492 0.782 1.070
216 H LEU 32 H LEU 32 -0.639 5.257 -1.218
217 HA LEU 32 HA LEU 32 1.665 5.291 -2.608
218 HB2 LEU 32 1HB LEU 32 -0.603 7.247 -2.946
219 HB3 LEU 32 2HB LEU 32 0.637 6.915 -4.153
220 HG LEU 32 HG LEU 32 -1.238 4.799 -3.122
221 HD11 LEU 32 1HD1 LEU 32 -1.630 6.862 -5.235
222 HD12 LEU 32 2HD1 LEU 32 -2.784 6.196 -4.080
223 HD13 LEU 32 3HD1 LEU 32 -2.285 5.243 -5.477
224 HD21 LEU 32 3HD2 LEU 32 -0.108 3.426 -4.452
225 HD22 LEU 32 1HD2 LEU 32 1.066 4.717 -4.710
226 HD23 LEU 32 2HD2 LEU 32 -0.289 4.523 -5.822
227 H ARG 33 H ARG 33 0.673 7.661 -0.293
228 HA ARG 33 HA ARG 33 2.111 9.898 -0.988
229 HB2 ARG 33 1HB ARG 33 1.876 8.810 1.821
230 HB3 ARG 33 2HB ARG 33 2.135 10.486 1.357
231 HG2 ARG 33 1HG ARG 33 -0.288 9.149 0.305
232 HG3 ARG 33 2HG ARG 33 -0.251 9.537 2.026
233 HD2 ARG 33 1HD ARG 33 0.243 11.487 -0.223
234 HD3 ARG 33 2HD ARG 33 -1.262 11.333 0.683
235 HE ARG 33 HE ARG 33 1.147 12.648 1.533
236 HH11 ARG 33 1HH1 ARG 33 -1.766 11.057 2.584
237 HH12 ARG 33 2HH1 ARG 33 -1.803 11.854 4.122
238 HH21 ARG 33 1HH2 ARG 33 1.110 13.704 3.555
239 HH22 ARG 33 2HH2 ARG 33 -0.166 13.360 4.673
240 H ILE 34 H ILE 34 3.281 7.198 1.027
241 HA ILE 34 HA ILE 34 5.854 8.023 1.486
242 HB ILE 34 HB ILE 34 6.478 5.744 1.820
243 HG12 ILE 34 1HG1 ILE 34 3.957 4.847 0.427
244 HG13 ILE 34 2HG1 ILE 34 5.494 5.002 -0.418
245 HG21 ILE 34 1HG2 ILE 34 4.718 4.960 3.280
246 HG22 ILE 34 2HG2 ILE 34 4.865 6.711 3.413
247 HG23 ILE 34 3HG2 ILE 34 3.548 6.006 2.477
248 HD11 ILE 34 3HD1 ILE 34 4.943 2.700 0.347
249 HD12 ILE 34 1HD1 ILE 34 6.488 3.317 0.933
250 HD13 ILE 34 2HD1 ILE 34 5.090 3.276 2.007
251 H HIS 35 H HIS 35 4.448 7.202 -1.515
252 HA HIS 35 HA HIS 35 7.097 6.975 -2.776
253 HB2 HIS 35 1HB HIS 35 4.414 6.220 -3.947
254 HB3 HIS 35 2HB HIS 35 5.996 5.904 -4.652
255 HD1 HIS 35 HD1 HIS 35 7.560 4.265 -3.088
256 HD2 HIS 35 HD2 HIS 35 3.453 4.168 -2.466
257 HE1 HIS 35 HE1 HIS 35 7.115 2.110 -1.870
258 H THR 36 H THR 36 4.152 8.816 -2.651
259 HA THR 36 HA THR 36 5.016 10.492 -4.894
260 HB THR 36 HB THR 36 2.720 11.619 -4.393
261 HG1 THR 36 HG1 THR 36 1.260 10.244 -3.351
262 HG21 THR 36 3HG2 THR 36 3.316 9.045 -5.746
263 HG22 THR 36 1HG2 THR 36 2.716 10.562 -6.415
264 HG23 THR 36 2HG2 THR 36 1.619 9.484 -5.551
265 H GLY 37 H GLY 37 6.556 10.653 -2.548
266 HA2 GLY 37 1HA GLY 37 5.700 13.161 -1.280
267 HA3 GLY 37 2HA GLY 37 6.945 12.078 -0.675
268 H GLU 38 H GLU 38 8.112 11.860 -3.422
269 HA GLU 38 HA GLU 38 9.684 14.322 -3.275
270 HB2 GLU 38 1HB GLU 38 10.227 11.799 -4.848
271 HB3 GLU 38 2HB GLU 38 11.334 13.146 -4.625
272 HG2 GLU 38 1HG GLU 38 10.286 11.795 -2.202
273 HG3 GLU 38 2HG GLU 38 11.488 10.948 -3.175
274 H LYS 39 H LYS 39 6.949 13.699 -4.665
275 HA LYS 39 HA LYS 39 7.557 14.384 -7.417
276 HB2 LYS 39 1HB LYS 39 5.646 12.836 -6.502
277 HB3 LYS 39 2HB LYS 39 4.783 14.353 -6.288
278 HG2 LYS 39 1HG LYS 39 4.140 13.474 -8.388
279 HG3 LYS 39 2HG LYS 39 5.218 14.834 -8.709
280 HD2 LYS 39 1HD LYS 39 6.902 13.492 -9.487
281 HD3 LYS 39 2HD LYS 39 6.412 12.118 -8.492
282 HE2 LYS 39 1HE LYS 39 4.585 11.626 -9.953
283 HE3 LYS 39 2HE LYS 39 4.832 13.121 -10.854
284 HZ1 LYS 39 3HZ LYS 39 6.604 12.269 -11.965
285 HZ2 LYS 39 1HZ LYS 39 5.753 10.830 -11.711
286 HZ3 LYS 39 2HZ LYS 39 7.058 11.228 -10.711
287 HA PRO 40 HA PRO 40 7.314 18.748 -6.734
288 HB2 PRO 40 1HB PRO 40 7.142 19.496 -9.338
289 HB3 PRO 40 2HB PRO 40 8.648 18.949 -8.593
290 HG2 PRO 40 1HG PRO 40 6.719 17.428 -10.304
291 HG3 PRO 40 2HG PRO 40 8.492 17.435 -10.352
292 HD2 PRO 40 1HD PRO 40 7.074 15.457 -9.165
293 HD3 PRO 40 2HD PRO 40 8.670 15.970 -8.581
294 H SER 41 H SER 41 4.881 16.814 -8.179
295 HA SER 41 HA SER 41 3.011 18.979 -8.600
296 HB2 SER 41 1HB SER 41 2.814 15.980 -8.852
297 HB3 SER 41 2HB SER 41 1.407 17.028 -9.032
298 HG SER 41 HG SER 41 3.711 16.852 -10.641
299 H GLY 42 H GLY 42 1.072 19.296 -7.447
300 HA2 GLY 42 1HA GLY 42 -0.440 18.823 -5.666
301 HA3 GLY 42 2HA GLY 42 0.825 17.887 -4.882
302 HA PRO 43 HA PRO 43 0.587 22.474 -3.459
303 HB2 PRO 43 1HB PRO 43 -1.121 22.260 -1.359
304 HB3 PRO 43 2HB PRO 43 -1.656 22.662 -2.995
305 HG2 PRO 43 1HG PRO 43 -1.716 20.027 -1.575
306 HG3 PRO 43 2HG PRO 43 -2.959 20.778 -2.593
307 HD2 PRO 43 1HD PRO 43 -1.305 18.839 -3.506
308 HD3 PRO 43 2HD PRO 43 -1.925 20.135 -4.550
309 H SER 44 H SER 44 1.552 23.259 -1.513
310 HA SER 44 HA SER 44 2.935 21.153 0.005
311 HB2 SER 44 1HB SER 44 3.724 23.885 -0.901
312 HB3 SER 44 2HB SER 44 4.410 23.282 0.607
313 HG SER 44 HG SER 44 4.752 21.296 -0.905
314 H SER 45 H SER 45 0.329 21.769 0.744
315 HA SER 45 HA SER 45 -0.940 22.279 2.562
316 HB2 SER 45 1HB SER 45 1.808 22.113 3.759
317 HB3 SER 45 2HB SER 45 0.439 22.610 4.754
318 HG SER 45 HG SER 45 0.673 20.385 4.890
319 H GLY 46 H GLY 46 -0.504 24.378 0.857
320 HA2 GLY 46 1HA GLY 46 0.351 26.702 2.355
321 HA3 GLY 46 2HA GLY 46 -0.276 26.688 0.714
Start of MODEL 14
1 H1 GLY 1 H GLY 1 6.179 -29.158 10.858
2 HA2 GLY 1 1HA GLY 1 6.978 -27.919 8.332
3 HA3 GLY 1 2HA GLY 1 5.379 -28.533 8.728
4 H SER 2 H SER 2 7.422 -25.795 8.631
5 HA SER 2 HA SER 2 6.325 -24.034 10.429
6 HB2 SER 2 1HB SER 2 7.500 -23.666 7.693
7 HB3 SER 2 2HB SER 2 6.813 -22.282 8.544
8 HG SER 2 HG SER 2 8.683 -23.986 9.792
9 H SER 3 H SER 3 4.244 -23.671 10.807
10 HA SER 3 HA SER 3 2.384 -23.544 8.535
11 HB2 SER 3 1HB SER 3 1.969 -24.106 11.470
12 HB3 SER 3 2HB SER 3 0.627 -23.730 10.389
13 HG SER 3 HG SER 3 1.822 -25.533 9.086
14 H GLY 4 H GLY 4 0.880 -21.839 8.366
15 HA2 GLY 4 1HA GLY 4 0.907 -19.626 10.187
16 HA3 GLY 4 2HA GLY 4 1.808 -19.283 8.717
17 H SER 5 H SER 5 -0.459 -17.841 9.489
18 HA SER 5 HA SER 5 -2.478 -18.743 7.543
19 HB2 SER 5 1HB SER 5 -3.247 -18.539 9.916
20 HB3 SER 5 2HB SER 5 -2.876 -16.817 9.844
21 HG SER 5 HG SER 5 -5.017 -18.187 8.842
22 H SER 6 H SER 6 -1.388 -17.807 5.768
23 HA SER 6 HA SER 6 -0.901 -14.947 5.771
24 HB2 SER 6 1HB SER 6 -0.566 -17.010 3.578
25 HB3 SER 6 2HB SER 6 -0.053 -15.325 3.477
26 HG SER 6 HG SER 6 1.738 -16.279 4.174
27 H GLY 7 H GLY 7 -1.748 -13.582 4.005
28 HA2 GLY 7 1HA GLY 7 -3.538 -12.610 2.946
29 HA3 GLY 7 2HA GLY 7 -3.902 -14.231 2.372
30 H SER 8 H SER 8 -4.331 -12.067 5.149
31 HA SER 8 HA SER 8 -6.641 -13.633 6.016
32 HB2 SER 8 1HB SER 8 -5.265 -11.266 7.311
33 HB3 SER 8 2HB SER 8 -6.600 -12.177 8.016
34 HG SER 8 HG SER 8 -5.218 -13.616 8.649
35 H GLY 9 H GLY 9 -7.085 -12.432 3.598
36 HA2 GLY 9 1HA GLY 9 -9.464 -11.380 3.499
37 HA3 GLY 9 2HA GLY 9 -8.618 -9.993 4.170
38 H GLU 10 H GLU 10 -10.033 -10.099 1.675
39 HA GLU 10 HA GLU 10 -7.901 -10.024 -0.328
40 HB2 GLU 10 1HB GLU 10 -9.725 -9.846 -1.970
41 HB3 GLU 10 2HB GLU 10 -9.905 -11.260 -0.940
42 HG2 GLU 10 1HG GLU 10 -11.606 -10.164 0.356
43 HG3 GLU 10 2HG GLU 10 -11.362 -8.660 -0.530
44 H LYS 11 H LYS 11 -7.552 -8.202 -1.653
45 HA LYS 11 HA LYS 11 -8.799 -5.689 -0.832
46 HB2 LYS 11 1HB LYS 11 -5.892 -6.365 -0.616
47 HB3 LYS 11 2HB LYS 11 -6.363 -4.715 -1.002
48 HG2 LYS 11 1HG LYS 11 -6.244 -4.564 1.262
49 HG3 LYS 11 2HG LYS 11 -7.935 -5.041 1.089
50 HD2 LYS 11 1HD LYS 11 -7.037 -7.454 1.285
51 HD3 LYS 11 2HD LYS 11 -5.581 -6.696 1.934
52 HE2 LYS 11 1HE LYS 11 -6.913 -5.619 3.674
53 HE3 LYS 11 2HE LYS 11 -8.377 -6.346 3.014
54 HZ1 LYS 11 3HZ LYS 11 -7.813 -7.765 4.726
55 HZ2 LYS 11 1HZ LYS 11 -6.149 -7.644 4.440
56 HZ3 LYS 11 2HZ LYS 11 -7.124 -8.544 3.391
57 HA PRO 12 HA PRO 12 -8.820 -5.516 -5.303
58 HB2 PRO 12 1HB PRO 12 -10.328 -3.265 -5.458
59 HB3 PRO 12 2HB PRO 12 -11.014 -4.860 -5.126
60 HG2 PRO 12 1HG PRO 12 -10.337 -2.655 -3.218
61 HG3 PRO 12 2HG PRO 12 -11.771 -3.697 -3.260
62 HD2 PRO 12 1HD PRO 12 -9.712 -4.121 -1.554
63 HD3 PRO 12 2HD PRO 12 -10.686 -5.446 -2.223
64 H PHE 13 H PHE 13 -7.909 -2.940 -3.097
65 HA PHE 13 HA PHE 13 -6.600 -1.424 -5.201
66 HB2 PHE 13 1HB PHE 13 -6.776 -0.948 -2.219
67 HB3 PHE 13 2HB PHE 13 -6.030 0.154 -3.371
68 HD1 PHE 13 HD1 PHE 13 -7.407 1.363 -5.002
69 HD2 PHE 13 HD2 PHE 13 -9.144 -1.095 -1.992
70 HE1 PHE 13 HE1 PHE 13 -9.587 2.438 -5.386
71 HE2 PHE 13 HE2 PHE 13 -11.326 -0.024 -2.371
72 HZ PHE 13 HZ PHE 13 -11.550 1.745 -4.071
73 H LYS 14 H LYS 14 -4.484 -1.457 -5.653
74 HA LYS 14 HA LYS 14 -2.625 -2.671 -3.744
75 HB2 LYS 14 1HB LYS 14 -3.345 -4.436 -5.340
76 HB3 LYS 14 2HB LYS 14 -2.745 -3.446 -6.664
77 HG2 LYS 14 1HG LYS 14 -0.518 -3.527 -5.250
78 HG3 LYS 14 2HG LYS 14 -1.252 -5.007 -4.629
79 HD2 LYS 14 1HD LYS 14 -0.019 -5.758 -6.451
80 HD3 LYS 14 2HD LYS 14 -1.644 -5.583 -7.117
81 HE2 LYS 14 1HE LYS 14 -0.462 -4.507 -8.741
82 HE3 LYS 14 2HE LYS 14 -0.761 -3.147 -7.659
83 HZ1 LYS 14 3HZ LYS 14 1.654 -3.827 -8.563
84 HZ2 LYS 14 1HZ LYS 14 1.636 -4.676 -7.100
85 HZ3 LYS 14 2HZ LYS 14 1.396 -3.002 -7.109
86 H CYS 15 H CYS 15 -0.845 -1.486 -3.518
87 HA CYS 15 HA CYS 15 -0.436 0.958 -4.747
88 HB2 CYS 15 1HB CYS 15 0.650 0.020 -2.625
89 HB3 CYS 15 2HB CYS 15 1.826 -0.735 -3.697
90 H LYS 16 H LYS 16 0.377 1.607 -6.635
91 HA LYS 16 HA LYS 16 1.338 -0.418 -8.499
92 HB2 LYS 16 1HB LYS 16 0.542 2.473 -8.860
93 HB3 LYS 16 2HB LYS 16 1.189 1.479 -10.159
94 HG2 LYS 16 1HG LYS 16 -1.163 0.473 -8.645
95 HG3 LYS 16 2HG LYS 16 -1.398 1.774 -9.814
96 HD2 LYS 16 1HD LYS 16 -0.498 0.430 -11.584
97 HD3 LYS 16 2HD LYS 16 -0.014 -0.830 -10.446
98 HE2 LYS 16 1HE LYS 16 -2.163 -1.589 -10.165
99 HE3 LYS 16 2HE LYS 16 -2.881 -0.029 -10.563
100 HZ1 LYS 16 3HZ LYS 16 -1.631 -0.774 -12.861
101 HZ2 LYS 16 1HZ LYS 16 -3.287 -0.922 -12.545
102 HZ3 LYS 16 2HZ LYS 16 -2.254 -2.235 -12.278
103 H GLU 17 H GLU 17 2.954 0.655 -6.215
104 HA GLU 17 HA GLU 17 5.267 1.550 -7.804
105 HB2 GLU 17 1HB GLU 17 4.309 2.522 -5.123
106 HB3 GLU 17 2HB GLU 17 5.985 2.708 -5.618
107 HG2 GLU 17 1HG GLU 17 3.735 3.698 -7.327
108 HG3 GLU 17 2HG GLU 17 4.385 4.662 -6.003
109 H CYS 18 H CYS 18 4.261 0.008 -4.763
110 HA CYS 18 HA CYS 18 6.778 -1.519 -4.783
111 HB2 CYS 18 1HB CYS 18 6.343 -1.925 -2.381
112 HB3 CYS 18 2HB CYS 18 6.473 -0.210 -2.756
113 H GLY 19 H GLY 19 3.273 -1.804 -4.365
114 HA2 GLY 19 1HA GLY 19 2.267 -3.724 -5.578
115 HA3 GLY 19 2HA GLY 19 3.551 -4.701 -4.882
116 H LYS 20 H LYS 20 2.390 -2.340 -2.753
117 HA LYS 20 HA LYS 20 1.460 -4.214 -0.877
118 HB2 LYS 20 1HB LYS 20 2.230 -1.695 -0.642
119 HB3 LYS 20 2HB LYS 20 0.505 -1.385 -0.788
120 HG2 LYS 20 1HG LYS 20 0.021 -2.326 1.229
121 HG3 LYS 20 2HG LYS 20 1.389 -3.440 1.163
122 HD2 LYS 20 1HD LYS 20 2.905 -1.805 1.855
123 HD3 LYS 20 2HD LYS 20 1.816 -0.483 1.430
124 HE2 LYS 20 1HE LYS 20 1.585 -0.492 3.709
125 HE3 LYS 20 2HE LYS 20 0.283 -1.591 3.255
126 HZ1 LYS 20 3HZ LYS 20 1.229 -3.160 4.470
127 HZ2 LYS 20 1HZ LYS 20 2.474 -2.102 4.913
128 HZ3 LYS 20 2HZ LYS 20 2.640 -3.077 3.540
129 H ALA 21 H ALA 21 -0.842 -3.751 0.167
130 HA ALA 21 HA ALA 21 -2.884 -3.552 -1.921
131 HB1 ALA 21 3HB ALA 21 -4.010 -5.587 -0.892
132 HB2 ALA 21 1HB ALA 21 -2.586 -5.882 -1.890
133 HB3 ALA 21 2HB ALA 21 -2.455 -5.926 -0.132
134 H PHE 22 H PHE 22 -4.972 -3.031 -1.155
135 HA PHE 22 HA PHE 22 -5.304 -2.498 1.685
136 HB2 PHE 22 1HB PHE 22 -5.972 -0.246 -0.166
137 HB3 PHE 22 2HB PHE 22 -5.588 -0.205 1.552
138 HD1 PHE 22 HD1 PHE 22 -4.053 -0.862 -1.770
139 HD2 PHE 22 HD2 PHE 22 -3.470 0.416 2.248
140 HE1 PHE 22 HE1 PHE 22 -1.737 -0.231 -2.310
141 HE2 PHE 22 HE2 PHE 22 -1.154 1.051 1.714
142 HZ PHE 22 HZ PHE 22 -0.284 0.728 -0.568
143 H ARG 23 H ARG 23 -7.455 -2.352 2.343
144 HA ARG 23 HA ARG 23 -9.342 -3.573 0.522
145 HB2 ARG 23 1HB ARG 23 -9.281 -4.377 2.803
146 HB3 ARG 23 2HB ARG 23 -9.571 -2.757 3.422
147 HG2 ARG 23 1HG ARG 23 -11.796 -2.752 2.506
148 HG3 ARG 23 2HG ARG 23 -11.513 -4.309 1.726
149 HD2 ARG 23 1HD ARG 23 -12.756 -4.758 3.691
150 HD3 ARG 23 2HD ARG 23 -11.097 -5.254 4.024
151 HE ARG 23 HE ARG 23 -11.760 -2.566 4.853
152 HH11 ARG 23 1HH1 ARG 23 -11.601 -5.927 5.746
153 HH12 ARG 23 2HH1 ARG 23 -11.530 -5.606 7.448
154 HH21 ARG 23 1HH2 ARG 23 -11.667 -2.131 7.090
155 HH22 ARG 23 2HH2 ARG 23 -11.568 -3.447 8.211
156 H GLN 24 H GLN 24 -8.792 -0.451 2.010
157 HA GLN 24 HA GLN 24 -11.180 0.595 0.643
158 HB2 GLN 24 1HB GLN 24 -9.658 1.814 2.953
159 HB3 GLN 24 2HB GLN 24 -11.133 2.446 2.232
160 HG2 GLN 24 1HG GLN 24 -12.441 0.727 3.105
161 HG3 GLN 24 2HG GLN 24 -11.042 -0.296 3.429
162 HE21 GLN 24 1HE2 GLN 24 -10.851 -0.550 5.532
163 HE22 GLN 24 2HE2 GLN 24 -10.986 0.693 6.724
164 H ASN 25 H ASN 25 -11.029 2.526 -0.544
165 HA ASN 25 HA ASN 25 -8.664 2.831 -2.049
166 HB2 ASN 25 1HB ASN 25 -9.785 4.625 -3.172
167 HB3 ASN 25 2HB ASN 25 -10.998 3.399 -2.812
168 HD21 ASN 25 1HD2 ASN 25 -10.323 6.624 -2.718
169 HD22 ASN 25 2HD2 ASN 25 -11.503 7.126 -1.560
170 H ILE 26 H ILE 26 -9.968 4.573 0.715
171 HA ILE 26 HA ILE 26 -8.277 6.792 0.696
172 HB ILE 26 HB ILE 26 -10.222 6.633 2.173
173 HG12 ILE 26 1HG1 ILE 26 -7.842 6.883 3.987
174 HG13 ILE 26 2HG1 ILE 26 -8.079 8.032 2.675
175 HG21 ILE 26 1HG2 ILE 26 -8.675 4.843 4.007
176 HG22 ILE 26 2HG2 ILE 26 -10.406 5.177 3.971
177 HG23 ILE 26 3HG2 ILE 26 -9.677 4.168 2.722
178 HD11 ILE 26 3HD1 ILE 26 -10.181 8.725 3.587
179 HD12 ILE 26 1HD1 ILE 26 -10.110 7.465 4.819
180 HD13 ILE 26 2HD1 ILE 26 -8.956 8.799 4.854
181 H HIS 27 H HIS 27 -7.842 3.605 2.192
182 HA HIS 27 HA HIS 27 -5.458 4.070 3.537
183 HB2 HIS 27 1HB HIS 27 -6.666 1.615 2.302
184 HB3 HIS 27 2HB HIS 27 -5.064 1.545 3.029
185 HD1 HIS 27 HD1 HIS 27 -5.124 0.796 5.372
186 HD2 HIS 27 HD2 HIS 27 -8.582 2.851 4.333
187 HE1 HIS 27 HE1 HIS 27 -6.571 0.762 7.429
188 H LEU 28 H LEU 28 -5.913 2.855 0.220
