Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
12332 | 1ssl RC | 6165 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H GLY 1 HT1 GLY 1 5.934 9.110 23.250
2 2H GLY 1 HT2 GLY 1 6.661 7.960 24.267
3 3H GLY 1 HT3 GLY 1 5.575 9.099 24.907
4 1HA GLY 1 HA2 GLY 1 4.886 6.606 24.278
5 2HA GLY 1 HA1 GLY 1 3.759 7.963 24.266
6 H SER 2 HN SER 2 4.813 5.442 22.421
7 HA SER 2 HA SER 2 3.945 6.819 19.908
8 1HB SER 2 HB2 SER 2 6.407 6.676 20.002
9 2HB SER 2 HB1 SER 2 6.303 4.944 20.302
10 HG SER 2 HG SER 2 6.567 5.900 18.017
11 H ALA 3 HN ALA 3 2.026 5.756 19.493
12 HA ALA 3 HA ALA 3 2.068 2.898 18.907
13 1HB ALA 3 HB1 ALA 3 0.451 2.318 20.712
14 2HB ALA 3 HB2 ALA 3 0.586 3.962 21.335
15 3HB ALA 3 HB3 ALA 3 1.986 2.890 21.365
16 H MET 4 HN MET 4 -0.526 2.259 18.788
17 HA MET 4 HA MET 4 -2.476 2.614 17.498
18 1HB MET 4 HB2 MET 4 -2.107 5.469 18.435
19 2HB MET 4 HB1 MET 4 -3.624 4.624 18.123
20 1HG MET 4 HG2 MET 4 -2.963 3.010 19.980
21 2HG MET 4 HG1 MET 4 -1.668 4.139 20.381
22 1HE MET 4 HE1 MET 4 -1.990 5.886 22.178
23 2HE MET 4 HE2 MET 4 -2.469 4.270 22.691
24 3HE MET 4 HE3 MET 4 -3.440 5.661 23.166
25 H GLY 5 HN GLY 5 -0.080 2.728 15.982
26 1HA GLY 5 HA2 GLY 5 -0.955 4.547 13.823
27 2HA GLY 5 HA1 GLY 5 0.681 4.789 14.437
28 H CYS 6 HN CYS 6 -0.481 3.704 11.805
29 HA CYS 6 HA CYS 6 0.101 0.950 11.486
30 1HB CYS 6 HB2 CYS 6 -1.010 2.042 9.730
31 2HB CYS 6 HB1 CYS 6 0.093 3.412 9.754
32 H ARG 7 HN ARG 7 2.229 3.786 11.482
33 HA ARG 7 HA ARG 7 4.611 2.448 10.565
34 1HB ARG 7 HB2 ARG 7 5.668 4.490 11.646
35 2HB ARG 7 HB1 ARG 7 4.377 4.855 10.501
36 1HG ARG 7 HG2 ARG 7 3.227 4.422 13.099
37 2HG ARG 7 HG1 ARG 7 4.525 5.608 13.233
38 1HD ARG 7 HD2 ARG 7 2.455 5.808 11.036
39 2HD ARG 7 HD1 ARG 7 2.184 6.525 12.637
40 HE ARG 7 HE ARG 7 4.687 7.430 12.069
41 1HH1 ARG 7 HH11 ARG 7 2.469 9.357 11.875
42 2HH1 ARG 7 HH12 ARG 7 2.526 9.855 10.217
43 1HH2 ARG 7 HH21 ARG 7 4.478 7.173 9.205
44 2HH2 ARG 7 HH22 ARG 7 3.663 8.617 8.704
45 H HIS 8 HN HIS 8 2.893 2.404 13.553
46 HA HIS 8 HA HIS 8 5.221 1.629 15.194
47 1HB HIS 8 HB2 HIS 8 3.686 2.898 16.397
48 2HB HIS 8 HB1 HIS 8 2.303 2.221 15.541
49 HD1 HIS 8 HD1 HIS 8 4.769 1.384 18.287
50 HD2 HIS 8 HD2 HIS 8 1.169 -0.048 16.743
51 HE1 HIS 8 HE1 HIS 8 3.956 -0.393 19.898
52 H PHE 9 HN PHE 9 2.710 0.113 13.319
53 HA PHE 9 HA PHE 9 2.508 -2.423 14.585
54 1HB PHE 9 HB2 PHE 9 2.372 -1.527 11.690
55 2HB PHE 9 HB1 PHE 9 1.872 -3.126 12.235
56 HD1 PHE 9 HD1 PHE 9 -0.141 -1.659 10.907
57 HD2 PHE 9 HD2 PHE 9 1.094 -1.288 14.998
58 HE1 PHE 9 HE1 PHE 9 -2.374 -0.760 11.489
59 HE2 PHE 9 HE2 PHE 9 -1.141 -0.391 15.586
60 HZ PHE 9 HZ PHE 9 -2.873 -0.122 13.835
61 H GLN 10 HN GLN 10 4.067 -3.982 14.863
62 HA GLN 10 HA GLN 10 6.740 -3.701 13.813
63 1HB GLN 10 HB2 GLN 10 5.346 -5.165 15.770
64 2HB GLN 10 HB1 GLN 10 6.028 -6.377 14.683
65 1HG GLN 10 HG2 GLN 10 8.122 -5.988 15.427
66 2HG GLN 10 HG1 GLN 10 7.933 -4.245 15.232
67 1HE2 GLN 10 HE21 GLN 10 9.240 -4.418 17.413
68 2HE2 GLN 10 HE22 GLN 10 8.311 -4.496 18.831
69 H SER 11 HN SER 11 3.932 -5.650 12.842
70 HA SER 11 HA SER 11 5.534 -6.707 10.537
71 1HB SER 11 HB2 SER 11 4.074 -7.994 12.472
72 2HB SER 11 HB1 SER 11 2.887 -7.857 11.178
73 HG SER 11 HG SER 11 4.646 -8.690 9.795
74 H CYS 12 HN CYS 12 3.632 -7.378 8.769
75 HA CYS 12 HA CYS 12 2.508 -4.756 7.950
76 1HB CYS 12 HB2 CYS 12 3.537 -5.554 6.085
77 2HB CYS 12 HB1 CYS 12 3.598 -7.190 6.725
78 H SER 13 HN SER 13 1.492 -7.597 9.504
79 HA SER 13 HA SER 13 -1.072 -8.129 8.443
80 1HB SER 13 HB2 SER 13 0.510 -8.738 10.731
81 2HB SER 13 HB1 SER 13 -1.081 -8.258 11.315
82 HG SER 13 HG SER 13 -1.687 -10.170 10.710
83 H GLN 14 HN GLN 14 -0.366 -6.043 11.278
84 HA GLN 14 HA GLN 14 -3.015 -4.877 11.305
85 1HB GLN 14 HB2 GLN 14 -1.096 -5.193 13.104
86 2HB GLN 14 HB1 GLN 14 -0.599 -3.600 12.538
87 1HG GLN 14 HG2 GLN 14 -2.121 -2.805 14.020
88 2HG GLN 14 HG1 GLN 14 -3.322 -3.292 12.823
89 1HE2 GLN 14 HE21 GLN 14 -1.738 -4.294 15.851
90 2HE2 GLN 14 HE22 GLN 14 -2.873 -5.495 16.243
91 H CYS 15 HN CYS 15 0.006 -4.047 9.714
92 HA CYS 15 HA CYS 15 -0.425 -1.279 9.181
93 1HB CYS 15 HB2 CYS 15 1.104 -3.565 8.041
94 2HB CYS 15 HB1 CYS 15 0.924 -2.145 7.010
95 H LEU 16 HN LEU 16 -1.540 -4.189 7.482
96 HA LEU 16 HA LEU 16 -3.154 -2.445 5.665
97 1HB LEU 16 HB2 LEU 16 -1.923 -5.193 5.500
98 2HB LEU 16 HB1 LEU 16 -3.225 -4.730 4.401
99 HG LEU 16 HG LEU 16 -1.911 -2.755 3.688
100 1HD1 LEU 16 HD11 LEU 16 0.617 -2.956 4.380
101 2HD1 LEU 16 HD12 LEU 16 -0.031 -3.825 5.771
102 3HD1 LEU 16 HD13 LEU 16 -0.522 -2.159 5.466
103 1HD2 LEU 16 HD21 LEU 16 -0.246 -5.280 3.514
104 2HD2 LEU 16 HD22 LEU 16 -0.293 -3.953 2.355
105 3HD2 LEU 16 HD23 LEU 16 -1.697 -5.003 2.550
106 H SER 17 HN SER 17 -3.480 -4.176 8.487
107 HA SER 17 HA SER 17 -6.191 -5.237 7.823
108 1HB SER 17 HB2 SER 17 -4.247 -5.609 10.113
109 2HB SER 17 HB1 SER 17 -5.881 -6.259 10.145
110 HG SER 17 HG SER 17 -4.035 -6.733 8.046
111 H ALA 18 HN ALA 18 -4.732 -2.462 9.162
112 HA ALA 18 HA ALA 18 -7.342 -1.662 10.374
113 1HB ALA 18 HB1 ALA 18 -4.605 -1.412 11.666
114 2HB ALA 18 HB2 ALA 18 -5.829 -2.600 12.115
115 3HB ALA 18 HB3 ALA 18 -6.132 -0.882 12.371
116 HA PRO 19 HA PRO 19 -5.118 1.554 7.801
117 1HB PRO 19 HB2 PRO 19 -6.921 1.688 5.750
118 2HB PRO 19 HB1 PRO 19 -5.522 0.598 5.763
119 1HG PRO 19 HG2 PRO 19 -8.377 0.011 6.279
120 2HG PRO 19 HG1 PRO 19 -7.129 -0.994 5.533
121 1HD PRO 19 HD2 PRO 19 -8.029 -1.268 8.133
122 2HD PRO 19 HD1 PRO 19 -6.477 -1.873 7.520
123 HA PRO 20 HA PRO 20 -9.241 3.960 8.349
124 1HB PRO 20 HB2 PRO 20 -11.016 2.950 10.164
125 2HB PRO 20 HB1 PRO 20 -11.094 2.582 8.430
126 1HG PRO 20 HG2 PRO 20 -10.045 0.938 10.669
127 2HG PRO 20 HG1 PRO 20 -10.925 0.441 9.215
128 1HD PRO 20 HD2 PRO 20 -8.223 0.189 9.546
129 2HD PRO 20 HD1 PRO 20 -9.024 0.297 7.967
130 H PHE 21 HN PHE 21 -7.416 2.318 10.753
131 HA PHE 21 HA PHE 21 -7.839 4.542 12.714
132 1HB PHE 21 HB2 PHE 21 -6.477 1.884 13.197
133 2HB PHE 21 HB1 PHE 21 -7.247 2.946 14.378
134 HD1 PHE 21 HD1 PHE 21 -7.699 -0.132 13.333
135 HD2 PHE 21 HD2 PHE 21 -9.789 3.607 13.002
136 HE1 PHE 21 HE1 PHE 21 -9.835 -1.353 13.029
137 HE2 PHE 21 HE2 PHE 21 -11.925 2.384 12.698
138 HZ PHE 21 HZ PHE 21 -11.949 -0.096 12.711
139 H VAL 22 HN VAL 22 -5.718 3.457 10.337
140 HA VAL 22 HA VAL 22 -3.453 4.997 11.556
141 HB VAL 22 HB VAL 22 -1.945 3.284 10.764
142 1HG1 VAL 22 HG11 VAL 22 -3.202 2.834 12.890
143 2HG1 VAL 22 HG12 VAL 22 -2.685 1.367 12.058
144 3HG1 VAL 22 HG13 VAL 22 -4.364 1.896 11.951
145 1HG2 VAL 22 HG21 VAL 22 -4.308 2.558 9.138
146 2HG2 VAL 22 HG22 VAL 22 -3.375 1.194 9.752
147 3HG2 VAL 22 HG23 VAL 22 -2.592 2.419 8.754
148 H GLN 23 HN GLN 23 -1.842 5.622 9.751
149 HA GLN 23 HA GLN 23 -3.296 6.128 7.176
150 1HB GLN 23 HB2 GLN 23 -3.301 8.114 8.601
151 2HB GLN 23 HB1 GLN 23 -1.558 7.981 8.835
152 1HG GLN 23 HG2 GLN 23 -1.173 9.111 6.929
153 2HG GLN 23 HG1 GLN 23 -2.150 7.962 6.015
154 1HE2 GLN 23 HE21 GLN 23 -2.662 10.705 8.318
155 2HE2 GLN 23 HE22 GLN 23 -4.012 11.327 7.498
156 H CYS 24 HN CYS 24 -0.457 4.978 8.722
157 HA CYS 24 HA CYS 24 1.404 5.537 6.540
158 1HB CYS 24 HB2 CYS 24 2.763 5.159 8.305
159 2HB CYS 24 HB1 CYS 24 1.398 4.612 9.262
160 H GLY 25 HN GLY 25 2.631 3.532 5.645
161 1HA GLY 25 HA2 GLY 25 0.929 1.178 5.121
162 2HA GLY 25 HA1 GLY 25 1.334 2.169 3.718
163 H TRP 26 HN TRP 26 2.382 -0.206 3.347
164 HA TRP 26 HA TRP 26 5.008 -0.426 4.696
165 1HB TRP 26 HB2 TRP 26 3.308 -2.286 4.004
166 2HB TRP 26 HB1 TRP 26 3.976 -2.083 2.390
167 HD1 TRP 26 HD1 TRP 26 6.282 -3.148 1.896
168 HE1 TRP 26 HE1 TRP 26 7.959 -4.530 3.285
169 HE3 TRP 26 HE3 TRP 26 4.273 -2.556 6.548
170 HZ2 TRP 26 HZ2 TRP 26 8.390 -5.284 6.015
171 HZ3 TRP 26 HZ3 TRP 26 5.330 -3.619 8.523
172 HH2 TRP 26 HH2 TRP 26 7.384 -4.980 8.261
173 H CYS 27 HN CYS 27 6.932 0.251 3.733
174 HA CYS 27 HA CYS 27 6.784 1.162 0.875
175 1HB CYS 27 HB2 CYS 27 6.647 2.820 2.952
176 2HB CYS 27 HB1 CYS 27 8.397 2.616 2.939
177 H HIS 28 HN HIS 28 8.036 -0.540 0.052
178 HA HIS 28 HA HIS 28 9.961 -1.833 -0.382
179 1HB HIS 28 HB2 HIS 28 10.697 0.996 0.146
180 2HB HIS 28 HB1 HIS 28 12.025 -0.157 0.020
181 HD1 HIS 28 HD1 HIS 28 8.749 0.107 -1.931
182 HD2 HIS 28 HD2 HIS 28 12.861 -0.026 -2.605
183 HE1 HIS 28 HE1 HIS 28 9.065 0.106 -4.445
184 H ASP 29 HN ASP 29 9.176 -1.361 2.783
185 HA ASP 29 HA ASP 29 10.887 -3.323 3.827
186 1HB ASP 29 HB2 ASP 29 12.436 -1.597 5.101
187 2HB ASP 29 HB1 ASP 29 12.836 -2.117 3.466
188 H LYS 30 HN LYS 30 10.619 -0.145 5.396
189 HA LYS 30 HA LYS 30 9.152 -1.397 7.631
190 1HB LYS 30 HB2 LYS 30 11.073 0.066 8.025
191 2HB LYS 30 HB1 LYS 30 10.303 1.364 7.114
192 1HG LYS 30 HG2 LYS 30 9.924 1.859 9.423
193 2HG LYS 30 HG1 LYS 30 8.394 1.245 8.799
194 1HD LYS 30 HD2 LYS 30 8.734 -0.898 9.792
195 2HD LYS 30 HD1 LYS 30 10.429 -0.549 10.133
196 1HE LYS 30 HE2 LYS 30 9.477 1.427 11.572
197 2HE LYS 30 HE1 LYS 30 7.975 0.482 11.542
198 1HZ LYS 30 HZ1 LYS 30 9.974 0.014 13.256
199 2HZ LYS 30 HZ2 LYS 30 10.402 -1.040 11.995
200 3HZ LYS 30 HZ3 LYS 30 8.881 -1.175 12.741
201 H CYS 31 HN CYS 31 7.199 -0.328 8.507
202 HA CYS 31 HA CYS 31 5.308 0.357 6.370
203 1HB CYS 31 HB2 CYS 31 5.204 -0.967 8.767
204 2HB CYS 31 HB1 CYS 31 4.523 0.600 9.207
205 H VAL 32 HN VAL 32 5.576 2.438 5.620
206 HA VAL 32 HA VAL 32 5.162 4.647 7.568
207 HB VAL 32 HB VAL 32 7.098 5.837 6.696
208 1HG1 VAL 32 HG11 VAL 32 7.310 3.825 8.383
209 2HG1 VAL 32 HG12 VAL 32 8.766 4.558 7.711
210 3HG1 VAL 32 HG13 VAL 32 8.151 3.046 7.044
211 1HG2 VAL 32 HG21 VAL 32 7.577 3.440 4.903
212 2HG2 VAL 32 HG22 VAL 32 8.482 4.954 4.923
213 3HG2 VAL 32 HG23 VAL 32 6.814 4.931 4.352
214 H ARG 33 HN ARG 33 4.866 6.777 6.155
215 HA ARG 33 HA ARG 33 3.226 6.001 3.770
216 1HB ARG 33 HB2 ARG 33 2.422 7.232 6.042
217 2HB ARG 33 HB1 ARG 33 2.881 8.645 5.090
218 1HG ARG 33 HG2 ARG 33 1.514 7.109 3.250
219 2HG ARG 33 HG1 ARG 33 0.615 6.812 4.735
220 1HD ARG 33 HD2 ARG 33 0.337 9.231 5.087
221 2HD ARG 33 HD1 ARG 33 1.290 9.562 3.627
222 HE ARG 33 HE ARG 33 -1.387 8.239 3.656
223 1HH1 ARG 33 HH21 ARG 33 0.552 7.397 1.448
224 2HH1 ARG 33 HH22 ARG 33 0.087 8.472 0.172
225 1HH2 ARG 33 HH11 ARG 33 -1.682 10.605 2.255
226 2HH2 ARG 33 HH12 ARG 33 -1.176 10.288 0.630
227 H SER 34 HN SER 34 3.029 7.978 2.214
228 HA SER 34 HA SER 34 5.332 8.448 0.789
229 1HB SER 34 HB2 SER 34 4.144 10.703 0.244
230 2HB SER 34 HB1 SER 34 3.276 9.205 -0.085
231 HG SER 34 HG SER 34 1.869 9.755 1.371
232 H GLU 35 HN GLU 35 4.147 10.622 3.385
233 HA GLU 35 HA GLU 35 6.108 12.568 3.451
234 1HB GLU 35 HB2 GLU 35 4.223 11.319 5.254
235 2HB GLU 35 HB1 GLU 35 5.685 11.768 6.132
236 1HG GLU 35 HG2 GLU 35 4.259 13.668 4.260
237 2HG GLU 35 HG1 GLU 35 3.894 13.575 5.983
238 H GLU 36 HN GLU 36 6.464 9.187 4.367
239 HA GLU 36 HA GLU 36 9.192 9.693 5.446
240 1HB GLU 36 HB2 GLU 36 7.080 7.614 5.614
241 2HB GLU 36 HB1 GLU 36 8.740 7.020 5.668
242 1HG GLU 36 HG2 GLU 36 7.806 9.317 7.395
243 2HG GLU 36 HG1 GLU 36 7.677 7.638 7.920
244 H CYS 37 HN CYS 37 7.528 7.981 2.804
245 HA CYS 37 HA CYS 37 9.918 6.732 1.738
246 1HB CYS 37 HB2 CYS 37 7.294 7.455 0.391
247 2HB CYS 37 HB1 CYS 37 8.433 6.217 -0.136
248 H LEU 38 HN LEU 38 11.590 8.035 1.034
249 HA LEU 38 HA LEU 38 11.158 10.710 -0.043
250 1HB LEU 38 HB2 LEU 38 13.610 8.926 -0.120
251 2HB LEU 38 HB1 LEU 38 13.579 10.687 -0.212
252 HG LEU 38 HG LEU 38 12.819 8.963 2.159
253 1HD1 LEU 38 HD11 LEU 38 14.863 11.184 1.878
254 2HD1 LEU 38 HD12 LEU 38 15.250 9.469 1.739
255 3HD1 LEU 38 HD13 LEU 38 14.641 10.115 3.263
256 1HD2 LEU 38 HD21 LEU 38 12.236 11.066 3.292
257 2HD2 LEU 38 HD22 LEU 38 11.223 10.845 1.865