189 HA LEU 28 HA LEU 28 -3.213 2.631 -0.453
190 HB2 LEU 28 1HB LEU 28 -4.788 1.611 -1.873
191 HB3 LEU 28 2HB LEU 28 -5.683 3.114 -2.090
192 HG LEU 28 HG LEU 28 -3.743 3.999 -3.386
193 HD11 LEU 28 1HD1 LEU 28 -2.774 1.155 -3.449
194 HD12 LEU 28 2HD1 LEU 28 -2.115 2.363 -2.346
195 HD13 LEU 28 3HD1 LEU 28 -1.985 2.597 -4.090
196 HD21 LEU 28 3HD2 LEU 28 -5.764 2.957 -4.419
197 HD22 LEU 28 1HD2 LEU 28 -4.868 1.441 -4.510
198 HD23 LEU 28 2HD2 LEU 28 -4.305 2.852 -5.405
199 H ALA 29 H ALA 29 -5.461 5.320 -1.100
200 HA ALA 29 HA ALA 29 -3.593 7.039 -2.283
201 HB1 ALA 29 3HB ALA 29 -6.299 7.276 -1.180
202 HB2 ALA 29 1HB ALA 29 -5.355 8.765 -1.141
203 HB3 ALA 29 2HB ALA 29 -5.618 7.926 -2.671
204 H SER 30 H SER 30 -4.188 6.243 1.037
205 HA SER 30 HA SER 30 -2.762 8.535 2.076
206 HB2 SER 30 1HB SER 30 -4.716 7.146 3.179
207 HB3 SER 30 2HB SER 30 -3.390 6.132 3.747
208 HG SER 30 HG SER 30 -3.895 7.802 5.230
209 H HIS 31 H HIS 31 -1.996 5.414 0.938
210 HA HIS 31 HA HIS 31 0.527 5.302 2.407
211 HB2 HIS 31 1HB HIS 31 -0.533 3.193 2.348
212 HB3 HIS 31 2HB HIS 31 -0.932 3.348 0.640
213 HD1 HIS 31 HD1 HIS 31 1.939 2.565 2.933
214 HD2 HIS 31 HD2 HIS 31 1.040 2.516 -1.123
215 HE1 HIS 31 HE1 HIS 31 3.839 1.335 1.838
216 H LEU 32 H LEU 32 -0.532 5.014 -0.990
217 HA LEU 32 HA LEU 32 1.754 5.024 -2.369
218 HB2 LEU 32 1HB LEU 32 -0.629 6.786 -2.905
219 HB3 LEU 32 2HB LEU 32 0.662 6.490 -4.067
220 HG LEU 32 HG LEU 32 -0.871 4.188 -2.930
221 HD11 LEU 32 1HD1 LEU 32 -2.619 5.660 -3.648
222 HD12 LEU 32 2HD1 LEU 32 -2.427 4.389 -4.856
223 HD13 LEU 32 3HD1 LEU 32 -1.777 6.000 -5.160
224 HD21 LEU 32 3HD2 LEU 32 -0.225 3.099 -4.928
225 HD22 LEU 32 1HD2 LEU 32 1.207 3.950 -4.347
226 HD23 LEU 32 2HD2 LEU 32 0.268 4.616 -5.682
227 H ARG 33 H ARG 33 0.562 7.700 -0.474
228 HA ARG 33 HA ARG 33 1.998 9.836 -1.408
229 HB2 ARG 33 1HB ARG 33 1.958 10.720 0.883
230 HB3 ARG 33 2HB ARG 33 0.411 10.013 0.436
231 HG2 ARG 33 1HG ARG 33 1.035 7.963 1.666
232 HG3 ARG 33 2HG ARG 33 2.522 8.763 2.180
233 HD2 ARG 33 1HD ARG 33 -0.300 9.627 2.800
234 HD3 ARG 33 2HD ARG 33 0.853 8.914 3.927
235 HE ARG 33 HE ARG 33 1.985 11.229 2.826
236 HH11 ARG 33 1HH1 ARG 33 -0.592 10.277 4.964
237 HH12 ARG 33 2HH1 ARG 33 -0.553 11.748 5.879
238 HH21 ARG 33 1HH2 ARG 33 2.046 13.170 4.022
239 HH22 ARG 33 2HH2 ARG 33 0.948 13.393 5.341
240 H ILE 34 H ILE 34 3.128 7.373 0.895
241 HA ILE 34 HA ILE 34 5.624 8.321 1.493
242 HB ILE 34 HB ILE 34 6.332 6.056 1.908
243 HG12 ILE 34 1HG1 ILE 34 3.856 4.893 0.719
244 HG13 ILE 34 2HG1 ILE 34 5.167 5.333 -0.370
245 HG21 ILE 34 1HG2 ILE 34 3.629 6.945 2.671
246 HG22 ILE 34 2HG2 ILE 34 3.988 5.243 2.957
247 HG23 ILE 34 3HG2 ILE 34 5.004 6.491 3.678
248 HD11 ILE 34 3HD1 ILE 34 5.148 3.294 1.818
249 HD12 ILE 34 1HD1 ILE 34 5.539 3.091 0.110
250 HD13 ILE 34 2HD1 ILE 34 6.656 3.944 1.176
251 H HIS 35 H HIS 35 4.498 7.091 -1.538
252 HA HIS 35 HA HIS 35 7.163 6.728 -2.621
253 HB2 HIS 35 1HB HIS 35 4.417 6.522 -3.867
254 HB3 HIS 35 2HB HIS 35 5.915 6.245 -4.750
255 HD1 HIS 35 HD1 HIS 35 7.207 4.065 -4.240
256 HD2 HIS 35 HD2 HIS 35 3.659 4.475 -2.117
257 HE1 HIS 35 HE1 HIS 35 6.748 1.798 -3.252
258 H THR 36 H THR 36 4.609 9.111 -2.653
259 HA THR 36 HA THR 36 6.112 10.750 -4.570
260 HB THR 36 HB THR 36 3.738 10.430 -5.091
261 HG1 THR 36 HG1 THR 36 4.704 12.989 -4.400
262 HG21 THR 36 3HG2 THR 36 2.227 10.366 -3.456
263 HG22 THR 36 1HG2 THR 36 2.477 12.092 -3.192
264 HG23 THR 36 2HG2 THR 36 3.426 10.914 -2.285
265 H GLY 37 H GLY 37 7.737 11.226 -2.924
266 HA2 GLY 37 1HA GLY 37 7.286 13.740 -1.701
267 HA3 GLY 37 2HA GLY 37 7.240 12.473 -0.484
268 H GLU 38 H GLU 38 9.151 10.935 -0.554
269 HA GLU 38 HA GLU 38 11.596 12.507 -1.028
270 HB2 GLU 38 1HB GLU 38 11.119 10.295 0.978
271 HB3 GLU 38 2HB GLU 38 12.632 11.163 0.757
272 HG2 GLU 38 1HG GLU 38 11.757 13.147 1.626
273 HG3 GLU 38 2HG GLU 38 10.093 12.594 1.447
274 H LYS 39 H LYS 39 12.123 11.850 -3.072
275 HA LYS 39 HA LYS 39 12.058 9.095 -3.866
276 HB2 LYS 39 1HB LYS 39 11.696 10.742 -5.564
277 HB3 LYS 39 2HB LYS 39 13.190 11.576 -5.158
278 HG2 LYS 39 1HG LYS 39 14.391 9.452 -5.854
279 HG3 LYS 39 2HG LYS 39 12.850 8.935 -6.542
280 HD2 LYS 39 1HD LYS 39 12.964 11.344 -7.646
281 HD3 LYS 39 2HD LYS 39 14.695 11.100 -7.408
282 HE2 LYS 39 1HE LYS 39 14.039 10.341 -9.614
283 HE3 LYS 39 2HE LYS 39 14.544 8.971 -8.626
284 HZ1 LYS 39 3HZ LYS 39 12.416 8.175 -8.480
285 HZ2 LYS 39 1HZ LYS 39 12.378 8.848 -10.032
286 HZ3 LYS 39 2HZ LYS 39 11.697 9.685 -8.729
287 HA PRO 40 HA PRO 40 15.998 7.874 -2.306
288 HB2 PRO 40 1HB PRO 40 16.383 5.691 -3.874
289 HB3 PRO 40 2HB PRO 40 15.240 5.716 -2.526
290 HG2 PRO 40 1HG PRO 40 14.722 6.057 -5.454
291 HG3 PRO 40 2HG PRO 40 13.809 5.118 -4.259
292 HD2 PRO 40 1HD PRO 40 13.016 7.566 -5.101
293 HD3 PRO 40 2HD PRO 40 12.705 6.975 -3.456
294 H SER 41 H SER 41 18.080 6.795 -3.534
295 HA SER 41 HA SER 41 19.163 8.962 -5.052
296 HB2 SER 41 1HB SER 41 21.232 7.707 -5.032
297 HB3 SER 41 2HB SER 41 20.490 7.589 -3.437
298 HG SER 41 HG SER 41 21.292 5.604 -4.830
299 H GLY 42 H GLY 42 19.747 9.036 -7.202
300 HA2 GLY 42 1HA GLY 42 20.050 7.275 -9.145
301 HA3 GLY 42 2HA GLY 42 18.310 7.161 -8.925
302 HA PRO 43 HA PRO 43 19.112 10.418 -12.107
303 HB2 PRO 43 1HB PRO 43 17.139 9.590 -13.779
304 HB3 PRO 43 2HB PRO 43 18.772 8.913 -13.810
305 HG2 PRO 43 1HG PRO 43 16.294 7.825 -12.529
306 HG3 PRO 43 2HG PRO 43 17.535 6.974 -13.468
307 HD2 PRO 43 1HD PRO 43 17.460 6.916 -10.762
308 HD3 PRO 43 2HD PRO 43 18.980 6.844 -11.677
309 H SER 44 H SER 44 18.310 11.896 -10.488
310 HA SER 44 HA SER 44 15.395 12.282 -10.523
311 HB2 SER 44 1HB SER 44 16.657 11.990 -8.311
312 HB3 SER 44 2HB SER 44 17.318 13.598 -8.606
313 HG SER 44 HG SER 44 15.540 14.183 -7.624
314 H SER 45 H SER 45 14.519 14.343 -10.891
315 HA SER 45 HA SER 45 16.140 15.995 -12.649
316 HB2 SER 45 1HB SER 45 13.986 17.170 -13.101
317 HB3 SER 45 2HB SER 45 13.909 15.437 -13.417
318 HG SER 45 HG SER 45 12.865 16.864 -11.209
319 H GLY 46 H GLY 46 14.262 16.352 -9.655
320 HA2 GLY 46 1HA GLY 46 14.630 17.778 -7.872
321 HA3 GLY 46 2HA GLY 46 16.065 18.373 -8.694
Start of MODEL 15
1 H1 GLY 1 H GLY 1 -2.950 -32.509 -2.184
2 HA2 GLY 1 1HA GLY 1 -5.271 -32.377 -3.675
3 HA3 GLY 1 2HA GLY 1 -5.794 -32.448 -1.998
4 H SER 2 H SER 2 -6.705 -30.332 -2.356
5 HA SER 2 HA SER 2 -4.783 -28.243 -1.734
6 HB2 SER 2 1HB SER 2 -6.484 -28.251 -4.220
7 HB3 SER 2 2HB SER 2 -5.937 -26.742 -3.489
8 HG SER 2 HG SER 2 -3.949 -27.143 -4.117
9 H SER 3 H SER 3 -5.584 -27.419 0.074
10 HA SER 3 HA SER 3 -8.452 -27.397 0.548
11 HB2 SER 3 1HB SER 3 -7.192 -28.107 2.430
12 HB3 SER 3 2HB SER 3 -6.057 -26.767 2.272
13 HG SER 3 HG SER 3 -7.368 -25.548 3.373
14 H GLY 4 H GLY 4 -5.788 -25.025 0.570
15 HA2 GLY 4 1HA GLY 4 -5.903 -22.701 0.582
16 HA3 GLY 4 2HA GLY 4 -6.777 -23.029 -0.907
17 H SER 5 H SER 5 -7.654 -23.472 2.514
18 HA SER 5 HA SER 5 -9.968 -21.709 2.038
19 HB2 SER 5 1HB SER 5 -9.795 -24.353 3.452
20 HB3 SER 5 2HB SER 5 -11.038 -23.187 3.903
21 HG SER 5 HG SER 5 -10.708 -24.615 1.522
22 H SER 6 H SER 6 -7.523 -20.744 2.970
23 HA SER 6 HA SER 6 -7.782 -20.473 5.862
24 HB2 SER 6 1HB SER 6 -5.670 -19.588 3.892
25 HB3 SER 6 2HB SER 6 -5.643 -19.117 5.591
26 HG SER 6 HG SER 6 -5.986 -21.654 5.697
27 H GLY 7 H GLY 7 -7.495 -18.304 3.040
28 HA2 GLY 7 1HA GLY 7 -8.401 -16.231 2.641
29 HA3 GLY 7 2HA GLY 7 -9.588 -16.601 3.884
30 H SER 8 H SER 8 -7.911 -14.161 3.173
31 HA SER 8 HA SER 8 -6.990 -13.642 5.918
32 HB2 SER 8 1HB SER 8 -5.540 -13.144 3.337
33 HB3 SER 8 2HB SER 8 -5.245 -12.102 4.730
34 HG SER 8 HG SER 8 -4.164 -14.433 4.250
35 H GLY 9 H GLY 9 -7.660 -12.017 2.809
36 HA2 GLY 9 1HA GLY 9 -9.802 -10.494 3.527
37 HA3 GLY 9 2HA GLY 9 -8.428 -9.576 4.128
38 H GLU 10 H GLU 10 -10.050 -10.790 1.274
39 HA GLU 10 HA GLU 10 -8.406 -10.120 -0.777
40 HB2 GLU 10 1HB GLU 10 -10.765 -11.033 -0.916
41 HB3 GLU 10 2HB GLU 10 -11.330 -9.375 -0.765
42 HG2 GLU 10 1HG GLU 10 -11.351 -9.802 -3.055
43 HG3 GLU 10 2HG GLU 10 -9.881 -8.865 -2.792
44 H LYS 11 H LYS 11 -7.782 -8.304 -1.882
45 HA LYS 11 HA LYS 11 -8.741 -5.699 -0.965
46 HB2 LYS 11 1HB LYS 11 -5.900 -6.669 -0.823
47 HB3 LYS 11 2HB LYS 11 -6.256 -4.957 -1.010
48 HG2 LYS 11 1HG LYS 11 -7.419 -4.894 1.069
49 HG3 LYS 11 2HG LYS 11 -7.351 -6.651 1.222
50 HD2 LYS 11 1HD LYS 11 -4.764 -6.256 1.075
51 HD3 LYS 11 2HD LYS 11 -5.191 -4.622 1.590
52 HE2 LYS 11 1HE LYS 11 -4.867 -5.630 3.623
53 HE3 LYS 11 2HE LYS 11 -6.594 -5.907 3.401
54 HZ1 LYS 11 3HZ LYS 11 -5.557 -7.927 4.113
55 HZ2 LYS 11 1HZ LYS 11 -4.408 -7.844 2.874
56 HZ3 LYS 11 2HZ LYS 11 -6.034 -8.118 2.501
57 HA PRO 12 HA PRO 12 -8.643 -5.485 -5.460
58 HB2 PRO 12 1HB PRO 12 -10.160 -3.239 -5.609
59 HB3 PRO 12 2HB PRO 12 -10.848 -4.848 -5.357
60 HG2 PRO 12 1HG PRO 12 -10.270 -2.700 -3.354
61 HG3 PRO 12 2HG PRO 12 -11.693 -3.749 -3.490
62 HD2 PRO 12 1HD PRO 12 -9.706 -4.214 -1.711
63 HD3 PRO 12 2HD PRO 12 -10.641 -5.523 -2.463
64 H PHE 13 H PHE 13 -7.931 -2.901 -3.169
65 HA PHE 13 HA PHE 13 -6.563 -1.294 -5.136
66 HB2 PHE 13 1HB PHE 13 -6.665 -1.025 -2.124
67 HB3 PHE 13 2HB PHE 13 -6.031 0.179 -3.241
68 HD1 PHE 13 HD1 PHE 13 -7.636 1.160 -4.961
69 HD2 PHE 13 HD2 PHE 13 -8.917 -1.040 -1.549
70 HE1 PHE 13 HE1 PHE 13 -9.878 2.151 -5.168
71 HE2 PHE 13 HE2 PHE 13 -11.161 -0.052 -1.751
72 HZ PHE 13 HZ PHE 13 -11.645 1.545 -3.563
73 H LYS 14 H LYS 14 -4.584 -1.718 -5.824
74 HA LYS 14 HA LYS 14 -2.625 -2.813 -3.925
75 HB2 LYS 14 1HB LYS 14 -3.629 -4.479 -5.662
76 HB3 LYS 14 2HB LYS 14 -2.595 -3.638 -6.810
77 HG2 LYS 14 1HG LYS 14 -0.769 -4.117 -4.955
78 HG3 LYS 14 2HG LYS 14 -1.876 -5.437 -4.567
79 HD2 LYS 14 1HD LYS 14 -1.812 -5.874 -7.137
80 HD3 LYS 14 2HD LYS 14 -0.316 -4.938 -7.070
81 HE2 LYS 14 1HE LYS 14 0.778 -6.522 -5.819
82 HE3 LYS 14 2HE LYS 14 -0.711 -7.149 -5.114
83 HZ1 LYS 14 3HZ LYS 14 -0.143 -8.808 -6.570
84 HZ2 LYS 14 1HZ LYS 14 0.502 -7.750 -7.722
85 HZ3 LYS 14 2HZ LYS 14 -1.174 -7.886 -7.543
86 H CYS 15 H CYS 15 -1.000 -1.437 -3.711
87 HA CYS 15 HA CYS 15 -0.574 0.833 -5.245
88 HB2 CYS 15 1HB CYS 15 0.371 0.194 -2.925
89 HB3 CYS 15 2HB CYS 15 1.677 -0.570 -3.826
90 H LYS 16 H LYS 16 0.037 1.041 -7.284
91 HA LYS 16 HA LYS 16 1.368 -1.129 -8.661
92 HB2 LYS 16 1HB LYS 16 -0.515 0.473 -9.543
93 HB3 LYS 16 2HB LYS 16 0.834 1.541 -9.908
94 HG2 LYS 16 1HG LYS 16 1.828 -0.531 -11.104
95 HG3 LYS 16 2HG LYS 16 0.166 -1.127 -11.072
96 HD2 LYS 16 1HD LYS 16 0.642 1.648 -12.029
97 HD3 LYS 16 2HD LYS 16 1.098 0.314 -13.092
98 HE2 LYS 16 1HE LYS 16 -1.587 0.258 -11.809
99 HE3 LYS 16 2HE LYS 16 -1.323 1.370 -13.151
100 HZ1 LYS 16 3HZ LYS 16 -1.998 -1.242 -13.385
101 HZ2 LYS 16 1HZ LYS 16 -0.328 -1.276 -13.656
102 HZ3 LYS 16 2HZ LYS 16 -1.320 -0.294 -14.612
103 H GLU 17 H GLU 17 2.764 0.453 -6.552
104 HA GLU 17 HA GLU 17 5.048 1.342 -8.187
105 HB2 GLU 17 1HB GLU 17 3.904 2.522 -5.668
106 HB3 GLU 17 2HB GLU 17 5.576 2.808 -6.131
107 HG2 GLU 17 1HG GLU 17 5.003 4.085 -7.948
108 HG3 GLU 17 2HG GLU 17 3.417 3.335 -8.111
109 H CYS 18 H CYS 18 4.027 -0.069 -5.103
110 HA CYS 18 HA CYS 18 6.690 -1.312 -4.876
111 HB2 CYS 18 1HB CYS 18 6.232 -1.458 -2.433
112 HB3 CYS 18 2HB CYS 18 6.304 0.198 -3.026
113 H GLY 19 H GLY 19 3.223 -1.810 -4.274
114 HA2 GLY 19 1HA GLY 19 2.354 -3.934 -5.273
115 HA3 GLY 19 2HA GLY 19 3.715 -4.718 -4.483
116 H LYS 20 H LYS 20 2.227 -2.165 -2.748
117 HA LYS 20 HA LYS 20 1.418 -3.956 -0.663
118 HB2 LYS 20 1HB LYS 20 2.283 -1.453 -0.576
119 HB3 LYS 20 2HB LYS 20 0.565 -1.096 -0.698
120 HG2 LYS 20 1HG LYS 20 0.793 -1.152 1.563
121 HG3 LYS 20 2HG LYS 20 0.409 -2.849 1.263
122 HD2 LYS 20 1HD LYS 20 2.759 -3.428 1.336
123 HD3 LYS 20 2HD LYS 20 3.200 -1.728 1.515
124 HE2 LYS 20 1HE LYS 20 1.374 -3.066 3.480
125 HE3 LYS 20 2HE LYS 20 3.125 -3.227 3.617
126 HZ1 LYS 20 3HZ LYS 20 2.485 -1.406 4.955
127 HZ2 LYS 20 1HZ LYS 20 1.526 -0.734 3.735
128 HZ3 LYS 20 2HZ LYS 20 3.210 -0.741 3.579
129 H ALA 21 H ALA 21 -0.708 -4.186 0.191
130 HA ALA 21 HA ALA 21 -2.825 -3.749 -1.813
131 HB1 ALA 21 3HB ALA 21 -3.946 -5.727 -0.695
132 HB2 ALA 21 1HB ALA 21 -2.503 -6.077 -1.648
133 HB3 ALA 21 2HB ALA 21 -2.406 -6.018 0.113
134 H PHE 22 H PHE 22 -4.896 -3.155 -1.081
135 HA PHE 22 HA PHE 22 -5.168 -2.418 1.734
136 HB2 PHE 22 1HB PHE 22 -5.980 -0.419 -0.349
137 HB3 PHE 22 2HB PHE 22 -5.640 -0.166 1.360
138 HD1 PHE 22 HD1 PHE 22 -4.071 -0.890 -1.910
139 HD2 PHE 22 HD2 PHE 22 -3.498 0.446 2.090
140 HE1 PHE 22 HE1 PHE 22 -1.781 -0.188 -2.476
141 HE2 PHE 22 HE2 PHE 22 -1.208 1.151 1.530
142 HZ PHE 22 HZ PHE 22 -0.347 0.835 -0.755
143 H ARG 23 H ARG 23 -7.342 -2.129 2.424
144 HA ARG 23 HA ARG 23 -9.216 -3.722 0.892
145 HB2 ARG 23 1HB ARG 23 -9.415 -2.444 3.624
146 HB3 ARG 23 2HB ARG 23 -10.675 -3.436 2.903
147 HG2 ARG 23 1HG ARG 23 -8.751 -5.193 2.683
148 HG3 ARG 23 2HG ARG 23 -8.011 -4.231 3.964
149 HD2 ARG 23 1HD ARG 23 -10.851 -5.144 4.197
150 HD3 ARG 23 2HD ARG 23 -9.527 -6.240 4.591
151 HE ARG 23 HE ARG 23 -9.092 -3.839 5.945
152 HH11 ARG 23 1HH1 ARG 23 -11.364 -6.476 5.921
153 HH12 ARG 23 2HH1 ARG 23 -11.760 -6.322 7.601
154 HH21 ARG 23 1HH2 ARG 23 -9.605 -3.625 8.157
155 HH22 ARG 23 2HH2 ARG 23 -10.760 -4.699 8.871
156 H GLN 24 H GLN 24 -8.819 -0.383 1.927
157 HA GLN 24 HA GLN 24 -11.128 0.341 0.244
158 HB2 GLN 24 1HB GLN 24 -10.141 1.844 2.673
159 HB3 GLN 24 2HB GLN 24 -11.567 2.216 1.713
160 HG2 GLN 24 1HG GLN 24 -11.283 -0.419 3.102
161 HG3 GLN 24 2HG GLN 24 -11.871 1.009 3.953