258 3HD2 LEU 38 HD23 LEU 38 12.580 11.971 1.817
259 H SER 39 HN SER 39 10.931 7.583 -1.357
260 HA SER 39 HA SER 39 11.802 8.334 -4.081
261 1HB SER 39 HB2 SER 39 11.787 6.029 -2.614
262 2HB SER 39 HB1 SER 39 10.316 5.824 -3.560
263 HG SER 39 HG SER 39 12.531 6.765 -4.933
264 H GLY 40 HN GLY 40 8.891 8.228 -2.189
265 1HA GLY 40 HA2 GLY 40 6.825 9.255 -2.848
266 2HA GLY 40 HA1 GLY 40 7.355 9.183 -4.530
267 H THR 41 HN THR 41 8.129 6.233 -3.391
268 HA THR 41 HA THR 41 5.689 5.015 -4.543
269 HB THR 41 HB THR 41 8.045 4.372 -5.155
270 HG1 THR 41 HG1 THR 41 6.253 2.525 -4.013
271 1HG2 THR 41 HG21 THR 41 8.693 4.613 -2.610
272 2HG2 THR 41 HG22 THR 41 9.511 3.422 -3.622
273 3HG2 THR 41 HG23 THR 41 8.213 2.917 -2.540
274 H TRP 42 HN TRP 42 4.104 4.142 -3.267
275 HA TRP 42 HA TRP 42 4.763 3.413 -0.436
276 1HB TRP 42 HB2 TRP 42 3.775 5.697 -0.626
277 2HB TRP 42 HB1 TRP 42 2.377 5.001 -1.446
278 HD1 TRP 42 HD1 TRP 42 4.245 4.669 1.922
279 HE1 TRP 42 HE1 TRP 42 2.515 4.087 3.743
280 HE3 TRP 42 HE3 TRP 42 0.049 4.236 -0.956
281 HZ2 TRP 42 HZ2 TRP 42 -0.286 3.518 3.949
282 HZ3 TRP 42 HZ3 TRP 42 -2.132 3.671 0.076
283 HH2 TRP 42 HH2 TRP 42 -2.305 3.313 2.522
284 H THR 43 HN THR 43 4.191 1.255 -0.213
285 HA THR 43 HA THR 43 1.929 0.258 -1.909
286 HB THR 43 HB THR 43 4.083 -0.772 -2.385
287 HG1 THR 43 HG1 THR 43 3.043 -2.568 -2.513
288 1HG2 THR 43 HG21 THR 43 4.154 -1.322 0.591
289 2HG2 THR 43 HG22 THR 43 5.259 -0.295 -0.323
290 3HG2 THR 43 HG23 THR 43 5.264 -2.041 -0.575
291 H GLN 44 HN GLN 44 0.120 -0.396 -0.880
292 HA GLN 44 HA GLN 44 0.246 -0.885 2.078
293 1HB GLN 44 HB2 GLN 44 -0.936 1.171 1.409
294 2HB GLN 44 HB1 GLN 44 -1.954 0.242 0.309
295 1HG GLN 44 HG2 GLN 44 -3.381 -0.138 2.004
296 2HG GLN 44 HG1 GLN 44 -2.112 -1.035 2.834
297 1HE2 GLN 44 HE21 GLN 44 -4.166 1.588 3.219
298 2HE2 GLN 44 HE22 GLN 44 -3.275 2.457 4.373
299 H GLN 45 HN GLN 45 0.611 -2.843 -0.138
300 HA GLN 45 HA GLN 45 -1.479 -4.777 0.695
301 1HB GLN 45 HB2 GLN 45 -1.975 -5.251 -1.712
302 2HB GLN 45 HB1 GLN 45 -2.412 -3.606 -1.247
303 1HG GLN 45 HG2 GLN 45 0.288 -3.469 -2.030
304 2HG GLN 45 HG1 GLN 45 -0.502 -4.485 -3.237
305 1HE2 GLN 45 HE21 GLN 45 0.425 -1.816 -3.839
306 2HE2 GLN 45 HE22 GLN 45 -0.934 -0.854 -4.167
307 H ILE 46 HN ILE 46 0.015 -6.277 1.503
308 HA ILE 46 HA ILE 46 1.913 -7.449 -0.475
309 HB ILE 46 HB ILE 46 2.601 -6.456 2.312
310 1HG1 ILE 46 HG12 ILE 46 2.365 -4.688 0.555
311 2HG1 ILE 46 HG11 ILE 46 4.016 -4.841 1.152
312 1HG2 ILE 46 HG21 ILE 46 3.982 -8.319 2.027
313 2HG2 ILE 46 HG22 ILE 46 4.974 -7.031 1.343
314 3HG2 ILE 46 HG23 ILE 46 4.072 -8.110 0.279
315 1HD1 ILE 46 HD11 ILE 46 3.464 -6.624 -1.103
316 2HD1 ILE 46 HD12 ILE 46 4.796 -5.493 -0.867
317 3HD1 ILE 46 HD13 ILE 46 3.258 -4.922 -1.513
318 H CYS 47 HN CYS 47 0.677 -7.679 2.881
319 HA CYS 47 HA CYS 47 1.177 -10.541 3.056
320 1HB CYS 47 HB2 CYS 47 -0.485 -8.595 4.688
321 2HB CYS 47 HB1 CYS 47 -0.097 -10.241 5.188
322 H LEU 48 HN LEU 48 -0.516 -12.176 3.216
323 HA LEU 48 HA LEU 48 -2.932 -11.499 1.579
324 1HB LEU 48 HB2 LEU 48 -1.270 -13.984 2.028
325 2HB LEU 48 HB1 LEU 48 -2.865 -14.065 1.280
326 HG LEU 48 HG LEU 48 -0.874 -12.079 0.240
327 1HD1 LEU 48 HD11 LEU 48 -0.910 -14.699 -1.118
328 2HD1 LEU 48 HD12 LEU 48 -0.131 -14.709 0.464
329 3HD1 LEU 48 HD13 LEU 48 0.445 -13.617 -0.797
330 1HD2 LEU 48 HD21 LEU 48 -3.022 -13.783 -1.061
331 2HD2 LEU 48 HD22 LEU 48 -2.103 -12.498 -1.845
332 3HD2 LEU 48 HD23 LEU 48 -3.231 -12.110 -0.547
Start of MODEL 2
1 1H GLY 1 HT1 GLY 1 2.209 2.495 23.867
2 2H GLY 1 HT2 GLY 1 3.616 1.850 24.567
3 3H GLY 1 HT3 GLY 1 2.397 2.501 25.553
4 1HA GLY 1 HA2 GLY 1 2.646 -0.130 24.462
5 2HA GLY 1 HA1 GLY 1 1.612 0.448 25.771
6 H SER 2 HN SER 2 0.256 2.481 24.234
7 HA SER 2 HA SER 2 -1.721 0.778 22.891
8 1HB SER 2 HB2 SER 2 -2.542 2.547 24.253
9 2HB SER 2 HB1 SER 2 -1.415 3.711 23.557
10 HG SER 2 HG SER 2 -3.563 2.418 22.214
11 H ALA 3 HN ALA 3 -2.572 1.626 20.682
12 HA ALA 3 HA ALA 3 -0.229 1.938 18.874
13 1HB ALA 3 HB1 ALA 3 -3.003 1.551 17.872
14 2HB ALA 3 HB2 ALA 3 -2.340 0.249 18.858
15 3HB ALA 3 HB3 ALA 3 -1.513 0.748 17.382
16 H MET 4 HN MET 4 0.238 4.002 18.244
17 HA MET 4 HA MET 4 -2.002 5.987 18.059
18 1HB MET 4 HB2 MET 4 -0.266 7.641 18.455
19 2HB MET 4 HB1 MET 4 -0.069 6.356 19.649
20 1HG MET 4 HG2 MET 4 1.508 5.329 17.767
21 2HG MET 4 HG1 MET 4 1.633 7.020 17.281
22 1HE MET 4 HE1 MET 4 3.856 6.259 17.454
23 2HE MET 4 HE2 MET 4 4.785 5.872 18.900
24 3HE MET 4 HE3 MET 4 4.561 7.555 18.430
25 H GLY 5 HN GLY 5 -0.721 3.896 16.063
26 1HA GLY 5 HA2 GLY 5 -1.347 4.954 13.632
27 2HA GLY 5 HA1 GLY 5 0.250 5.650 13.918
28 H CYS 6 HN CYS 6 -0.897 3.416 12.072
29 HA CYS 6 HA CYS 6 0.122 0.886 12.707
30 1HB CYS 6 HB2 CYS 6 0.446 0.767 10.152
31 2HB CYS 6 HB1 CYS 6 -1.164 1.198 10.729
32 H ARG 7 HN ARG 7 1.899 3.806 12.075
33 HA ARG 7 HA ARG 7 4.357 2.853 11.076
34 1HB ARG 7 HB2 ARG 7 3.847 4.983 13.179
35 2HB ARG 7 HB1 ARG 7 5.256 4.885 12.124
36 1HG ARG 7 HG2 ARG 7 3.366 4.845 10.234
37 2HG ARG 7 HG1 ARG 7 2.460 5.705 11.480
38 1HD ARG 7 HD2 ARG 7 5.089 6.823 11.422
39 2HD ARG 7 HD1 ARG 7 4.487 6.760 9.754
40 HE ARG 7 HE ARG 7 3.498 8.544 11.730
41 1HH1 ARG 7 HH11 ARG 7 2.838 7.493 8.683
42 2HH1 ARG 7 HH12 ARG 7 1.120 7.694 8.759
43 1HH2 ARG 7 HH21 ARG 7 1.073 8.249 12.183
44 2HH2 ARG 7 HH22 ARG 7 0.120 8.123 10.742
45 H HIS 8 HN HIS 8 2.884 2.257 14.158
46 HA HIS 8 HA HIS 8 5.489 1.397 15.330
47 1HB HIS 8 HB2 HIS 8 4.562 2.041 17.315
48 2HB HIS 8 HB1 HIS 8 3.393 2.881 16.303
49 HD1 HIS 8 HD1 HIS 8 3.665 0.259 18.835
50 HD2 HIS 8 HD2 HIS 8 0.955 1.237 15.823
51 HE1 HIS 8 HE1 HIS 8 1.534 -1.008 19.351
52 H PHE 9 HN PHE 9 2.583 0.144 13.922
53 HA PHE 9 HA PHE 9 2.137 -2.327 15.097
54 1HB PHE 9 HB2 PHE 9 2.274 -1.421 12.214
55 2HB PHE 9 HB1 PHE 9 1.744 -3.044 12.641
56 HD1 PHE 9 HD1 PHE 9 -0.240 -1.727 11.249
57 HD2 PHE 9 HD2 PHE 9 0.793 -1.138 15.378
58 HE1 PHE 9 HE1 PHE 9 -2.522 -0.871 11.696
59 HE2 PHE 9 HE2 PHE 9 -1.489 -0.284 15.822
60 HZ PHE 9 HZ PHE 9 -3.146 -0.148 13.984
61 H GLN 10 HN GLN 10 3.043 -4.456 14.728
62 HA GLN 10 HA GLN 10 5.930 -4.536 14.688
63 1HB GLN 10 HB2 GLN 10 4.694 -6.137 15.972
64 2HB GLN 10 HB1 GLN 10 3.711 -6.594 14.580
65 1HG GLN 10 HG2 GLN 10 5.194 -8.224 14.127
66 2HG GLN 10 HG1 GLN 10 6.405 -6.983 13.805
67 1HE2 GLN 10 HE21 GLN 10 8.050 -6.638 15.391
68 2HE2 GLN 10 HE22 GLN 10 8.165 -7.551 16.816
69 H SER 11 HN SER 11 4.135 -6.777 12.658
70 HA SER 11 HA SER 11 5.986 -6.204 10.417
71 1HB SER 11 HB2 SER 11 4.044 -8.354 11.213
72 2HB SER 11 HB1 SER 11 4.603 -8.266 9.546
73 HG SER 11 HG SER 11 5.934 -8.996 11.843
74 H CYS 12 HN CYS 12 4.507 -6.806 8.217
75 HA CYS 12 HA CYS 12 2.926 -4.398 7.788
76 1HB CYS 12 HB2 CYS 12 2.731 -5.351 5.522
77 2HB CYS 12 HB1 CYS 12 4.390 -5.495 6.100
78 H SER 13 HN SER 13 2.202 -7.372 9.199
79 HA SER 13 HA SER 13 -0.345 -8.059 8.165
80 1HB SER 13 HB2 SER 13 1.326 -9.040 10.019
81 2HB SER 13 HB1 SER 13 0.199 -8.224 11.099
82 HG SER 13 HG SER 13 -0.444 -10.120 9.078
83 H GLN 14 HN GLN 14 0.288 -6.145 11.142
84 HA GLN 14 HA GLN 14 -2.438 -5.220 11.358
85 1HB GLN 14 HB2 GLN 14 -0.519 -5.440 13.096
86 2HB GLN 14 HB1 GLN 14 0.006 -3.866 12.498
87 1HG GLN 14 HG2 GLN 14 -1.452 -3.015 14.014
88 2HG GLN 14 HG1 GLN 14 -2.696 -3.473 12.849
89 1HE2 GLN 14 HE21 GLN 14 -4.348 -4.263 14.218
90 2HE2 GLN 14 HE22 GLN 14 -4.128 -5.523 15.334
91 H CYS 15 HN CYS 15 0.496 -3.882 9.884
92 HA CYS 15 HA CYS 15 -0.293 -1.215 9.451
93 1HB CYS 15 HB2 CYS 15 1.519 -3.221 8.246
94 2HB CYS 15 HB1 CYS 15 1.104 -1.867 7.194
95 H LEU 16 HN LEU 16 -1.124 -4.137 7.605
96 HA LEU 16 HA LEU 16 -2.881 -2.485 5.843
97 1HB LEU 16 HB2 LEU 16 -1.480 -5.139 5.666
98 2HB LEU 16 HB1 LEU 16 -2.866 -4.818 4.622
99 HG LEU 16 HG LEU 16 -1.751 -2.726 3.844
100 1HD1 LEU 16 HD11 LEU 16 -0.211 -1.970 5.361
101 2HD1 LEU 16 HD12 LEU 16 0.888 -2.972 4.412
102 3HD1 LEU 16 HD13 LEU 16 0.198 -3.596 5.910
103 1HD2 LEU 16 HD21 LEU 16 -0.020 -5.201 3.541
104 2HD2 LEU 16 HD22 LEU 16 -0.094 -3.833 2.430
105 3HD2 LEU 16 HD23 LEU 16 -1.493 -4.890 2.620
106 H SER 17 HN SER 17 -3.095 -4.297 8.652
107 HA SER 17 HA SER 17 -5.728 -5.523 8.012
108 1HB SER 17 HB2 SER 17 -3.906 -6.698 9.293
109 2HB SER 17 HB1 SER 17 -4.108 -5.508 10.576
110 HG SER 17 HG SER 17 -6.452 -6.207 10.351
111 H ALA 18 HN ALA 18 -4.491 -2.596 9.235
112 HA ALA 18 HA ALA 18 -7.193 -1.876 10.279
113 1HB ALA 18 HB1 ALA 18 -6.383 -1.413 12.387
114 2HB ALA 18 HB2 ALA 18 -4.794 -0.946 11.781
115 3HB ALA 18 HB3 ALA 18 -5.212 -2.653 11.938
116 HA PRO 19 HA PRO 19 -5.032 1.316 7.645
117 1HB PRO 19 HB2 PRO 19 -6.814 1.317 5.565
118 2HB PRO 19 HB1 PRO 19 -5.376 0.281 5.635
119 1HG PRO 19 HG2 PRO 19 -8.214 -0.394 6.127
120 2HG PRO 19 HG1 PRO 19 -6.918 -1.378 5.442
121 1HD PRO 19 HD2 PRO 19 -7.855 -1.588 8.035
122 2HD PRO 19 HD1 PRO 19 -6.271 -2.159 7.471
123 HA PRO 20 HA PRO 20 -9.214 3.626 8.087
124 1HB PRO 20 HB2 PRO 20 -11.019 2.589 9.857
125 2HB PRO 20 HB1 PRO 20 -11.041 2.208 8.124
126 1HG PRO 20 HG2 PRO 20 -10.043 0.595 10.404
127 2HG PRO 20 HG1 PRO 20 -10.842 0.076 8.914
128 1HD PRO 20 HD2 PRO 20 -8.142 -0.096 9.378
129 2HD PRO 20 HD1 PRO 20 -8.884 -0.054 7.769
130 H PHE 21 HN PHE 21 -7.782 1.851 10.768
131 HA PHE 21 HA PHE 21 -8.166 4.160 12.608
132 1HB PHE 21 HB2 PHE 21 -6.895 1.444 13.068
133 2HB PHE 21 HB1 PHE 21 -7.491 2.559 14.298
134 HD1 PHE 21 HD1 PHE 21 -8.297 -0.452 13.321
135 HD2 PHE 21 HD2 PHE 21 -10.030 3.468 13.034
136 HE1 PHE 21 HE1 PHE 21 -10.555 -1.462 13.144
137 HE2 PHE 21 HE2 PHE 21 -12.287 2.457 12.856
138 HZ PHE 21 HZ PHE 21 -12.550 -0.008 12.912
139 H VAL 22 HN VAL 22 -6.071 3.529 10.218
140 HA VAL 22 HA VAL 22 -3.807 4.838 11.659
141 HB VAL 22 HB VAL 22 -2.279 3.189 10.835
142 1HG1 VAL 22 HG11 VAL 22 -3.501 2.430 12.789
143 2HG1 VAL 22 HG12 VAL 22 -3.277 1.059 11.704
144 3HG1 VAL 22 HG13 VAL 22 -4.839 1.873 11.783
145 1HG2 VAL 22 HG21 VAL 22 -4.593 2.451 9.064
146 2HG2 VAL 22 HG22 VAL 22 -3.358 1.248 9.432
147 3HG2 VAL 22 HG23 VAL 22 -2.913 2.751 8.623
148 H GLN 23 HN GLN 23 -2.014 5.062 9.603
149 HA GLN 23 HA GLN 23 -3.488 6.068 7.219
150 1HB GLN 23 HB2 GLN 23 -3.497 8.015 8.534
151 2HB GLN 23 HB1 GLN 23 -1.925 7.654 9.245
152 1HG GLN 23 HG2 GLN 23 -0.819 8.716 7.581
153 2HG GLN 23 HG1 GLN 23 -1.793 7.933 6.335
154 1HE2 GLN 23 HE21 GLN 23 -4.025 8.911 5.967
155 2HE2 GLN 23 HE22 GLN 23 -4.226 10.576 6.226
156 H CYS 24 HN CYS 24 -0.364 5.366 8.783
157 HA CYS 24 HA CYS 24 1.273 5.780 6.470
158 1HB CYS 24 HB2 CYS 24 2.962 4.846 7.814
159 2HB CYS 24 HB1 CYS 24 1.820 5.463 9.003
160 H GLY 25 HN GLY 25 2.513 3.878 5.458
161 1HA GLY 25 HA2 GLY 25 0.903 1.422 5.080
162 2HA GLY 25 HA1 GLY 25 1.187 2.419 3.649
163 H TRP 26 HN TRP 26 2.308 0.080 3.252
164 HA TRP 26 HA TRP 26 5.017 -0.017 4.438
165 1HB TRP 26 HB2 TRP 26 3.326 -1.947 3.828
166 2HB TRP 26 HB1 TRP 26 3.997 -1.762 2.208
167 HD1 TRP 26 HD1 TRP 26 6.503 -2.452 1.814
168 HE1 TRP 26 HE1 TRP 26 8.194 -3.789 3.227
169 HE3 TRP 26 HE3 TRP 26 4.075 -2.480 6.307
170 HZ2 TRP 26 HZ2 TRP 26 8.487 -4.735 5.905
171 HZ3 TRP 26 HZ3 TRP 26 5.081 -3.609 8.272
172 HH2 TRP 26 HH2 TRP 26 7.280 -4.738 8.078
173 H CYS 27 HN CYS 27 6.892 0.552 3.305
174 HA CYS 27 HA CYS 27 6.557 1.458 0.471
175 1HB CYS 27 HB2 CYS 27 6.562 3.119 2.617
176 2HB CYS 27 HB1 CYS 27 8.290 3.052 2.271
177 H HIS 28 HN HIS 28 7.837 -0.179 -0.427
178 HA HIS 28 HA HIS 28 9.797 -1.395 -0.946
179 1HB HIS 28 HB2 HIS 28 10.048 1.272 -1.272
180 2HB HIS 28 HB1 HIS 28 11.379 0.989 -0.151
181 HD1 HIS 28 HD1 HIS 28 10.893 1.205 -3.607
182 HD2 HIS 28 HD2 HIS 28 12.821 -1.609 -1.212
183 HE1 HIS 28 HE1 HIS 28 12.491 -0.047 -5.120