162 HE21 GLN 24 1HE2 GLN 24 -12.568 -1.413 1.603
163 HE22 GLN 24 2HE2 GLN 24 -14.229 -1.006 1.359
164 H ASN 25 H ASN 25 -10.998 2.648 -0.552
165 HA ASN 25 HA ASN 25 -8.548 2.988 -1.966
166 HB2 ASN 25 1HB ASN 25 -10.336 3.740 -3.216
167 HB3 ASN 25 2HB ASN 25 -11.151 4.446 -1.823
168 HD21 ASN 25 1HD2 ASN 25 -8.513 4.857 -4.097
169 HD22 ASN 25 2HD2 ASN 25 -8.387 6.572 -3.928
170 H ILE 26 H ILE 26 -10.122 4.737 0.686
171 HA ILE 26 HA ILE 26 -8.471 6.897 0.982
172 HB ILE 26 HB ILE 26 -10.387 6.650 2.406
173 HG12 ILE 26 1HG1 ILE 26 -8.031 6.477 4.276
174 HG13 ILE 26 2HG1 ILE 26 -8.270 7.865 3.220
175 HG21 ILE 26 1HG2 ILE 26 -10.315 4.999 4.311
176 HG22 ILE 26 2HG2 ILE 26 -10.531 4.305 2.705
177 HG23 ILE 26 3HG2 ILE 26 -8.954 4.237 3.490
178 HD11 ILE 26 3HD1 ILE 26 -9.271 7.569 5.752
179 HD12 ILE 26 1HD1 ILE 26 -9.837 8.722 4.543
180 HD13 ILE 26 2HD1 ILE 26 -10.652 7.169 4.731
181 H HIS 27 H HIS 27 -7.830 3.564 1.881
182 HA HIS 27 HA HIS 27 -5.487 4.066 3.398
183 HB2 HIS 27 1HB HIS 27 -6.719 1.657 2.126
184 HB3 HIS 27 2HB HIS 27 -5.050 1.562 2.681
185 HD1 HIS 27 HD1 HIS 27 -7.462 -0.035 3.942
186 HD2 HIS 27 HD2 HIS 27 -5.815 3.471 5.443
187 HE1 HIS 27 HE1 HIS 27 -8.031 -0.020 6.392
188 H LEU 28 H LEU 28 -5.935 2.926 0.051
189 HA LEU 28 HA LEU 28 -3.274 2.786 -0.696
190 HB2 LEU 28 1HB LEU 28 -4.939 1.908 -2.138
191 HB3 LEU 28 2HB LEU 28 -5.737 3.473 -2.278
192 HG LEU 28 HG LEU 28 -3.778 4.309 -3.545
193 HD11 LEU 28 1HD1 LEU 28 -2.878 1.446 -3.692
194 HD12 LEU 28 2HD1 LEU 28 -2.208 2.595 -2.534
195 HD13 LEU 28 3HD1 LEU 28 -2.043 2.890 -4.265
196 HD21 LEU 28 3HD2 LEU 28 -5.768 3.436 -4.687
197 HD22 LEU 28 1HD2 LEU 28 -5.048 1.826 -4.696
198 HD23 LEU 28 2HD2 LEU 28 -4.293 3.134 -5.608
199 H ALA 29 H ALA 29 -5.490 5.537 -1.190
200 HA ALA 29 HA ALA 29 -3.593 7.311 -2.223
201 HB1 ALA 29 3HB ALA 29 -6.105 7.911 -0.667
202 HB2 ALA 29 1HB ALA 29 -5.184 9.087 -1.605
203 HB3 ALA 29 2HB ALA 29 -5.969 7.731 -2.416
204 H SER 30 H SER 30 -4.188 6.270 1.018
205 HA SER 30 HA SER 30 -2.763 8.484 2.227
206 HB2 SER 30 1HB SER 30 -4.699 7.352 3.350
207 HB3 SER 30 2HB SER 30 -3.695 5.914 3.525
208 HG SER 30 HG SER 30 -2.987 6.820 5.274
209 H HIS 31 H HIS 31 -2.008 5.465 0.855
210 HA HIS 31 HA HIS 31 0.492 5.203 2.345
211 HB2 HIS 31 1HB HIS 31 -0.558 3.112 2.098
212 HB3 HIS 31 2HB HIS 31 -0.977 3.422 0.416
213 HD1 HIS 31 HD1 HIS 31 1.896 2.386 2.595
214 HD2 HIS 31 HD2 HIS 31 0.987 2.773 -1.441
215 HE1 HIS 31 HE1 HIS 31 3.780 1.256 1.369
216 H LEU 32 H LEU 32 -0.546 5.283 -1.067
217 HA LEU 32 HA LEU 32 1.742 5.355 -2.440
218 HB2 LEU 32 1HB LEU 32 -0.611 7.203 -2.760
219 HB3 LEU 32 2HB LEU 32 0.702 7.104 -3.932
220 HG LEU 32 HG LEU 32 -0.887 4.674 -3.177
221 HD11 LEU 32 1HD1 LEU 32 -2.108 5.261 -5.403
222 HD12 LEU 32 2HD1 LEU 32 -1.658 6.915 -4.991
223 HD13 LEU 32 3HD1 LEU 32 -2.653 5.971 -3.883
224 HD21 LEU 32 3HD2 LEU 32 0.457 5.378 -5.773
225 HD22 LEU 32 1HD2 LEU 32 -0.090 3.797 -5.215
226 HD23 LEU 32 2HD2 LEU 32 1.300 4.568 -4.452
227 H ARG 33 H ARG 33 0.646 7.862 -0.272
228 HA ARG 33 HA ARG 33 2.172 10.024 -0.967
229 HB2 ARG 33 1HB ARG 33 2.184 10.632 1.429
230 HB3 ARG 33 2HB ARG 33 0.600 10.105 0.877
231 HG2 ARG 33 1HG ARG 33 1.045 7.876 1.847
232 HG3 ARG 33 2HG ARG 33 2.574 8.492 2.477
233 HD2 ARG 33 1HD ARG 33 -0.171 9.552 3.145
234 HD3 ARG 33 2HD ARG 33 0.818 8.523 4.181
235 HE ARG 33 HE ARG 33 2.450 10.595 3.784
236 HH11 ARG 33 1HH1 ARG 33 -0.924 10.468 4.631
237 HH12 ARG 33 2HH1 ARG 33 -0.888 11.948 5.531
238 HH21 ARG 33 1HH2 ARG 33 2.511 12.545 4.966
239 HH22 ARG 33 2HH2 ARG 33 1.066 13.129 5.720
240 H ILE 34 H ILE 34 3.193 7.292 1.069
241 HA ILE 34 HA ILE 34 5.722 8.065 1.760
242 HB ILE 34 HB ILE 34 6.337 5.744 1.932
243 HG12 ILE 34 1HG1 ILE 34 3.825 4.817 0.614
244 HG13 ILE 34 2HG1 ILE 34 5.165 5.312 -0.413
245 HG21 ILE 34 1HG2 ILE 34 3.939 4.922 2.870
246 HG22 ILE 34 2HG2 ILE 34 5.019 6.014 3.736
247 HG23 ILE 34 3HG2 ILE 34 3.680 6.665 2.792
248 HD11 ILE 34 3HD1 ILE 34 5.401 3.257 1.766
249 HD12 ILE 34 1HD1 ILE 34 5.061 2.875 0.078
250 HD13 ILE 34 2HD1 ILE 34 6.586 3.647 0.519
251 H HIS 35 H HIS 35 4.563 7.201 -1.385
252 HA HIS 35 HA HIS 35 7.222 6.870 -2.496
253 HB2 HIS 35 1HB HIS 35 4.474 6.855 -3.753
254 HB3 HIS 35 2HB HIS 35 5.965 6.637 -4.665
255 HD1 HIS 35 HD1 HIS 35 6.960 4.330 -4.704
256 HD2 HIS 35 HD2 HIS 35 3.921 4.716 -1.897
257 HE1 HIS 35 HE1 HIS 35 6.516 1.999 -3.870
258 H THR 36 H THR 36 4.653 9.269 -2.441
259 HA THR 36 HA THR 36 6.216 11.057 -4.149
260 HB THR 36 HB THR 36 3.844 10.875 -4.681
261 HG1 THR 36 HG1 THR 36 4.735 13.346 -3.600
262 HG21 THR 36 3HG2 THR 36 2.490 12.249 -2.714
263 HG22 THR 36 1HG2 THR 36 3.568 11.200 -1.794
264 HG23 THR 36 2HG2 THR 36 2.448 10.504 -2.966
265 H GLY 37 H GLY 37 7.406 10.575 -1.700
266 HA2 GLY 37 1HA GLY 37 6.960 13.134 -0.287
267 HA3 GLY 37 2HA GLY 37 7.409 11.651 0.542
268 H GLU 38 H GLU 38 8.556 14.508 -0.698
269 HA GLU 38 HA GLU 38 11.309 13.581 -0.425
270 HB2 GLU 38 1HB GLU 38 10.481 13.613 -2.899
271 HB3 GLU 38 2HB GLU 38 10.638 15.358 -2.745
272 HG2 GLU 38 1HG GLU 38 12.666 14.718 -3.648
273 HG3 GLU 38 2HG GLU 38 13.021 14.865 -1.928
274 H LYS 39 H LYS 39 12.671 15.078 0.439
275 HA LYS 39 HA LYS 39 11.556 17.761 0.936
276 HB2 LYS 39 1HB LYS 39 12.810 17.734 3.092
277 HB3 LYS 39 2HB LYS 39 11.516 16.546 3.011
278 HG2 LYS 39 1HG LYS 39 14.247 15.687 2.229
279 HG3 LYS 39 2HG LYS 39 13.907 15.942 3.942
280 HD2 LYS 39 1HD LYS 39 12.113 14.268 2.210
281 HD3 LYS 39 2HD LYS 39 13.546 13.590 2.986
282 HE2 LYS 39 1HE LYS 39 12.703 14.005 5.141
283 HE3 LYS 39 2HE LYS 39 11.466 15.105 4.536
284 HZ1 LYS 39 3HZ LYS 39 11.414 12.319 3.631
285 HZ2 LYS 39 1HZ LYS 39 10.133 13.397 3.877
286 HZ3 LYS 39 2HZ LYS 39 10.884 12.660 5.201
287 HA PRO 40 HA PRO 40 15.190 19.334 -0.990
288 HB2 PRO 40 1HB PRO 40 15.196 21.827 0.085
289 HB3 PRO 40 2HB PRO 40 14.053 21.323 -1.166
290 HG2 PRO 40 1HG PRO 40 13.659 21.510 1.796
291 HG3 PRO 40 2HG PRO 40 12.568 22.006 0.488
292 HD2 PRO 40 1HD PRO 40 12.253 19.685 1.847
293 HD3 PRO 40 2HD PRO 40 11.810 19.858 0.137
294 H SER 41 H SER 41 14.851 19.029 2.419
295 HA SER 41 HA SER 41 17.706 19.607 2.824
296 HB2 SER 41 1HB SER 41 15.901 20.787 4.224
297 HB3 SER 41 2HB SER 41 15.678 19.231 5.023
298 HG SER 41 HG SER 41 17.810 19.305 5.702
299 H GLY 42 H GLY 42 19.090 18.036 3.416
300 HA2 GLY 42 1HA GLY 42 19.793 15.999 4.319
301 HA3 GLY 42 2HA GLY 42 18.110 15.543 4.539
302 HA PRO 43 HA PRO 43 20.140 13.823 0.517
303 HB2 PRO 43 1HB PRO 43 21.296 11.540 1.424
304 HB3 PRO 43 2HB PRO 43 22.166 13.074 1.300
305 HG2 PRO 43 1HG PRO 43 20.913 11.795 3.700
306 HG3 PRO 43 2HG PRO 43 22.482 12.610 3.557
307 HD2 PRO 43 1HD PRO 43 20.302 13.821 4.612
308 HD3 PRO 43 2HD PRO 43 21.546 14.711 3.711
309 H SER 44 H SER 44 19.885 11.302 -0.135
310 HA SER 44 HA SER 44 17.244 10.460 0.868
311 HB2 SER 44 1HB SER 44 16.930 11.322 -1.350
312 HB3 SER 44 2HB SER 44 18.315 10.417 -1.960
313 HG SER 44 HG SER 44 17.177 8.535 -1.741
314 H SER 45 H SER 45 19.868 9.132 -1.153
315 HA SER 45 HA SER 45 19.476 6.518 0.054
316 HB2 SER 45 1HB SER 45 20.980 5.693 -1.650
317 HB3 SER 45 2HB SER 45 19.827 6.789 -2.410
318 HG SER 45 HG SER 45 22.561 7.072 -2.013
319 H GLY 46 H GLY 46 21.517 5.253 0.607
320 HA2 GLY 46 1HA GLY 46 23.784 6.738 1.556
321 HA3 GLY 46 2HA GLY 46 22.721 6.230 2.860
Start of MODEL 16
1 H1 GLY 1 H GLY 1 4.474 -31.473 0.696
2 HA2 GLY 1 1HA GLY 1 4.609 -29.851 2.654
3 HA3 GLY 1 2HA GLY 1 3.622 -29.306 1.306
4 H SER 2 H SER 2 3.553 -28.927 4.335
5 HA SER 2 HA SER 2 0.811 -29.869 4.819
6 HB2 SER 2 1HB SER 2 3.013 -29.017 6.702
7 HB3 SER 2 2HB SER 2 1.344 -29.237 7.230
8 HG SER 2 HG SER 2 2.149 -31.201 7.537
9 H SER 3 H SER 3 2.873 -27.009 5.333
10 HA SER 3 HA SER 3 0.621 -25.300 5.830
11 HB2 SER 3 1HB SER 3 2.995 -25.014 6.752
12 HB3 SER 3 2HB SER 3 3.415 -24.380 5.161
13 HG SER 3 HG SER 3 1.163 -23.315 6.405
14 H GLY 4 H GLY 4 -0.176 -23.642 4.515
15 HA2 GLY 4 1HA GLY 4 0.815 -23.323 1.816
16 HA3 GLY 4 2HA GLY 4 -0.747 -24.123 1.920
17 H SER 5 H SER 5 0.803 -21.315 3.486
18 HA SER 5 HA SER 5 -1.665 -19.798 2.949
19 HB2 SER 5 1HB SER 5 -0.930 -18.344 4.862
20 HB3 SER 5 2HB SER 5 -1.306 -20.005 5.322
21 HG SER 5 HG SER 5 0.647 -19.324 6.261
22 H SER 6 H SER 6 -0.986 -19.164 0.863
23 HA SER 6 HA SER 6 1.019 -17.016 0.903
24 HB2 SER 6 1HB SER 6 0.782 -19.207 -1.170
25 HB3 SER 6 2HB SER 6 1.750 -17.749 -1.384
26 HG SER 6 HG SER 6 3.237 -18.593 -0.169
27 H GLY 7 H GLY 7 -0.359 -15.320 0.754
28 HA2 GLY 7 1HA GLY 7 -1.718 -13.789 -0.294
29 HA3 GLY 7 2HA GLY 7 -1.531 -14.734 -1.764
30 H SER 8 H SER 8 -3.591 -13.905 0.826
31 HA SER 8 HA SER 8 -5.549 -15.937 -0.017
32 HB2 SER 8 1HB SER 8 -6.609 -15.659 2.163
33 HB3 SER 8 2HB SER 8 -4.899 -16.034 2.374
34 HG SER 8 HG SER 8 -5.716 -14.269 3.690
35 H GLY 9 H GLY 9 -6.678 -14.988 -1.631
36 HA2 GLY 9 1HA GLY 9 -8.281 -13.636 -2.576
37 HA3 GLY 9 2HA GLY 9 -8.566 -12.968 -0.975
38 H GLU 10 H GLU 10 -7.336 -12.375 -4.056
39 HA GLU 10 HA GLU 10 -5.368 -10.432 -3.497
40 HB2 GLU 10 1HB GLU 10 -7.078 -11.036 -5.890
41 HB3 GLU 10 2HB GLU 10 -6.035 -9.621 -5.873
42 HG2 GLU 10 1HG GLU 10 -5.037 -12.405 -5.351
43 HG3 GLU 10 2HG GLU 10 -5.081 -11.673 -6.954
44 H LYS 11 H LYS 11 -5.600 -8.516 -2.578
45 HA LYS 11 HA LYS 11 -8.079 -7.372 -1.919
46 HB2 LYS 11 1HB LYS 11 -5.402 -5.979 -2.097
47 HB3 LYS 11 2HB LYS 11 -6.802 -5.435 -1.183
48 HG2 LYS 11 1HG LYS 11 -4.984 -7.748 -0.631
49 HG3 LYS 11 2HG LYS 11 -5.403 -6.388 0.414
50 HD2 LYS 11 1HD LYS 11 -7.335 -8.533 -0.466
51 HD3 LYS 11 2HD LYS 11 -6.483 -8.524 1.080
52 HE2 LYS 11 1HE LYS 11 -7.541 -6.392 1.647
53 HE3 LYS 11 2HE LYS 11 -8.384 -6.395 0.099
54 HZ1 LYS 11 3HZ LYS 11 -8.791 -8.188 2.413
55 HZ2 LYS 11 1HZ LYS 11 -9.329 -8.612 0.866
56 HZ3 LYS 11 2HZ LYS 11 -9.926 -7.219 1.617
57 HA PRO 12 HA PRO 12 -9.284 -5.195 -5.541
58 HB2 PRO 12 1HB PRO 12 -10.661 -3.136 -4.431
59 HB3 PRO 12 2HB PRO 12 -11.277 -4.792 -4.472
60 HG2 PRO 12 1HG PRO 12 -9.932 -3.327 -2.235
61 HG3 PRO 12 2HG PRO 12 -11.351 -4.389 -2.183
62 HD2 PRO 12 1HD PRO 12 -8.879 -5.225 -1.462
63 HD3 PRO 12 2HD PRO 12 -10.073 -6.307 -2.207
64 H PHE 13 H PHE 13 -7.747 -3.349 -2.949
65 HA PHE 13 HA PHE 13 -6.862 -1.344 -4.899
66 HB2 PHE 13 1HB PHE 13 -6.854 -1.319 -1.876
67 HB3 PHE 13 2HB PHE 13 -6.184 -0.035 -2.877
68 HD1 PHE 13 HD1 PHE 13 -7.694 1.288 -4.346
69 HD2 PHE 13 HD2 PHE 13 -9.170 -1.476 -1.466
70 HE1 PHE 13 HE1 PHE 13 -9.909 2.353 -4.464
71 HE2 PHE 13 HE2 PHE 13 -11.387 -0.417 -1.580
72 HZ PHE 13 HZ PHE 13 -11.760 1.500 -3.081
73 H LYS 14 H LYS 14 -4.925 -1.606 -5.766
74 HA LYS 14 HA LYS 14 -2.829 -2.921 -4.163
75 HB2 LYS 14 1HB LYS 14 -3.673 -4.213 -6.165
76 HB3 LYS 14 2HB LYS 14 -3.016 -2.934 -7.177
77 HG2 LYS 14 1HG LYS 14 -1.281 -4.401 -7.231
78 HG3 LYS 14 2HG LYS 14 -0.820 -3.454 -5.814
79 HD2 LYS 14 1HD LYS 14 -1.315 -5.142 -4.355
80 HD3 LYS 14 2HD LYS 14 -2.568 -5.822 -5.397
81 HE2 LYS 14 1HE LYS 14 -0.588 -7.279 -5.217
82 HE3 LYS 14 2HE LYS 14 -0.891 -6.748 -6.871
83 HZ1 LYS 14 3HZ LYS 14 0.900 -5.073 -5.320
84 HZ2 LYS 14 1HZ LYS 14 1.006 -5.571 -6.933
85 HZ3 LYS 14 2HZ LYS 14 1.489 -6.614 -5.693
86 H CYS 15 H CYS 15 -0.790 -2.030 -4.151
87 HA CYS 15 HA CYS 15 -0.639 0.767 -4.821
88 HB2 CYS 15 1HB CYS 15 0.344 -0.236 -2.736
89 HB3 CYS 15 2HB CYS 15 1.555 -1.015 -3.750
90 H LYS 16 H LYS 16 0.160 1.620 -6.621
91 HA LYS 16 HA LYS 16 1.380 -0.132 -8.599
92 HB2 LYS 16 1HB LYS 16 -0.460 1.743 -8.942
93 HB3 LYS 16 2HB LYS 16 0.952 2.783 -9.081
94 HG2 LYS 16 1HG LYS 16 1.795 1.135 -10.827
95 HG3 LYS 16 2HG LYS 16 0.159 0.472 -10.821
96 HD2 LYS 16 1HD LYS 16 0.188 2.041 -12.576
97 HD3 LYS 16 2HD LYS 16 -0.639 2.851 -11.244
98 HE2 LYS 16 1HE LYS 16 1.250 4.167 -10.740
99 HE3 LYS 16 2HE LYS 16 2.312 3.160 -11.723
100 HZ1 LYS 16 3HZ LYS 16 0.812 5.429 -12.488
101 HZ2 LYS 16 1HZ LYS 16 0.328 4.096 -13.412
102 HZ3 LYS 16 2HZ LYS 16 1.954 4.560 -13.383
103 H GLU 17 H GLU 17 2.791 0.799 -6.123
104 HA GLU 17 HA GLU 17 5.101 2.053 -7.455
105 HB2 GLU 17 1HB GLU 17 3.961 2.500 -4.711
106 HB3 GLU 17 2HB GLU 17 5.651 2.844 -5.051
107 HG2 GLU 17 1HG GLU 17 3.377 4.025 -6.619
108 HG3 GLU 17 2HG GLU 17 4.093 4.798 -5.206
109 H CYS 18 H CYS 18 4.122 -0.052 -4.762
110 HA CYS 18 HA CYS 18 6.659 -1.512 -5.106
111 HB2 CYS 18 1HB CYS 18 6.497 -2.079 -2.677
112 HB3 CYS 18 2HB CYS 18 6.737 -0.363 -2.990
113 H GLY 19 H GLY 19 3.263 -1.767 -4.099
114 HA2 GLY 19 1HA GLY 19 2.196 -3.690 -5.455
115 HA3 GLY 19 2HA GLY 19 3.381 -4.664 -4.597
116 H LYS 20 H LYS 20 2.876 -2.608 -2.301
117 HA LYS 20 HA LYS 20 1.472 -4.144 -0.573
118 HB2 LYS 20 1HB LYS 20 2.561 -1.724 -0.362
119 HB3 LYS 20 2HB LYS 20 0.878 -1.226 -0.470
120 HG2 LYS 20 1HG LYS 20 0.348 -2.078 1.563
121 HG3 LYS 20 2HG LYS 20 1.528 -3.385 1.447
122 HD2 LYS 20 1HD LYS 20 2.098 -0.480 2.028
123 HD3 LYS 20 2HD LYS 20 2.214 -1.827 3.162
124 HE2 LYS 20 1HE LYS 20 3.873 -2.786 1.376
125 HE3 LYS 20 2HE LYS 20 3.998 -1.098 0.882
126 HZ1 LYS 20 3HZ LYS 20 5.282 -0.653 2.619
127 HZ2 LYS 20 1HZ LYS 20 5.371 -2.315 2.922
128 HZ3 LYS 20 2HZ LYS 20 4.206 -1.374 3.707
129 H ALA 21 H ALA 21 -0.650 -4.464 0.040
130 HA ALA 21 HA ALA 21 -2.659 -3.641 -1.947
131 HB1 ALA 21 3HB ALA 21 -3.940 -5.589 -0.691
132 HB2 ALA 21 1HB ALA 21 -2.798 -5.913 -1.996
133 HB3 ALA 21 2HB ALA 21 -2.293 -6.094 -0.316
134 H PHE 22 H PHE 22 -4.943 -3.538 -0.976
135 HA PHE 22 HA PHE 22 -5.145 -2.693 1.762
136 HB2 PHE 22 1HB PHE 22 -5.870 -0.578 -0.240