184 H ASP 29 HN ASP 29 9.090 -1.127 2.179
185 HA ASP 29 HA ASP 29 11.115 -2.855 3.115
186 1HB ASP 29 HB2 ASP 29 12.358 -0.972 4.485
187 2HB ASP 29 HB1 ASP 29 12.821 -1.311 2.818
188 H LYS 30 HN LYS 30 10.434 0.100 4.948
189 HA LYS 30 HA LYS 30 8.977 -1.577 6.924
190 1HB LYS 30 HB2 LYS 30 9.711 0.018 8.496
191 2HB LYS 30 HB1 LYS 30 11.042 -0.052 7.343
192 1HG LYS 30 HG2 LYS 30 9.863 1.891 6.130
193 2HG LYS 30 HG1 LYS 30 8.901 2.059 7.599
194 1HD LYS 30 HD2 LYS 30 11.921 2.229 7.388
195 2HD LYS 30 HD1 LYS 30 10.813 3.553 7.754
196 1HE LYS 30 HE2 LYS 30 10.049 2.124 9.770
197 2HE LYS 30 HE1 LYS 30 11.525 1.179 9.486
198 1HZ LYS 30 HZ1 LYS 30 12.866 3.062 9.741
199 2HZ LYS 30 HZ2 LYS 30 11.736 3.191 11.003
200 3HZ LYS 30 HZ3 LYS 30 11.561 4.136 9.601
201 H CYS 31 HN CYS 31 7.278 -0.089 8.185
202 HA CYS 31 HA CYS 31 5.225 0.619 6.200
203 1HB CYS 31 HB2 CYS 31 5.255 -0.592 8.636
204 2HB CYS 31 HB1 CYS 31 4.804 1.048 9.100
205 H VAL 32 HN VAL 32 5.561 2.648 5.311
206 HA VAL 32 HA VAL 32 5.576 4.957 7.200
207 HB VAL 32 HB VAL 32 7.417 5.959 5.999
208 1HG1 VAL 32 HG11 VAL 32 8.295 3.094 6.134
209 2HG1 VAL 32 HG12 VAL 32 7.753 3.891 7.611
210 3HG1 VAL 32 HG13 VAL 32 9.123 4.541 6.708
211 1HG2 VAL 32 HG21 VAL 32 8.280 5.169 3.955
212 2HG2 VAL 32 HG22 VAL 32 6.546 4.917 3.758
213 3HG2 VAL 32 HG23 VAL 32 7.592 3.562 4.179
214 H ARG 33 HN ARG 33 5.092 7.045 5.830
215 HA ARG 33 HA ARG 33 3.066 6.313 3.741
216 1HB ARG 33 HB2 ARG 33 2.532 7.418 6.073
217 2HB ARG 33 HB1 ARG 33 3.092 8.892 5.283
218 1HG ARG 33 HG2 ARG 33 1.426 7.762 3.379
219 2HG ARG 33 HG1 ARG 33 0.597 7.410 4.896
220 1HD ARG 33 HD2 ARG 33 0.034 9.593 5.205
221 2HD ARG 33 HD1 ARG 33 1.664 10.150 4.774
222 HE ARG 33 HE ARG 33 0.724 10.630 2.665
223 1HH1 ARG 33 HH11 ARG 33 -2.065 9.822 3.497
224 2HH1 ARG 33 HH12 ARG 33 -2.422 8.568 2.357
225 1HH2 ARG 33 HH21 ARG 33 0.884 8.131 1.403
226 2HH2 ARG 33 HH22 ARG 33 -0.752 7.611 1.170
227 H SER 34 HN SER 34 2.746 8.063 2.070
228 HA SER 34 HA SER 34 4.916 8.624 0.485
229 1HB SER 34 HB2 SER 34 2.571 10.459 1.067
230 2HB SER 34 HB1 SER 34 3.552 10.486 -0.396
231 HG SER 34 HG SER 34 2.910 8.224 -0.631
232 H GLU 35 HN GLU 35 3.982 10.415 3.395
233 HA GLU 35 HA GLU 35 5.725 12.673 3.009
234 1HB GLU 35 HB2 GLU 35 4.102 11.409 5.145
235 2HB GLU 35 HB1 GLU 35 5.416 12.445 5.705
236 1HG GLU 35 HG2 GLU 35 4.499 14.113 3.892
237 2HG GLU 35 HG1 GLU 35 3.020 13.163 4.042
238 H GLU 36 HN GLU 36 6.281 9.408 4.145
239 HA GLU 36 HA GLU 36 9.082 10.186 4.896
240 1HB GLU 36 HB2 GLU 36 7.504 9.357 6.690
241 2HB GLU 36 HB1 GLU 36 7.446 7.815 5.835
242 1HG GLU 36 HG2 GLU 36 9.129 7.692 7.598
243 2HG GLU 36 HG1 GLU 36 9.928 7.657 6.027
244 H CYS 37 HN CYS 37 7.282 8.657 2.528
245 HA CYS 37 HA CYS 37 8.874 6.293 2.032
246 1HB CYS 37 HB2 CYS 37 6.832 7.966 0.614
247 2HB CYS 37 HB1 CYS 37 7.735 6.776 -0.323
248 H LEU 38 HN LEU 38 11.075 7.338 2.229
249 HA LEU 38 HA LEU 38 12.065 9.381 0.560
250 1HB LEU 38 HB2 LEU 38 14.185 8.555 1.209
251 2HB LEU 38 HB1 LEU 38 13.116 8.043 2.513
252 HG LEU 38 HG LEU 38 12.892 5.950 0.743
253 1HD1 LEU 38 HD11 LEU 38 15.482 7.335 0.334
254 2HD1 LEU 38 HD12 LEU 38 14.602 6.252 -0.744
255 3HD1 LEU 38 HD13 LEU 38 15.581 5.590 0.564
256 1HD2 LEU 38 HD21 LEU 38 14.901 5.103 2.379
257 2HD2 LEU 38 HD22 LEU 38 13.217 5.234 2.889
258 3HD2 LEU 38 HD23 LEU 38 14.352 6.534 3.254
259 H SER 39 HN SER 39 11.069 6.163 -0.256
260 HA SER 39 HA SER 39 12.626 5.833 -2.674
261 1HB SER 39 HB2 SER 39 10.163 4.626 -1.434
262 2HB SER 39 HB1 SER 39 10.622 4.182 -3.077
263 HG SER 39 HG SER 39 11.558 3.163 -0.894
264 H GLY 40 HN GLY 40 9.206 6.768 -2.114
265 1HA GLY 40 HA2 GLY 40 8.486 8.818 -3.444
266 2HA GLY 40 HA1 GLY 40 9.234 8.024 -4.830
267 H THR 41 HN THR 41 8.131 5.409 -3.467
268 HA THR 41 HA THR 41 5.371 5.691 -4.614
269 HB THR 41 HB THR 41 6.935 4.352 -5.969
270 HG1 THR 41 HG1 THR 41 4.620 3.690 -5.328
271 1HG2 THR 41 HG21 THR 41 7.218 2.088 -4.213
272 2HG2 THR 41 HG22 THR 41 7.858 3.528 -3.422
273 3HG2 THR 41 HG23 THR 41 8.478 3.038 -4.999
274 H TRP 42 HN TRP 42 3.808 5.433 -3.091
275 HA TRP 42 HA TRP 42 4.455 4.062 -0.525
276 1HB TRP 42 HB2 TRP 42 3.481 6.362 -0.616
277 2HB TRP 42 HB1 TRP 42 2.069 5.703 -1.439
278 HD1 TRP 42 HD1 TRP 42 4.023 4.922 1.816
279 HE1 TRP 42 HE1 TRP 42 2.310 4.398 3.666
280 HE3 TRP 42 HE3 TRP 42 -0.308 5.362 -0.850
281 HZ2 TRP 42 HZ2 TRP 42 -0.527 4.188 3.975
282 HZ3 TRP 42 HZ3 TRP 42 -2.501 4.994 0.247
283 HH2 TRP 42 HH2 TRP 42 -2.615 4.408 2.653
284 H THR 43 HN THR 43 3.630 2.009 -0.124
285 HA THR 43 HA THR 43 1.323 1.090 -1.810
286 HB THR 43 HB THR 43 3.371 0.205 -2.754
287 HG1 THR 43 HG1 THR 43 1.977 -1.415 -2.807
288 1HG2 THR 43 HG21 THR 43 4.811 0.593 -0.793
289 2HG2 THR 43 HG22 THR 43 4.975 -1.062 -1.378
290 3HG2 THR 43 HG23 THR 43 4.009 -0.727 0.058
291 H GLN 44 HN GLN 44 -0.219 -0.096 -0.662
292 HA GLN 44 HA GLN 44 0.467 -0.855 2.157
293 1HB GLN 44 HB2 GLN 44 -1.881 -0.044 2.682
294 2HB GLN 44 HB1 GLN 44 -0.754 1.226 2.204
295 1HG GLN 44 HG2 GLN 44 -1.803 1.598 0.199
296 2HG GLN 44 HG1 GLN 44 -2.277 -0.090 0.014
297 1HE2 GLN 44 HE21 GLN 44 -3.701 -0.559 2.383
298 2HE2 GLN 44 HE22 GLN 44 -5.061 0.455 2.444
299 H GLN 45 HN GLN 45 0.407 -2.603 -0.164
300 HA GLN 45 HA GLN 45 -1.756 -4.449 0.733
301 1HB GLN 45 HB2 GLN 45 -2.230 -2.878 -1.361
302 2HB GLN 45 HB1 GLN 45 -1.253 -4.084 -2.201
303 1HG GLN 45 HG2 GLN 45 -3.373 -5.016 -2.417
304 2HG GLN 45 HG1 GLN 45 -2.819 -5.790 -0.933
305 1HE2 GLN 45 HE21 GLN 45 -5.477 -5.753 -0.969
306 2HE2 GLN 45 HE22 GLN 45 -6.138 -4.486 -0.055
307 H ILE 46 HN ILE 46 -0.372 -6.053 1.477
308 HA ILE 46 HA ILE 46 1.324 -7.410 -0.545
309 HB ILE 46 HB ILE 46 2.319 -6.338 2.118
310 1HG1 ILE 46 HG12 ILE 46 2.893 -5.544 -0.753
311 2HG1 ILE 46 HG11 ILE 46 2.098 -4.556 0.472
312 1HG2 ILE 46 HG21 ILE 46 3.437 -8.409 1.654
313 2HG2 ILE 46 HG22 ILE 46 4.545 -7.127 1.170
314 3HG2 ILE 46 HG23 ILE 46 3.622 -8.000 -0.052
315 1HD1 ILE 46 HD11 ILE 46 4.623 -4.142 0.036
316 2HD1 ILE 46 HD12 ILE 46 4.873 -5.643 0.928
317 3HD1 ILE 46 HD13 ILE 46 4.084 -4.274 1.711
318 H CYS 47 HN CYS 47 1.183 -7.542 3.011
319 HA CYS 47 HA CYS 47 0.548 -10.445 2.840
320 1HB CYS 47 HB2 CYS 47 1.212 -10.358 5.248
321 2HB CYS 47 HB1 CYS 47 2.457 -9.698 4.189
322 H LEU 48 HN LEU 48 -1.531 -11.111 3.175
323 HA LEU 48 HA LEU 48 -3.627 -9.232 3.929
324 1HB LEU 48 HB2 LEU 48 -3.338 -12.099 3.135
325 2HB LEU 48 HB1 LEU 48 -4.834 -11.624 3.940
326 HG LEU 48 HG LEU 48 -4.970 -9.706 2.256
327 1HD1 LEU 48 HD11 LEU 48 -3.716 -10.173 0.117
328 2HD1 LEU 48 HD12 LEU 48 -2.788 -11.388 0.994
329 3HD1 LEU 48 HD13 LEU 48 -2.686 -9.691 1.465
330 1HD2 LEU 48 HD21 LEU 48 -5.306 -12.623 1.685
331 2HD2 LEU 48 HD22 LEU 48 -5.503 -11.498 0.341
332 3HD2 LEU 48 HD23 LEU 48 -6.524 -11.350 1.771
Start of MODEL 3
1 1H GLY 1 HT1 GLY 1 -9.295 3.209 14.678
2 2H GLY 1 HT2 GLY 1 -10.790 2.661 15.269
3 3H GLY 1 HT3 GLY 1 -9.402 1.698 15.443
4 1HA GLY 1 HA2 GLY 1 -9.320 4.376 16.602
5 2HA GLY 1 HA1 GLY 1 -10.323 3.170 17.410
6 H SER 2 HN SER 2 -9.095 0.905 17.489
7 HA SER 2 HA SER 2 -6.807 1.254 19.189
8 1HB SER 2 HB2 SER 2 -8.608 -0.655 18.860
9 2HB SER 2 HB1 SER 2 -7.423 -1.295 17.725
10 HG SER 2 HG SER 2 -7.006 -0.638 20.460
11 H ALA 3 HN ALA 3 -5.321 2.530 17.838
12 HA ALA 3 HA ALA 3 -3.333 0.967 16.483
13 1HB ALA 3 HB1 ALA 3 -5.395 2.428 14.806
14 2HB ALA 3 HB2 ALA 3 -5.039 0.700 14.788
15 3HB ALA 3 HB3 ALA 3 -3.858 1.850 14.164
16 H MET 4 HN MET 4 -4.931 4.150 16.614
17 HA MET 4 HA MET 4 -3.996 6.330 16.622
18 1HB MET 4 HB2 MET 4 -2.126 4.656 18.327
19 2HB MET 4 HB1 MET 4 -2.117 6.420 18.310
20 1HG MET 4 HG2 MET 4 -4.059 6.573 19.497
21 2HG MET 4 HG1 MET 4 -4.775 5.177 18.693
22 1HE MET 4 HE1 MET 4 -4.719 2.520 20.991
23 2HE MET 4 HE2 MET 4 -3.820 2.435 19.479
24 3HE MET 4 HE3 MET 4 -5.304 3.381 19.560
25 H GLY 5 HN GLY 5 -3.086 4.526 14.401
26 1HA GLY 5 HA2 GLY 5 -1.652 5.449 12.607
27 2HA GLY 5 HA1 GLY 5 -0.493 5.908 13.854
28 H CYS 6 HN CYS 6 -0.711 3.861 11.427
29 HA CYS 6 HA CYS 6 0.077 1.353 12.753
30 1HB CYS 6 HB2 CYS 6 0.380 0.645 10.332
31 2HB CYS 6 HB1 CYS 6 -1.235 1.221 10.734
32 H ARG 7 HN ARG 7 1.652 4.209 12.198
33 HA ARG 7 HA ARG 7 4.153 3.476 11.053
34 1HB ARG 7 HB2 ARG 7 3.047 5.756 11.747
35 2HB ARG 7 HB1 ARG 7 3.861 5.470 13.286
36 1HG ARG 7 HG2 ARG 7 5.328 6.791 11.866
37 2HG ARG 7 HG1 ARG 7 6.010 5.173 12.033
38 1HD ARG 7 HD2 ARG 7 5.894 4.846 9.795
39 2HD ARG 7 HD1 ARG 7 4.171 5.268 9.787
40 HE ARG 7 HE ARG 7 6.408 7.227 9.537
41 1HH1 ARG 7 HH11 ARG 7 3.260 7.254 10.596
42 2HH1 ARG 7 HH12 ARG 7 2.664 8.359 9.403
43 1HH2 ARG 7 HH21 ARG 7 5.567 8.295 7.508
44 2HH2 ARG 7 HH22 ARG 7 3.970 8.949 7.656
45 H HIS 8 HN HIS 8 2.804 2.837 14.222
46 HA HIS 8 HA HIS 8 5.486 1.973 15.210
47 1HB HIS 8 HB2 HIS 8 4.316 1.983 17.426
48 2HB HIS 8 HB1 HIS 8 4.285 3.547 16.619
49 HD1 HIS 8 HD1 HIS 8 2.114 4.198 17.922
50 HD2 HIS 8 HD2 HIS 8 1.661 0.880 15.441
51 HE1 HIS 8 HE1 HIS 8 -0.374 3.767 17.744
52 H PHE 9 HN PHE 9 2.903 0.656 13.621
53 HA PHE 9 HA PHE 9 2.214 -1.713 15.008
54 1HB PHE 9 HB2 PHE 9 2.449 -0.838 12.141
55 2HB PHE 9 HB1 PHE 9 2.047 -2.515 12.489
56 HD1 PHE 9 HD1 PHE 9 0.780 -0.754 15.223
57 HD2 PHE 9 HD2 PHE 9 0.035 -1.375 11.037
58 HE1 PHE 9 HE1 PHE 9 -1.590 -0.129 15.551
59 HE2 PHE 9 HE2 PHE 9 -2.337 -0.743 11.368
60 HZ PHE 9 HZ PHE 9 -3.151 -0.120 13.626
61 H GLN 10 HN GLN 10 3.002 -3.956 14.413
62 HA GLN 10 HA GLN 10 5.886 -4.133 14.758
63 1HB GLN 10 HB2 GLN 10 3.557 -6.014 14.435
64 2HB GLN 10 HB1 GLN 10 5.203 -6.645 14.390
65 1HG GLN 10 HG2 GLN 10 4.384 -6.755 16.680
66 2HG GLN 10 HG1 GLN 10 5.642 -5.522 16.583
67 1HE2 GLN 10 HE21 GLN 10 4.953 -3.943 18.068
68 2HE2 GLN 10 HE22 GLN 10 3.416 -3.223 18.055
69 H SER 11 HN SER 11 4.237 -6.200 12.439
70 HA SER 11 HA SER 11 6.285 -5.478 10.400
71 1HB SER 11 HB2 SER 11 4.233 -7.704 10.378
72 2HB SER 11 HB1 SER 11 5.737 -7.622 9.466
73 HG SER 11 HG SER 11 6.429 -8.735 11.133
74 H CYS 12 HN CYS 12 4.440 -6.600 8.305
75 HA CYS 12 HA CYS 12 2.980 -4.078 7.738
76 1HB CYS 12 HB2 CYS 12 2.891 -5.021 5.466
77 2HB CYS 12 HB1 CYS 12 4.536 -5.122 6.095
78 H SER 13 HN SER 13 2.331 -7.057 9.161
79 HA SER 13 HA SER 13 -0.169 -7.843 8.060
80 1HB SER 13 HB2 SER 13 1.343 -8.138 10.607
81 2HB SER 13 HB1 SER 13 -0.375 -8.520 10.670
82 HG SER 13 HG SER 13 1.707 -9.762 9.300
83 H GLN 14 HN GLN 14 0.352 -5.932 11.056
84 HA GLN 14 HA GLN 14 -2.401 -5.107 11.270
85 1HB GLN 14 HB2 GLN 14 -0.464 -5.236 12.998
86 2HB GLN 14 HB1 GLN 14 -0.008 -3.645 12.387
87 1HG GLN 14 HG2 GLN 14 -1.596 -2.696 13.663
88 2HG GLN 14 HG1 GLN 14 -2.831 -3.640 12.830
89 1HE2 GLN 14 HE21 GLN 14 -4.032 -4.041 14.822
90 2HE2 GLN 14 HE22 GLN 14 -3.441 -5.092 16.016
91 H CYS 15 HN CYS 15 0.455 -3.684 9.734
92 HA CYS 15 HA CYS 15 -0.440 -1.043 9.295
93 1HB CYS 15 HB2 CYS 15 1.317 -2.999 7.827
94 2HB CYS 15 HB1 CYS 15 1.032 -1.393 7.155
95 H LEU 16 HN LEU 16 -1.142 -4.010 7.459
96 HA LEU 16 HA LEU 16 -2.953 -2.464 5.660
97 1HB LEU 16 HB2 LEU 16 -1.531 -5.120 5.591
98 2HB LEU 16 HB1 LEU 16 -2.870 -4.798 4.488
99 HG LEU 16 HG LEU 16 -1.733 -2.847 3.593
100 1HD1 LEU 16 HD11 LEU 16 0.167 -3.400 5.861
101 2HD1 LEU 16 HD12 LEU 16 -0.594 -1.877 5.399
102 3HD1 LEU 16 HD13 LEU 16 0.722 -2.537 4.427
103 1HD2 LEU 16 HD21 LEU 16 0.289 -5.095 3.811
104 2HD2 LEU 16 HD22 LEU 16 0.123 -3.934 2.494
105 3HD2 LEU 16 HD23 LEU 16 -1.121 -5.157 2.753
106 H SER 17 HN SER 17 -3.051 -4.440 8.437
107 HA SER 17 HA SER 17 -5.663 -5.677 7.859
108 1HB SER 17 HB2 SER 17 -3.785 -6.690 9.224
109 2HB SER 17 HB1 SER 17 -4.104 -5.472 10.455