137 HB3 PHE 22 2HB PHE 22 -5.556 -0.412 1.484
138 HD1 PHE 22 HD1 PHE 22 -3.879 -1.221 -1.731
139 HD2 PHE 22 HD2 PHE 22 -3.479 0.297 2.225
140 HE1 PHE 22 HE1 PHE 22 -1.561 -0.559 -2.223
141 HE2 PHE 22 HE2 PHE 22 -1.161 0.962 1.739
142 HZ PHE 22 HZ PHE 22 -0.199 0.536 -0.488
143 H ARG 23 H ARG 23 -7.396 -1.980 2.289
144 HA ARG 23 HA ARG 23 -9.286 -3.541 0.680
145 HB2 ARG 23 1HB ARG 23 -9.800 -2.412 3.425
146 HB3 ARG 23 2HB ARG 23 -10.636 -3.731 2.617
147 HG2 ARG 23 1HG ARG 23 -9.343 -4.918 4.060
148 HG3 ARG 23 2HG ARG 23 -8.243 -4.833 2.683
149 HD2 ARG 23 1HD ARG 23 -6.930 -3.186 3.681
150 HD3 ARG 23 2HD ARG 23 -8.196 -2.736 4.822
151 HE ARG 23 HE ARG 23 -7.386 -5.411 5.253
152 HH11 ARG 23 1HH1 ARG 23 -6.337 -2.124 5.714
153 HH12 ARG 23 2HH1 ARG 23 -5.353 -2.493 7.092
154 HH21 ARG 23 1HH2 ARG 23 -6.094 -5.910 7.066
155 HH22 ARG 23 2HH2 ARG 23 -5.215 -4.647 7.859
156 H GLN 24 H GLN 24 -8.812 -0.349 2.109
157 HA GLN 24 HA GLN 24 -11.158 0.625 0.628
158 HB2 GLN 24 1HB GLN 24 -9.851 1.442 3.170
159 HB3 GLN 24 2HB GLN 24 -10.575 2.711 2.192
160 HG2 GLN 24 1HG GLN 24 -12.301 2.138 3.593
161 HG3 GLN 24 2HG GLN 24 -12.650 1.164 2.165
162 HE21 GLN 24 1HE2 GLN 24 -11.902 1.157 5.494
163 HE22 GLN 24 2HE2 GLN 24 -11.898 -0.554 5.727
164 H ASN 25 H ASN 25 -10.979 2.785 -0.348
165 HA ASN 25 HA ASN 25 -8.639 2.962 -1.973
166 HB2 ASN 25 1HB ASN 25 -10.583 3.629 -3.081
167 HB3 ASN 25 2HB ASN 25 -11.156 4.576 -1.711
168 HD21 ASN 25 1HD2 ASN 25 -9.046 4.496 -4.463
169 HD22 ASN 25 2HD2 ASN 25 -8.683 6.185 -4.491
170 H ILE 26 H ILE 26 -9.861 4.698 0.827
171 HA ILE 26 HA ILE 26 -8.102 6.882 0.775
172 HB ILE 26 HB ILE 26 -10.021 6.908 2.234
173 HG12 ILE 26 1HG1 ILE 26 -7.586 6.820 4.015
174 HG13 ILE 26 2HG1 ILE 26 -7.878 8.124 2.870
175 HG21 ILE 26 1HG2 ILE 26 -9.992 5.486 4.319
176 HG22 ILE 26 2HG2 ILE 26 -10.299 4.631 2.808
177 HG23 ILE 26 3HG2 ILE 26 -8.705 4.551 3.559
178 HD11 ILE 26 3HD1 ILE 26 -9.147 9.147 4.356
179 HD12 ILE 26 1HD1 ILE 26 -10.230 7.756 4.410
180 HD13 ILE 26 2HD1 ILE 26 -8.850 7.842 5.505
181 H HIS 27 H HIS 27 -7.727 3.611 1.997
182 HA HIS 27 HA HIS 27 -5.352 4.024 3.465
183 HB2 HIS 27 1HB HIS 27 -6.777 1.660 2.344
184 HB3 HIS 27 2HB HIS 27 -5.096 1.451 2.826
185 HD1 HIS 27 HD1 HIS 27 -4.712 0.956 5.227
186 HD2 HIS 27 HD2 HIS 27 -8.435 2.678 4.565
187 HE1 HIS 27 HE1 HIS 27 -5.883 0.902 7.452
188 H LEU 28 H LEU 28 -5.867 2.793 0.162
189 HA LEU 28 HA LEU 28 -3.175 2.474 -0.516
190 HB2 LEU 28 1HB LEU 28 -4.820 1.481 -1.895
191 HB3 LEU 28 2HB LEU 28 -5.622 3.026 -2.172
192 HG LEU 28 HG LEU 28 -3.632 3.753 -3.482
193 HD11 LEU 28 1HD1 LEU 28 -1.987 2.155 -4.172
194 HD12 LEU 28 2HD1 LEU 28 -2.811 0.859 -3.306
195 HD13 LEU 28 3HD1 LEU 28 -2.043 2.169 -2.409
196 HD21 LEU 28 3HD2 LEU 28 -5.574 2.945 -4.644
197 HD22 LEU 28 1HD2 LEU 28 -5.083 1.271 -4.390
198 HD23 LEU 28 2HD2 LEU 28 -4.132 2.318 -5.444
199 H ALA 29 H ALA 29 -5.345 5.183 -1.349
200 HA ALA 29 HA ALA 29 -3.450 6.833 -2.529
201 HB1 ALA 29 3HB ALA 29 -5.878 7.657 -0.941
202 HB2 ALA 29 1HB ALA 29 -4.986 8.678 -2.069
203 HB3 ALA 29 2HB ALA 29 -5.847 7.255 -2.658
204 H SER 30 H SER 30 -4.178 6.301 0.858
205 HA SER 30 HA SER 30 -2.632 8.514 1.813
206 HB2 SER 30 1HB SER 30 -4.493 7.564 3.125
207 HB3 SER 30 2HB SER 30 -3.601 6.052 3.288
208 HG SER 30 HG SER 30 -2.338 8.415 4.076
209 H HIS 31 H HIS 31 -1.930 5.316 0.790
210 HA HIS 31 HA HIS 31 0.623 5.222 2.189
211 HB2 HIS 31 1HB HIS 31 -0.416 3.114 2.155
212 HB3 HIS 31 2HB HIS 31 -0.893 3.276 0.468
213 HD1 HIS 31 HD1 HIS 31 2.163 2.631 2.591
214 HD2 HIS 31 HD2 HIS 31 0.904 2.281 -1.352
215 HE1 HIS 31 HE1 HIS 31 3.983 1.354 1.416
216 H LEU 32 H LEU 32 -0.499 5.001 -1.191
217 HA LEU 32 HA LEU 32 1.784 4.970 -2.597
218 HB2 LEU 32 1HB LEU 32 -0.584 6.761 -3.110
219 HB3 LEU 32 2HB LEU 32 0.686 6.431 -4.287
220 HG LEU 32 HG LEU 32 -1.021 4.257 -3.099
221 HD11 LEU 32 1HD1 LEU 32 -1.566 6.093 -5.394
222 HD12 LEU 32 2HD1 LEU 32 -2.657 5.521 -4.133
223 HD13 LEU 32 3HD1 LEU 32 -2.152 4.430 -5.423
224 HD21 LEU 32 3HD2 LEU 32 0.149 4.101 -5.804
225 HD22 LEU 32 1HD2 LEU 32 -0.015 2.861 -4.562
226 HD23 LEU 32 2HD2 LEU 32 1.285 4.047 -4.456
227 H ARG 33 H ARG 33 0.459 7.827 -0.987
228 HA ARG 33 HA ARG 33 2.163 9.782 -1.913
229 HB2 ARG 33 1HB ARG 33 1.855 10.815 0.408
230 HB3 ARG 33 2HB ARG 33 0.403 10.488 -0.527
231 HG2 ARG 33 1HG ARG 33 0.042 8.435 0.749
232 HG3 ARG 33 2HG ARG 33 1.497 8.770 1.690
233 HD2 ARG 33 1HD ARG 33 -0.320 9.510 3.007
234 HD3 ARG 33 2HD ARG 33 0.422 10.962 2.335
235 HE ARG 33 HE ARG 33 -1.706 10.014 0.698
236 HH11 ARG 33 1HH1 ARG 33 -1.003 11.775 3.618
237 HH12 ARG 33 2HH1 ARG 33 -2.474 12.689 3.576
238 HH21 ARG 33 1HH2 ARG 33 -3.646 11.211 0.632
239 HH22 ARG 33 2HH2 ARG 33 -3.977 12.367 1.877
240 H ILE 34 H ILE 34 2.698 7.524 0.772
241 HA ILE 34 HA ILE 34 5.053 8.432 1.809
242 HB ILE 34 HB ILE 34 5.484 6.285 2.634
243 HG12 ILE 34 1HG1 ILE 34 4.212 4.289 1.476
244 HG13 ILE 34 2HG1 ILE 34 4.218 5.363 0.082
245 HG21 ILE 34 1HG2 ILE 34 2.882 7.288 2.656
246 HG22 ILE 34 2HG2 ILE 34 2.708 5.558 2.363
247 HG23 ILE 34 3HG2 ILE 34 3.587 6.128 3.782
248 HD11 ILE 34 3HD1 ILE 34 6.815 5.118 1.387
249 HD12 ILE 34 1HD1 ILE 34 6.190 3.604 0.734
250 HD13 ILE 34 2HD1 ILE 34 6.381 5.006 -0.319
251 H HIS 35 H HIS 35 4.529 7.076 -1.325
252 HA HIS 35 HA HIS 35 7.333 6.548 -1.818
253 HB2 HIS 35 1HB HIS 35 4.876 6.413 -3.568
254 HB3 HIS 35 2HB HIS 35 6.500 6.092 -4.170
255 HD1 HIS 35 HD1 HIS 35 7.777 4.105 -2.695
256 HD2 HIS 35 HD2 HIS 35 3.623 4.188 -2.694
257 HE1 HIS 35 HE1 HIS 35 7.059 1.806 -1.971
258 H THR 36 H THR 36 4.944 9.004 -2.608
259 HA THR 36 HA THR 36 6.945 10.506 -4.133
260 HB THR 36 HB THR 36 4.659 10.190 -5.102
261 HG1 THR 36 HG1 THR 36 5.308 11.951 -6.072
262 HG21 THR 36 3HG2 THR 36 3.769 10.822 -2.584
263 HG22 THR 36 1HG2 THR 36 2.777 10.801 -4.041
264 HG23 THR 36 2HG2 THR 36 3.481 12.316 -3.476
265 H GLY 37 H GLY 37 7.226 10.268 -1.284
266 HA2 GLY 37 1HA GLY 37 6.236 12.378 0.215
267 HA3 GLY 37 2HA GLY 37 7.798 11.618 0.484
268 H GLU 38 H GLU 38 7.388 14.304 1.005
269 HA GLU 38 HA GLU 38 8.848 15.618 -1.191
270 HB2 GLU 38 1HB GLU 38 6.940 16.751 0.853
271 HB3 GLU 38 2HB GLU 38 7.981 17.759 -0.142
272 HG2 GLU 38 1HG GLU 38 6.932 16.800 -2.156
273 HG3 GLU 38 2HG GLU 38 5.841 15.884 -1.119
274 H LYS 39 H LYS 39 10.052 17.662 -0.210
275 HA LYS 39 HA LYS 39 12.290 16.817 1.103
276 HB2 LYS 39 1HB LYS 39 12.252 18.974 0.058
277 HB3 LYS 39 2HB LYS 39 10.983 19.538 1.137
278 HG2 LYS 39 1HG LYS 39 12.742 19.049 3.000
279 HG3 LYS 39 2HG LYS 39 13.892 19.162 1.665
280 HD2 LYS 39 1HD LYS 39 13.478 21.393 1.317
281 HD3 LYS 39 2HD LYS 39 11.837 21.298 1.961
282 HE2 LYS 39 1HE LYS 39 13.106 22.523 3.540
283 HE3 LYS 39 2HE LYS 39 12.876 20.916 4.227
284 HZ1 LYS 39 3HZ LYS 39 15.300 21.513 2.666
285 HZ2 LYS 39 1HZ LYS 39 15.068 20.357 3.880
286 HZ3 LYS 39 2HZ LYS 39 15.202 21.994 4.285
287 HA PRO 40 HA PRO 40 10.561 15.896 5.141
288 HB2 PRO 40 1HB PRO 40 12.820 14.740 6.105
289 HB3 PRO 40 2HB PRO 40 11.696 13.902 5.027
290 HG2 PRO 40 1HG PRO 40 14.284 15.262 4.380
291 HG3 PRO 40 2HG PRO 40 13.660 13.709 3.796
292 HD2 PRO 40 1HD PRO 40 13.534 15.977 2.321
293 HD3 PRO 40 2HD PRO 40 12.301 14.704 2.222
294 H SER 41 H SER 41 11.184 16.419 7.376
295 HA SER 41 HA SER 41 12.169 19.094 7.560
296 HB2 SER 41 1HB SER 41 10.428 18.509 9.070
297 HB3 SER 41 2HB SER 41 11.288 17.072 9.622
298 HG SER 41 HG SER 41 11.324 19.379 10.766
299 H GLY 42 H GLY 42 13.311 16.015 8.964
300 HA2 GLY 42 1HA GLY 42 16.061 16.801 8.533
301 HA3 GLY 42 2HA GLY 42 15.582 16.755 10.223
302 HA PRO 43 HA PRO 43 16.712 12.505 10.235
303 HB2 PRO 43 1HB PRO 43 15.375 11.728 12.467
304 HB3 PRO 43 2HB PRO 43 16.847 12.706 12.520
305 HG2 PRO 43 1HG PRO 43 13.989 13.570 12.744
306 HG3 PRO 43 2HG PRO 43 15.394 14.095 13.690
307 HD2 PRO 43 1HD PRO 43 14.379 15.562 11.653
308 HD3 PRO 43 2HD PRO 43 16.108 15.554 12.055
309 H SER 44 H SER 44 15.945 10.628 9.414
310 HA SER 44 HA SER 44 13.546 10.507 8.039
311 HB2 SER 44 1HB SER 44 15.611 8.986 7.839
312 HB3 SER 44 2HB SER 44 14.889 8.044 9.143
313 HG SER 44 HG SER 44 14.280 7.240 7.100
314 H SER 45 H SER 45 11.512 9.800 8.472
315 HA SER 45 HA SER 45 10.755 9.641 11.256
316 HB2 SER 45 1HB SER 45 8.435 9.546 10.354
317 HB3 SER 45 2HB SER 45 9.348 10.930 9.753
318 HG SER 45 HG SER 45 8.072 9.391 8.251
319 H GLY 46 H GLY 46 12.372 7.509 10.662
320 HA2 GLY 46 1HA GLY 46 12.466 5.240 11.010
321 HA3 GLY 46 2HA GLY 46 10.777 5.319 11.489
Start of MODEL 17
1 H1 GLY 1 H GLY 1 5.948 -16.635 3.591
2 HA2 GLY 1 1HA GLY 1 5.882 -17.574 6.064
3 HA3 GLY 1 2HA GLY 1 6.056 -15.859 6.404
4 H SER 2 H SER 2 4.055 -18.058 4.440
5 HA SER 2 HA SER 2 1.647 -16.921 5.537
6 HB2 SER 2 1HB SER 2 2.558 -16.274 2.762
7 HB3 SER 2 2HB SER 2 0.835 -16.506 3.057
8 HG SER 2 HG SER 2 1.432 -14.964 4.950
9 H SER 3 H SER 3 0.190 -18.489 5.715
10 HA SER 3 HA SER 3 0.654 -21.005 4.326
11 HB2 SER 3 1HB SER 3 -0.954 -21.955 5.884
12 HB3 SER 3 2HB SER 3 0.217 -20.982 6.775
13 HG SER 3 HG SER 3 -2.117 -19.730 5.899
14 H GLY 4 H GLY 4 -1.488 -18.294 4.243
15 HA2 GLY 4 1HA GLY 4 -2.591 -18.942 1.762
16 HA3 GLY 4 2HA GLY 4 -3.714 -19.503 2.992
17 H SER 5 H SER 5 -5.341 -18.119 3.155
18 HA SER 5 HA SER 5 -4.714 -15.261 3.415
19 HB2 SER 5 1HB SER 5 -5.489 -15.443 1.160
20 HB3 SER 5 2HB SER 5 -6.824 -16.492 1.636
21 HG SER 5 HG SER 5 -7.949 -14.803 2.227
22 H SER 6 H SER 6 -5.251 -14.808 5.448
23 HA SER 6 HA SER 6 -7.403 -16.193 6.788
24 HB2 SER 6 1HB SER 6 -5.671 -13.908 7.763
25 HB3 SER 6 2HB SER 6 -6.731 -14.906 8.758
26 HG SER 6 HG SER 6 -4.648 -16.015 7.203
27 H GLY 7 H GLY 7 -8.515 -14.938 4.678
28 HA2 GLY 7 1HA GLY 7 -10.533 -13.363 5.852
29 HA3 GLY 7 2HA GLY 7 -9.386 -12.301 5.048
30 H SER 8 H SER 8 -12.275 -13.200 4.545
31 HA SER 8 HA SER 8 -12.100 -14.476 1.955
32 HB2 SER 8 1HB SER 8 -13.970 -14.858 3.641
33 HB3 SER 8 2HB SER 8 -14.563 -13.255 3.206
34 HG SER 8 HG SER 8 -15.546 -14.953 1.988
35 H GLY 9 H GLY 9 -11.657 -13.387 0.164
36 HA2 GLY 9 1HA GLY 9 -12.366 -11.736 -1.451
37 HA3 GLY 9 2HA GLY 9 -12.724 -10.653 -0.113
38 H GLU 10 H GLU 10 -10.639 -11.154 -2.571
39 HA GLU 10 HA GLU 10 -8.174 -10.471 -1.242
40 HB2 GLU 10 1HB GLU 10 -7.169 -10.534 -3.411
41 HB3 GLU 10 2HB GLU 10 -8.293 -11.882 -3.309
42 HG2 GLU 10 1HG GLU 10 -9.860 -10.820 -4.703
43 HG3 GLU 10 2HG GLU 10 -9.046 -9.263 -4.561
44 H LYS 11 H LYS 11 -7.167 -8.511 -1.172
45 HA LYS 11 HA LYS 11 -8.732 -6.183 -1.213
46 HB2 LYS 11 1HB LYS 11 -5.795 -6.731 -1.021
47 HB3 LYS 11 2HB LYS 11 -6.350 -5.075 -1.234
48 HG2 LYS 11 1HG LYS 11 -7.306 -4.978 0.840
49 HG3 LYS 11 2HG LYS 11 -7.582 -6.720 0.915
50 HD2 LYS 11 1HD LYS 11 -4.772 -5.753 0.841
51 HD3 LYS 11 2HD LYS 11 -5.682 -5.539 2.338
52 HE2 LYS 11 1HE LYS 11 -4.628 -7.616 2.581
53 HE3 LYS 11 2HE LYS 11 -6.283 -8.011 2.118
54 HZ1 LYS 11 3HZ LYS 11 -3.990 -7.896 0.235
55 HZ2 LYS 11 1HZ LYS 11 -5.567 -8.391 -0.126
56 HZ3 LYS 11 2HZ LYS 11 -4.607 -9.318 0.913
57 HA PRO 12 HA PRO 12 -8.727 -5.472 -5.617
58 HB2 PRO 12 1HB PRO 12 -10.190 -3.187 -5.520
59 HB3 PRO 12 2HB PRO 12 -10.907 -4.794 -5.356
60 HG2 PRO 12 1HG PRO 12 -10.177 -2.820 -3.227
61 HG3 PRO 12 2HG PRO 12 -11.632 -3.823 -3.372
62 HD2 PRO 12 1HD PRO 12 -9.575 -4.469 -1.734
63 HD3 PRO 12 2HD PRO 12 -10.579 -5.694 -2.536
64 H PHE 13 H PHE 13 -8.022 -2.921 -3.248
65 HA PHE 13 HA PHE 13 -6.596 -1.316 -5.164
66 HB2 PHE 13 1HB PHE 13 -6.630 -1.065 -2.150
67 HB3 PHE 13 2HB PHE 13 -6.140 0.170 -3.305
68 HD1 PHE 13 HD1 PHE 13 -7.887 1.095 -4.883
69 HD2 PHE 13 HD2 PHE 13 -8.855 -1.270 -1.479
70 HE1 PHE 13 HE1 PHE 13 -10.195 1.946 -4.953
71 HE2 PHE 13 HE2 PHE 13 -11.165 -0.424 -1.544
72 HZ PHE 13 HZ PHE 13 -11.837 1.185 -3.283
73 H LYS 14 H LYS 14 -4.543 -1.531 -5.739
74 HA LYS 14 HA LYS 14 -2.626 -2.698 -3.862
75 HB2 LYS 14 1HB LYS 14 -3.329 -4.580 -5.217
76 HB3 LYS 14 2HB LYS 14 -3.065 -3.662 -6.693
77 HG2 LYS 14 1HG LYS 14 -0.742 -3.758 -6.477
78 HG3 LYS 14 2HG LYS 14 -0.830 -4.210 -4.773
79 HD2 LYS 14 1HD LYS 14 -0.319 -6.231 -5.761
80 HD3 LYS 14 2HD LYS 14 -2.081 -6.311 -5.690
81 HE2 LYS 14 1HE LYS 14 -0.655 -5.235 -8.101
82 HE3 LYS 14 2HE LYS 14 -0.918 -6.965 -7.887
83 HZ1 LYS 14 3HZ LYS 14 -3.295 -5.438 -7.441
84 HZ2 LYS 14 1HZ LYS 14 -3.041 -6.762 -8.464
85 HZ3 LYS 14 2HZ LYS 14 -2.673 -5.199 -8.996
86 H CYS 15 H CYS 15 -1.070 -1.241 -3.650
87 HA CYS 15 HA CYS 15 -0.619 0.994 -5.160
88 HB2 CYS 15 1HB CYS 15 0.419 0.505 -2.949
89 HB3 CYS 15 2HB CYS 15 1.532 -0.598 -3.751
90 H LYS 16 H LYS 16 0.378 1.502 -7.024
91 HA LYS 16 HA LYS 16 1.351 -0.708 -8.668
92 HB2 LYS 16 1HB LYS 16 0.728 2.160 -9.397
93 HB3 LYS 16 2HB LYS 16 1.206 0.904 -10.532
94 HG2 LYS 16 1HG LYS 16 -1.234 0.659 -8.800
95 HG3 LYS 16 2HG LYS 16 -1.264 1.438 -10.384
96 HD2 LYS 16 1HD LYS 16 -0.338 -0.654 -11.362
97 HD3 LYS 16 2HD LYS 16 -0.492 -1.415 -9.777
98 HE2 LYS 16 1HE LYS 16 -2.465 -2.068 -10.736
99 HE3 LYS 16 2HE LYS 16 -2.972 -0.560 -9.976
100 HZ1 LYS 16 3HZ LYS 16 -3.767 -0.707 -12.247
101 HZ2 LYS 16 1HZ LYS 16 -2.186 -0.885 -12.822
102 HZ3 LYS 16 2HZ LYS 16 -2.663 0.565 -12.095
103 H GLU 17 H GLU 17 2.901 0.527 -6.438
104 HA GLU 17 HA GLU 17 5.270 1.293 -8.012
105 HB2 GLU 17 1HB GLU 17 4.217 2.457 -5.450
106 HB3 GLU 17 2HB GLU 17 5.923 2.570 -5.857
107 HG2 GLU 17 1HG GLU 17 3.741 3.532 -7.681
108 HG3 GLU 17 2HG GLU 17 4.503 4.553 -6.463
109 H CYS 18 H CYS 18 4.112 -0.121 -4.972
110 HA CYS 18 HA CYS 18 6.627 -1.647 -4.807