110 HG SER 17 HG SER 17 -5.795 -7.536 9.505
111 H ALA 18 HN ALA 18 -4.510 -2.683 9.107
112 HA ALA 18 HA ALA 18 -7.288 -1.968 9.924
113 1HB ALA 18 HB1 ALA 18 -5.728 -0.740 11.830
114 2HB ALA 18 HB2 ALA 18 -4.875 -2.264 11.592
115 3HB ALA 18 HB3 ALA 18 -6.573 -2.269 12.066
116 HA PRO 19 HA PRO 19 -4.931 1.238 7.488
117 1HB PRO 19 HB2 PRO 19 -6.564 1.266 5.291
118 2HB PRO 19 HB1 PRO 19 -5.141 0.219 5.450
119 1HG PRO 19 HG2 PRO 19 -8.013 -0.437 5.748
120 2HG PRO 19 HG1 PRO 19 -6.683 -1.425 5.135
121 1HD PRO 19 HD2 PRO 19 -7.779 -1.665 7.659
122 2HD PRO 19 HD1 PRO 19 -6.159 -2.227 7.195
123 HA PRO 20 HA PRO 20 -9.129 3.560 7.655
124 1HB PRO 20 HB2 PRO 20 -11.063 2.509 9.271
125 2HB PRO 20 HB1 PRO 20 -10.951 2.138 7.540
126 1HG PRO 20 HG2 PRO 20 -10.126 0.516 9.883
127 2HG PRO 20 HG1 PRO 20 -10.815 0.001 8.336
128 1HD PRO 20 HD2 PRO 20 -8.159 -0.175 8.994
129 2HD PRO 20 HD1 PRO 20 -8.781 -0.122 7.336
130 H PHE 21 HN PHE 21 -7.589 1.902 10.268
131 HA PHE 21 HA PHE 21 -8.275 4.091 12.189
132 1HB PHE 21 HB2 PHE 21 -6.849 1.485 12.755
133 2HB PHE 21 HB1 PHE 21 -7.767 2.487 13.877
134 HD1 PHE 21 HD1 PHE 21 -7.936 -0.563 12.494
135 HD2 PHE 21 HD2 PHE 21 -10.251 3.055 12.537
136 HE1 PHE 21 HE1 PHE 21 -9.982 -1.867 11.985
137 HE2 PHE 21 HE2 PHE 21 -12.297 1.750 12.028
138 HZ PHE 21 HZ PHE 21 -12.164 -0.710 11.751
139 H VAL 22 HN VAL 22 -5.905 3.369 9.970
140 HA VAL 22 HA VAL 22 -3.799 4.700 11.644
141 HB VAL 22 HB VAL 22 -2.192 3.219 10.562
142 1HG1 VAL 22 HG11 VAL 22 -3.640 0.962 11.173
143 2HG1 VAL 22 HG12 VAL 22 -4.503 2.208 12.074
144 3HG1 VAL 22 HG13 VAL 22 -2.781 1.956 12.350
145 1HG2 VAL 22 HG21 VAL 22 -3.129 1.368 9.081
146 2HG2 VAL 22 HG22 VAL 22 -3.124 2.981 8.368
147 3HG2 VAL 22 HG23 VAL 22 -4.622 2.305 9.008
148 H GLN 23 HN GLN 23 -1.883 5.096 9.730
149 HA GLN 23 HA GLN 23 -3.188 6.478 7.430
150 1HB GLN 23 HB2 GLN 23 -3.047 8.166 9.136
151 2HB GLN 23 HB1 GLN 23 -1.406 7.682 9.564
152 1HG GLN 23 HG2 GLN 23 -0.472 8.808 7.810
153 2HG GLN 23 HG1 GLN 23 -1.812 8.431 6.726
154 1HE2 GLN 23 HE21 GLN 23 -3.668 9.882 6.724
155 2HE2 GLN 23 HE22 GLN 23 -3.614 11.397 7.486
156 H CYS 24 HN CYS 24 -0.187 5.356 8.995
157 HA CYS 24 HA CYS 24 1.531 5.832 6.736
158 1HB CYS 24 HB2 CYS 24 3.137 4.789 8.078
159 2HB CYS 24 HB1 CYS 24 1.970 5.316 9.283
160 H GLY 25 HN GLY 25 2.683 3.829 5.688
161 1HA GLY 25 HA2 GLY 25 0.847 1.577 5.144
162 2HA GLY 25 HA1 GLY 25 1.252 2.608 3.772
163 H TRP 26 HN TRP 26 2.093 0.213 3.252
164 HA TRP 26 HA TRP 26 4.758 -0.336 4.414
165 1HB TRP 26 HB2 TRP 26 2.800 -1.938 3.656
166 2HB TRP 26 HB1 TRP 26 3.504 -1.723 2.057
167 HD1 TRP 26 HD1 TRP 26 5.335 -3.376 1.465
168 HE1 TRP 26 HE1 TRP 26 6.950 -4.894 2.785
169 HE3 TRP 26 HE3 TRP 26 4.165 -1.971 6.222
170 HZ2 TRP 26 HZ2 TRP 26 7.646 -5.440 5.506
171 HZ3 TRP 26 HZ3 TRP 26 5.313 -3.003 8.163
172 HH2 TRP 26 HH2 TRP 26 7.053 -4.734 7.810
173 H CYS 27 HN CYS 27 6.690 0.173 3.352
174 HA CYS 27 HA CYS 27 6.496 1.159 0.531
175 1HB CYS 27 HB2 CYS 27 6.684 2.730 2.800
176 2HB CYS 27 HB1 CYS 27 8.361 2.611 2.267
177 H HIS 28 HN HIS 28 7.622 -0.602 -0.324
178 HA HIS 28 HA HIS 28 9.486 -1.893 -0.935
179 1HB HIS 28 HB2 HIS 28 10.434 0.778 -0.041
180 2HB HIS 28 HB1 HIS 28 11.664 -0.456 -0.317
181 HD1 HIS 28 HD1 HIS 28 12.388 1.010 -2.441
182 HD2 HIS 28 HD2 HIS 28 8.606 -0.728 -2.680
183 HE1 HIS 28 HE1 HIS 28 11.698 1.128 -4.874
184 H ASP 29 HN ASP 29 8.874 -1.455 2.394
185 HA ASP 29 HA ASP 29 10.178 -3.816 3.196
186 1HB ASP 29 HB2 ASP 29 12.168 -2.548 4.397
187 2HB ASP 29 HB1 ASP 29 12.309 -3.010 2.702
188 H LYS 30 HN LYS 30 10.391 -0.561 4.699
189 HA LYS 30 HA LYS 30 9.195 -1.655 7.169
190 1HB LYS 30 HB2 LYS 30 11.201 0.064 6.681
191 2HB LYS 30 HB1 LYS 30 9.880 1.227 6.797
192 1HG LYS 30 HG2 LYS 30 9.281 0.398 9.006
193 2HG LYS 30 HG1 LYS 30 10.486 -0.885 8.886
194 1HD LYS 30 HD2 LYS 30 11.892 0.562 9.914
195 2HD LYS 30 HD1 LYS 30 11.967 1.393 8.362
196 1HE LYS 30 HE2 LYS 30 9.785 2.599 9.190
197 2HE LYS 30 HE1 LYS 30 10.343 2.094 10.797
198 1HZ LYS 30 HZ1 LYS 30 12.291 3.272 10.600
199 2HZ LYS 30 HZ2 LYS 30 11.223 4.301 9.772
200 3HZ LYS 30 HZ3 LYS 30 12.260 3.274 8.904
201 H CYS 31 HN CYS 31 7.469 -0.315 8.266
202 HA CYS 31 HA CYS 31 5.317 0.291 6.327
203 1HB CYS 31 HB2 CYS 31 5.155 -1.165 8.435
204 2HB CYS 31 HB1 CYS 31 5.239 0.339 9.351
205 H VAL 32 HN VAL 32 5.567 2.364 5.523
206 HA VAL 32 HA VAL 32 5.432 4.597 7.479
207 HB VAL 32 HB VAL 32 7.350 5.676 6.520
208 1HG1 VAL 32 HG11 VAL 32 9.090 4.180 7.122
209 2HG1 VAL 32 HG12 VAL 32 8.164 2.769 6.605
210 3HG1 VAL 32 HG13 VAL 32 7.701 3.642 8.066
211 1HG2 VAL 32 HG21 VAL 32 7.652 5.432 4.294
212 2HG2 VAL 32 HG22 VAL 32 6.684 3.959 4.268
213 3HG2 VAL 32 HG23 VAL 32 8.404 3.876 4.644
214 H ARG 33 HN ARG 33 5.076 6.718 6.151
215 HA ARG 33 HA ARG 33 3.236 6.078 3.874
216 1HB ARG 33 HB2 ARG 33 2.684 7.286 6.222
217 2HB ARG 33 HB1 ARG 33 3.180 8.700 5.292
218 1HG ARG 33 HG2 ARG 33 1.567 7.360 3.503
219 2HG ARG 33 HG1 ARG 33 0.759 7.055 5.041
220 1HD ARG 33 HD2 ARG 33 0.749 9.481 5.526
221 2HD ARG 33 HD1 ARG 33 1.550 9.790 3.973
222 HE ARG 33 HE ARG 33 -1.238 9.336 4.255
223 1HH1 ARG 33 HH21 ARG 33 1.437 8.939 2.180
224 2HH1 ARG 33 HH22 ARG 33 0.535 8.174 0.915
225 1HH2 ARG 33 HH11 ARG 33 -2.407 8.028 2.742
226 2HH2 ARG 33 HH12 ARG 33 -1.641 7.659 1.234
227 H SER 34 HN SER 34 3.077 8.064 2.322
228 HA SER 34 HA SER 34 5.366 8.438 0.828
229 1HB SER 34 HB2 SER 34 2.869 9.957 1.349
230 2HB SER 34 HB1 SER 34 4.145 10.842 0.520
231 HG SER 34 HG SER 34 2.736 9.668 -0.899
232 H GLU 35 HN GLU 35 4.608 9.976 3.891
233 HA GLU 35 HA GLU 35 6.512 12.141 3.712
234 1HB GLU 35 HB2 GLU 35 4.474 11.787 5.248
235 2HB GLU 35 HB1 GLU 35 5.532 10.758 6.214
236 1HG GLU 35 HG2 GLU 35 6.263 12.624 7.244
237 2HG GLU 35 HG1 GLU 35 7.036 13.073 5.724
238 H GLU 36 HN GLU 36 6.717 8.788 4.881
239 HA GLU 36 HA GLU 36 9.597 9.248 5.561
240 1HB GLU 36 HB2 GLU 36 7.364 7.651 6.617
241 2HB GLU 36 HB1 GLU 36 8.875 6.750 6.486
242 1HG GLU 36 HG2 GLU 36 9.152 9.479 7.583
243 2HG GLU 36 HG1 GLU 36 8.243 8.359 8.599
244 H CYS 37 HN CYS 37 7.704 8.077 3.057
245 HA CYS 37 HA CYS 37 9.133 5.661 2.346
246 1HB CYS 37 HB2 CYS 37 7.262 7.617 1.036
247 2HB CYS 37 HB1 CYS 37 8.042 6.376 0.053
248 H LEU 38 HN LEU 38 11.078 5.478 1.257
249 HA LEU 38 HA LEU 38 12.923 7.577 0.987
250 1HB LEU 38 HB2 LEU 38 13.447 5.177 0.909
251 2HB LEU 38 HB1 LEU 38 12.611 5.033 -0.639
252 HG LEU 38 HG LEU 38 14.540 7.182 -0.753
253 1HD1 LEU 38 HD11 LEU 38 15.664 5.830 1.020
254 2HD1 LEU 38 HD12 LEU 38 16.586 5.882 -0.481
255 3HD1 LEU 38 HD13 LEU 38 15.652 4.444 -0.070
256 1HD2 LEU 38 HD21 LEU 38 13.632 4.852 -2.271
257 2HD2 LEU 38 HD22 LEU 38 15.372 5.103 -2.410
258 3HD2 LEU 38 HD23 LEU 38 14.256 6.393 -2.856
259 H SER 39 HN SER 39 10.411 6.532 -1.280
260 HA SER 39 HA SER 39 11.141 8.867 -3.018
261 1HB SER 39 HB2 SER 39 9.873 6.879 -4.577
262 2HB SER 39 HB1 SER 39 11.571 7.339 -4.624
263 HG SER 39 HG SER 39 11.127 5.077 -4.144
264 H GLY 40 HN GLY 40 8.977 8.738 -4.747
265 1HA GLY 40 HA2 GLY 40 6.778 9.571 -2.960
266 2HA GLY 40 HA1 GLY 40 6.844 9.821 -4.706
267 H THR 41 HN THR 41 7.595 6.670 -3.452
268 HA THR 41 HA THR 41 5.067 5.644 -4.669
269 HB THR 41 HB THR 41 7.416 4.942 -5.417
270 HG1 THR 41 HG1 THR 41 5.575 3.020 -4.444
271 1HG2 THR 41 HG21 THR 41 7.414 3.132 -3.031
272 2HG2 THR 41 HG22 THR 41 8.053 4.766 -2.860
273 3HG2 THR 41 HG23 THR 41 8.766 3.659 -4.033
274 H TRP 42 HN TRP 42 3.560 4.661 -3.368
275 HA TRP 42 HA TRP 42 4.360 3.827 -0.608
276 1HB TRP 42 HB2 TRP 42 3.398 6.132 -0.646
277 2HB TRP 42 HB1 TRP 42 1.943 5.486 -1.404
278 HD1 TRP 42 HD1 TRP 42 4.036 4.754 1.781
279 HE1 TRP 42 HE1 TRP 42 2.399 4.204 3.693
280 HE3 TRP 42 HE3 TRP 42 -0.394 5.061 -0.740
281 HZ2 TRP 42 HZ2 TRP 42 -0.422 3.927 4.097
282 HZ3 TRP 42 HZ3 TRP 42 -2.539 4.649 0.431
283 HH2 TRP 42 HH2 TRP 42 -2.558 4.083 2.845
284 H THR 43 HN THR 43 3.663 1.723 -0.293
285 HA THR 43 HA THR 43 1.316 0.803 -1.927
286 HB THR 43 HB THR 43 3.498 -0.126 -2.613
287 HG1 THR 43 HG1 THR 43 1.475 -1.654 -1.513
288 1HG2 THR 43 HG21 THR 43 3.621 -0.954 0.292
289 2HG2 THR 43 HG22 THR 43 4.773 0.045 -0.595
290 3HG2 THR 43 HG23 THR 43 4.638 -1.677 -0.954
291 H GLN 44 HN GLN 44 -0.208 -0.531 -0.871
292 HA GLN 44 HA GLN 44 0.160 -0.905 2.081
293 1HB GLN 44 HB2 GLN 44 -1.719 0.719 0.577
294 2HB GLN 44 HB1 GLN 44 -2.574 -0.478 1.551
295 1HG GLN 44 HG2 GLN 44 -0.709 0.362 3.340
296 2HG GLN 44 HG1 GLN 44 -0.941 1.841 2.408
297 1HE2 GLN 44 HE21 GLN 44 -1.824 1.543 5.157
298 2HE2 GLN 44 HE22 GLN 44 -3.519 1.640 5.162
299 H GLN 45 HN GLN 45 0.468 -2.788 -0.219
300 HA GLN 45 HA GLN 45 -1.451 -4.853 0.740
301 1HB GLN 45 HB2 GLN 45 -2.193 -3.477 -1.362
302 2HB GLN 45 HB1 GLN 45 -0.975 -4.435 -2.206
303 1HG GLN 45 HG2 GLN 45 -2.254 -6.302 -2.156
304 2HG GLN 45 HG1 GLN 45 -2.693 -6.051 -0.465
305 1HE2 GLN 45 HE21 GLN 45 -4.521 -6.790 -2.712
306 2HE2 GLN 45 HE22 GLN 45 -5.684 -5.556 -2.787
307 H ILE 46 HN ILE 46 0.138 -6.238 1.540
308 HA ILE 46 HA ILE 46 1.996 -7.423 -0.449
309 HB ILE 46 HB ILE 46 3.006 -5.387 0.759
310 1HG1 ILE 46 HG12 ILE 46 4.772 -7.587 1.536
311 2HG1 ILE 46 HG11 ILE 46 4.102 -7.802 -0.080
312 1HG2 ILE 46 HG21 ILE 46 2.038 -5.922 2.984
313 2HG2 ILE 46 HG22 ILE 46 3.797 -5.787 3.050
314 3HG2 ILE 46 HG23 ILE 46 3.033 -7.377 3.050
315 1HD1 ILE 46 HD11 ILE 46 4.785 -5.404 -0.564
316 2HD1 ILE 46 HD12 ILE 46 6.123 -6.530 -0.340
317 3HD1 ILE 46 HD13 ILE 46 5.669 -5.431 0.961
318 H CYS 47 HN CYS 47 0.859 -7.407 2.936
319 HA CYS 47 HA CYS 47 1.038 -10.404 2.904
320 1HB CYS 47 HB2 CYS 47 1.453 -10.062 5.414
321 2HB CYS 47 HB1 CYS 47 2.759 -9.560 4.341
322 H LEU 48 HN LEU 48 -0.849 -11.442 3.486
323 HA LEU 48 HA LEU 48 -3.241 -9.797 4.016
324 1HB LEU 48 HB2 LEU 48 -2.694 -12.743 3.554
325 2HB LEU 48 HB1 LEU 48 -4.313 -12.091 3.808
326 HG LEU 48 HG LEU 48 -3.999 -12.200 1.434
327 1HD1 LEU 48 HD11 LEU 48 -3.267 -9.336 1.987
328 2HD1 LEU 48 HD12 LEU 48 -4.806 -9.975 2.565
329 3HD1 LEU 48 HD13 LEU 48 -4.441 -9.980 0.839
330 1HD2 LEU 48 HD21 LEU 48 -2.040 -11.609 0.306
331 2HD2 LEU 48 HD22 LEU 48 -1.397 -12.249 1.818
332 3HD2 LEU 48 HD23 LEU 48 -1.521 -10.505 1.581
Start of MODEL 4
1 1H GLY 1 HT1 GLY 1 -5.556 14.678 8.568
2 2H GLY 1 HT2 GLY 1 -4.873 13.124 8.523
3 3H GLY 1 HT3 GLY 1 -4.419 14.286 7.370
4 1HA GLY 1 HA2 GLY 1 -3.063 15.410 8.787
5 2HA GLY 1 HA1 GLY 1 -4.008 14.925 10.197
6 H SER 2 HN SER 2 -1.084 14.668 9.717
7 HA SER 2 HA SER 2 -0.749 11.705 9.610
8 1HB SER 2 HB2 SER 2 1.434 13.774 9.793
9 2HB SER 2 HB1 SER 2 1.480 12.191 9.023
10 HG SER 2 HG SER 2 0.771 13.088 7.270
11 H ALA 3 HN ALA 3 -0.592 10.631 11.540
12 HA ALA 3 HA ALA 3 0.493 12.123 13.903
13 1HB ALA 3 HB1 ALA 3 -1.926 12.003 14.055
14 2HB ALA 3 HB2 ALA 3 -1.251 10.861 15.216
15 3HB ALA 3 HB3 ALA 3 -1.903 10.279 13.684
16 H MET 4 HN MET 4 -0.682 8.882 14.291
17 HA MET 4 HA MET 4 1.704 7.443 13.553
18 1HB MET 4 HB2 MET 4 2.487 7.144 15.961
19 2HB MET 4 HB1 MET 4 2.747 8.750 15.278
20 1HG MET 4 HG2 MET 4 0.523 9.423 16.302
21 2HG MET 4 HG1 MET 4 0.545 7.885 17.166
22 1HE MET 4 HE1 MET 4 1.338 10.322 19.965
23 2HE MET 4 HE2 MET 4 0.100 9.504 19.016
24 3HE MET 4 HE3 MET 4 0.675 11.092 18.516
25 H GLY 5 HN GLY 5 -0.268 6.174 12.872
26 1HA GLY 5 HA2 GLY 5 -1.508 4.681 15.142
27 2HA GLY 5 HA1 GLY 5 -2.201 4.801 13.523
28 H CYS 6 HN CYS 6 -0.740 3.859 11.750
29 HA CYS 6 HA CYS 6 0.154 1.180 12.629
30 1HB CYS 6 HB2 CYS 6 0.172 0.782 10.157
31 2HB CYS 6 HB1 CYS 6 -1.378 1.388 10.737
32 H ARG 7 HN ARG 7 1.524 4.217 12.050
33 HA ARG 7 HA ARG 7 3.962 3.645 10.720
34 1HB ARG 7 HB2 ARG 7 2.900 5.863 11.396