111 HB2 CYS 18 1HB CYS 18 6.121 -1.891 -2.389
112 HB3 CYS 18 2HB CYS 18 6.327 -0.212 -2.877
113 H GLY 19 H GLY 19 3.120 -1.865 -4.259
114 HA2 GLY 19 1HA GLY 19 2.036 -3.807 -5.375
115 HA3 GLY 19 2HA GLY 19 3.345 -4.777 -4.715
116 H LYS 20 H LYS 20 2.159 -2.285 -2.689
117 HA LYS 20 HA LYS 20 1.200 -4.220 -0.785
118 HB2 LYS 20 1HB LYS 20 2.448 -1.941 -0.388
119 HB3 LYS 20 2HB LYS 20 0.823 -1.271 -0.444
120 HG2 LYS 20 1HG LYS 20 1.306 -3.607 1.323
121 HG3 LYS 20 2HG LYS 20 1.940 -2.036 1.819
122 HD2 LYS 20 1HD LYS 20 -0.256 -1.059 1.720
123 HD3 LYS 20 2HD LYS 20 -0.929 -2.539 1.032
124 HE2 LYS 20 1HE LYS 20 0.404 -2.456 3.728
125 HE3 LYS 20 2HE LYS 20 -1.319 -2.153 3.510
126 HZ1 LYS 20 3HZ LYS 20 -1.668 -4.325 2.751
127 HZ2 LYS 20 1HZ LYS 20 -0.634 -4.504 4.078
128 HZ3 LYS 20 2HZ LYS 20 -0.020 -4.615 2.506
129 H ALA 21 H ALA 21 -0.839 -4.838 -0.447
130 HA ALA 21 HA ALA 21 -2.942 -3.620 -2.065
131 HB1 ALA 21 3HB ALA 21 -4.250 -5.585 -1.558
132 HB2 ALA 21 1HB ALA 21 -2.645 -6.069 -2.106
133 HB3 ALA 21 2HB ALA 21 -3.044 -6.124 -0.389
134 H PHE 22 H PHE 22 -4.947 -2.964 -1.182
135 HA PHE 22 HA PHE 22 -4.995 -2.532 1.721
136 HB2 PHE 22 1HB PHE 22 -5.865 -0.388 -0.209
137 HB3 PHE 22 2HB PHE 22 -5.576 -0.246 1.522
138 HD1 PHE 22 HD1 PHE 22 -3.883 -0.830 -1.722
139 HD2 PHE 22 HD2 PHE 22 -3.485 0.391 2.336
140 HE1 PHE 22 HE1 PHE 22 -1.579 -0.093 -2.174
141 HE2 PHE 22 HE2 PHE 22 -1.181 1.131 1.891
142 HZ PHE 22 HZ PHE 22 -0.225 0.891 -0.366
143 H ARG 23 H ARG 23 -7.155 -2.025 2.555
144 HA ARG 23 HA ARG 23 -9.152 -3.635 1.205
145 HB2 ARG 23 1HB ARG 23 -8.933 -2.379 3.921
146 HB3 ARG 23 2HB ARG 23 -10.485 -2.965 3.339
147 HG2 ARG 23 1HG ARG 23 -9.558 -5.197 3.062
148 HG3 ARG 23 2HG ARG 23 -7.981 -4.617 3.603
149 HD2 ARG 23 1HD ARG 23 -8.936 -4.036 5.775
150 HD3 ARG 23 2HD ARG 23 -10.520 -4.590 5.233
151 HE ARG 23 HE ARG 23 -8.285 -6.228 6.055
152 HH11 ARG 23 1HH1 ARG 23 -11.327 -6.096 4.367
153 HH12 ARG 23 2HH1 ARG 23 -11.632 -7.795 4.514
154 HH21 ARG 23 1HH2 ARG 23 -8.675 -8.467 6.256
155 HH22 ARG 23 2HH2 ARG 23 -10.123 -9.142 5.591
156 H GLN 24 H GLN 24 -8.751 -0.279 2.267
157 HA GLN 24 HA GLN 24 -11.050 0.445 0.572
158 HB2 GLN 24 1HB GLN 24 -10.037 1.910 3.014
159 HB3 GLN 24 2HB GLN 24 -11.435 2.353 2.043
160 HG2 GLN 24 1HG GLN 24 -11.172 -0.221 3.580
161 HG3 GLN 24 2HG GLN 24 -12.004 1.219 4.165
162 HE21 GLN 24 1HE2 GLN 24 -13.875 1.940 3.015
163 HE22 GLN 24 2HE2 GLN 24 -14.832 0.814 2.121
164 H ASN 25 H ASN 25 -10.891 2.304 -0.709
165 HA ASN 25 HA ASN 25 -8.435 2.775 -1.930
166 HB2 ASN 25 1HB ASN 25 -9.518 4.639 -3.061
167 HB3 ASN 25 2HB ASN 25 -10.629 3.276 -2.963
168 HD21 ASN 25 1HD2 ASN 25 -10.210 6.542 -2.392
169 HD22 ASN 25 2HD2 ASN 25 -11.621 6.823 -1.435
170 H ILE 26 H ILE 26 -10.018 4.454 0.726
171 HA ILE 26 HA ILE 26 -8.493 6.751 0.892
172 HB ILE 26 HB ILE 26 -10.328 6.597 2.357
173 HG12 ILE 26 1HG1 ILE 26 -7.981 6.194 4.209
174 HG13 ILE 26 2HG1 ILE 26 -8.193 7.661 3.261
175 HG21 ILE 26 1HG2 ILE 26 -10.988 4.597 3.062
176 HG22 ILE 26 2HG2 ILE 26 -9.404 3.901 2.727
177 HG23 ILE 26 3HG2 ILE 26 -9.720 4.665 4.285
178 HD11 ILE 26 3HD1 ILE 26 -9.049 7.484 5.735
179 HD12 ILE 26 1HD1 ILE 26 -9.954 8.378 4.513
180 HD13 ILE 26 2HD1 ILE 26 -10.448 6.744 4.958
181 H HIS 27 H HIS 27 -7.707 3.487 1.927
182 HA HIS 27 HA HIS 27 -5.368 4.164 3.389
183 HB2 HIS 27 1HB HIS 27 -6.208 1.563 2.095
184 HB3 HIS 27 2HB HIS 27 -4.829 1.737 3.177
185 HD1 HIS 27 HD1 HIS 27 -6.290 -0.121 4.544
186 HD2 HIS 27 HD2 HIS 27 -7.748 3.769 4.491
187 HE1 HIS 27 HE1 HIS 27 -7.929 0.009 6.447
188 H LEU 28 H LEU 28 -5.816 2.809 0.122
189 HA LEU 28 HA LEU 28 -3.180 2.691 -0.673
190 HB2 LEU 28 1HB LEU 28 -4.759 1.742 -2.108
191 HB3 LEU 28 2HB LEU 28 -5.717 3.219 -2.176
192 HG LEU 28 HG LEU 28 -3.882 4.263 -3.506
193 HD11 LEU 28 1HD1 LEU 28 -2.148 2.619 -2.662
194 HD12 LEU 28 2HD1 LEU 28 -2.112 2.986 -4.386
195 HD13 LEU 28 3HD1 LEU 28 -2.817 1.471 -3.823
196 HD21 LEU 28 3HD2 LEU 28 -5.401 3.705 -5.048
197 HD22 LEU 28 1HD2 LEU 28 -5.678 2.116 -4.333
198 HD23 LEU 28 2HD2 LEU 28 -4.321 2.364 -5.432
199 H ALA 29 H ALA 29 -5.422 5.419 -1.168
200 HA ALA 29 HA ALA 29 -3.604 7.176 -2.341
201 HB1 ALA 29 3HB ALA 29 -5.675 8.044 -2.555
202 HB2 ALA 29 1HB ALA 29 -6.214 7.425 -0.993
203 HB3 ALA 29 2HB ALA 29 -5.239 8.894 -1.072
204 H SER 30 H SER 30 -4.183 6.405 1.030
205 HA SER 30 HA SER 30 -2.558 8.560 2.029
206 HB2 SER 30 1HB SER 30 -4.534 7.240 3.187
207 HB3 SER 30 2HB SER 30 -3.230 6.167 3.695
208 HG SER 30 HG SER 30 -3.860 8.686 4.556
209 H HIS 31 H HIS 31 -1.956 5.498 0.724
210 HA HIS 31 HA HIS 31 0.568 5.146 2.151
211 HB2 HIS 31 1HB HIS 31 -0.596 3.104 1.912
212 HB3 HIS 31 2HB HIS 31 -0.986 3.428 0.225
213 HD1 HIS 31 HD1 HIS 31 1.684 2.068 2.425
214 HD2 HIS 31 HD2 HIS 31 1.103 2.901 -1.604
215 HE1 HIS 31 HE1 HIS 31 3.564 0.910 1.221
216 H LEU 32 H LEU 32 -0.593 5.451 -1.201
217 HA LEU 32 HA LEU 32 1.740 5.408 -2.599
218 HB2 LEU 32 1HB LEU 32 -0.570 7.303 -2.999
219 HB3 LEU 32 2HB LEU 32 0.691 6.986 -4.189
220 HG LEU 32 HG LEU 32 -1.047 4.776 -3.140
221 HD11 LEU 32 1HD1 LEU 32 -2.501 6.585 -3.994
222 HD12 LEU 32 2HD1 LEU 32 -2.575 5.116 -4.967
223 HD13 LEU 32 3HD1 LEU 32 -1.647 6.504 -5.535
224 HD21 LEU 32 3HD2 LEU 32 0.387 3.635 -4.414
225 HD22 LEU 32 1HD2 LEU 32 1.025 5.102 -5.157
226 HD23 LEU 32 2HD2 LEU 32 -0.441 4.358 -5.795
227 H ARG 33 H ARG 33 0.440 8.134 -0.760
228 HA ARG 33 HA ARG 33 2.168 10.143 -1.497
229 HB2 ARG 33 1HB ARG 33 1.631 11.230 0.542
230 HB3 ARG 33 2HB ARG 33 0.211 10.290 0.102
231 HG2 ARG 33 1HG ARG 33 0.831 8.568 1.700
232 HG3 ARG 33 2HG ARG 33 2.293 9.465 2.115
233 HD2 ARG 33 1HD ARG 33 -0.353 10.821 2.335
234 HD3 ARG 33 2HD ARG 33 0.121 9.665 3.579
235 HE ARG 33 HE ARG 33 2.277 11.256 3.436
236 HH11 ARG 33 1HH1 ARG 33 -1.123 11.952 3.706
237 HH12 ARG 33 2HH1 ARG 33 -0.885 13.425 4.585
238 HH21 ARG 33 1HH2 ARG 33 2.604 13.194 4.594
239 HH22 ARG 33 2HH2 ARG 33 1.235 14.131 5.089
240 H ILE 34 H ILE 34 2.731 7.475 0.728
241 HA ILE 34 HA ILE 34 5.095 8.312 1.917
242 HB ILE 34 HB ILE 34 5.493 6.087 2.534
243 HG12 ILE 34 1HG1 ILE 34 4.062 4.274 1.189
244 HG13 ILE 34 2HG1 ILE 34 4.242 5.464 -0.095
245 HG21 ILE 34 1HG2 ILE 34 3.630 6.020 3.734
246 HG22 ILE 34 2HG2 ILE 34 2.846 7.104 2.586
247 HG23 ILE 34 3HG2 ILE 34 2.756 5.358 2.353
248 HD11 ILE 34 3HD1 ILE 34 6.777 5.111 1.100
249 HD12 ILE 34 1HD1 ILE 34 6.094 3.514 0.798
250 HD13 ILE 34 2HD1 ILE 34 6.254 4.669 -0.525
251 H HIS 35 H HIS 35 4.508 7.154 -1.303
252 HA HIS 35 HA HIS 35 7.254 6.576 -1.907
253 HB2 HIS 35 1HB HIS 35 4.754 6.816 -3.567
254 HB3 HIS 35 2HB HIS 35 6.335 6.601 -4.313
255 HD1 HIS 35 HD1 HIS 35 7.641 4.353 -3.514
256 HD2 HIS 35 HD2 HIS 35 3.551 4.503 -2.800
257 HE1 HIS 35 HE1 HIS 35 6.941 1.972 -3.108
258 H THR 36 H THR 36 5.097 9.318 -2.274
259 HA THR 36 HA THR 36 7.244 10.845 -3.574
260 HB THR 36 HB THR 36 5.063 10.859 -4.724
261 HG1 THR 36 HG1 THR 36 6.418 13.070 -3.848
262 HG21 THR 36 3HG2 THR 36 3.827 10.771 -2.424
263 HG22 THR 36 1HG2 THR 36 3.093 11.623 -3.781
264 HG23 THR 36 2HG2 THR 36 3.926 12.529 -2.518
265 H GLY 37 H GLY 37 8.378 12.267 -2.428
266 HA2 GLY 37 1HA GLY 37 7.166 13.347 0.041
267 HA3 GLY 37 2HA GLY 37 8.839 12.813 -0.017
268 H GLU 38 H GLU 38 9.813 13.867 -2.289
269 HA GLU 38 HA GLU 38 9.338 16.761 -2.009
270 HB2 GLU 38 1HB GLU 38 11.961 15.305 -2.362
271 HB3 GLU 38 2HB GLU 38 11.780 17.044 -2.545
272 HG2 GLU 38 1HG GLU 38 11.226 17.322 -0.264
273 HG3 GLU 38 2HG GLU 38 11.030 15.586 -0.030
274 H LYS 39 H LYS 39 9.388 18.003 -3.863
275 HA LYS 39 HA LYS 39 10.092 16.852 -6.411
276 HB2 LYS 39 1HB LYS 39 7.652 16.157 -5.764
277 HB3 LYS 39 2HB LYS 39 7.262 17.815 -6.200
278 HG2 LYS 39 1HG LYS 39 6.860 16.490 -8.113
279 HG3 LYS 39 2HG LYS 39 8.352 17.383 -8.420
280 HD2 LYS 39 1HD LYS 39 9.495 15.250 -7.443
281 HD3 LYS 39 2HD LYS 39 7.961 14.474 -7.843
282 HE2 LYS 39 1HE LYS 39 8.190 15.181 -10.159
283 HE3 LYS 39 2HE LYS 39 9.689 16.023 -9.772
284 HZ1 LYS 39 3HZ LYS 39 9.236 13.095 -9.575
285 HZ2 LYS 39 1HZ LYS 39 10.668 13.890 -9.154
286 HZ3 LYS 39 2HZ LYS 39 10.146 13.884 -10.763
287 HA PRO 40 HA PRO 40 11.052 21.131 -6.990
288 HB2 PRO 40 1HB PRO 40 11.683 20.993 -9.627
289 HB3 PRO 40 2HB PRO 40 12.752 20.398 -8.351
290 HG2 PRO 40 1HG PRO 40 10.865 18.873 -10.106
291 HG3 PRO 40 2HG PRO 40 12.521 18.464 -9.621
292 HD2 PRO 40 1HD PRO 40 10.345 17.364 -8.443
293 HD3 PRO 40 2HD PRO 40 11.857 17.668 -7.563
294 H SER 41 H SER 41 8.505 19.433 -8.522
295 HA SER 41 HA SER 41 7.507 21.793 -9.915
296 HB2 SER 41 1HB SER 41 5.713 20.239 -10.708
297 HB3 SER 41 2HB SER 41 7.340 19.710 -11.133
298 HG SER 41 HG SER 41 5.784 18.123 -10.160
299 H GLY 42 H GLY 42 6.945 19.930 -7.036
300 HA2 GLY 42 1HA GLY 42 4.351 20.513 -6.362
301 HA3 GLY 42 2HA GLY 42 5.655 20.398 -5.190
302 HA PRO 43 HA PRO 43 5.390 24.669 -4.262
303 HB2 PRO 43 1HB PRO 43 7.980 25.475 -4.146
304 HB3 PRO 43 2HB PRO 43 7.242 24.432 -2.924
305 HG2 PRO 43 1HG PRO 43 8.985 23.692 -5.242
306 HG3 PRO 43 2HG PRO 43 9.029 23.093 -3.573
307 HD2 PRO 43 1HD PRO 43 7.882 21.699 -5.592
308 HD3 PRO 43 2HD PRO 43 7.286 21.626 -3.922
309 H SER 44 H SER 44 6.277 23.683 -7.269
310 HA SER 44 HA SER 44 7.505 25.554 -8.705
311 HB2 SER 44 1HB SER 44 5.886 25.170 -10.551
312 HB3 SER 44 2HB SER 44 6.383 23.671 -9.766
313 HG SER 44 HG SER 44 4.297 23.381 -9.628
314 H SER 45 H SER 45 4.173 25.909 -7.530
315 HA SER 45 HA SER 45 4.149 28.697 -8.402
316 HB2 SER 45 1HB SER 45 1.752 28.633 -7.736
317 HB3 SER 45 2HB SER 45 2.162 27.398 -8.926
318 HG SER 45 HG SER 45 1.724 25.895 -7.514
319 H GLY 46 H GLY 46 5.210 29.990 -7.018
320 HA2 GLY 46 1HA GLY 46 4.941 31.342 -5.036
321 HA3 GLY 46 2HA GLY 46 4.354 29.913 -4.198
Start of MODEL 18
1 H1 GLY 1 H GLY 1 10.400 -30.002 -4.494
2 HA2 GLY 1 1HA GLY 1 10.376 -27.384 -3.505
3 HA3 GLY 1 2HA GLY 1 10.993 -27.325 -5.150
4 H SER 2 H SER 2 9.587 -27.353 -6.806
5 HA SER 2 HA SER 2 7.616 -27.308 -7.940
6 HB2 SER 2 1HB SER 2 7.168 -29.476 -5.935
7 HB3 SER 2 2HB SER 2 5.784 -28.896 -6.861
8 HG SER 2 HG SER 2 7.116 -29.292 -8.764
9 H SER 3 H SER 3 8.050 -25.243 -6.144
10 HA SER 3 HA SER 3 5.296 -24.637 -5.304
11 HB2 SER 3 1HB SER 3 6.968 -25.175 -3.399
12 HB3 SER 3 2HB SER 3 7.671 -23.602 -3.773
13 HG SER 3 HG SER 3 5.768 -23.926 -2.158
14 H GLY 4 H GLY 4 5.176 -22.150 -4.791
15 HA2 GLY 4 1HA GLY 4 6.891 -20.457 -6.347
16 HA3 GLY 4 2HA GLY 4 5.344 -20.738 -7.131
17 H SER 5 H SER 5 3.391 -20.235 -5.831
18 HA SER 5 HA SER 5 3.829 -18.220 -3.756
19 HB2 SER 5 1HB SER 5 3.649 -17.036 -5.952
20 HB3 SER 5 2HB SER 5 2.036 -17.724 -6.145
21 HG SER 5 HG SER 5 2.933 -15.911 -4.161
22 H SER 6 H SER 6 2.209 -18.081 -2.247
23 HA SER 6 HA SER 6 0.343 -20.292 -2.202
24 HB2 SER 6 1HB SER 6 1.522 -19.774 -0.149
25 HB3 SER 6 2HB SER 6 0.934 -18.112 -0.186
26 HG SER 6 HG SER 6 -0.350 -19.295 1.212
27 H GLY 7 H GLY 7 0.194 -16.747 -2.228
28 HA2 GLY 7 1HA GLY 7 -1.526 -15.301 -2.701
29 HA3 GLY 7 2HA GLY 7 -2.072 -16.549 -3.813
30 H SER 8 H SER 8 -2.541 -15.043 -0.741
31 HA SER 8 HA SER 8 -4.958 -16.681 -0.349
32 HB2 SER 8 1HB SER 8 -3.168 -17.191 1.325
33 HB3 SER 8 2HB SER 8 -3.251 -15.513 1.861
34 HG SER 8 HG SER 8 -4.590 -17.268 2.952
35 H GLY 9 H GLY 9 -3.416 -13.584 0.508
36 HA2 GLY 9 1HA GLY 9 -5.758 -12.264 1.319
37 HA3 GLY 9 2HA GLY 9 -4.290 -11.477 0.758
38 H GLU 10 H GLU 10 -7.271 -11.053 0.291
39 HA GLU 10 HA GLU 10 -7.073 -10.843 -2.638
40 HB2 GLU 10 1HB GLU 10 -9.466 -11.701 -1.010
41 HB3 GLU 10 2HB GLU 10 -9.570 -11.209 -2.694
42 HG2 GLU 10 1HG GLU 10 -8.160 -13.596 -1.545
43 HG3 GLU 10 2HG GLU 10 -9.507 -13.564 -2.682
44 H LYS 11 H LYS 11 -6.339 -8.677 -2.228
45 HA LYS 11 HA LYS 11 -8.419 -6.848 -1.238
46 HB2 LYS 11 1HB LYS 11 -5.443 -6.762 -1.279
47 HB3 LYS 11 2HB LYS 11 -6.302 -5.234 -1.432
48 HG2 LYS 11 1HG LYS 11 -6.067 -5.323 0.827
49 HG3 LYS 11 2HG LYS 11 -7.613 -6.158 0.661
50 HD2 LYS 11 1HD LYS 11 -6.500 -7.622 2.030
51 HD3 LYS 11 2HD LYS 11 -6.068 -8.279 0.450
52 HE2 LYS 11 1HE LYS 11 -3.913 -7.416 0.543
53 HE3 LYS 11 2HE LYS 11 -4.342 -6.213 1.759
54 HZ1 LYS 11 3HZ LYS 11 -4.271 -9.137 2.266
55 HZ2 LYS 11 1HZ LYS 11 -4.489 -7.911 3.411
56 HZ3 LYS 11 2HZ LYS 11 -3.000 -8.081 2.627
57 HA PRO 12 HA PRO 12 -9.150 -5.525 -5.389
58 HB2 PRO 12 1HB PRO 12 -10.486 -3.233 -4.813
59 HB3 PRO 12 2HB PRO 12 -11.208 -4.836 -4.636
60 HG2 PRO 12 1HG PRO 12 -9.997 -3.064 -2.550
61 HG3 PRO 12 2HG PRO 12 -11.484 -4.026 -2.473
62 HD2 PRO 12 1HD PRO 12 -9.161 -4.843 -1.348
63 HD3 PRO 12 2HD PRO 12 -10.347 -5.979 -2.023
64 H PHE 13 H PHE 13 -7.920 -3.176 -3.023
65 HA PHE 13 HA PHE 13 -6.680 -1.627 -5.163
66 HB2 PHE 13 1HB PHE 13 -6.691 -1.084 -2.188
67 HB3 PHE 13 2HB PHE 13 -6.204 0.033 -3.459
68 HD1 PHE 13 HD1 PHE 13 -7.965 0.775 -5.131
69 HD2 PHE 13 HD2 PHE 13 -8.905 -1.189 -1.474
70 HE1 PHE 13 HE1 PHE 13 -10.271 1.620 -5.274
71 HE2 PHE 13 HE2 PHE 13 -11.213 -0.348 -1.612
72 HZ PHE 13 HZ PHE 13 -11.899 1.057 -3.514
73 H LYS 14 H LYS 14 -4.593 -1.757 -5.677
74 HA LYS 14 HA LYS 14 -2.689 -2.846 -3.739
75 HB2 LYS 14 1HB LYS 14 -3.257 -4.793 -5.000
76 HB3 LYS 14 2HB LYS 14 -3.160 -3.915 -6.521
77 HG2 LYS 14 1HG LYS 14 -0.718 -3.607 -6.095
78 HG3 LYS 14 2HG LYS 14 -0.887 -4.684 -4.707
79 HD2 LYS 14 1HD LYS 14 -1.842 -5.542 -7.412
80 HD3 LYS 14 2HD LYS 14 -0.131 -5.655 -6.996
81 HE2 LYS 14 1HE LYS 14 -0.690 -7.031 -5.057
82 HE3 LYS 14 2HE LYS 14 -2.404 -6.901 -5.451
83 HZ1 LYS 14 3HZ LYS 14 -0.728 -7.873 -7.599
84 HZ2 LYS 14 1HZ LYS 14 -2.231 -8.431 -7.061
85 HZ3 LYS 14 2HZ LYS 14 -0.819 -8.900 -6.258
86 H CYS 15 H CYS 15 -0.904 -1.653 -3.650
87 HA CYS 15 HA CYS 15 -0.533 0.651 -5.195
88 HB2 CYS 15 1HB CYS 15 0.448 0.058 -2.890
89 HB3 CYS 15 2HB CYS 15 1.715 -0.771 -3.787
90 H LYS 16 H LYS 16 0.407 1.032 -7.101
91 HA LYS 16 HA LYS 16 1.495 -1.235 -8.577
92 HB2 LYS 16 1HB LYS 16 0.618 1.533 -9.378
93 HB3 LYS 16 2HB LYS 16 1.479 0.472 -10.486
94 HG2 LYS 16 1HG LYS 16 -0.348 -1.233 -10.032
95 HG3 LYS 16 2HG LYS 16 -1.240 0.090 -9.275
96 HD2 LYS 16 1HD LYS 16 -0.111 0.467 -12.013
97 HD3 LYS 16 2HD LYS 16 -1.589 -0.478 -11.812
98 HE2 LYS 16 1HE LYS 16 -2.499 1.596 -12.087
99 HE3 LYS 16 2HE LYS 16 -2.288 1.601 -10.336
100 HZ1 LYS 16 3HZ LYS 16 -0.144 2.619 -12.079
101 HZ2 LYS 16 1HZ LYS 16 -0.490 3.010 -10.469
102 HZ3 LYS 16 2HZ LYS 16 -1.470 3.603 -11.713
103 H GLU 17 H GLU 17 2.716 0.998 -6.534
104 HA GLU 17 HA GLU 17 5.134 1.588 -8.048
105 HB2 GLU 17 1HB GLU 17 4.104 2.462 -5.357
106 HB3 GLU 17 2HB GLU 17 5.752 2.794 -5.870
107 HG2 GLU 17 1HG GLU 17 4.606 3.809 -7.972
108 HG3 GLU 17 2HG GLU 17 3.186 3.880 -6.929
109 H CYS 18 H CYS 18 4.162 -0.127 -5.100
110 HA CYS 18 HA CYS 18 6.745 -1.545 -5.178
111 HB2 CYS 18 1HB CYS 18 6.543 -1.810 -2.725
112 HB3 CYS 18 2HB CYS 18 6.643 -0.121 -3.211
113 H GLY 19 H GLY 19 3.284 -1.771 -4.536
114 HA2 GLY 19 1HA GLY 19 2.263 -3.813 -5.565
115 HA3 GLY 19 2HA GLY 19 3.523 -4.710 -4.732
116 H LYS 20 H LYS 20 2.605 -2.198 -2.778
117 HA LYS 20 HA LYS 20 1.604 -3.720 -0.723
118 HB2 LYS 20 1HB LYS 20 2.215 -1.131 -0.957
119 HB3 LYS 20 2HB LYS 20 0.465 -0.989 -1.050
120 HG2 LYS 20 1HG LYS 20 0.707 -0.793 1.190
121 HG3 LYS 20 2HG LYS 20 0.611 -2.553 1.091
122 HD2 LYS 20 1HD LYS 20 3.261 -1.174 0.900
123 HD3 LYS 20 2HD LYS 20 2.514 -1.450 2.475
124 HE2 LYS 20 1HE LYS 20 3.794 -3.349 2.235
125 HE3 LYS 20 2HE LYS 20 2.241 -3.892 1.602
126 HZ1 LYS 20 3HZ LYS 20 4.756 -3.635 0.266
127 HZ2 LYS 20 1HZ LYS 20 3.513 -2.846 -0.568
128 HZ3 LYS 20 2HZ LYS 20 3.373 -4.491 -0.198
129 H ALA 21 H ALA 21 -0.611 -3.696 0.220
130 HA ALA 21 HA ALA 21 -2.709 -3.715 -1.842
131 HB1 ALA 21 3HB ALA 21 -1.981 -6.018 -1.464
132 HB2 ALA 21 1HB ALA 21 -2.312 -5.842 0.260
133 HB3 ALA 21 2HB ALA 21 -3.635 -5.767 -0.905
134 H PHE 22 H PHE 22 -4.832 -3.317 -1.094
135 HA PHE 22 HA PHE 22 -5.214 -2.600 1.694
136 HB2 PHE 22 1HB PHE 22 -6.015 -0.516 -0.293
137 HB3 PHE 22 2HB PHE 22 -5.634 -0.343 1.417
138 HD1 PHE 22 HD1 PHE 22 -4.093 -1.026 -1.889
139 HD2 PHE 22 HD2 PHE 22 -3.527 0.372 2.091
140 HE1 PHE 22 HE1 PHE 22 -1.822 -0.283 -2.477
141 HE2 PHE 22 HE2 PHE 22 -1.256 1.118 1.510
142 HZ PHE 22 HZ PHE 22 -0.401 0.792 -0.777
143 H ARG 23 H ARG 23 -7.506 -2.021 2.146
144 HA ARG 23 HA ARG 23 -9.296 -3.474 0.312
145 HB2 ARG 23 1HB ARG 23 -9.103 -3.362 3.280
146 HB3 ARG 23 2HB ARG 23 -10.707 -3.510 2.575
147 HG2 ARG 23 1HG ARG 23 -9.580 -5.447 1.209
148 HG3 ARG 23 2HG ARG 23 -8.439 -5.432 2.556
149 HD2 ARG 23 1HD ARG 23 -9.975 -6.921 3.360
150 HD3 ARG 23 2HD ARG 23 -10.655 -5.419 3.983
151 HE ARG 23 HE ARG 23 -11.697 -6.039 1.412
152 HH11 ARG 23 1HH1 ARG 23 -11.938 -6.874 4.783
153 HH12 ARG 23 2HH1 ARG 23 -13.581 -7.411 4.667
154 HH21 ARG 23 1HH2 ARG 23 -13.860 -6.743 1.246
155 HH22 ARG 23 2HH2 ARG 23 -14.673 -7.337 2.655
156 H GLN 24 H GLN 24 -8.480 -0.440 1.224
157 HA GLN 24 HA GLN 24 -11.151 0.580 0.560
158 HB2 GLN 24 1HB GLN 24 -9.470 1.260 2.935
159 HB3 GLN 24 2HB GLN 24 -10.457 2.521 2.207
160 HG2 GLN 24 1HG GLN 24 -12.444 1.449 2.733
161 HG3 GLN 24 2HG GLN 24 -11.658 -0.115 2.944
162 HE21 GLN 24 1HE2 GLN 24 -10.572 -0.555 4.862
163 HE22 GLN 24 2HE2 GLN 24 -10.810 0.388 6.290
164 H ASN 25 H ASN 25 -11.034 2.973 -0.010
165 HA ASN 25 HA ASN 25 -8.928 3.301 -1.963
166 HB2 ASN 25 1HB ASN 25 -11.419 4.856 -1.293
167 HB3 ASN 25 2HB ASN 25 -10.228 5.469 -2.436
168 HD21 ASN 25 1HD2 ASN 25 -12.868 3.400 -1.955
169 HD22 ASN 25 2HD2 ASN 25 -12.893 2.675 -3.524
170 H ILE 26 H ILE 26 -9.944 4.789 1.061
171 HA ILE 26 HA ILE 26 -8.195 7.001 0.990
172 HB ILE 26 HB ILE 26 -10.058 6.971 2.531
173 HG12 ILE 26 1HG1 ILE 26 -7.668 6.828 4.336
174 HG13 ILE 26 2HG1 ILE 26 -7.740 8.062 3.083
175 HG21 ILE 26 1HG2 ILE 26 -9.427 4.353 2.960
176 HG22 ILE 26 2HG2 ILE 26 -8.889 5.108 4.459
177 HG23 ILE 26 3HG2 ILE 26 -10.560 5.295 3.930
178 HD11 ILE 26 3HD1 ILE 26 -9.674 7.660 5.349
179 HD12 ILE 26 1HD1 ILE 26 -8.538 8.991 5.131
180 HD13 ILE 26 2HD1 ILE 26 -9.906 8.810 4.032
181 H HIS 27 H HIS 27 -7.778 3.674 1.996
182 HA HIS 27 HA HIS 27 -5.375 3.976 3.433
183 HB2 HIS 27 1HB HIS 27 -6.717 1.680 2.052
184 HB3 HIS 27 2HB HIS 27 -5.079 1.488 2.669
185 HD1 HIS 27 HD1 HIS 27 -5.364 0.113 4.716
186 HD2 HIS 27 HD2 HIS 27 -8.127 3.209 4.519
187 HE1 HIS 27 HE1 HIS 27 -6.604 0.048 6.903
188 H LEU 28 H LEU 28 -5.900 2.921 0.066
189 HA LEU 28 HA LEU 28 -3.227 2.747 -0.682
190 HB2 LEU 28 1HB LEU 28 -4.950 1.843 -2.074
191 HB3 LEU 28 2HB LEU 28 -5.673 3.435 -2.298
192 HG LEU 28 HG LEU 28 -3.549 4.089 -3.506
193 HD11 LEU 28 1HD1 LEU 28 -3.113 1.109 -3.580
194 HD12 LEU 28 2HD1 LEU 28 -2.180 2.233 -2.593
195 HD13 LEU 28 3HD1 LEU 28 -2.128 2.352 -4.352
196 HD21 LEU 28 3HD2 LEU 28 -5.719 3.466 -4.590
197 HD22 LEU 28 1HD2 LEU 28 -5.088 1.829 -4.770
198 HD23 LEU 28 2HD2 LEU 28 -4.288 3.175 -5.581
199 H ALA 29 H ALA 29 -5.464 5.484 -1.146
200 HA ALA 29 HA ALA 29 -3.642 7.260 -2.282
201 HB1 ALA 29 3HB ALA 29 -5.915 7.835 -2.409
202 HB2 ALA 29 1HB ALA 29 -6.133 7.703 -0.663
203 HB3 ALA 29 2HB ALA 29 -5.198 9.039 -1.338
204 H SER 30 H SER 30 -4.281 6.485 1.088
205 HA SER 30 HA SER 30 -2.650 8.604 2.127
206 HB2 SER 30 1HB SER 30 -4.585 7.499 3.343
207 HB3 SER 30 2HB SER 30 -3.526 6.111 3.595
208 HG SER 30 HG SER 30 -2.671 8.690 4.322
209 H HIS 31 H HIS 31 -2.034 5.547 0.794
210 HA HIS 31 HA HIS 31 0.478 5.170 2.220
211 HB2 HIS 31 1HB HIS 31 -0.655 3.132 1.872
212 HB3 HIS 31 2HB HIS 31 -1.040 3.533 0.200
213 HD1 HIS 31 HD1 HIS 31 1.967 2.642 2.334
214 HD2 HIS 31 HD2 HIS 31 0.723 2.554 -1.629
215 HE1 HIS 31 HE1 HIS 31 3.775 1.416 1.089
216 H LEU 32 H LEU 32 -0.605 5.573 -1.150
217 HA LEU 32 HA LEU 32 1.744 5.616 -2.500
218 HB2 LEU 32 1HB LEU 32 -0.613 7.461 -2.830
219 HB3 LEU 32 2HB LEU 32 0.710 7.350 -3.990
220 HG LEU 32 HG LEU 32 -1.047 5.018 -3.243
221 HD11 LEU 32 1HD1 LEU 32 -2.404 6.782 -4.248
222 HD12 LEU 32 2HD1 LEU 32 -2.223 5.410 -5.340
223 HD13 LEU 32 3HD1 LEU 32 -1.282 6.877 -5.605
224 HD21 LEU 32 3HD2 LEU 32 0.174 4.993 -5.854
225 HD22 LEU 32 1HD2 LEU 32 0.275 3.805 -4.553
226 HD23 LEU 32 2HD2 LEU 32 1.392 5.170 -4.589
227 H ARG 33 H ARG 33 0.587 8.028 -0.267
228 HA ARG 33 HA ARG 33 2.146 10.215 -0.922
229 HB2 ARG 33 1HB ARG 33 1.789 9.479 1.956
230 HB3 ARG 33 2HB ARG 33 1.657 11.053 1.183
231 HG2 ARG 33 1HG ARG 33 -0.402 9.874 -0.003
232 HG3 ARG 33 2HG ARG 33 -0.355 8.901 1.468
233 HD2 ARG 33 1HD ARG 33 -0.171 11.852 1.743
234 HD3 ARG 33 2HD ARG 33 -1.735 11.162 1.312
235 HE ARG 33 HE ARG 33 -0.962 9.670 3.432
236 HH11 ARG 33 1HH1 ARG 33 -1.226 13.097 2.883
237 HH12 ARG 33 2HH1 ARG 33 -1.584 13.467 4.537
238 HH21 ARG 33 1HH2 ARG 33 -1.431 10.144 5.613
239 HH22 ARG 33 2HH2 ARG 33 -1.699 11.786 6.090
240 H ILE 34 H ILE 34 3.001 7.388 1.031
241 HA ILE 34 HA ILE 34 5.556 8.274 1.819
242 HB ILE 34 HB ILE 34 6.010 6.046 2.494
243 HG12 ILE 34 1HG1 ILE 34 4.096 4.316 1.704
244 HG13 ILE 34 2HG1 ILE 34 4.145 5.365 0.291
245 HG21 ILE 34 1HG2 ILE 34 4.511 6.685 4.061
246 HG22 ILE 34 2HG2 ILE 34 3.266 7.064 2.872
247 HG23 ILE 34 3HG2 ILE 34 3.553 5.389 3.345
248 HD11 ILE 34 3HD1 ILE 34 5.628 3.609 -0.160
249 HD12 ILE 34 1HD1 ILE 34 6.646 4.982 0.273
250 HD13 ILE 34 2HD1 ILE 34 6.352 3.697 1.446
251 H HIS 35 H HIS 35 4.393 7.387 -1.215
252 HA HIS 35 HA HIS 35 7.042 6.589 -2.189
253 HB2 HIS 35 1HB HIS 35 4.279 6.388 -3.380
254 HB3 HIS 35 2HB HIS 35 5.733 6.113 -4.334
255 HD1 HIS 35 HD1 HIS 35 7.379 4.185 -3.168
256 HD2 HIS 35 HD2 HIS 35 3.325 4.126 -2.259
257 HE1 HIS 35 HE1 HIS 35 6.918 1.870 -2.301
258 H THR 36 H THR 36 4.698 9.147 -2.318
259 HA THR 36 HA THR 36 6.029 10.493 -4.522
260 HB THR 36 HB THR 36 4.300 12.349 -3.774
261 HG1 THR 36 HG1 THR 36 2.826 10.104 -2.947
262 HG21 THR 36 3HG2 THR 36 4.290 11.058 -5.896
263 HG22 THR 36 1HG2 THR 36 2.672 11.393 -5.281
264 HG23 THR 36 2HG2 THR 36 3.376 9.789 -5.081
265 H GLY 37 H GLY 37 7.914 11.445 -4.054
266 HA2 GLY 37 1HA GLY 37 8.125 13.725 -2.493
267 HA3 GLY 37 2HA GLY 37 8.616 12.387 -1.465
268 H GLU 38 H GLU 38 9.911 10.775 -3.329
269 HA GLU 38 HA GLU 38 12.486 11.479 -3.267
270 HB2 GLU 38 1HB GLU 38 11.242 9.453 -4.436
271 HB3 GLU 38 2HB GLU 38 11.560 10.393 -5.888
272 HG2 GLU 38 1HG GLU 38 13.813 10.084 -5.768
273 HG3 GLU 38 2HG GLU 38 13.810 9.919 -4.013
274 H LYS 39 H LYS 39 14.006 12.517 -4.633
275 HA LYS 39 HA LYS 39 13.610 15.067 -5.342
276 HB2 LYS 39 1HB LYS 39 15.430 14.799 -7.054
277 HB3 LYS 39 2HB LYS 39 15.812 14.148 -5.465
278 HG2 LYS 39 1HG LYS 39 16.545 12.431 -6.751
279 HG3 LYS 39 2HG LYS 39 14.865 11.928 -6.548
280 HD2 LYS 39 1HD LYS 39 14.297 12.488 -8.706
281 HD3 LYS 39 2HD LYS 39 15.577 13.696 -8.843
282 HE2 LYS 39 1HE LYS 39 16.078 10.729 -8.694
283 HE3 LYS 39 2HE LYS 39 15.924 11.620 -10.207
284 HZ1 LYS 39 3HZ LYS 39 17.956 12.132 -8.102
285 HZ2 LYS 39 1HZ LYS 39 17.810 12.980 -9.559
286 HZ3 LYS 39 2HZ LYS 39 18.237 11.344 -9.573
287 HA PRO 40 HA PRO 40 10.770 15.265 -8.701
288 HB2 PRO 40 1HB PRO 40 11.443 17.703 -9.687
289 HB3 PRO 40 2HB PRO 40 10.543 17.492 -8.180
290 HG2 PRO 40 1HG PRO 40 13.462 18.018 -8.585
291 HG3 PRO 40 2HG PRO 40 12.350 18.732 -7.403
292 HD2 PRO 40 1HD PRO 40 14.070 16.739 -6.768
293 HD3 PRO 40 2HD PRO 40 12.482 16.912 -5.994
294 H SER 41 H SER 41 10.672 14.923 -10.898
295 HA SER 41 HA SER 41 13.256 14.748 -12.306
296 HB2 SER 41 1HB SER 41 12.262 12.525 -11.796
297 HB3 SER 41 2HB SER 41 10.834 12.979 -12.726
298 HG SER 41 HG SER 41 12.641 13.440 -14.405
299 H GLY 42 H GLY 42 9.749 15.136 -12.783
300 HA2 GLY 42 1HA GLY 42 10.174 17.305 -14.620
301 HA3 GLY 42 2HA GLY 42 9.630 15.837 -15.418
302 HA PRO 43 HA PRO 43 6.166 18.235 -13.017
303 HB2 PRO 43 1HB PRO 43 5.621 20.351 -14.628
304 HB3 PRO 43 2HB PRO 43 6.752 20.442 -13.273
305 HG2 PRO 43 1HG PRO 43 7.317 20.089 -16.191
306 HG3 PRO 43 2HG PRO 43 8.144 21.120 -15.008
307 HD2 PRO 43 1HD PRO 43 9.134 18.728 -15.800
308 HD3 PRO 43 2HD PRO 43 9.385 19.371 -14.164
309 H SER 44 H SER 44 6.507 18.397 -16.568
310 HA SER 44 HA SER 44 3.755 17.513 -16.894
311 HB2 SER 44 1HB SER 44 4.124 17.929 -19.286
312 HB3 SER 44 2HB SER 44 4.611 19.325 -18.326
313 HG SER 44 HG SER 44 6.646 18.995 -18.849
314 H SER 45 H SER 45 3.609 15.381 -16.395
315 HA SER 45 HA SER 45 5.576 13.470 -17.259
316 HB2 SER 45 1HB SER 45 3.960 13.428 -15.168
317 HB3 SER 45 2HB SER 45 2.865 12.640 -16.304
318 HG SER 45 HG SER 45 4.311 11.230 -15.061
319 H GLY 46 H GLY 46 2.104 13.902 -17.981
320 HA2 GLY 46 1HA GLY 46 2.494 13.427 -20.772
321 HA3 GLY 46 2HA GLY 46 1.829 12.014 -19.966
Start of MODEL 19
1 H1 GLY 1 H GLY 1 5.264 -21.887 -16.265
2 HA2 GLY 1 1HA GLY 1 4.066 -23.892 -16.263
3 HA3 GLY 1 2HA GLY 1 4.197 -23.596 -14.535
4 H SER 2 H SER 2 2.392 -23.190 -13.374
5 HA SER 2 HA SER 2 -0.117 -22.778 -14.857
6 HB2 SER 2 1HB SER 2 -0.100 -25.104 -14.228
7 HB3 SER 2 2HB SER 2 0.376 -24.705 -12.577
8 HG SER 2 HG SER 2 -1.974 -25.135 -13.138
9 H SER 3 H SER 3 -0.770 -20.799 -14.330
10 HA SER 3 HA SER 3 -0.068 -19.499 -11.899
11 HB2 SER 3 1HB SER 3 -0.671 -18.463 -14.206
12 HB3 SER 3 2HB SER 3 -2.340 -18.607 -13.655
13 HG SER 3 HG SER 3 -1.945 -17.192 -12.042
14 H GLY 4 H GLY 4 -0.807 -20.526 -10.095
15 HA2 GLY 4 1HA GLY 4 -3.738 -20.831 -9.871
16 HA3 GLY 4 2HA GLY 4 -2.593 -21.908 -9.085
17 H SER 5 H SER 5 -4.765 -20.154 -8.019
18 HA SER 5 HA SER 5 -3.765 -17.921 -6.697
19 HB2 SER 5 1HB SER 5 -6.191 -18.700 -6.870
20 HB3 SER 5 2HB SER 5 -5.838 -19.770 -5.513
21 HG SER 5 HG SER 5 -6.101 -17.007 -5.583
22 H SER 6 H SER 6 -1.896 -17.994 -5.600
23 HA SER 6 HA SER 6 -1.647 -20.015 -3.468
24 HB2 SER 6 1HB SER 6 0.410 -18.926 -5.369
25 HB3 SER 6 2HB SER 6 0.896 -19.557 -3.796
26 HG SER 6 HG SER 6 -0.805 -21.099 -5.397
27 H GLY 7 H GLY 7 -1.233 -19.304 -1.450
28 HA2 GLY 7 1HA GLY 7 -0.348 -17.810 0.161
29 HA3 GLY 7 2HA GLY 7 -0.309 -16.551 -1.065
30 H SER 8 H SER 8 -1.512 -14.954 -0.234
31 HA SER 8 HA SER 8 -4.337 -15.266 -0.068
32 HB2 SER 8 1HB SER 8 -4.020 -16.189 2.090
33 HB3 SER 8 2HB SER 8 -2.761 -15.021 2.492
34 HG SER 8 HG SER 8 -4.643 -14.382 3.498
35 H GLY 9 H GLY 9 -5.181 -13.405 -0.731
36 HA2 GLY 9 1HA GLY 9 -4.464 -10.866 0.258
37 HA3 GLY 9 2HA GLY 9 -3.646 -11.128 -1.276
38 H GLU 10 H GLU 10 -6.887 -11.411 0.177
39 HA GLU 10 HA GLU 10 -8.159 -11.039 -2.385
40 HB2 GLU 10 1HB GLU 10 -10.259 -11.178 -1.121
41 HB3 GLU 10 2HB GLU 10 -9.181 -12.511 -0.731
42 HG2 GLU 10 1HG GLU 10 -8.730 -11.704 1.385
43 HG3 GLU 10 2HG GLU 10 -9.202 -10.058 0.969
44 H LYS 11 H LYS 11 -6.530 -8.895 -1.926
45 HA LYS 11 HA LYS 11 -8.365 -6.725 -1.160
46 HB2 LYS 11 1HB LYS 11 -5.358 -6.904 -1.187
47 HB3 LYS 11 2HB LYS 11 -6.196 -5.361 -1.092
48 HG2 LYS 11 1HG LYS 11 -7.260 -6.032 0.977
49 HG3 LYS 11 2HG LYS 11 -6.508 -7.625 0.869
50 HD2 LYS 11 1HD LYS 11 -4.303 -6.159 0.718
51 HD3 LYS 11 2HD LYS 11 -5.314 -4.997 1.580
52 HE2 LYS 11 1HE LYS 11 -4.802 -7.845 2.436
53 HE3 LYS 11 2HE LYS 11 -4.002 -6.422 3.102
54 HZ1 LYS 11 3HZ LYS 11 -6.757 -5.991 3.223