35 2HB ARG 7 HB1 ARG 7 3.548 5.580 13.009
36 1HG ARG 7 HG2 ARG 7 5.362 6.697 12.185
37 2HG ARG 7 HG1 ARG 7 5.767 5.115 11.519
38 1HD ARG 7 HD2 ARG 7 5.906 6.552 9.637
39 2HD ARG 7 HD1 ARG 7 4.279 5.862 9.492
40 HE ARG 7 HE ARG 7 4.898 8.590 10.523
41 1HH1 ARG 7 HH11 ARG 7 3.182 7.881 8.074
42 2HH1 ARG 7 HH12 ARG 7 1.593 8.151 8.706
43 1HH2 ARG 7 HH21 ARG 7 2.625 8.181 12.017
44 2HH2 ARG 7 HH22 ARG 7 1.277 8.321 10.938
45 H HIS 8 HN HIS 8 2.917 2.812 13.945
46 HA HIS 8 HA HIS 8 5.725 2.062 14.667
47 1HB HIS 8 HB2 HIS 8 5.064 2.379 16.917
48 2HB HIS 8 HB1 HIS 8 4.233 3.668 16.050
49 HD1 HIS 8 HD1 HIS 8 3.238 2.281 18.766
50 HD2 HIS 8 HD2 HIS 8 1.792 1.499 14.936
51 HE1 HIS 8 HE1 HIS 8 0.918 1.316 19.061
52 H PHE 9 HN PHE 9 2.882 0.716 13.491
53 HA PHE 9 HA PHE 9 2.354 -1.633 14.872
54 1HB PHE 9 HB2 PHE 9 2.544 -0.900 11.956
55 2HB PHE 9 HB1 PHE 9 2.114 -2.544 12.418
56 HD1 PHE 9 HD1 PHE 9 0.005 -1.663 11.025
57 HD2 PHE 9 HD2 PHE 9 1.041 -0.373 14.994
58 HE1 PHE 9 HE1 PHE 9 -2.337 -0.941 11.407
59 HE2 PHE 9 HE2 PHE 9 -1.301 0.343 15.370
60 HZ PHE 9 HZ PHE 9 -2.988 0.060 13.578
61 H GLN 10 HN GLN 10 3.191 -3.857 14.514
62 HA GLN 10 HA GLN 10 6.109 -3.935 14.636
63 1HB GLN 10 HB2 GLN 10 3.869 -5.479 15.449
64 2HB GLN 10 HB1 GLN 10 4.843 -6.513 14.403
65 1HG GLN 10 HG2 GLN 10 6.866 -5.729 15.768
66 2HG GLN 10 HG1 GLN 10 5.701 -5.080 16.923
67 1HE2 GLN 10 HE21 GLN 10 7.546 -7.792 16.356
68 2HE2 GLN 10 HE22 GLN 10 6.589 -8.950 17.147
69 H SER 11 HN SER 11 3.917 -5.951 12.644
70 HA SER 11 HA SER 11 5.903 -5.685 10.408
71 1HB SER 11 HB2 SER 11 4.702 -7.922 11.789
72 2HB SER 11 HB1 SER 11 4.281 -7.981 10.080
73 HG SER 11 HG SER 11 6.415 -8.894 10.933
74 H CYS 12 HN CYS 12 4.464 -6.677 8.328
75 HA CYS 12 HA CYS 12 2.677 -4.519 7.650
76 1HB CYS 12 HB2 CYS 12 2.335 -5.955 5.613
77 2HB CYS 12 HB1 CYS 12 4.033 -5.693 6.007
78 H SER 13 HN SER 13 2.169 -7.269 9.559
79 HA SER 13 HA SER 13 -0.374 -8.240 8.817
80 1HB SER 13 HB2 SER 13 1.172 -9.092 10.601
81 2HB SER 13 HB1 SER 13 0.700 -7.728 11.610
82 HG SER 13 HG SER 13 -1.152 -8.666 11.998
83 H GLN 14 HN GLN 14 0.223 -5.734 11.332
84 HA GLN 14 HA GLN 14 -2.584 -4.900 11.229
85 1HB GLN 14 HB2 GLN 14 -0.935 -4.986 13.226
86 2HB GLN 14 HB1 GLN 14 -0.294 -3.473 12.581
87 1HG GLN 14 HG2 GLN 14 -1.932 -2.667 14.022
88 2HG GLN 14 HG1 GLN 14 -2.843 -2.781 12.516
89 1HE2 GLN 14 HE21 GLN 14 -2.855 -3.752 15.780
90 2HE2 GLN 14 HE22 GLN 14 -4.011 -4.990 15.659
91 H CYS 15 HN CYS 15 0.410 -3.961 9.725
92 HA CYS 15 HA CYS 15 -0.032 -1.240 9.121
93 1HB CYS 15 HB2 CYS 15 2.029 -2.516 8.670
94 2HB CYS 15 HB1 CYS 15 1.181 -3.459 7.443
95 H LEU 16 HN LEU 16 -1.308 -4.161 7.552
96 HA LEU 16 HA LEU 16 -2.955 -2.414 5.760
97 1HB LEU 16 HB2 LEU 16 -1.742 -5.158 5.582
98 2HB LEU 16 HB1 LEU 16 -3.152 -4.773 4.594
99 HG LEU 16 HG LEU 16 -1.901 -2.703 3.814
100 1HD1 LEU 16 HD11 LEU 16 0.213 -4.066 5.459
101 2HD1 LEU 16 HD12 LEU 16 -0.196 -2.353 5.369
102 3HD1 LEU 16 HD13 LEU 16 0.680 -3.121 4.045
103 1HD2 LEU 16 HD21 LEU 16 -0.412 -4.014 2.268
104 2HD2 LEU 16 HD22 LEU 16 -2.057 -4.645 2.359
105 3HD2 LEU 16 HD23 LEU 16 -0.753 -5.450 3.232
106 H SER 17 HN SER 17 -3.126 -4.502 8.490
107 HA SER 17 HA SER 17 -5.907 -5.366 7.990
108 1HB SER 17 HB2 SER 17 -4.066 -6.679 9.176
109 2HB SER 17 HB1 SER 17 -4.245 -5.554 10.519
110 HG SER 17 HG SER 17 -6.386 -6.201 10.714
111 H ALA 18 HN ALA 18 -4.403 -2.564 9.130
112 HA ALA 18 HA ALA 18 -6.956 -1.658 10.371
113 1HB ALA 18 HB1 ALA 18 -6.027 -1.751 12.425
114 2HB ALA 18 HB2 ALA 18 -4.754 -0.652 11.892
115 3HB ALA 18 HB3 ALA 18 -4.542 -2.395 11.724
116 HA PRO 19 HA PRO 19 -4.615 1.382 7.665
117 1HB PRO 19 HB2 PRO 19 -6.254 1.327 5.477
118 2HB PRO 19 HB1 PRO 19 -4.838 0.276 5.673
119 1HG PRO 19 HG2 PRO 19 -7.713 -0.347 6.014
120 2HG PRO 19 HG1 PRO 19 -6.395 -1.369 5.430
121 1HD PRO 19 HD2 PRO 19 -7.480 -1.493 7.969
122 2HD PRO 19 HD1 PRO 19 -5.872 -2.096 7.514
123 HA PRO 20 HA PRO 20 -8.844 3.682 7.730
124 1HB PRO 20 HB2 PRO 20 -10.698 2.752 9.514
125 2HB PRO 20 HB1 PRO 20 -10.661 2.264 7.808
126 1HG PRO 20 HG2 PRO 20 -9.704 0.812 10.215
127 2HG PRO 20 HG1 PRO 20 -10.483 0.190 8.753
128 1HD PRO 20 HD2 PRO 20 -7.805 0.033 9.244
129 2HD PRO 20 HD1 PRO 20 -8.512 0.029 7.619
130 H PHE 21 HN PHE 21 -7.702 2.086 10.687
131 HA PHE 21 HA PHE 21 -8.104 4.541 12.289
132 1HB PHE 21 HB2 PHE 21 -6.723 1.950 13.044
133 2HB PHE 21 HB1 PHE 21 -7.507 3.109 14.120
134 HD1 PHE 21 HD1 PHE 21 -7.962 -0.038 13.198
135 HD2 PHE 21 HD2 PHE 21 -10.015 3.707 12.748
136 HE1 PHE 21 HE1 PHE 21 -10.110 -1.248 12.933
137 HE2 PHE 21 HE2 PHE 21 -12.164 2.499 12.484
138 HZ PHE 21 HZ PHE 21 -12.212 0.020 12.578
139 H VAL 22 HN VAL 22 -6.054 4.124 9.961
140 HA VAL 22 HA VAL 22 -3.819 5.468 11.371
141 HB VAL 22 HB VAL 22 -2.220 3.813 10.688
142 1HG1 VAL 22 HG11 VAL 22 -4.659 2.299 11.651
143 2HG1 VAL 22 HG12 VAL 22 -3.635 3.282 12.698
144 3HG1 VAL 22 HG13 VAL 22 -2.969 1.859 11.900
145 1HG2 VAL 22 HG21 VAL 22 -3.249 1.707 9.487
146 2HG2 VAL 22 HG22 VAL 22 -2.822 3.132 8.539
147 3HG2 VAL 22 HG23 VAL 22 -4.502 2.848 8.996
148 H GLN 23 HN GLN 23 -1.963 5.340 9.296
149 HA GLN 23 HA GLN 23 -3.327 6.224 6.811
150 1HB GLN 23 HB2 GLN 23 -3.224 8.207 8.240
151 2HB GLN 23 HB1 GLN 23 -1.504 7.940 8.525
152 1HG GLN 23 HG2 GLN 23 -1.235 9.376 6.777
153 2HG GLN 23 HG1 GLN 23 -1.574 7.948 5.797
154 1HE2 GLN 23 HE21 GLN 23 -4.202 7.569 5.739
155 2HE2 GLN 23 HE22 GLN 23 -5.073 8.964 5.317
156 H CYS 24 HN CYS 24 -0.321 5.441 8.533
157 HA CYS 24 HA CYS 24 1.438 5.626 6.284
158 1HB CYS 24 HB2 CYS 24 3.005 4.735 7.782
159 2HB CYS 24 HB1 CYS 24 1.813 5.437 8.870
160 H GLY 25 HN GLY 25 2.515 3.705 5.256
161 1HA GLY 25 HA2 GLY 25 0.769 1.309 4.969
162 2HA GLY 25 HA1 GLY 25 1.186 2.225 3.521
163 H TRP 26 HN TRP 26 2.104 -0.197 3.197
164 HA TRP 26 HA TRP 26 4.735 -0.565 4.505
165 1HB TRP 26 HB2 TRP 26 2.870 -2.297 3.798
166 2HB TRP 26 HB1 TRP 26 3.657 -2.197 2.224
167 HD1 TRP 26 HD1 TRP 26 5.855 -3.492 1.906
168 HE1 TRP 26 HE1 TRP 26 7.369 -4.899 3.448
169 HE3 TRP 26 HE3 TRP 26 3.720 -2.462 6.415
170 HZ2 TRP 26 HZ2 TRP 26 7.644 -5.496 6.229
171 HZ3 TRP 26 HZ3 TRP 26 4.617 -3.460 8.500
172 HH2 TRP 26 HH2 TRP 26 6.576 -4.979 8.412
173 H CYS 27 HN CYS 27 6.698 -0.069 3.522
174 HA CYS 27 HA CYS 27 6.618 0.763 0.643
175 1HB CYS 27 HB2 CYS 27 6.441 2.727 2.059
176 2HB CYS 27 HB1 CYS 27 7.813 2.196 3.031
177 H HIS 28 HN HIS 28 7.828 -0.966 -0.149
178 HA HIS 28 HA HIS 28 9.706 -2.351 -0.515
179 1HB HIS 28 HB2 HIS 28 10.302 -0.093 -1.338
180 2HB HIS 28 HB1 HIS 28 10.986 0.289 0.243
181 HD1 HIS 28 HD1 HIS 28 11.353 -2.993 -1.627
182 HD2 HIS 28 HD2 HIS 28 13.710 0.215 -0.386
183 HE1 HIS 28 HE1 HIS 28 13.754 -3.639 -2.111
184 H ASP 29 HN ASP 29 8.835 -2.029 2.509
185 HA ASP 29 HA ASP 29 10.739 -3.819 3.586
186 1HB ASP 29 HB2 ASP 29 11.868 -1.978 5.104
187 2HB ASP 29 HB1 ASP 29 12.493 -2.309 3.489
188 H LYS 30 HN LYS 30 10.021 -0.928 5.465
189 HA LYS 30 HA LYS 30 8.233 -2.604 7.155
190 1HB LYS 30 HB2 LYS 30 8.962 -1.258 8.928
191 2HB LYS 30 HB1 LYS 30 10.382 -1.294 7.886
192 1HG LYS 30 HG2 LYS 30 9.431 0.848 6.812
193 2HG LYS 30 HG1 LYS 30 8.358 0.920 8.212
194 1HD LYS 30 HD2 LYS 30 11.331 0.585 8.570
195 2HD LYS 30 HD1 LYS 30 10.621 2.185 8.351
196 1HE LYS 30 HE2 LYS 30 10.030 2.208 10.536
197 2HE LYS 30 HE1 LYS 30 9.038 0.759 10.276
198 1HZ LYS 30 HZ1 LYS 30 11.982 0.601 10.491
199 2HZ LYS 30 HZ2 LYS 30 10.841 -0.644 10.671
200 3HZ LYS 30 HZ3 LYS 30 10.999 0.548 11.872
201 H CYS 31 HN CYS 31 6.544 -1.030 8.352
202 HA CYS 31 HA CYS 31 4.828 0.023 6.204
203 1HB CYS 31 HB2 CYS 31 4.115 -1.477 8.108
204 2HB CYS 31 HB1 CYS 31 4.375 -0.107 9.189
205 H VAL 32 HN VAL 32 5.443 2.056 5.552
206 HA VAL 32 HA VAL 32 5.363 4.223 7.593
207 HB VAL 32 HB VAL 32 7.483 5.083 6.865
208 1HG1 VAL 32 HG11 VAL 32 7.836 2.076 6.846
209 2HG1 VAL 32 HG12 VAL 32 7.480 2.983 8.316
210 3HG1 VAL 32 HG13 VAL 32 8.974 3.289 7.430
211 1HG2 VAL 32 HG21 VAL 32 6.792 3.612 4.456
212 2HG2 VAL 32 HG22 VAL 32 8.442 3.247 4.961
213 3HG2 VAL 32 HG23 VAL 32 7.960 4.918 4.661
214 H ARG 33 HN ARG 33 5.410 6.428 6.276
215 HA ARG 33 HA ARG 33 3.897 6.063 3.710
216 1HB ARG 33 HB2 ARG 33 2.850 6.845 6.123
217 2HB ARG 33 HB1 ARG 33 3.243 8.400 5.390
218 1HG ARG 33 HG2 ARG 33 2.111 7.271 3.255
219 2HG ARG 33 HG1 ARG 33 1.289 6.321 4.495
220 1HD ARG 33 HD2 ARG 33 0.354 8.283 5.513
221 2HD ARG 33 HD1 ARG 33 1.405 9.354 4.565
222 HE ARG 33 HE ARG 33 -0.906 7.823 3.492
223 1HH1 ARG 33 HH21 ARG 33 1.353 7.877 1.528
224 2HH1 ARG 33 HH22 ARG 33 1.039 9.336 0.648
225 1HH2 ARG 33 HH11 ARG 33 -1.147 10.608 3.020
226 2HH2 ARG 33 HH12 ARG 33 -0.378 10.881 1.492
227 H SER 34 HN SER 34 3.781 8.322 2.564
228 HA SER 34 HA SER 34 6.151 9.168 1.522
229 1HB SER 34 HB2 SER 34 3.752 9.961 1.103
230 2HB SER 34 HB1 SER 34 4.010 11.117 2.408
231 HG SER 34 HG SER 34 4.522 11.991 0.349
232 H GLU 35 HN GLU 35 4.903 10.108 4.708
233 HA GLU 35 HA GLU 35 6.579 12.224 5.420
234 1HB GLU 35 HB2 GLU 35 4.841 10.422 6.650
235 2HB GLU 35 HB1 GLU 35 6.371 10.161 7.488
236 1HG GLU 35 HG2 GLU 35 5.686 12.997 7.014
237 2HG GLU 35 HG1 GLU 35 4.610 12.148 8.125
238 H GLU 36 HN GLU 36 7.368 8.788 5.147
239 HA GLU 36 HA GLU 36 10.224 9.433 5.803
240 1HB GLU 36 HB2 GLU 36 8.513 7.691 7.031
241 2HB GLU 36 HB1 GLU 36 9.266 6.630 5.839
242 1HG GLU 36 HG2 GLU 36 11.246 6.632 6.932
243 2HG GLU 36 HG1 GLU 36 11.197 8.378 7.177
244 H CYS 37 HN CYS 37 8.067 7.560 3.669
245 HA CYS 37 HA CYS 37 10.336 6.907 1.864
246 1HB CYS 37 HB2 CYS 37 7.610 5.946 2.463
247 2HB CYS 37 HB1 CYS 37 8.020 5.917 0.748
248 H LEU 38 HN LEU 38 10.095 9.588 1.779
249 HA LEU 38 HA LEU 38 8.108 10.534 -0.141
250 1HB LEU 38 HB2 LEU 38 9.965 11.563 1.748
251 2HB LEU 38 HB1 LEU 38 10.398 12.255 0.184
252 HG LEU 38 HG LEU 38 7.511 12.193 0.989
253 1HD1 LEU 38 HD11 LEU 38 9.328 13.266 2.726
254 2HD1 LEU 38 HD12 LEU 38 7.680 13.863 2.531
255 3HD1 LEU 38 HD13 LEU 38 9.009 14.648 1.677
256 1HD2 LEU 38 HD21 LEU 38 7.290 13.704 -0.710
257 2HD2 LEU 38 HD22 LEU 38 8.840 13.049 -1.236
258 3HD2 LEU 38 HD23 LEU 38 8.787 14.538 -0.293
259 H SER 39 HN SER 39 9.277 8.440 -1.442
260 HA SER 39 HA SER 39 11.279 9.682 -3.301
261 1HB SER 39 HB2 SER 39 11.023 7.134 -1.921
262 2HB SER 39 HB1 SER 39 11.185 6.895 -3.658
263 HG SER 39 HG SER 39 12.858 8.563 -2.080
264 H GLY 40 HN GLY 40 8.150 8.137 -3.031
265 1HA GLY 40 HA2 GLY 40 6.541 8.750 -4.863
266 2HA GLY 40 HA1 GLY 40 7.839 8.372 -5.998
267 H THR 41 HN THR 41 7.588 6.330 -3.224
268 HA THR 41 HA THR 41 6.066 4.295 -4.803
269 HB THR 41 HB THR 41 8.624 4.154 -4.960
270 HG1 THR 41 HG1 THR 41 8.508 1.832 -4.406
271 1HG2 THR 41 HG21 THR 41 8.467 2.944 -2.213
272 2HG2 THR 41 HG22 THR 41 8.746 4.676 -2.396
273 3HG2 THR 41 HG23 THR 41 9.882 3.521 -3.093
274 H TRP 42 HN TRP 42 4.376 3.664 -3.544
275 HA TRP 42 HA TRP 42 4.836 3.076 -0.665
276 1HB TRP 42 HB2 TRP 42 4.147 5.464 -0.891
277 2HB TRP 42 HB1 TRP 42 2.687 4.941 -1.732
278 HD1 TRP 42 HD1 TRP 42 4.440 4.508 1.674
279 HE1 TRP 42 HE1 TRP 42 2.633 4.108 3.463
280 HE3 TRP 42 HE3 TRP 42 0.292 4.324 -1.296
281 HZ2 TRP 42 HZ2 TRP 42 -0.212 3.761 3.616
282 HZ3 TRP 42 HZ3 TRP 42 -1.949 3.959 -0.309
283 HH2 TRP 42 HH2 TRP 42 -2.209 3.676 2.141
284 H THR 43 HN THR 43 3.912 1.074 -0.328
285 HA THR 43 HA THR 43 1.603 0.309 -2.086
286 HB THR 43 HB THR 43 3.595 -0.954 -2.594
287 HG1 THR 43 HG1 THR 43 2.824 -3.048 -1.406
288 1HG2 THR 43 HG21 THR 43 3.744 -1.428 0.394
289 2HG2 THR 43 HG22 THR 43 4.887 -0.514 -0.589
290 3HG2 THR 43 HG23 THR 43 4.749 -2.261 -0.793
291 H GLN 44 HN GLN 44 -0.172 -0.657 -1.126