55 HZ2 LYS 11 1HZ LYS 11 -5.677 -6.199 4.508
56 HZ3 LYS 11 2HZ LYS 11 -6.465 -7.538 3.841
57 HA PRO 12 HA PRO 12 -8.583 -5.802 -5.504
58 HB2 PRO 12 1HB PRO 12 -10.058 -3.537 -5.248
59 HB3 PRO 12 2HB PRO 12 -10.750 -5.156 -5.095
60 HG2 PRO 12 1HG PRO 12 -9.914 -3.243 -2.949
61 HG3 PRO 12 2HG PRO 12 -11.366 -4.257 -3.041
62 HD2 PRO 12 1HD PRO 12 -9.211 -4.932 -1.548
63 HD3 PRO 12 2HD PRO 12 -10.249 -6.142 -2.329
64 H PHE 13 H PHE 13 -8.045 -3.086 -3.247
65 HA PHE 13 HA PHE 13 -6.655 -1.502 -5.148
66 HB2 PHE 13 1HB PHE 13 -6.630 -1.323 -2.128
67 HB3 PHE 13 2HB PHE 13 -6.083 -0.070 -3.237
68 HD1 PHE 13 HD2 PHE 13 -8.993 -1.802 -1.851
69 HD2 PHE 13 HD1 PHE 13 -7.653 1.293 -4.447
70 HE1 PHE 13 HE2 PHE 13 -11.272 -0.876 -1.917
71 HE2 PHE 13 HE1 PHE 13 -9.929 2.224 -4.517
72 HZ PHE 13 HZ PHE 13 -11.742 1.139 -3.252
73 H LYS 14 H LYS 14 -4.563 -1.437 -5.697
74 HA LYS 14 HA LYS 14 -2.584 -2.768 -4.001
75 HB2 LYS 14 1HB LYS 14 -2.964 -4.542 -5.463
76 HB3 LYS 14 2HB LYS 14 -3.257 -3.480 -6.834
77 HG2 LYS 14 1HG LYS 14 -1.045 -3.251 -7.311
78 HG3 LYS 14 2HG LYS 14 -0.547 -3.459 -5.630
79 HD2 LYS 14 1HD LYS 14 -0.593 -5.756 -5.761
80 HD3 LYS 14 2HD LYS 14 -1.775 -5.764 -7.071
81 HE2 LYS 14 1HE LYS 14 -0.096 -5.030 -8.643
82 HE3 LYS 14 2HE LYS 14 1.089 -4.860 -7.349
83 HZ1 LYS 14 3HZ LYS 14 -0.161 -7.476 -7.661
84 HZ2 LYS 14 1HZ LYS 14 1.430 -7.078 -7.243
85 HZ3 LYS 14 2HZ LYS 14 0.938 -7.011 -8.860
86 H CYS 15 H CYS 15 -0.613 -1.803 -3.992
87 HA CYS 15 HA CYS 15 -0.410 0.785 -5.244
88 HB2 CYS 15 1HB CYS 15 0.389 0.330 -2.923
89 HB3 CYS 15 2HB CYS 15 1.653 -0.693 -3.598
90 H LYS 16 H LYS 16 -0.062 0.705 -7.394
91 HA LYS 16 HA LYS 16 1.384 -1.227 -8.791
92 HB2 LYS 16 1HB LYS 16 1.470 0.430 -10.628
93 HB3 LYS 16 2HB LYS 16 -0.136 0.280 -9.926
94 HG2 LYS 16 1HG LYS 16 0.105 2.336 -8.746
95 HG3 LYS 16 2HG LYS 16 1.813 2.446 -9.178
96 HD2 LYS 16 1HD LYS 16 0.940 3.846 -10.755
97 HD3 LYS 16 2HD LYS 16 0.820 2.319 -11.632
98 HE2 LYS 16 1HE LYS 16 -1.265 3.429 -11.881
99 HE3 LYS 16 2HE LYS 16 -1.519 2.110 -10.740
100 HZ1 LYS 16 3HZ LYS 16 -1.665 3.568 -8.963
101 HZ2 LYS 16 1HZ LYS 16 -2.478 4.403 -10.189
102 HZ3 LYS 16 2HZ LYS 16 -0.892 4.829 -9.784
103 H GLU 17 H GLU 17 2.516 1.141 -6.683
104 HA GLU 17 HA GLU 17 5.065 1.591 -7.940
105 HB2 GLU 17 1HB GLU 17 4.406 2.128 -5.051
106 HB3 GLU 17 2HB GLU 17 5.592 2.938 -6.066
107 HG2 GLU 17 1HG GLU 17 3.481 3.599 -7.468
108 HG3 GLU 17 2HG GLU 17 2.641 3.284 -5.951
109 H CYS 18 H CYS 18 4.239 0.151 -4.780
110 HA CYS 18 HA CYS 18 6.630 -1.538 -5.012
111 HB2 CYS 18 1HB CYS 18 6.324 -1.888 -2.554
112 HB3 CYS 18 2HB CYS 18 6.613 -0.210 -3.004
113 H GLY 19 H GLY 19 3.170 -1.665 -4.255
114 HA2 GLY 19 1HA GLY 19 2.064 -3.626 -5.402
115 HA3 GLY 19 2HA GLY 19 3.289 -4.596 -4.598
116 H LYS 20 H LYS 20 2.579 -2.192 -2.496
117 HA LYS 20 HA LYS 20 1.322 -3.842 -0.627
118 HB2 LYS 20 1HB LYS 20 2.532 -1.492 -0.422
119 HB3 LYS 20 2HB LYS 20 0.881 -0.892 -0.514
120 HG2 LYS 20 1HG LYS 20 1.150 -1.088 1.748
121 HG3 LYS 20 2HG LYS 20 0.448 -2.661 1.361
122 HD2 LYS 20 1HD LYS 20 2.533 -3.744 1.517
123 HD3 LYS 20 2HD LYS 20 3.421 -2.220 1.459
124 HE2 LYS 20 1HE LYS 20 1.503 -2.770 3.689
125 HE3 LYS 20 2HE LYS 20 3.128 -3.452 3.728
126 HZ1 LYS 20 3HZ LYS 20 2.641 -1.138 4.782
127 HZ2 LYS 20 1HZ LYS 20 2.806 -0.584 3.192
128 HZ3 LYS 20 2HZ LYS 20 4.084 -1.400 3.939
129 H ALA 21 H ALA 21 -0.713 -4.487 -0.366
130 HA ALA 21 HA ALA 21 -2.774 -3.356 -2.104
131 HB1 ALA 21 3HB ALA 21 -4.081 -5.376 -1.106
132 HB2 ALA 21 1HB ALA 21 -2.834 -5.649 -2.323
133 HB3 ALA 21 2HB ALA 21 -2.479 -5.930 -0.618
134 H PHE 22 H PHE 22 -4.999 -3.157 -1.158
135 HA PHE 22 HA PHE 22 -5.109 -2.541 1.676
136 HB2 PHE 22 1HB PHE 22 -6.020 -0.386 -0.200
137 HB3 PHE 22 2HB PHE 22 -5.606 -0.269 1.507
138 HD1 PHE 22 HD1 PHE 22 -4.166 -0.752 -1.869
139 HD2 PHE 22 HD2 PHE 22 -3.450 0.335 2.183
140 HE1 PHE 22 HE1 PHE 22 -1.906 0.011 -2.476
141 HE2 PHE 22 HE2 PHE 22 -1.190 1.100 1.583
142 HZ PHE 22 HZ PHE 22 -0.416 0.939 -0.749
143 H ARG 23 H ARG 23 -7.370 -1.854 2.309
144 HA ARG 23 HA ARG 23 -9.269 -3.521 0.835
145 HB2 ARG 23 1HB ARG 23 -9.349 -2.341 3.615
146 HB3 ARG 23 2HB ARG 23 -10.683 -3.234 2.896
147 HG2 ARG 23 1HG ARG 23 -9.061 -5.152 2.594
148 HG3 ARG 23 2HG ARG 23 -7.956 -4.249 3.633
149 HD2 ARG 23 1HD ARG 23 -10.776 -4.907 4.444
150 HD3 ARG 23 2HD ARG 23 -9.421 -5.989 4.761
151 HE ARG 23 HE ARG 23 -10.032 -3.529 6.120
152 HH11 ARG 23 1HH1 ARG 23 -7.538 -5.819 5.311
153 HH12 ARG 23 2HH1 ARG 23 -6.529 -5.393 6.653
154 HH21 ARG 23 1HH2 ARG 23 -8.713 -2.958 7.891
155 HH22 ARG 23 2HH2 ARG 23 -7.199 -3.766 8.121
156 H GLN 24 H GLN 24 -8.863 -0.235 2.065
157 HA GLN 24 HA GLN 24 -11.165 0.587 0.418
158 HB2 GLN 24 1HB GLN 24 -10.113 1.903 2.929
159 HB3 GLN 24 2HB GLN 24 -11.476 2.463 1.970
160 HG2 GLN 24 1HG GLN 24 -11.377 -0.228 3.305
161 HG3 GLN 24 2HG GLN 24 -12.070 1.212 4.049
162 HE21 GLN 24 1HE2 GLN 24 -12.704 -1.472 2.200
163 HE22 GLN 24 2HE2 GLN 24 -14.237 -1.004 1.556
164 H ASN 25 H ASN 25 -11.028 2.725 -0.543
165 HA ASN 25 HA ASN 25 -8.617 3.142 -1.917
166 HB2 ASN 25 1HB ASN 25 -10.925 3.855 -2.659
167 HB3 ASN 25 2HB ASN 25 -10.798 5.197 -1.525
168 HD21 ASN 25 1HD2 ASN 25 -10.168 4.133 -4.637
169 HD22 ASN 25 2HD2 ASN 25 -9.149 5.430 -5.151
170 H ILE 26 H ILE 26 -10.047 4.850 0.843
171 HA ILE 26 HA ILE 26 -8.317 6.946 1.150
172 HB ILE 26 HB ILE 26 -10.228 6.644 2.617
173 HG12 ILE 26 1HG1 ILE 26 -7.862 6.547 4.459
174 HG13 ILE 26 2HG1 ILE 26 -8.030 7.875 3.316
175 HG21 ILE 26 1HG2 ILE 26 -10.100 4.213 2.859
176 HG22 ILE 26 2HG2 ILE 26 -8.665 4.389 3.867
177 HG23 ILE 26 3HG2 ILE 26 -10.217 5.011 4.427
178 HD11 ILE 26 3HD1 ILE 26 -8.910 8.298 5.622
179 HD12 ILE 26 1HD1 ILE 26 -10.052 8.588 4.310
180 HD13 ILE 26 2HD1 ILE 26 -10.174 7.117 5.276
181 H HIS 27 H HIS 27 -7.780 3.573 2.010
182 HA HIS 27 HA HIS 27 -5.370 3.952 3.435
183 HB2 HIS 27 1HB HIS 27 -6.714 1.621 2.131
184 HB3 HIS 27 2HB HIS 27 -5.036 1.458 2.642
185 HD1 HIS 27 HD1 HIS 27 -4.639 0.957 5.057
186 HD2 HIS 27 HD2 HIS 27 -8.517 2.258 4.328
187 HE1 HIS 27 HE1 HIS 27 -5.869 0.655 7.230
188 H LEU 28 H LEU 28 -5.916 2.830 0.092
189 HA LEU 28 HA LEU 28 -3.275 2.689 -0.718
190 HB2 LEU 28 1HB LEU 28 -4.990 1.809 -2.109
191 HB3 LEU 28 2HB LEU 28 -5.767 3.384 -2.253
192 HG LEU 28 HG LEU 28 -3.779 4.166 -3.544
193 HD11 LEU 28 1HD1 LEU 28 -2.115 2.706 -4.279
194 HD12 LEU 28 2HD1 LEU 28 -3.034 1.275 -3.812
195 HD13 LEU 28 3HD1 LEU 28 -2.314 2.303 -2.573
196 HD21 LEU 28 3HD2 LEU 28 -4.332 2.500 -5.523
197 HD22 LEU 28 1HD2 LEU 28 -5.496 3.705 -4.971
198 HD23 LEU 28 2HD2 LEU 28 -5.640 2.030 -4.437
199 H ALA 29 H ALA 29 -5.500 5.434 -1.216
200 HA ALA 29 HA ALA 29 -3.653 7.207 -2.303
201 HB1 ALA 29 3HB ALA 29 -6.025 7.899 -0.574
202 HB2 ALA 29 1HB ALA 29 -5.203 8.972 -1.707
203 HB3 ALA 29 2HB ALA 29 -6.086 7.567 -2.305
204 H SER 30 H SER 30 -4.325 6.400 1.047
205 HA SER 30 HA SER 30 -2.728 8.527 2.127
206 HB2 SER 30 1HB SER 30 -4.653 7.453 3.336
207 HB3 SER 30 2HB SER 30 -3.657 6.010 3.525
208 HG SER 30 HG SER 30 -3.158 8.603 4.558
209 H HIS 31 H HIS 31 -2.055 5.519 0.739
210 HA HIS 31 HA HIS 31 0.450 5.162 2.196
211 HB2 HIS 31 1HB HIS 31 -0.703 3.117 1.863
212 HB3 HIS 31 2HB HIS 31 -1.019 3.482 0.170
213 HD1 HIS 31 HD1 HIS 31 1.703 2.311 2.473
214 HD2 HIS 31 HD2 HIS 31 1.017 2.808 -1.594
215 HE1 HIS 31 HE1 HIS 31 3.614 1.151 1.322
216 H LEU 32 H LEU 32 -0.625 5.454 -1.190
217 HA LEU 32 HA LEU 32 1.688 5.512 -2.562
218 HB2 LEU 32 1HB LEU 32 -0.604 7.445 -2.867
219 HB3 LEU 32 2HB LEU 32 0.670 7.212 -4.062
220 HG LEU 32 HG LEU 32 -1.145 4.981 -3.176
221 HD11 LEU 32 1HD1 LEU 32 -2.468 6.862 -4.099
222 HD12 LEU 32 2HD1 LEU 32 -2.527 5.408 -5.094
223 HD13 LEU 32 3HD1 LEU 32 -1.510 6.766 -5.577
224 HD21 LEU 32 3HD2 LEU 32 1.124 4.660 -4.397
225 HD22 LEU 32 1HD2 LEU 32 0.244 5.242 -5.811
226 HD23 LEU 32 2HD2 LEU 32 -0.300 3.791 -4.969
227 H ARG 33 H ARG 33 0.682 7.846 -0.214
228 HA ARG 33 HA ARG 33 2.227 10.051 -0.906
229 HB2 ARG 33 1HB ARG 33 1.919 9.244 1.964
230 HB3 ARG 33 2HB ARG 33 1.844 10.848 1.247
231 HG2 ARG 33 1HG ARG 33 -0.284 9.791 0.058
232 HG3 ARG 33 2HG ARG 33 -0.258 8.782 1.506
233 HD2 ARG 33 1HD ARG 33 0.057 11.719 1.835
234 HD3 ARG 33 2HD ARG 33 -1.542 11.098 1.431
235 HE ARG 33 HE ARG 33 -0.733 9.542 3.512
236 HH11 ARG 33 1HH1 ARG 33 -1.041 12.972 3.002
237 HH12 ARG 33 2HH1 ARG 33 -1.383 13.320 4.664
238 HH21 ARG 33 1HH2 ARG 33 -1.182 9.988 5.703
239 HH22 ARG 33 2HH2 ARG 33 -1.462 11.622 6.200
240 H ILE 34 H ILE 34 3.092 7.240 1.085
241 HA ILE 34 HA ILE 34 5.654 8.026 1.829
242 HB ILE 34 HB ILE 34 6.140 5.722 2.269
243 HG12 ILE 34 1HG1 ILE 34 3.648 4.717 0.992
244 HG13 ILE 34 2HG1 ILE 34 4.991 5.120 -0.073
245 HG21 ILE 34 1HG2 ILE 34 4.102 5.041 3.527
246 HG22 ILE 34 2HG2 ILE 34 4.604 6.706 3.819
247 HG23 ILE 34 3HG2 ILE 34 3.239 6.371 2.754
248 HD11 ILE 34 3HD1 ILE 34 5.451 2.935 0.311
249 HD12 ILE 34 1HD1 ILE 34 6.331 3.649 1.663
250 HD13 ILE 34 2HD1 ILE 34 4.733 2.949 1.921
251 H HIS 35 H HIS 35 4.482 7.355 -1.259
252 HA HIS 35 HA HIS 35 7.184 6.799 -2.285
253 HB2 HIS 35 1HB HIS 35 4.489 6.337 -3.581
254 HB3 HIS 35 2HB HIS 35 6.044 6.010 -4.341
255 HD1 HIS 35 HD1 HIS 35 7.586 4.300 -2.685
256 HD2 HIS 35 HD2 HIS 35 3.440 4.103 -2.507
257 HE1 HIS 35 HE1 HIS 35 7.061 2.047 -1.697
258 H THR 36 H THR 36 4.395 8.910 -2.559
259 HA THR 36 HA THR 36 5.041 10.373 -4.815
260 HB THR 36 HB THR 36 3.767 12.236 -3.835
261 HG1 THR 36 HG1 THR 36 4.363 10.864 -1.499
262 HG21 THR 36 3HG2 THR 36 1.760 11.184 -4.030
263 HG22 THR 36 1HG2 THR 36 2.211 9.883 -2.929
264 HG23 THR 36 2HG2 THR 36 2.784 9.865 -4.597
265 H GLY 37 H GLY 37 5.999 12.498 -5.046
266 HA2 GLY 37 1HA GLY 37 7.975 13.184 -2.978
267 HA3 GLY 37 2HA GLY 37 8.516 12.929 -4.630
268 H GLU 38 H GLU 38 8.802 14.731 -5.744
269 HA GLU 38 HA GLU 38 7.623 17.210 -4.827
270 HB2 GLU 38 1HB GLU 38 10.035 16.805 -5.749
271 HB3 GLU 38 2HB GLU 38 9.266 16.958 -7.322
272 HG2 GLU 38 1HG GLU 38 8.733 19.061 -5.298
273 HG3 GLU 38 2HG GLU 38 10.317 19.027 -6.072
274 H LYS 39 H LYS 39 6.587 18.707 -6.362
275 HA LYS 39 HA LYS 39 5.342 17.567 -8.709
276 HB2 LYS 39 1HB LYS 39 3.040 18.029 -7.947
277 HB3 LYS 39 2HB LYS 39 3.821 16.778 -6.989
278 HG2 LYS 39 1HG LYS 39 2.892 17.993 -5.316
279 HG3 LYS 39 2HG LYS 39 4.433 18.843 -5.454
280 HD2 LYS 39 1HD LYS 39 2.687 20.479 -5.356
281 HD3 LYS 39 2HD LYS 39 3.320 20.455 -7.003
282 HE2 LYS 39 1HE LYS 39 1.437 19.367 -7.839
283 HE3 LYS 39 2HE LYS 39 0.943 18.796 -6.246
284 HZ1 LYS 39 3HZ LYS 39 0.319 21.014 -5.638
285 HZ2 LYS 39 1HZ LYS 39 -0.442 20.625 -7.098
286 HZ3 LYS 39 2HZ LYS 39 0.910 21.641 -7.094
287 HA PRO 40 HA PRO 40 5.509 21.735 -10.082
288 HB2 PRO 40 1HB PRO 40 3.459 21.777 -11.860
289 HB3 PRO 40 2HB PRO 40 4.984 20.939 -12.172
290 HG2 PRO 40 1HG PRO 40 2.368 19.826 -11.233
291 HG3 PRO 40 2HG PRO 40 3.490 19.178 -12.444
292 HD2 PRO 40 1HD PRO 40 3.381 18.237 -9.907
293 HD3 PRO 40 2HD PRO 40 4.885 18.272 -10.848
294 H SER 41 H SER 41 4.937 23.452 -8.918
295 HA SER 41 HA SER 41 2.088 23.903 -8.365
296 HB2 SER 41 1HB SER 41 3.165 22.971 -6.328
297 HB3 SER 41 2HB SER 41 4.302 24.319 -6.341
298 HG SER 41 HG SER 41 2.816 25.565 -5.525
299 H GLY 42 H GLY 42 1.542 25.740 -9.325
300 HA2 GLY 42 1HA GLY 42 3.429 27.677 -10.190
301 HA3 GLY 42 2HA GLY 42 1.681 27.852 -10.223
302 HA PRO 43 HA PRO 43 2.071 30.929 -7.112
303 HB2 PRO 43 1HB PRO 43 -0.458 30.874 -6.125
304 HB3 PRO 43 2HB PRO 43 -0.055 31.578 -7.695
305 HG2 PRO 43 1HG PRO 43 -1.192 28.882 -7.062
306 HG3 PRO 43 2HG PRO 43 -1.649 30.015 -8.347
307 HD2 PRO 43 1HD PRO 43 -0.066 27.865 -8.797
308 HD3 PRO 43 2HD PRO 43 0.105 29.382 -9.702
309 H SER 44 H SER 44 3.481 30.052 -5.603
310 HA SER 44 HA SER 44 3.031 27.920 -3.895
311 HB2 SER 44 1HB SER 44 5.201 29.196 -4.258
312 HB3 SER 44 2HB SER 44 4.588 30.387 -3.111
313 HG SER 44 HG SER 44 4.881 27.618 -2.560
314 H SER 45 H SER 45 2.416 27.791 -1.691
315 HA SER 45 HA SER 45 0.697 28.067 -0.173
316 HB2 SER 45 1HB SER 45 1.127 29.944 1.298
317 HB3 SER 45 2HB SER 45 2.670 29.298 0.738
318 HG SER 45 HG SER 45 2.316 31.683 0.669
319 H GLY 46 H GLY 46 -0.314 28.538 -2.717
320 HA2 GLY 46 1HA GLY 46 -2.234 30.710 -2.156
321 HA3 GLY 46 2HA GLY 46 -1.551 30.486 -3.759
Start of MODEL 20
1 H1 GLY 1 H GLY 1 1.777 -29.601 -0.408
2 HA2 GLY 1 1HA GLY 1 3.080 -28.577 -2.233
3 HA3 GLY 1 2HA GLY 1 1.755 -27.523 -1.762
4 H SER 2 H SER 2 3.732 -26.295 -2.995
5 HA SER 2 HA SER 2 5.487 -25.174 -0.922
6 HB2 SER 2 1HB SER 2 6.954 -24.467 -2.660
7 HB3 SER 2 2HB SER 2 6.469 -26.111 -3.076
8 HG SER 2 HG SER 2 5.734 -23.678 -4.261
9 H SER 3 H SER 3 6.091 -22.745 -1.750
10 HA SER 3 HA SER 3 5.351 -20.594 -1.499
11 HB2 SER 3 1HB SER 3 3.539 -21.619 -3.693
12 HB3 SER 3 2HB SER 3 3.677 -19.916 -3.255
13 HG SER 3 HG SER 3 6.098 -20.522 -3.567
14 H GLY 4 H GLY 4 4.363 -22.081 0.538
15 HA2 GLY 4 1HA GLY 4 1.495 -21.815 0.730
16 HA3 GLY 4 2HA GLY 4 2.580 -22.375 1.993
17 H SER 5 H SER 5 1.899 -19.371 0.195
18 HA SER 5 HA SER 5 2.441 -17.849 2.636
19 HB2 SER 5 1HB SER 5 2.445 -15.873 1.158
20 HB3 SER 5 2HB SER 5 3.578 -17.102 0.596
21 HG SER 5 HG SER 5 1.604 -15.996 -0.753
22 H SER 6 H SER 6 0.722 -17.670 3.923
23 HA SER 6 HA SER 6 -1.916 -18.027 3.406
24 HB2 SER 6 1HB SER 6 -0.496 -16.264 5.371
25 HB3 SER 6 2HB SER 6 -2.255 -16.204 5.268
26 HG SER 6 HG SER 6 -0.918 -18.672 5.491
27 H GLY 7 H GLY 7 -3.677 -16.782 2.778
28 HA2 GLY 7 1HA GLY 7 -3.102 -14.104 1.707