292 HA GLN 44 HA GLN 44 -0.172 -0.859 1.869
293 1HB GLN 44 HB2 GLN 44 -1.495 0.967 0.370
294 2HB GLN 44 HB1 GLN 44 -2.677 -0.341 0.341
295 1HG GLN 44 HG2 GLN 44 -2.336 -0.457 2.897
296 2HG GLN 44 HG1 GLN 44 -1.561 1.120 2.735
297 1HE2 GLN 44 HE21 GLN 44 -3.831 1.213 4.228
298 2HE2 GLN 44 HE22 GLN 44 -5.136 1.850 3.350
299 H GLN 45 HN GLN 45 0.172 -2.816 -0.548
300 HA GLN 45 HA GLN 45 -1.677 -4.888 0.532
301 1HB GLN 45 HB2 GLN 45 -2.105 -5.456 -1.966
302 2HB GLN 45 HB1 GLN 45 -2.933 -4.049 -1.298
303 1HG GLN 45 HG2 GLN 45 -1.595 -2.544 -2.443
304 2HG GLN 45 HG1 GLN 45 -0.227 -3.655 -2.514
305 1HE2 GLN 45 HE21 GLN 45 -0.335 -2.931 -4.922
306 2HE2 GLN 45 HE22 GLN 45 -1.353 -3.822 -5.948
307 H ILE 46 HN ILE 46 -0.050 -6.259 1.264
308 HA ILE 46 HA ILE 46 1.722 -7.454 -0.795
309 HB ILE 46 HB ILE 46 3.055 -5.633 0.034
310 1HG1 ILE 46 HG12 ILE 46 4.838 -6.866 1.334
311 2HG1 ILE 46 HG11 ILE 46 3.735 -8.238 1.430
312 1HG2 ILE 46 HG21 ILE 46 1.470 -5.687 2.240
313 2HG2 ILE 46 HG22 ILE 46 3.016 -4.844 2.183
314 3HG2 ILE 46 HG23 ILE 46 2.919 -6.459 2.883
315 1HD1 ILE 46 HD11 ILE 46 5.522 -7.901 -0.588
316 2HD1 ILE 46 HD12 ILE 46 4.113 -7.095 -1.277
317 3HD1 ILE 46 HD13 ILE 46 4.005 -8.781 -0.772
318 H CYS 47 HN CYS 47 0.898 -7.408 2.690
319 HA CYS 47 HA CYS 47 1.447 -10.319 2.875
320 1HB CYS 47 HB2 CYS 47 0.677 -8.172 4.878
321 2HB CYS 47 HB1 CYS 47 1.062 -9.839 5.305
322 H LEU 48 HN LEU 48 -0.222 -11.719 2.487
323 HA LEU 48 HA LEU 48 -2.993 -10.809 2.335
324 1HB LEU 48 HB2 LEU 48 -1.487 -13.408 2.061
325 2HB LEU 48 HB1 LEU 48 -3.251 -13.388 2.035
326 HG LEU 48 HG LEU 48 -2.568 -11.317 0.319
327 1HD1 LEU 48 HD11 LEU 48 -0.820 -13.676 -0.390
328 2HD1 LEU 48 HD12 LEU 48 -0.193 -12.291 0.503
329 3HD1 LEU 48 HD13 LEU 48 -0.839 -12.073 -1.124
330 1HD2 LEU 48 HD21 LEU 48 -3.875 -13.860 0.260
331 2HD2 LEU 48 HD22 LEU 48 -2.872 -13.732 -1.185
332 3HD2 LEU 48 HD23 LEU 48 -4.089 -12.502 -0.844
Start of MODEL 5
1 1H GLY 1 HT1 GLY 1 5.940 12.458 15.349
2 2H GLY 1 HT2 GLY 1 5.236 13.436 16.546
3 3H GLY 1 HT3 GLY 1 6.722 13.876 15.850
4 1HA GLY 1 HA2 GLY 1 4.685 15.119 15.046
5 2HA GLY 1 HA1 GLY 1 5.757 14.449 13.817
6 H SER 2 HN SER 2 2.784 14.965 13.787
7 HA SER 2 HA SER 2 0.851 13.881 12.965
8 1HB SER 2 HB2 SER 2 1.884 13.235 11.025
9 2HB SER 2 HB1 SER 2 3.269 12.556 11.878
10 HG SER 2 HG SER 2 1.156 11.298 10.860
11 H ALA 3 HN ALA 3 -0.079 11.391 12.888
12 HA ALA 3 HA ALA 3 -0.074 10.535 15.710
13 1HB ALA 3 HB1 ALA 3 -1.832 8.936 14.683
14 2HB ALA 3 HB2 ALA 3 -1.601 9.851 13.192
15 3HB ALA 3 HB3 ALA 3 -2.194 10.661 14.643
16 H MET 4 HN MET 4 0.217 8.198 16.237
17 HA MET 4 HA MET 4 2.173 6.854 14.397
18 1HB MET 4 HB2 MET 4 2.152 7.484 17.308
19 2HB MET 4 HB1 MET 4 2.829 5.923 16.848
20 1HG MET 4 HG2 MET 4 4.405 6.990 15.338
21 2HG MET 4 HG1 MET 4 3.661 8.565 15.615
22 1HE MET 4 HE1 MET 4 7.316 7.686 17.058
23 2HE MET 4 HE2 MET 4 6.690 9.267 16.602
24 3HE MET 4 HE3 MET 4 6.385 7.876 15.566
25 H GLY 5 HN GLY 5 0.258 5.684 13.513
26 1HA GLY 5 HA2 GLY 5 -0.778 3.610 15.406
27 2HA GLY 5 HA1 GLY 5 -1.706 4.224 14.038
28 H CYS 6 HN CYS 6 -0.570 3.896 11.844
29 HA CYS 6 HA CYS 6 -0.049 1.090 11.468
30 1HB CYS 6 HB2 CYS 6 -1.039 2.337 9.705
31 2HB CYS 6 HB1 CYS 6 0.185 3.599 9.799
32 H ARG 7 HN ARG 7 2.085 3.953 11.571
33 HA ARG 7 HA ARG 7 4.514 2.588 10.879
34 1HB ARG 7 HB2 ARG 7 3.894 5.103 11.002
35 2HB ARG 7 HB1 ARG 7 4.282 4.972 12.718
36 1HG ARG 7 HG2 ARG 7 6.457 5.215 12.203
37 2HG ARG 7 HG1 ARG 7 6.385 3.684 11.330
38 1HD ARG 7 HD2 ARG 7 7.131 5.238 9.692
39 2HD ARG 7 HD1 ARG 7 5.388 5.110 9.379
40 HE ARG 7 HE ARG 7 6.736 7.461 10.403
41 1HH1 ARG 7 HH21 ARG 7 3.902 6.670 9.084
42 2HH1 ARG 7 HH22 ARG 7 2.873 7.490 10.211
43 1HH2 ARG 7 HH11 ARG 7 5.404 8.050 12.516
44 2HH2 ARG 7 HH12 ARG 7 3.724 8.272 12.156
45 H HIS 8 HN HIS 8 2.780 2.981 13.930
46 HA HIS 8 HA HIS 8 4.972 2.071 15.611
47 1HB HIS 8 HB2 HIS 8 3.551 2.986 17.113
48 2HB HIS 8 HB1 HIS 8 2.365 3.206 15.834
49 HD1 HIS 8 HD1 HIS 8 3.562 0.155 17.817
50 HD2 HIS 8 HD2 HIS 8 0.020 2.005 16.629
51 HE1 HIS 8 HE1 HIS 8 1.673 -1.276 18.708
52 H PHE 9 HN PHE 9 2.512 0.506 13.699
53 HA PHE 9 HA PHE 9 2.215 -1.982 14.988
54 1HB PHE 9 HB2 PHE 9 2.345 -1.164 12.073
55 2HB PHE 9 HB1 PHE 9 1.838 -2.769 12.594
56 HD1 PHE 9 HD1 PHE 9 0.843 -0.723 15.199
57 HD2 PHE 9 HD2 PHE 9 -0.159 -1.577 11.112
58 HE1 PHE 9 HE1 PHE 9 -1.458 0.124 15.581
59 HE2 PHE 9 HE2 PHE 9 -2.457 -0.729 11.493
60 HZ PHE 9 HZ PHE 9 -3.106 0.122 13.730
61 H GLN 10 HN GLN 10 3.298 -4.047 14.498
62 HA GLN 10 HA GLN 10 6.234 -3.714 14.250
63 1HB GLN 10 HB2 GLN 10 4.310 -5.854 15.148
64 2HB GLN 10 HB1 GLN 10 6.002 -6.250 14.845
65 1HG GLN 10 HG2 GLN 10 6.638 -5.320 16.793
66 2HG GLN 10 HG1 GLN 10 5.795 -3.820 16.408
67 1HE2 GLN 10 HE21 GLN 10 5.734 -6.568 18.454
68 2HE2 GLN 10 HE22 GLN 10 4.168 -6.358 19.076
69 H SER 11 HN SER 11 4.015 -6.244 13.026
70 HA SER 11 HA SER 11 5.697 -6.509 10.599
71 1HB SER 11 HB2 SER 11 3.805 -8.104 12.189
72 2HB SER 11 HB1 SER 11 3.607 -8.317 10.451
73 HG SER 11 HG SER 11 5.497 -9.297 12.051
74 H CYS 12 HN CYS 12 3.988 -7.216 8.643
75 HA CYS 12 HA CYS 12 2.617 -4.695 7.988
76 1HB CYS 12 HB2 CYS 12 2.456 -5.726 5.786
77 2HB CYS 12 HB1 CYS 12 4.069 -6.036 6.429
78 H SER 13 HN SER 13 1.735 -7.476 9.645
79 HA SER 13 HA SER 13 -0.821 -8.160 8.617
80 1HB SER 13 HB2 SER 13 0.829 -8.629 10.907
81 2HB SER 13 HB1 SER 13 -0.802 -8.276 11.473
82 HG SER 13 HG SER 13 0.152 -10.478 10.249
83 H GLN 14 HN GLN 14 -0.161 -6.010 11.421
84 HA GLN 14 HA GLN 14 -2.851 -4.955 11.488
85 1HB GLN 14 HB2 GLN 14 -1.098 -5.092 13.340
86 2HB GLN 14 HB1 GLN 14 -0.314 -3.708 12.575
87 1HG GLN 14 HG2 GLN 14 -1.689 -2.539 13.993
88 2HG GLN 14 HG1 GLN 14 -2.839 -2.770 12.675
89 1HE2 GLN 14 HE21 GLN 14 -4.818 -3.514 13.430
90 2HE2 GLN 14 HE22 GLN 14 -5.033 -4.556 14.753
91 H CYS 15 HN CYS 15 0.191 -3.861 10.030
92 HA CYS 15 HA CYS 15 -0.391 -1.227 9.313
93 1HB CYS 15 HB2 CYS 15 1.152 -3.508 8.157
94 2HB CYS 15 HB1 CYS 15 0.947 -2.074 7.151
95 H LEU 16 HN LEU 16 -1.263 -4.176 7.476
96 HA LEU 16 HA LEU 16 -3.023 -2.515 5.737
97 1HB LEU 16 HB2 LEU 16 -1.746 -5.242 5.608
98 2HB LEU 16 HB1 LEU 16 -3.065 -4.820 4.512
99 HG LEU 16 HG LEU 16 -1.801 -2.840 3.748
100 1HD1 LEU 16 HD11 LEU 16 -0.008 -3.726 5.954
101 2HD1 LEU 16 HD12 LEU 16 -0.379 -2.096 5.391
102 3HD1 LEU 16 HD13 LEU 16 0.770 -3.096 4.502
103 1HD2 LEU 16 HD21 LEU 16 -1.502 -4.961 2.540
104 2HD2 LEU 16 HD22 LEU 16 -0.214 -5.426 3.651
105 3HD2 LEU 16 HD23 LEU 16 0.010 -4.054 2.565
106 H SER 17 HN SER 17 -3.314 -4.233 8.583
107 HA SER 17 HA SER 17 -5.995 -5.363 7.930
108 1HB SER 17 HB2 SER 17 -4.058 -5.575 10.240
109 2HB SER 17 HB1 SER 17 -5.690 -6.224 10.336
110 HG SER 17 HG SER 17 -4.982 -7.188 8.159
111 H ALA 18 HN ALA 18 -4.583 -2.537 9.208
112 HA ALA 18 HA ALA 18 -7.237 -1.641 10.233
113 1HB ALA 18 HB1 ALA 18 -5.029 -0.708 11.882
114 2HB ALA 18 HB2 ALA 18 -5.075 -2.470 11.831
115 3HB ALA 18 HB3 ALA 18 -6.490 -1.566 12.371
116 HA PRO 19 HA PRO 19 -4.683 1.394 7.730
117 1HB PRO 19 HB2 PRO 19 -6.217 1.426 5.467
118 2HB PRO 19 HB1 PRO 19 -4.841 0.334 5.710
119 1HG PRO 19 HG2 PRO 19 -7.744 -0.215 5.890
120 2HG PRO 19 HG1 PRO 19 -6.422 -1.264 5.366
121 1HD PRO 19 HD2 PRO 19 -7.651 -1.387 7.842
122 2HD PRO 19 HD1 PRO 19 -6.043 -2.038 7.465
123 HA PRO 20 HA PRO 20 -8.814 3.843 7.613
124 1HB PRO 20 HB2 PRO 20 -10.816 2.941 9.245
125 2HB PRO 20 HB1 PRO 20 -10.683 2.490 7.535
126 1HG PRO 20 HG2 PRO 20 -9.950 0.948 9.962
127 2HG PRO 20 HG1 PRO 20 -10.638 0.388 8.431
128 1HD PRO 20 HD2 PRO 20 -8.004 0.137 9.124
129 2HD PRO 20 HD1 PRO 20 -8.594 0.171 7.452
130 H PHE 21 HN PHE 21 -7.520 2.240 10.423
131 HA PHE 21 HA PHE 21 -8.107 4.585 12.167
132 1HB PHE 21 HB2 PHE 21 -6.727 1.976 12.848
133 2HB PHE 21 HB1 PHE 21 -7.547 3.081 13.951
134 HD1 PHE 21 HD1 PHE 21 -7.978 -0.028 13.046
135 HD2 PHE 21 HD2 PHE 21 -9.999 3.705 12.379
136 HE1 PHE 21 HE1 PHE 21 -10.107 -1.245 12.680
137 HE2 PHE 21 HE2 PHE 21 -12.129 2.486 12.015
138 HZ PHE 21 HZ PHE 21 -12.182 0.011 12.166
139 H VAL 22 HN VAL 22 -5.732 3.569 10.035
140 HA VAL 22 HA VAL 22 -3.653 5.171 11.482
141 HB VAL 22 HB VAL 22 -2.022 3.508 10.739
142 1HG1 VAL 22 HG11 VAL 22 -3.119 3.024 12.852
143 2HG1 VAL 22 HG12 VAL 22 -2.928 1.510 11.969
144 3HG1 VAL 22 HG13 VAL 22 -4.498 2.310 12.016
145 1HG2 VAL 22 HG21 VAL 22 -2.697 2.668 8.684
146 2HG2 VAL 22 HG22 VAL 22 -4.387 2.542 9.176
147 3HG2 VAL 22 HG23 VAL 22 -3.215 1.347 9.731
148 H GLN 23 HN GLN 23 -1.787 5.600 9.721
149 HA GLN 23 HA GLN 23 -3.098 6.349 7.130
150 1HB GLN 23 HB2 GLN 23 -3.061 8.395 8.205
151 2HB GLN 23 HB1 GLN 23 -1.693 7.952 9.221
152 1HG GLN 23 HG2 GLN 23 -1.076 8.121 6.335
153 2HG GLN 23 HG1 GLN 23 -1.527 9.652 7.085
154 1HE2 GLN 23 HE21 GLN 23 1.047 7.382 6.725
155 2HE2 GLN 23 HE22 GLN 23 2.101 8.063 7.868
156 H CYS 24 HN CYS 24 -0.237 5.207 8.806
157 HA CYS 24 HA CYS 24 1.619 5.591 6.620
158 1HB CYS 24 HB2 CYS 24 2.958 5.150 8.378
159 2HB CYS 24 HB1 CYS 24 1.563 4.703 9.341
160 H GLY 25 HN GLY 25 2.717 3.651 5.584
161 1HA GLY 25 HA2 GLY 25 0.960 1.314 5.123
162 2HA GLY 25 HA1 GLY 25 1.343 2.312 3.718
163 H TRP 26 HN TRP 26 2.302 -0.094 3.307
164 HA TRP 26 HA TRP 26 4.981 -0.399 4.531
165 1HB TRP 26 HB2 TRP 26 3.141 -2.182 3.881
166 2HB TRP 26 HB1 TRP 26 3.872 -2.057 2.284
167 HD1 TRP 26 HD1 TRP 26 6.162 -3.189 1.899
168 HE1 TRP 26 HE1 TRP 26 7.740 -4.596 3.373
169 HE3 TRP 26 HE3 TRP 26 3.989 -2.468 6.459
170 HZ2 TRP 26 HZ2 TRP 26 8.049 -5.313 6.121
171 HZ3 TRP 26 HZ3 TRP 26 4.940 -3.527 8.490
172 HH2 TRP 26 HH2 TRP 26 6.964 -4.950 8.326
173 H CYS 27 HN CYS 27 6.887 0.149 3.467
174 HA CYS 27 HA CYS 27 6.639 1.088 0.627
175 1HB CYS 27 HB2 CYS 27 6.794 2.829 2.504
176 2HB CYS 27 HB1 CYS 27 8.444 2.258 2.752
177 H HIS 28 HN HIS 28 7.602 -0.705 -0.346
178 HA HIS 28 HA HIS 28 9.283 -2.293 -0.873
179 1HB HIS 28 HB2 HIS 28 10.741 0.315 -0.383
180 2HB HIS 28 HB1 HIS 28 11.418 -1.048 -1.273
181 HD1 HIS 28 HD1 HIS 28 10.538 -1.485 -3.646
182 HD2 HIS 28 HD2 HIS 28 8.570 1.647 -1.722
183 HE1 HIS 28 HE1 HIS 28 9.135 -0.328 -5.410
184 H ASP 29 HN ASP 29 8.827 -1.864 2.244
185 HA ASP 29 HA ASP 29 10.665 -3.789 3.145
186 1HB ASP 29 HB2 ASP 29 12.227 -2.048 4.370
187 2HB ASP 29 HB1 ASP 29 12.545 -2.509 2.698
188 H LYS 30 HN LYS 30 10.414 -0.675 4.837
189 HA LYS 30 HA LYS 30 9.052 -2.067 7.072
190 1HB LYS 30 HB2 LYS 30 11.132 -0.372 6.967
191 2HB LYS 30 HB1 LYS 30 9.836 0.814 7.131
192 1HG LYS 30 HG2 LYS 30 9.049 -0.910 9.032
193 2HG LYS 30 HG1 LYS 30 10.781 -1.243 9.070
194 1HD LYS 30 HD2 LYS 30 9.871 1.612 9.045
195 2HD LYS 30 HD1 LYS 30 9.757 0.701 10.551
196 1HE LYS 30 HE2 LYS 30 12.326 0.284 9.206
197 2HE LYS 30 HE1 LYS 30 12.046 1.983 9.637
198 1HZ LYS 30 HZ1 LYS 30 11.152 0.969 11.822
199 2HZ LYS 30 HZ2 LYS 30 12.832 1.109 11.609
200 3HZ LYS 30 HZ3 LYS 30 12.067 -0.390 11.384
201 H CYS 31 HN CYS 31 7.383 -0.592 8.258
202 HA CYS 31 HA CYS 31 5.313 0.155 6.280
203 1HB CYS 31 HB2 CYS 31 5.253 -1.279 8.560
204 2HB CYS 31 HB1 CYS 31 4.892 0.313 9.226
205 H VAL 32 HN VAL 32 5.661 2.224 5.549
206 HA VAL 32 HA VAL 32 5.565 4.426 7.543
207 HB VAL 32 HB VAL 32 7.533 5.467 6.588
208 1HG1 VAL 32 HG11 VAL 32 7.796 3.483 8.210
209 2HG1 VAL 32 HG12 VAL 32 9.218 3.938 7.273
210 3HG1 VAL 32 HG13 VAL 32 8.256 2.540 6.793
211 1HG2 VAL 32 HG21 VAL 32 8.699 3.798 4.791
212 2HG2 VAL 32 HG22 VAL 32 7.637 5.127 4.325
213 3HG2 VAL 32 HG23 VAL 32 6.999 3.488 4.441
214 H ARG 33 HN ARG 33 5.351 6.589 6.172
215 HA ARG 33 HA ARG 33 3.701 5.989 3.740
216 1HB ARG 33 HB2 ARG 33 2.820 6.940 6.166
217 2HB ARG 33 HB1 ARG 33 3.067 8.432 5.255
218 1HG ARG 33 HG2 ARG 33 1.872 6.725 3.410
219 2HG ARG 33 HG1 ARG 33 1.019 6.377 4.913
220 1HD ARG 33 HD2 ARG 33 0.600 8.819 5.215
221 2HD ARG 33 HD1 ARG 33 1.375 9.115 3.646
222 HE ARG 33 HE ARG 33 -1.261 7.912 4.042
223 1HH1 ARG 33 HH21 ARG 33 1.556 8.115 2.053
224 2HH1 ARG 33 HH22 ARG 33 0.717 7.696 0.598
225 1HH2 ARG 33 HH11 ARG 33 -2.369 7.382 2.147
226 2HH2 ARG 33 HH12 ARG 33 -1.503 7.281 0.651
227 H SER 34 HN SER 34 3.407 8.139 2.447
228 HA SER 34 HA SER 34 5.686 8.958 1.172
229 1HB SER 34 HB2 SER 34 3.282 10.617 1.990
230 2HB SER 34 HB1 SER 34 4.428 11.096 0.742
231 HG SER 34 HG SER 34 2.436 9.874 0.117
232 H GLU 35 HN GLU 35 4.393 10.528 4.127
233 HA GLU 35 HA GLU 35 6.241 12.585 4.484
234 1HB GLU 35 HB2 GLU 35 4.424 10.968 6.068
235 2HB GLU 35 HB1 GLU 35 5.854 11.395 7.011
236 1HG GLU 35 HG2 GLU 35 5.080 13.491 7.263
237 2HG GLU 35 HG1 GLU 35 5.044 13.695 5.511
238 H GLU 36 HN GLU 36 6.731 9.122 4.875
239 HA GLU 36 HA GLU 36 9.478 9.579 5.953
240 1HB GLU 36 HB2 GLU 36 7.542 7.270 5.785
241 2HB GLU 36 HB1 GLU 36 9.247 6.986 6.137
242 1HG GLU 36 HG2 GLU 36 8.024 9.163 7.709
243 2HG GLU 36 HG1 GLU 36 7.364 7.560 8.039
244 H CYS 37 HN CYS 37 7.821 7.669 3.409
245 HA CYS 37 HA CYS 37 10.355 7.142 2.015
246 1HB CYS 37 HB2 CYS 37 7.589 6.236 2.045
247 2HB CYS 37 HB1 CYS 37 8.160 6.477 0.394
248 H LEU 38 HN LEU 38 11.182 9.077 1.160
249 HA LEU 38 HA LEU 38 9.406 10.976 -0.232
250 1HB LEU 38 HB2 LEU 38 11.925 10.962 1.099
251 2HB LEU 38 HB1 LEU 38 12.216 11.479 -0.562
252 HG LEU 38 HG LEU 38 10.254 12.684 1.406
253 1HD1 LEU 38 HD11 LEU 38 12.650 13.833 -0.059
254 2HD1 LEU 38 HD12 LEU 38 12.624 13.373 1.644
255 3HD1 LEU 38 HD13 LEU 38 11.617 14.705 1.074
256 1HD2 LEU 38 HD21 LEU 38 9.031 13.320 -0.380
257 2HD2 LEU 38 HD22 LEU 38 10.185 12.570 -1.483
258 3HD2 LEU 38 HD23 LEU 38 10.427 14.235 -0.951
259 H SER 39 HN SER 39 10.560 8.065 -1.136
260 HA SER 39 HA SER 39 11.825 8.638 -3.685
261 1HB SER 39 HB2 SER 39 11.117 6.129 -3.966
262 2HB SER 39 HB1 SER 39 12.294 6.544 -2.724
263 HG SER 39 HG SER 39 10.920 5.835 -1.316
264 H GLY 40 HN GLY 40 8.539 8.537 -2.575
265 1HA GLY 40 HA2 GLY 40 6.679 9.367 -3.851
266 2HA GLY 40 HA1 GLY 40 7.609 9.108 -5.328
267 H THR 41 HN THR 41 7.868 6.460 -3.248
268 HA THR 41 HA THR 41 5.721 5.010 -4.764
269 HB THR 41 HB THR 41 8.094 4.488 -5.365
270 HG1 THR 41 HG1 THR 41 6.472 2.562 -4.098
271 1HG2 THR 41 HG21 THR 41 8.279 3.399 -2.548
272 2HG2 THR 41 HG22 THR 41 8.962 4.948 -3.039
273 3HG2 THR 41 HG23 THR 41 9.559 3.453 -3.759
274 H TRP 42 HN TRP 42 4.130 4.238 -3.450
275 HA TRP 42 HA TRP 42 4.824 3.407 -0.660
276 1HB TRP 42 HB2 TRP 42 3.974 5.738 -0.693
277 2HB TRP 42 HB1 TRP 42 2.529 5.192 -1.542
278 HD1 TRP 42 HD1 TRP 42 4.380 4.549 1.787
279 HE1 TRP 42 HE1 TRP 42 2.621 3.981 3.584
280 HE3 TRP 42 HE3 TRP 42 0.160 4.552 -1.087
281 HZ2 TRP 42 HZ2 TRP 42 -0.213 3.582 3.773
282 HZ3 TRP 42 HZ3 TRP 42 -2.053 4.076 -0.077
283 HH2 TRP 42 HH2 TRP 42 -2.245 3.591 2.347
284 H THR 43 HN THR 43 3.870 1.432 -0.180
285 HA THR 43 HA THR 43 1.571 0.562 -1.904
286 HB THR 43 HB THR 43 3.591 -0.533 -2.647
287 HG1 THR 43 HG1 THR 43 3.086 -2.741 -1.600
288 1HG2 THR 43 HG21 THR 43 4.929 -0.054 -0.615
289 2HG2 THR 43 HG22 THR 43 5.058 -1.743 -1.102
290 3HG2 THR 43 HG23 THR 43 4.026 -1.294 0.255
291 H GLN 44 HN GLN 44 0.087 -0.906 -0.872
292 HA GLN 44 HA GLN 44 0.385 -1.232 2.083
293 1HB GLN 44 HB2 GLN 44 -2.053 -0.505 2.210
294 2HB GLN 44 HB1 GLN 44 -0.915 0.772 1.781
295 1HG GLN 44 HG2 GLN 44 -2.686 1.007 0.223
296 2HG GLN 44 HG1 GLN 44 -1.424 0.161 -0.670
297 1HE2 GLN 44 HE21 GLN 44 -4.025 -0.863 1.629
298 2HE2 GLN 44 HE22 GLN 44 -4.595 -2.123 0.645
299 H GLN 45 HN GLN 45 0.610 -3.097 -0.215
300 HA GLN 45 HA GLN 45 -1.431 -5.071 0.679
301 1HB GLN 45 HB2 GLN 45 -2.110 -3.656 -1.385
302 2HB GLN 45 HB1 GLN 45 -0.868 -4.567 -2.246
303 1HG GLN 45 HG2 GLN 45 -3.076 -5.639 -2.496
304 2HG GLN 45 HG1 GLN 45 -1.967 -6.680 -1.603
305 1HE2 GLN 45 HE21 GLN 45 -3.401 -7.753 -0.180
306 2HE2 GLN 45 HE22 GLN 45 -4.417 -6.951 0.917
307 H ILE 46 HN ILE 46 0.070 -6.556 1.490
308 HA ILE 46 HA ILE 46 1.933 -7.776 -0.484
309 HB ILE 46 HB ILE 46 3.270 -6.063 0.556
310 1HG1 ILE 46 HG12 ILE 46 4.252 -8.083 2.390
311 2HG1 ILE 46 HG11 ILE 46 3.804 -8.815 0.850
312 1HG2 ILE 46 HG21 ILE 46 2.391 -7.157 3.241
313 2HG2 ILE 46 HG22 ILE 46 1.660 -5.744 2.480
314 3HG2 ILE 46 HG23 ILE 46 3.362 -5.715 2.943
315 1HD1 ILE 46 HD11 ILE 46 5.774 -6.577 1.340
316 2HD1 ILE 46 HD12 ILE 46 5.121 -6.917 -0.262
317 3HD1 ILE 46 HD13 ILE 46 6.070 -8.141 0.581
318 H CYS 47 HN CYS 47 0.510 -7.847 2.779
319 HA CYS 47 HA CYS 47 0.679 -10.842 2.680
320 1HB CYS 47 HB2 CYS 47 0.844 -10.560 5.240
321 2HB CYS 47 HB1 CYS 47 2.260 -10.093 4.299
322 H LEU 48 HN LEU 48 -1.060 -11.899 4.004
323 HA LEU 48 HA LEU 48 -3.616 -10.401 3.727
324 1HB LEU 48 HB2 LEU 48 -2.653 -13.172 3.582
325 2HB LEU 48 HB1 LEU 48 -4.162 -13.013 4.481
326 HG LEU 48 HG LEU 48 -4.826 -11.450 2.446
327 1HD1 LEU 48 HD11 LEU 48 -2.429 -11.816 1.527
328 2HD1 LEU 48 HD12 LEU 48 -3.775 -11.952 0.395
329 3HD1 LEU 48 HD13 LEU 48 -3.014 -13.406 1.040
330 1HD2 LEU 48 HD21 LEU 48 -6.206 -13.294 2.762
331 2HD2 LEU 48 HD22 LEU 48 -4.865 -14.436 2.718
332 3HD2 LEU 48 HD23 LEU 48 -5.460 -13.717 1.222
Start of MODEL 6
1 1H GLY 1 HT1 GLY 1 -4.995 -5.700 19.528
2 2H GLY 1 HT2 GLY 1 -5.501 -4.469 18.472
3 3H GLY 1 HT3 GLY 1 -6.171 -6.026 18.349
4 1HA GLY 1 HA2 GLY 1 -7.504 -5.777 20.172
5 2HA GLY 1 HA1 GLY 1 -6.429 -4.574 20.887
6 H SER 2 HN SER 2 -6.687 -2.401 20.322
7 HA SER 2 HA SER 2 -9.184 -1.773 18.820
8 1HB SER 2 HB2 SER 2 -7.376 -0.142 20.633
9 2HB SER 2 HB1 SER 2 -8.898 0.425 19.953
10 HG SER 2 HG SER 2 -8.634 -1.917 21.535
11 H ALA 3 HN ALA 3 -5.720 -1.543 18.616
12 HA ALA 3 HA ALA 3 -4.316 -0.705 16.913
13 1HB ALA 3 HB1 ALA 3 -5.303 -0.792 14.696
14 2HB ALA 3 HB2 ALA 3 -6.926 -0.665 15.373
15 3HB ALA 3 HB3 ALA 3 -5.971 -2.121 15.646
16 H MET 4 HN MET 4 -3.657 1.362 17.462
17 HA MET 4 HA MET 4 -5.434 3.616 16.605
18 1HB MET 4 HB2 MET 4 -3.864 3.249 19.175
19 2HB MET 4 HB1 MET 4 -4.586 4.783 18.688
20 1HG MET 4 HG2 MET 4 -6.723 4.065 19.098
21 2HG MET 4 HG1 MET 4 -6.371 2.410 18.602
22 1HE MET 4 HE1 MET 4 -7.952 3.558 21.671
23 2HE MET 4 HE2 MET 4 -7.001 4.861 20.962
24 3HE MET 4 HE3 MET 4 -6.623 4.287 22.584
25 H GLY 5 HN GLY 5 -3.182 2.400 15.183
26 1HA GLY 5 HA2 GLY 5 -1.819 4.480 14.087
27 2HA GLY 5 HA1 GLY 5 -0.900 4.213 15.569
28 H CYS 6 HN CYS 6 -0.899 3.457 12.378
29 HA CYS 6 HA CYS 6 -0.114 0.630 12.594
30 1HB CYS 6 HB2 CYS 6 0.273 0.942 10.130
31 2HB CYS 6 HB1 CYS 6 -1.342 1.421 10.647
32 H ARG 7 HN ARG 7 1.462 3.773 12.380
33 HA ARG 7 HA ARG 7 4.080 2.949 11.625
34 1HB ARG 7 HB2 ARG 7 2.762 5.273 12.258
35 2HB ARG 7 HB1 ARG 7 3.835 5.092 13.645
36 1HG ARG 7 HG2 ARG 7 5.764 5.218 12.343
37 2HG ARG 7 HG1 ARG 7 4.928 4.696 10.879
38 1HD ARG 7 HD2 ARG 7 3.586 6.933 11.139
39 2HD ARG 7 HD1 ARG 7 4.950 7.422 12.164
40 HE ARG 7 HE ARG 7 6.300 6.448 10.053
41 1HH1 ARG 7 HH21 ARG 7 3.254 7.103 9.087
42 2HH1 ARG 7 HH22 ARG 7 3.630 8.448 8.062
43 1HH2 ARG 7 HH11 ARG 7 6.889 8.748 9.207
44 2HH2 ARG 7 HH12 ARG 7 5.688 9.380 8.131
45 H HIS 8 HN HIS 8 2.289 2.289 14.475
46 HA HIS 8 HA HIS 8 4.760 1.716 16.048
47 1HB HIS 8 HB2 HIS 8 3.473 2.740 17.611
48 2HB HIS 8 HB1 HIS 8 2.069 2.700 16.553
49 HD1 HIS 8 HD1 HIS 8 3.632 0.979 19.453
50 HD2 HIS 8 HD2 HIS 8 0.422 0.336 16.872
51 HE1 HIS 8 HE1 HIS 8 2.220 -0.840 20.506
52 H PHE 9 HN PHE 9 2.314 0.204 14.172
53 HA PHE 9 HA PHE 9 1.877 -2.292 15.379
54 1HB PHE 9 HB2 PHE 9 2.246 -1.369 12.524
55 2HB PHE 9 HB1 PHE 9 1.798 -3.031 12.899
56 HD1 PHE 9 HD1 PHE 9 0.477 -1.107 15.502
57 HD2 PHE 9 HD2 PHE 9 -0.163 -1.960 11.343
58 HE1 PHE 9 HE1 PHE 9 -1.896 -0.425 15.722
59 HE2 PHE 9 HE2 PHE 9 -2.535 -1.279 11.563
60 HZ PHE 9 HZ PHE 9 -3.401 -0.509 13.756
61 H GLN 10 HN GLN 10 2.931 -4.377 14.103
62 HA GLN 10 HA GLN 10 5.821 -4.257 14.799
63 1HB GLN 10 HB2 GLN 10 3.752 -6.023 15.309
64 2HB GLN 10 HB1 GLN 10 4.622 -6.819 13.996
65 1HG GLN 10 HG2 GLN 10 6.720 -6.658 15.240
66 2HG GLN 10 HG1 GLN 10 5.912 -5.769 16.533
67 1HE2 GLN 10 HE21 GLN 10 5.698 -7.181 18.276
68 2HE2 GLN 10 HE22 GLN 10 5.165 -8.789 18.165
69 H SER 11 HN SER 11 4.021 -6.079 12.292
70 HA SER 11 HA SER 11 6.163 -5.286 10.342
71 1HB SER 11 HB2 SER 11 5.754 -7.524 9.356
72 2HB SER 11 HB1 SER 11 6.213 -7.643 11.051
73 HG SER 11 HG SER 11 4.032 -8.560 9.889
74 H CYS 12 HN CYS 12 4.592 -6.672 8.210
75 HA CYS 12 HA CYS 12 2.877 -4.403 7.505
76 1HB CYS 12 HB2 CYS 12 2.913 -5.380 5.338
77 2HB CYS 12 HB1 CYS 12 4.500 -5.741 6.012
78 H SER 13 HN SER 13 2.465 -7.448 9.029
79 HA SER 13 HA SER 13 -0.046 -8.359 8.197
80 1HB SER 13 HB2 SER 13 1.631 -8.413 10.622
81 2HB SER 13 HB1 SER 13 -0.079 -8.707 10.924
82 HG SER 13 HG SER 13 1.633 -10.068 9.111
83 H GLN 14 HN GLN 14 0.459 -6.166 10.996
84 HA GLN 14 HA GLN 14 -2.370 -5.377 10.966
85 1HB GLN 14 HB2 GLN 14 -0.691 -5.711 12.942
86 2HB GLN 14 HB1 GLN 14 -0.140 -4.086 12.533
87 1HG GLN 14 HG2 GLN 14 -1.818 -3.379 13.886
88 2HG GLN 14 HG1 GLN 14 -2.878 -3.779 12.534
89 1HE2 GLN 14 HE21 GLN 14 -1.115 -5.942 14.814
90 2HE2 GLN 14 HE22 GLN 14 -2.505 -6.753 15.353
91 H CYS 15 HN CYS 15 0.733 -4.046 9.949
92 HA CYS 15 HA CYS 15 0.041 -1.323 9.592
93 1HB CYS 15 HB2 CYS 15 2.055 -3.256 8.715
94 2HB CYS 15 HB1 CYS 15 1.760 -2.006 7.505
95 H LEU 16 HN LEU 16 -0.793 -4.156 7.691
96 HA LEU 16 HA LEU 16 -2.090 -2.393 5.644
97 1HB LEU 16 HB2 LEU 16 -0.855 -5.134 5.666
98 2HB LEU 16 HB1 LEU 16 -2.059 -4.737 4.437
99 HG LEU 16 HG LEU 16 -0.676 -2.643 3.956
100 1HD1 LEU 16 HD11 LEU 16 1.840 -3.234 4.604
101 2HD1 LEU 16 HD12 LEU 16 1.049 -4.065 5.943
102 3HD1 LEU 16 HD13 LEU 16 0.800 -2.334 5.709
103 1HD2 LEU 16 HD21 LEU 16 1.143 -4.875 3.340
104 2HD2 LEU 16 HD22 LEU 16 0.264 -3.807 2.245
105 3HD2 LEU 16 HD23 LEU 16 -0.545 -5.208 2.950
106 H SER 17 HN SER 17 -2.694 -4.607 8.222
107 HA SER 17 HA SER 17 -5.321 -5.502 7.272
108 1HB SER 17 HB2 SER 17 -3.806 -6.829 8.738
109 2HB SER 17 HB1 SER 17 -3.996 -5.614 9.999
110 HG SER 17 HG SER 17 -6.217 -6.878 8.794
111 H ALA 18 HN ALA 18 -4.115 -2.670 8.771
112 HA ALA 18 HA ALA 18 -6.911 -1.848 9.425
113 1HB ALA 18 HB1 ALA 18 -4.482 -1.970 11.206
114 2HB ALA 18 HB2 ALA 18 -6.106 -2.583 11.518
115 3HB ALA 18 HB3 ALA 18 -5.797 -0.847 11.553
116 HA PRO 19 HA PRO 19 -4.227 1.373 7.357
117 1HB PRO 19 HB2 PRO 19 -5.586 1.515 4.981
118 2HB PRO 19 HB1 PRO 19 -4.195 0.452 5.262
119 1HG PRO 19 HG2 PRO 19 -7.080 -0.198 5.175
120 2HG PRO 19 HG1 PRO 19 -5.686 -1.169 4.697
121 1HD PRO 19 HD2 PRO 19 -7.095 -1.497 7.053
122 2HD PRO 19 HD1 PRO 19 -5.435 -2.060 6.770
123 HA PRO 20 HA PRO 20 -8.379 3.758 7.192
124 1HB PRO 20 HB2 PRO 20 -10.527 2.624 8.439
125 2HB PRO 20 HB1 PRO 20 -10.186 2.391 6.714
126 1HG PRO 20 HG2 PRO 20 -9.725 0.560 8.998
127 2HG PRO 20 HG1 PRO 20 -10.177 0.194 7.328
128 1HD PRO 20 HD2 PRO 20 -7.642 -0.081 8.373
129 2HD PRO 20 HD1 PRO 20 -8.022 0.081 6.649
130 H PHE 21 HN PHE 21 -7.737 1.634 9.949
131 HA PHE 21 HA PHE 21 -8.483 3.689 11.926
132 1HB PHE 21 HB2 PHE 21 -6.996 1.103 12.414
133 2HB PHE 21 HB1 PHE 21 -8.126 1.933 13.484
134 HD1 PHE 21 HD1 PHE 21 -7.822 -0.860 11.493
135 HD2 PHE 21 HD2 PHE 21 -10.509 2.423 12.163
136 HE1 PHE 21 HE1 PHE 21 -9.687 -2.195 10.552
137 HE2 PHE 21 HE2 PHE 21 -12.375 1.087 11.221
138 HZ PHE 21 HZ PHE 21 -11.964 -1.222 10.416
139 H VAL 22 HN VAL 22 -5.883 3.366 9.927
140 HA VAL 22 HA VAL 22 -4.053 4.629 11.935
141 HB VAL 22 HB VAL 22 -2.260 3.257 11.115
142 1HG1 VAL 22 HG11 VAL 22 -3.271 0.914 11.354