29 HA3 GLY 7 2HA GLY 7 -3.833 -15.308 0.657
30 H SER 8 H SER 8 -4.319 -13.843 3.869
31 HA SER 8 HA SER 8 -7.206 -14.180 3.549
32 HB2 SER 8 1HB SER 8 -6.181 -14.882 5.683
33 HB3 SER 8 2HB SER 8 -5.618 -13.232 5.948
34 HG SER 8 HG SER 8 -7.910 -12.640 5.798
35 H GLY 9 H GLY 9 -7.340 -12.549 1.868
36 HA2 GLY 9 1HA GLY 9 -8.404 -10.156 2.624
37 HA3 GLY 9 2HA GLY 9 -6.685 -9.816 2.488
38 H GLU 10 H GLU 10 -9.416 -9.397 0.892
39 HA GLU 10 HA GLU 10 -8.398 -10.142 -1.752
40 HB2 GLU 10 1HB GLU 10 -11.084 -9.510 -0.638
41 HB3 GLU 10 2HB GLU 10 -10.794 -9.113 -2.325
42 HG2 GLU 10 1HG GLU 10 -10.254 -11.838 -1.190
43 HG3 GLU 10 2HG GLU 10 -11.821 -11.370 -1.846
44 H LYS 11 H LYS 11 -7.356 -7.905 -0.081
45 HA LYS 11 HA LYS 11 -8.012 -5.387 -0.604
46 HB2 LYS 11 1HB LYS 11 -5.271 -6.609 -0.932
47 HB3 LYS 11 2HB LYS 11 -5.554 -4.873 -0.944
48 HG2 LYS 11 1HG LYS 11 -5.988 -4.785 1.289
49 HG3 LYS 11 2HG LYS 11 -6.614 -6.434 1.346
50 HD2 LYS 11 1HD LYS 11 -4.187 -7.142 0.851
51 HD3 LYS 11 2HD LYS 11 -3.763 -5.497 1.333
52 HE2 LYS 11 1HE LYS 11 -5.384 -7.380 3.038
53 HE3 LYS 11 2HE LYS 11 -3.633 -7.212 3.161
54 HZ1 LYS 11 3HZ LYS 11 -5.304 -5.800 4.630
55 HZ2 LYS 11 1HZ LYS 11 -5.203 -4.761 3.299
56 HZ3 LYS 11 2HZ LYS 11 -3.802 -5.198 4.140
57 HA PRO 12 HA PRO 12 -8.518 -5.659 -5.115
58 HB2 PRO 12 1HB PRO 12 -10.235 -3.561 -5.253
59 HB3 PRO 12 2HB PRO 12 -10.750 -5.196 -4.824
60 HG2 PRO 12 1HG PRO 12 -10.168 -2.865 -3.039
61 HG3 PRO 12 2HG PRO 12 -11.500 -4.032 -2.955
62 HD2 PRO 12 1HD PRO 12 -9.313 -4.201 -1.368
63 HD3 PRO 12 2HD PRO 12 -10.198 -5.634 -1.929
64 H PHE 13 H PHE 13 -7.741 -2.911 -3.065
65 HA PHE 13 HA PHE 13 -6.681 -1.389 -5.303
66 HB2 PHE 13 1HB PHE 13 -6.647 -0.724 -2.352
67 HB3 PHE 13 2HB PHE 13 -6.287 0.377 -3.678
68 HD1 PHE 13 HD1 PHE 13 -8.219 0.613 -5.457
69 HD2 PHE 13 HD2 PHE 13 -8.752 -0.692 -1.441
70 HE1 PHE 13 HE1 PHE 13 -10.591 1.257 -5.566
71 HE2 PHE 13 HE2 PHE 13 -11.125 -0.051 -1.544
72 HZ PHE 13 HZ PHE 13 -12.048 0.924 -3.609
73 H LYS 14 H LYS 14 -4.789 -2.111 -6.059
74 HA LYS 14 HA LYS 14 -2.736 -3.006 -4.169
75 HB2 LYS 14 1HB LYS 14 -1.853 -4.299 -5.838
76 HB3 LYS 14 2HB LYS 14 -3.525 -4.239 -6.380
77 HG2 LYS 14 1HG LYS 14 -2.469 -3.740 -8.330
78 HG3 LYS 14 2HG LYS 14 -2.666 -2.111 -7.679
79 HD2 LYS 14 1HD LYS 14 -0.445 -2.073 -8.263
80 HD3 LYS 14 2HD LYS 14 -0.331 -2.608 -6.585
81 HE2 LYS 14 1HE LYS 14 1.103 -3.971 -7.969
82 HE3 LYS 14 2HE LYS 14 -0.239 -4.945 -7.370
83 HZ1 LYS 14 3HZ LYS 14 0.529 -4.807 -9.944
84 HZ2 LYS 14 1HZ LYS 14 -0.737 -3.685 -9.915
85 HZ3 LYS 14 2HZ LYS 14 -1.010 -5.281 -9.425
86 H CYS 15 H CYS 15 -0.757 -2.033 -3.990
87 HA CYS 15 HA CYS 15 -0.593 0.720 -4.727
88 HB2 CYS 15 1HB CYS 15 0.371 -0.231 -2.628
89 HB3 CYS 15 2HB CYS 15 1.584 -1.053 -3.603
90 H LYS 16 H LYS 16 0.115 1.541 -6.572
91 HA LYS 16 HA LYS 16 1.393 -0.160 -8.532
92 HB2 LYS 16 1HB LYS 16 0.651 2.768 -8.684
93 HB3 LYS 16 2HB LYS 16 1.170 1.767 -10.034
94 HG2 LYS 16 1HG LYS 16 -1.271 1.137 -8.403
95 HG3 LYS 16 2HG LYS 16 -1.312 2.188 -9.820
96 HD2 LYS 16 1HD LYS 16 -0.071 -0.527 -10.009
97 HD3 LYS 16 2HD LYS 16 -1.827 -0.355 -10.073
98 HE2 LYS 16 1HE LYS 16 -0.044 1.299 -11.826
99 HE3 LYS 16 2HE LYS 16 -0.493 -0.343 -12.282
100 HZ1 LYS 16 3HZ LYS 16 -2.819 0.976 -11.503
101 HZ2 LYS 16 1HZ LYS 16 -2.391 0.454 -13.055
102 HZ3 LYS 16 2HZ LYS 16 -1.992 2.018 -12.548
103 H GLU 17 H GLU 17 2.797 0.699 -6.024
104 HA GLU 17 HA GLU 17 5.171 1.855 -7.329
105 HB2 GLU 17 1HB GLU 17 3.965 2.504 -4.653
106 HB3 GLU 17 2HB GLU 17 5.672 2.782 -4.969
107 HG2 GLU 17 1HG GLU 17 3.442 3.936 -6.624
108 HG3 GLU 17 2HG GLU 17 4.225 4.775 -5.286
109 H CYS 18 H CYS 18 4.012 -0.063 -4.572
110 HA CYS 18 HA CYS 18 6.497 -1.638 -4.743
111 HB2 CYS 18 1HB CYS 18 6.392 -1.974 -2.318
112 HB3 CYS 18 2HB CYS 18 6.499 -0.261 -2.711
113 H GLY 19 H GLY 19 3.070 -1.594 -4.647
114 HA2 GLY 19 1HA GLY 19 1.915 -3.526 -5.562
115 HA3 GLY 19 2HA GLY 19 3.064 -4.544 -4.706
116 H LYS 20 H LYS 20 2.788 -2.640 -2.345
117 HA LYS 20 HA LYS 20 1.261 -4.057 -0.653
118 HB2 LYS 20 1HB LYS 20 2.581 -1.996 -0.097
119 HB3 LYS 20 2HB LYS 20 1.229 -1.035 -0.684
120 HG2 LYS 20 1HG LYS 20 0.847 -1.059 1.581
121 HG3 LYS 20 2HG LYS 20 -0.153 -2.408 1.036
122 HD2 LYS 20 1HD LYS 20 1.909 -3.864 1.521
123 HD3 LYS 20 2HD LYS 20 2.503 -2.476 2.434
124 HE2 LYS 20 1HE LYS 20 -0.124 -3.886 2.893
125 HE3 LYS 20 2HE LYS 20 1.333 -4.098 3.862
126 HZ1 LYS 20 3HZ LYS 20 -0.658 -2.147 4.129
127 HZ2 LYS 20 1HZ LYS 20 0.782 -1.363 3.711
128 HZ3 LYS 20 2HZ LYS 20 0.730 -2.365 5.072
129 H ALA 21 H ALA 21 -0.789 -4.674 -0.510
130 HA ALA 21 HA ALA 21 -2.788 -3.309 -2.164
131 HB1 ALA 21 3HB ALA 21 -2.358 -5.825 -2.306
132 HB2 ALA 21 1HB ALA 21 -3.194 -5.929 -0.756
133 HB3 ALA 21 2HB ALA 21 -4.033 -5.291 -2.170
134 H PHE 22 H PHE 22 -4.924 -2.923 -1.298
135 HA PHE 22 HA PHE 22 -5.114 -2.792 1.617
136 HB2 PHE 22 1HB PHE 22 -5.856 -0.402 -0.061
137 HB3 PHE 22 2HB PHE 22 -5.671 -0.493 1.688
138 HD1 PHE 22 HD1 PHE 22 -3.750 -0.771 -1.480
139 HD2 PHE 22 HD2 PHE 22 -3.668 0.117 2.681
140 HE1 PHE 22 HE1 PHE 22 -1.421 -0.007 -1.693
141 HE2 PHE 22 HE2 PHE 22 -1.339 0.884 2.475
142 HZ PHE 22 HZ PHE 22 -0.213 0.824 0.285
143 H ARG 23 H ARG 23 -7.381 -2.078 2.278
144 HA ARG 23 HA ARG 23 -9.289 -3.515 0.582
145 HB2 ARG 23 1HB ARG 23 -9.425 -2.695 3.487
146 HB3 ARG 23 2HB ARG 23 -10.724 -3.510 2.627
147 HG2 ARG 23 1HG ARG 23 -9.403 -5.469 2.330
148 HG3 ARG 23 2HG ARG 23 -7.958 -4.650 2.928
149 HD2 ARG 23 1HD ARG 23 -9.124 -4.361 5.117
150 HD3 ARG 23 2HD ARG 23 -10.433 -5.363 4.492
151 HE ARG 23 HE ARG 23 -7.889 -6.253 5.450
152 HH11 ARG 23 1HH1 ARG 23 -10.499 -6.978 3.263
153 HH12 ARG 23 2HH1 ARG 23 -10.187 -8.682 3.249
154 HH21 ARG 23 1HH2 ARG 23 -7.468 -8.495 5.439
155 HH22 ARG 23 2HH2 ARG 23 -8.463 -9.544 4.488
156 H GLN 24 H GLN 24 -8.667 -0.392 2.031
157 HA GLN 24 HA GLN 24 -11.096 0.660 0.738
158 HB2 GLN 24 1HB GLN 24 -9.542 1.752 3.089
159 HB3 GLN 24 2HB GLN 24 -10.917 2.551 2.339
160 HG2 GLN 24 1HG GLN 24 -12.376 0.748 2.983
161 HG3 GLN 24 2HG GLN 24 -11.012 -0.167 3.624
162 HE21 GLN 24 1HE2 GLN 24 -9.698 1.144 5.279
163 HE22 GLN 24 2HE2 GLN 24 -10.627 1.964 6.482
164 H ASN 25 H ASN 25 -10.964 2.469 -0.561
165 HA ASN 25 HA ASN 25 -8.612 2.833 -2.040
166 HB2 ASN 25 1HB ASN 25 -10.804 3.353 -2.967
167 HB3 ASN 25 2HB ASN 25 -11.026 4.640 -1.786
168 HD21 ASN 25 1HD2 ASN 25 -10.645 4.326 -4.861
169 HD22 ASN 25 2HD2 ASN 25 -9.573 5.628 -5.237
170 H ILE 26 H ILE 26 -9.916 4.563 0.727
171 HA ILE 26 HA ILE 26 -8.253 6.812 0.671
172 HB ILE 26 HB ILE 26 -10.178 6.705 2.146
173 HG12 ILE 26 1HG1 ILE 26 -7.771 6.853 3.948
174 HG13 ILE 26 2HG1 ILE 26 -8.053 8.062 2.700
175 HG21 ILE 26 1HG2 ILE 26 -10.215 5.315 4.134
176 HG22 ILE 26 2HG2 ILE 26 -10.032 4.314 2.694
177 HG23 ILE 26 3HG2 ILE 26 -8.636 4.647 3.720
178 HD11 ILE 26 3HD1 ILE 26 -9.800 8.989 3.801
179 HD12 ILE 26 1HD1 ILE 26 -10.288 7.466 4.544
180 HD13 ILE 26 2HD1 ILE 26 -8.908 8.357 5.185
181 H HIS 27 H HIS 27 -7.764 3.610 2.088
182 HA HIS 27 HA HIS 27 -5.381 4.135 3.460
183 HB2 HIS 27 1HB HIS 27 -6.624 1.657 2.319
184 HB3 HIS 27 2HB HIS 27 -4.991 1.591 2.975
185 HD1 HIS 27 HD1 HIS 27 -6.108 -0.073 4.756
186 HD2 HIS 27 HD2 HIS 27 -7.275 3.908 4.989
187 HE1 HIS 27 HE1 HIS 27 -7.166 0.186 7.023
188 H LEU 28 H LEU 28 -5.857 2.804 0.189
189 HA LEU 28 HA LEU 28 -3.190 2.545 -0.529
190 HB2 LEU 28 1HB LEU 28 -4.873 1.595 -1.907
191 HB3 LEU 28 2HB LEU 28 -5.631 3.163 -2.172
192 HG LEU 28 HG LEU 28 -3.612 3.846 -3.465
193 HD11 LEU 28 1HD1 LEU 28 -1.942 2.325 -4.067
194 HD12 LEU 28 2HD1 LEU 28 -2.872 0.939 -3.499
195 HD13 LEU 28 3HD1 LEU 28 -2.169 2.064 -2.337
196 HD21 LEU 28 3HD2 LEU 28 -4.313 2.821 -5.451
197 HD22 LEU 28 1HD2 LEU 28 -5.748 2.828 -4.426
198 HD23 LEU 28 2HD2 LEU 28 -4.811 1.346 -4.619
199 H ALA 29 H ALA 29 -5.356 5.299 -1.189
200 HA ALA 29 HA ALA 29 -3.416 6.957 -2.351
201 HB1 ALA 29 3HB ALA 29 -6.125 7.317 -1.241
202 HB2 ALA 29 1HB ALA 29 -5.122 8.765 -1.331
203 HB3 ALA 29 2HB ALA 29 -5.453 7.828 -2.789
204 H SER 30 H SER 30 -3.937 6.063 0.914
205 HA SER 30 HA SER 30 -2.553 8.374 2.004
206 HB2 SER 30 1HB SER 30 -3.903 5.968 3.193
207 HB3 SER 30 2HB SER 30 -2.815 6.950 4.173
208 HG SER 30 HG SER 30 -4.265 8.730 3.141
209 H HIS 31 H HIS 31 -1.821 5.228 0.877
210 HA HIS 31 HA HIS 31 0.708 5.107 2.333
211 HB2 HIS 31 1HB HIS 31 -0.410 3.012 2.270
212 HB3 HIS 31 2HB HIS 31 -0.739 3.155 0.546
213 HD1 HIS 31 HD1 HIS 31 2.078 2.450 2.948
214 HD2 HIS 31 HD2 HIS 31 1.243 2.199 -1.114
215 HE1 HIS 31 HE1 HIS 31 3.995 1.168 1.945
216 H LEU 32 H LEU 32 -0.487 5.180 -1.010
217 HA LEU 32 HA LEU 32 1.913 5.097 -2.369
218 HB2 LEU 32 1HB LEU 32 -0.598 6.631 -3.008
219 HB3 LEU 32 2HB LEU 32 0.744 6.434 -4.133
220 HG LEU 32 HG LEU 32 -0.701 4.069 -2.975
221 HD11 LEU 32 1HD1 LEU 32 -1.426 5.674 -5.418
222 HD12 LEU 32 2HD1 LEU 32 -2.427 5.372 -3.998
223 HD13 LEU 32 3HD1 LEU 32 -2.017 4.046 -5.086
224 HD21 LEU 32 3HD2 LEU 32 1.552 3.889 -4.135
225 HD22 LEU 32 1HD2 LEU 32 0.709 4.353 -5.614
226 HD23 LEU 32 2HD2 LEU 32 0.253 2.876 -4.765
227 H ARG 33 H ARG 33 0.503 7.710 -0.553
228 HA ARG 33 HA ARG 33 1.900 9.886 -1.585
229 HB2 ARG 33 1HB ARG 33 1.398 11.021 0.460
230 HB3 ARG 33 2HB ARG 33 0.036 9.971 0.091
231 HG2 ARG 33 1HG ARG 33 1.066 8.290 1.669
232 HG3 ARG 33 2HG ARG 33 2.169 9.574 2.166
233 HD2 ARG 33 1HD ARG 33 -0.808 9.956 2.189
234 HD3 ARG 33 2HD ARG 33 0.037 9.211 3.546
235 HE ARG 33 HE ARG 33 1.183 11.715 2.763
236 HH11 ARG 33 1HH1 ARG 33 -1.350 10.217 4.623
237 HH12 ARG 33 2HH1 ARG 33 -1.513 11.551 5.718
238 HH21 ARG 33 1HH2 ARG 33 0.979 13.476 4.197
239 HH22 ARG 33 2HH2 ARG 33 -0.188 13.404 5.474
240 H ILE 34 H ILE 34 2.982 7.267 0.397
241 HA ILE 34 HA ILE 34 5.360 8.574 1.344
242 HB ILE 34 HB ILE 34 5.936 6.552 2.382
243 HG12 ILE 34 1HG1 ILE 34 4.420 4.462 1.669
244 HG13 ILE 34 2HG1 ILE 34 4.409 5.332 0.138
245 HG21 ILE 34 1HG2 ILE 34 2.990 7.021 2.277
246 HG22 ILE 34 2HG2 ILE 34 3.629 5.666 3.207
247 HG23 ILE 34 3HG2 ILE 34 4.128 7.313 3.592
248 HD11 ILE 34 3HD1 ILE 34 7.029 4.950 1.452
249 HD12 ILE 34 1HD1 ILE 34 6.253 3.528 0.755
250 HD13 ILE 34 2HD1 ILE 34 6.599 4.930 -0.258
251 H HIS 35 H HIS 35 4.430 7.161 -1.581
252 HA HIS 35 HA HIS 35 7.186 6.515 -2.342
253 HB2 HIS 35 1HB HIS 35 4.545 5.946 -3.698
254 HB3 HIS 35 2HB HIS 35 6.113 5.555 -4.399
255 HD1 HIS 35 HD1 HIS 35 7.622 4.134 -2.358
256 HD2 HIS 35 HD2 HIS 35 3.498 3.709 -2.631
257 HE1 HIS 35 HE1 HIS 35 7.093 1.957 -1.215
258 H THR 36 H THR 36 4.659 8.822 -2.859
259 HA THR 36 HA THR 36 5.537 9.913 -5.309
260 HB THR 36 HB THR 36 4.363 12.051 -4.205
261 HG1 THR 36 HG1 THR 36 3.628 11.551 -2.288
262 HG21 THR 36 3HG2 THR 36 2.444 9.887 -4.813
263 HG22 THR 36 1HG2 THR 36 3.656 10.220 -6.048
264 HG23 THR 36 2HG2 THR 36 2.582 11.506 -5.498
265 H GLY 37 H GLY 37 7.836 10.032 -5.073
266 HA2 GLY 37 1HA GLY 37 9.833 11.044 -4.536
267 HA3 GLY 37 2HA GLY 37 8.888 12.523 -4.625
268 H GLU 38 H GLU 38 10.398 10.206 -2.551
269 HA GLU 38 HA GLU 38 10.143 12.056 -0.321
270 HB2 GLU 38 1HB GLU 38 8.219 10.397 -0.221
271 HB3 GLU 38 2HB GLU 38 9.427 9.152 0.065
272 HG2 GLU 38 1HG GLU 38 10.195 10.642 2.013
273 HG3 GLU 38 2HG GLU 38 8.636 11.442 1.818
274 H LYS 39 H LYS 39 11.998 12.205 0.766
275 HA LYS 39 HA LYS 39 13.878 9.950 0.693
276 HB2 LYS 39 1HB LYS 39 14.463 12.822 -0.019
277 HB3 LYS 39 2HB LYS 39 15.727 11.689 0.443
278 HG2 LYS 39 1HG LYS 39 15.797 11.534 -1.840
279 HG3 LYS 39 2HG LYS 39 14.697 10.211 -1.444
280 HD2 LYS 39 1HD LYS 39 13.530 11.253 -3.127
281 HD3 LYS 39 2HD LYS 39 12.865 12.071 -1.711
282 HE2 LYS 39 1HE LYS 39 14.712 13.807 -2.087
283 HE3 LYS 39 2HE LYS 39 14.898 13.075 -3.679
284 HZ1 LYS 39 3HZ LYS 39 12.569 14.515 -2.578
285 HZ2 LYS 39 1HZ LYS 39 12.397 13.454 -3.885
286 HZ3 LYS 39 2HZ LYS 39 13.408 14.803 -4.018
287 HA PRO 40 HA PRO 40 14.063 10.741 5.033
288 HB2 PRO 40 1HB PRO 40 16.266 9.255 5.588
289 HB3 PRO 40 2HB PRO 40 14.687 8.540 5.244
290 HG2 PRO 40 1HG PRO 40 17.041 8.897 3.429
291 HG3 PRO 40 2HG PRO 40 15.970 7.495 3.610
292 HD2 PRO 40 1HD PRO 40 15.714 9.271 1.582
293 HD3 PRO 40 2HD PRO 40 14.324 8.422 2.290
294 H SER 41 H SER 41 14.849 12.424 6.126
295 HA SER 41 HA SER 41 16.892 14.080 5.080
296 HB2 SER 41 1HB SER 41 14.940 14.759 6.592
297 HB3 SER 41 2HB SER 41 15.911 14.152 7.933
298 HG SER 41 HG SER 41 17.530 15.646 7.341
299 H GLY 42 H GLY 42 18.904 14.674 6.131
300 HA2 GLY 42 1HA GLY 42 20.386 13.927 8.081
301 HA3 GLY 42 2HA GLY 42 20.168 12.326 7.389
302 HA PRO 43 HA PRO 43 23.801 13.002 5.016
303 HB2 PRO 43 1HB PRO 43 23.383 11.187 3.042
304 HB3 PRO 43 2HB PRO 43 23.834 10.728 4.688
305 HG2 PRO 43 1HG PRO 43 21.132 10.744 3.399
306 HG3 PRO 43 2HG PRO 43 21.859 9.522 4.458
307 HD2 PRO 43 1HD PRO 43 20.068 11.345 5.352
308 HD3 PRO 43 2HD PRO 43 21.376 10.711 6.372
309 H SER 44 H SER 44 24.066 14.802 3.855
310 HA SER 44 HA SER 44 22.178 15.406 1.693
311 HB2 SER 44 1HB SER 44 23.126 17.692 1.783
312 HB3 SER 44 2HB SER 44 22.480 17.182 3.343
313 HG SER 44 HG SER 44 25.015 17.872 2.669
314 H SER 45 H SER 45 25.685 15.540 2.322
315 HA SER 45 HA SER 45 26.521 15.981 -0.290
316 HB2 SER 45 1HB SER 45 27.904 15.998 1.877
317 HB3 SER 45 2HB SER 45 28.068 14.258 1.642
318 HG SER 45 HG SER 45 28.630 15.887 -0.542
319 H GLY 46 H GLY 46 27.607 14.480 -1.774
320 HA2 GLY 46 1HA GLY 46 25.945 12.373 -2.556
321 HA3 GLY 46 2HA GLY 46 27.589 12.625 -3.124