143 2HG1 VAL 22 HG12 VAL 22 -4.831 1.717 11.520
144 3HG1 VAL 22 HG13 VAL 22 -3.554 2.026 12.694
145 1HG2 VAL 22 HG21 VAL 22 -4.122 2.901 8.833
146 2HG2 VAL 22 HG22 VAL 22 -3.165 1.483 9.265
147 3HG2 VAL 22 HG23 VAL 22 -2.362 2.995 8.843
148 H GLN 23 HN GLN 23 -1.940 5.150 10.162
149 HA GLN 23 HA GLN 23 -3.181 6.757 7.959
150 1HB GLN 23 HB2 GLN 23 -2.944 8.318 9.723
151 2HB GLN 23 HB1 GLN 23 -1.418 7.613 10.254
152 1HG GLN 23 HG2 GLN 23 -0.207 8.583 8.495
153 2HG GLN 23 HG1 GLN 23 -1.649 8.818 7.505
154 1HE2 GLN 23 HE21 GLN 23 -1.821 9.635 10.911
155 2HE2 GLN 23 HE22 GLN 23 -1.807 11.321 10.706
156 H CYS 24 HN CYS 24 -0.080 5.702 9.414
157 HA CYS 24 HA CYS 24 1.519 6.104 7.072
158 1HB CYS 24 HB2 CYS 24 3.183 5.035 8.367
159 2HB CYS 24 HB1 CYS 24 2.100 5.703 9.582
160 H GLY 25 HN GLY 25 2.672 4.113 6.034
161 1HA GLY 25 HA2 GLY 25 0.918 1.770 5.650
162 2HA GLY 25 HA1 GLY 25 1.188 2.778 4.225
163 H TRP 26 HN TRP 26 2.114 0.396 3.752
164 HA TRP 26 HA TRP 26 4.888 0.051 4.737
165 1HB TRP 26 HB2 TRP 26 3.045 -1.731 4.330
166 2HB TRP 26 HB1 TRP 26 3.418 -1.532 2.621
167 HD1 TRP 26 HD1 TRP 26 5.523 -2.696 1.701
168 HE1 TRP 26 HE1 TRP 26 7.360 -4.180 2.738
169 HE3 TRP 26 HE3 TRP 26 4.463 -2.076 6.652
170 HZ2 TRP 26 HZ2 TRP 26 8.262 -4.992 5.327
171 HZ3 TRP 26 HZ3 TRP 26 5.820 -3.217 8.386
172 HH2 TRP 26 HH2 TRP 26 7.716 -4.674 7.730
173 H CYS 27 HN CYS 27 6.708 0.580 3.484
174 HA CYS 27 HA CYS 27 6.246 1.306 0.621
175 1HB CYS 27 HB2 CYS 27 6.057 3.380 1.768
176 2HB CYS 27 HB1 CYS 27 7.388 2.988 2.855
177 H HIS 28 HN HIS 28 7.479 -0.402 -0.156
178 HA HIS 28 HA HIS 28 9.419 -1.527 -0.834
179 1HB HIS 28 HB2 HIS 28 9.881 1.029 -1.062
180 2HB HIS 28 HB1 HIS 28 10.972 0.777 0.300
181 HD1 HIS 28 HD1 HIS 28 10.753 0.398 -3.331
182 HD2 HIS 28 HD2 HIS 28 13.002 -1.320 -0.272
183 HE1 HIS 28 HE1 HIS 28 12.719 -0.746 -4.444
184 H ASP 29 HN ASP 29 8.938 -0.966 2.521
185 HA ASP 29 HA ASP 29 10.357 -3.261 3.342
186 1HB ASP 29 HB2 ASP 29 12.423 -2.429 2.712
187 2HB ASP 29 HB1 ASP 29 11.966 -0.756 3.019
188 H LYS 30 HN LYS 30 10.426 0.087 4.662
189 HA LYS 30 HA LYS 30 9.429 -0.979 7.240
190 1HB LYS 30 HB2 LYS 30 11.309 0.860 6.536
191 2HB LYS 30 HB1 LYS 30 9.928 1.916 6.838
192 1HG LYS 30 HG2 LYS 30 9.653 1.028 9.072
193 2HG LYS 30 HG1 LYS 30 10.876 -0.209 8.779
194 1HD LYS 30 HD2 LYS 30 12.532 1.209 9.336
195 2HD LYS 30 HD1 LYS 30 11.945 2.416 8.191
196 1HE LYS 30 HE2 LYS 30 11.050 3.654 9.865
197 2HE LYS 30 HE1 LYS 30 10.200 2.241 10.523
198 1HZ LYS 30 HZ1 LYS 30 12.558 1.521 11.235
199 2HZ LYS 30 HZ2 LYS 30 11.746 2.689 12.164
200 3HZ LYS 30 HZ3 LYS 30 12.950 3.162 11.062
201 H CYS 31 HN CYS 31 7.667 0.225 8.362
202 HA CYS 31 HA CYS 31 5.436 0.772 6.497
203 1HB CYS 31 HB2 CYS 31 5.556 -0.653 8.738
204 2HB CYS 31 HB1 CYS 31 5.266 0.916 9.490
205 H VAL 32 HN VAL 32 5.597 2.853 5.711
206 HA VAL 32 HA VAL 32 5.479 5.071 7.686
207 HB VAL 32 HB VAL 32 7.292 6.240 6.513
208 1HG1 VAL 32 HG11 VAL 32 8.061 3.374 7.153
209 2HG1 VAL 32 HG12 VAL 32 7.876 4.663 8.343
210 3HG1 VAL 32 HG13 VAL 32 9.151 4.761 7.129
211 1HG2 VAL 32 HG21 VAL 32 6.642 4.382 4.454
212 2HG2 VAL 32 HG22 VAL 32 8.318 4.083 4.915
213 3HG2 VAL 32 HG23 VAL 32 7.820 5.692 4.393
214 H ARG 33 HN ARG 33 5.066 7.198 6.340
215 HA ARG 33 HA ARG 33 3.080 6.508 4.207
216 1HB ARG 33 HB2 ARG 33 2.582 7.692 6.512
217 2HB ARG 33 HB1 ARG 33 3.206 9.117 5.684
218 1HG ARG 33 HG2 ARG 33 1.534 8.173 3.774
219 2HG ARG 33 HG1 ARG 33 0.692 7.613 5.217
220 1HD ARG 33 HD2 ARG 33 -0.117 9.708 5.504
221 2HD ARG 33 HD1 ARG 33 1.545 10.287 5.733
222 HE ARG 33 HE ARG 33 1.586 10.967 3.454
223 1HH1 ARG 33 HH11 ARG 33 -1.231 11.726 3.625
224 2HH1 ARG 33 HH12 ARG 33 -1.978 10.804 2.362
225 1HH2 ARG 33 HH21 ARG 33 0.669 8.586 2.054
226 2HH2 ARG 33 HH22 ARG 33 -0.902 9.028 1.474
227 H SER 34 HN SER 34 2.859 8.235 2.501
228 HA SER 34 HA SER 34 5.022 8.649 0.885
229 1HB SER 34 HB2 SER 34 3.772 10.841 0.268
230 2HB SER 34 HB1 SER 34 2.878 9.329 0.155
231 HG SER 34 HG SER 34 2.426 11.472 1.715
232 H GLU 35 HN GLU 35 4.358 10.413 3.861
233 HA GLU 35 HA GLU 35 6.077 12.647 3.533
234 1HB GLU 35 HB2 GLU 35 4.544 11.331 5.551
235 2HB GLU 35 HB1 GLU 35 6.143 11.657 6.224
236 1HG GLU 35 HG2 GLU 35 5.769 14.022 5.075
237 2HG GLU 35 HG1 GLU 35 4.070 13.582 5.243
238 H GLU 36 HN GLU 36 6.804 9.309 4.554
239 HA GLU 36 HA GLU 36 9.712 10.053 4.576
240 1HB GLU 36 HB2 GLU 36 7.980 8.770 6.464
241 2HB GLU 36 HB1 GLU 36 9.189 7.598 5.936
242 1HG GLU 36 HG2 GLU 36 10.974 8.885 6.716
243 2HG GLU 36 HG1 GLU 36 10.050 10.386 6.647
244 H CYS 37 HN CYS 37 7.332 8.229 2.941
245 HA CYS 37 HA CYS 37 8.925 5.938 2.164
246 1HB CYS 37 HB2 CYS 37 6.474 5.993 2.091
247 2HB CYS 37 HB1 CYS 37 6.519 7.316 0.926
248 H LEU 38 HN LEU 38 10.964 6.876 1.477
249 HA LEU 38 HA LEU 38 11.056 8.835 -0.690
250 1HB LEU 38 HB2 LEU 38 12.805 7.523 1.224
251 2HB LEU 38 HB1 LEU 38 13.546 7.569 -0.376
252 HG LEU 38 HG LEU 38 13.984 9.601 1.098
253 1HD1 LEU 38 HD11 LEU 38 14.451 9.919 -1.182
254 2HD1 LEU 38 HD12 LEU 38 13.291 11.203 -0.845
255 3HD1 LEU 38 HD13 LEU 38 12.762 9.727 -1.652
256 1HD2 LEU 38 HD21 LEU 38 12.248 10.761 1.955
257 2HD2 LEU 38 HD22 LEU 38 11.186 9.475 1.381
258 3HD2 LEU 38 HD23 LEU 38 11.486 10.890 0.371
259 H SER 39 HN SER 39 10.214 5.641 -0.727
260 HA SER 39 HA SER 39 11.821 4.614 -2.906
261 1HB SER 39 HB2 SER 39 10.593 2.734 -2.473
262 2HB SER 39 HB1 SER 39 10.045 3.635 -1.061
263 HG SER 39 HG SER 39 8.332 2.786 -2.394
264 H GLY 40 HN GLY 40 9.053 6.713 -2.704
265 1HA GLY 40 HA2 GLY 40 8.452 8.117 -4.609
266 2HA GLY 40 HA1 GLY 40 8.981 6.820 -5.681
267 H THR 41 HN THR 41 7.521 4.913 -3.715
268 HA THR 41 HA THR 41 4.719 5.558 -4.539
269 HB THR 41 HB THR 41 5.873 4.056 -6.179
270 HG1 THR 41 HG1 THR 41 4.062 2.409 -4.858
271 1HG2 THR 41 HG21 THR 41 5.888 1.994 -3.978
272 2HG2 THR 41 HG22 THR 41 7.295 3.005 -4.307
273 3HG2 THR 41 HG23 THR 41 6.678 1.920 -5.553
274 H TRP 42 HN TRP 42 3.604 5.618 -2.646
275 HA TRP 42 HA TRP 42 4.449 3.999 -0.316
276 1HB TRP 42 HB2 TRP 42 3.847 6.351 -0.047
277 2HB TRP 42 HB1 TRP 42 2.293 6.076 -0.834
278 HD1 TRP 42 HD1 TRP 42 4.221 5.077 2.346
279 HE1 TRP 42 HE1 TRP 42 2.504 4.533 4.186
280 HE3 TRP 42 HE3 TRP 42 -0.102 5.477 -0.337
281 HZ2 TRP 42 HZ2 TRP 42 -0.335 4.292 4.484
282 HZ3 TRP 42 HZ3 TRP 42 -2.295 5.088 0.745
283 HH2 TRP 42 HH2 TRP 42 -2.420 4.495 3.150
284 H THR 43 HN THR 43 3.493 1.999 0.095
285 HA THR 43 HA THR 43 0.851 1.471 -1.232
286 HB THR 43 HB THR 43 2.845 0.313 -2.206
287 HG1 THR 43 HG1 THR 43 1.626 -1.370 -2.529
288 1HG2 THR 43 HG21 THR 43 3.105 -0.542 0.646
289 2HG2 THR 43 HG22 THR 43 4.363 -0.139 -0.523
290 3HG2 THR 43 HG23 THR 43 3.545 -1.699 -0.609
291 H GLN 44 HN GLN 44 -0.432 -0.248 -0.121
292 HA GLN 44 HA GLN 44 0.149 -0.586 2.778
293 1HB GLN 44 HB2 GLN 44 -2.244 0.173 3.207
294 2HB GLN 44 HB1 GLN 44 -1.143 1.447 2.684
295 1HG GLN 44 HG2 GLN 44 -1.960 0.812 0.278
296 2HG GLN 44 HG1 GLN 44 -3.323 0.081 1.126
297 1HE2 GLN 44 HE21 GLN 44 -3.690 1.902 3.248
298 2HE2 GLN 44 HE22 GLN 44 -4.120 3.420 2.621
299 H GLN 45 HN GLN 45 -0.116 -2.248 0.208
300 HA GLN 45 HA GLN 45 -1.696 -4.425 1.422
301 1HB GLN 45 HB2 GLN 45 -3.081 -4.560 -0.715
302 2HB GLN 45 HB1 GLN 45 -3.427 -3.167 0.311
303 1HG GLN 45 HG2 GLN 45 -2.637 -1.688 -1.223
304 2HG GLN 45 HG1 GLN 45 -1.264 -2.713 -1.638
305 1HE2 GLN 45 HE21 GLN 45 -4.531 -1.839 -2.547
306 2HE2 GLN 45 HE22 GLN 45 -4.629 -2.844 -3.911
307 H ILE 46 HN ILE 46 0.036 -5.864 1.288
308 HA ILE 46 HA ILE 46 0.888 -6.682 -1.434
309 HB ILE 46 HB ILE 46 2.468 -4.941 -0.810
310 1HG1 ILE 46 HG12 ILE 46 4.197 -7.194 -0.082
311 2HG1 ILE 46 HG11 ILE 46 3.159 -7.546 -1.464
312 1HG2 ILE 46 HG21 ILE 46 1.987 -5.116 1.660
313 2HG2 ILE 46 HG22 ILE 46 3.702 -4.989 1.271
314 3HG2 ILE 46 HG23 ILE 46 3.008 -6.553 1.699
315 1HD1 ILE 46 HD11 ILE 46 4.075 -5.840 -2.762
316 2HD1 ILE 46 HD12 ILE 46 5.486 -6.375 -1.847
317 3HD1 ILE 46 HD13 ILE 46 4.614 -4.923 -1.355
318 H CYS 47 HN CYS 47 1.020 -7.216 2.077
319 HA CYS 47 HA CYS 47 2.025 -9.940 1.876
320 1HB CYS 47 HB2 CYS 47 0.552 -8.520 4.122
321 2HB CYS 47 HB1 CYS 47 1.608 -9.924 4.282
322 H LEU 48 HN LEU 48 0.825 -11.784 1.564
323 HA LEU 48 HA LEU 48 -1.866 -11.772 0.682
324 1HB LEU 48 HB2 LEU 48 0.263 -13.575 1.084
325 2HB LEU 48 HB1 LEU 48 -1.096 -14.246 1.986
326 HG LEU 48 HG LEU 48 -2.499 -13.798 -0.121
327 1HD1 LEU 48 HD11 LEU 48 0.312 -13.437 -1.183
328 2HD1 LEU 48 HD12 LEU 48 -1.047 -12.322 -1.328
329 3HD1 LEU 48 HD13 LEU 48 -1.054 -13.844 -2.222
330 1HD2 LEU 48 HD21 LEU 48 -0.266 -15.840 -0.011
331 2HD2 LEU 48 HD22 LEU 48 -1.513 -15.870 -1.258
332 3HD2 LEU 48 HD23 LEU 48 -1.957 -16.062 0.438
Start of MODEL 7
1 1H GLY 1 HT1 GLY 1 -6.657 13.809 9.271
2 2H GLY 1 HT2 GLY 1 -5.207 13.961 8.399
3 3H GLY 1 HT3 GLY 1 -5.199 14.087 10.093
4 1HA GLY 1 HA2 GLY 1 -6.277 11.617 8.992
5 2HA GLY 1 HA1 GLY 1 -4.538 11.864 8.825
6 H SER 2 HN SER 2 -3.736 10.515 10.410
7 HA SER 2 HA SER 2 -4.780 10.925 13.192
8 1HB SER 2 HB2 SER 2 -5.232 8.701 12.491
9 2HB SER 2 HB1 SER 2 -3.676 8.554 11.679
10 HG SER 2 HG SER 2 -4.323 8.400 14.398
11 H ALA 3 HN ALA 3 -1.967 9.031 13.030
12 HA ALA 3 HA ALA 3 0.144 10.902 12.824
13 1HB ALA 3 HB1 ALA 3 -1.559 11.113 15.191
14 2HB ALA 3 HB2 ALA 3 -0.321 12.227 14.606
15 3HB ALA 3 HB3 ALA 3 0.132 10.855 15.619
16 H MET 4 HN MET 4 -0.763 8.631 15.442
17 HA MET 4 HA MET 4 1.583 6.933 14.652
18 1HB MET 4 HB2 MET 4 1.634 6.402 17.126
19 2HB MET 4 HB1 MET 4 1.975 8.091 16.746
20 1HG MET 4 HG2 MET 4 -0.161 8.807 17.444
21 2HG MET 4 HG1 MET 4 -0.835 7.179 17.350
22 1HE MET 4 HE1 MET 4 0.066 9.852 19.502
23 2HE MET 4 HE2 MET 4 1.757 9.486 19.170
24 3HE MET 4 HE3 MET 4 1.122 9.275 20.799
25 H GLY 5 HN GLY 5 -0.567 6.203 13.301
26 1HA GLY 5 HA2 GLY 5 -2.246 4.361 14.890
27 2HA GLY 5 HA1 GLY 5 -2.458 4.737 13.180
28 H CYS 6 HN CYS 6 -0.858 3.782 11.669
29 HA CYS 6 HA CYS 6 -0.212 1.018 12.487
30 1HB CYS 6 HB2 CYS 6 0.373 0.846 10.023
31 2HB CYS 6 HB1 CYS 6 -1.287 1.336 10.351
32 H ARG 7 HN ARG 7 1.397 4.046 12.198
33 HA ARG 7 HA ARG 7 4.058 3.161 11.576
34 1HB ARG 7 HB2 ARG 7 2.853 5.522 11.771
35 2HB ARG 7 HB1 ARG 7 3.469 5.454 13.421
36 1HG ARG 7 HG2 ARG 7 5.358 6.331 12.506
37 2HG ARG 7 HG1 ARG 7 5.671 4.667 12.010
38 1HD ARG 7 HD2 ARG 7 5.776 5.580 9.906
39 2HD ARG 7 HD1 ARG 7 4.005 5.527 9.998
40 HE ARG 7 HE ARG 7 5.269 7.899 11.211
41 1HH1 ARG 7 HH21 ARG 7 2.441 7.926 10.352
42 2HH1 ARG 7 HH22 ARG 7 2.507 8.758 8.833
43 1HH2 ARG 7 HH11 ARG 7 5.927 8.333 8.450
44 2HH2 ARG 7 HH12 ARG 7 4.481 8.987 7.756
45 H HIS 8 HN HIS 8 2.075 2.648 14.297
46 HA HIS 8 HA HIS 8 4.393 2.227 16.130
47 1HB HIS 8 HB2 HIS 8 2.896 3.362 17.422
48 2HB HIS 8 HB1 HIS 8 1.571 3.034 16.311
49 HD1 HIS 8 HD1 HIS 8 3.410 1.504 19.244
50 HD2 HIS 8 HD2 HIS 8 -0.082 0.883 17.049
51 HE1 HIS 8 HE1 HIS 8 2.081 -0.253 20.494
52 H PHE 9 HN PHE 9 2.096 0.566 14.162
53 HA PHE 9 HA PHE 9 1.699 -1.895 15.458
54 1HB PHE 9 HB2 PHE 9 2.131 -1.095 12.570
55 2HB PHE 9 HB1 PHE 9 1.640 -2.723 13.027
56 HD1 PHE 9 HD1 PHE 9 -0.252 -1.659 11.355
57 HD2 PHE 9 HD2 PHE 9 0.293 -0.681 15.498
58 HE1 PHE 9 HE1 PHE 9 -2.609 -0.912 11.484
59 HE2 PHE 9 HE2 PHE 9 -2.065 0.068 15.630
60 HZ PHE 9 HZ PHE 9 -3.518 -0.046 13.624
61 H GLN 10 HN GLN 10 2.869 -3.944 14.088
62 HA GLN 10 HA GLN 10 5.789 -3.608 14.699
63 1HB GLN 10 HB2 GLN 10 3.716 -5.641 15.285
64 2HB GLN 10 HB1 GLN 10 5.281 -6.292 14.799
65 1HG GLN 10 HG2 GLN 10 5.801 -4.164 16.608
66 2HG GLN 10 HG1 GLN 10 4.528 -5.152 17.328
67 1HE2 GLN 10 HE21 GLN 10 7.445 -5.932 15.335
68 2HE2 GLN 10 HE22 GLN 10 8.032 -7.113 16.403
69 H SER 11 HN SER 11 3.914 -6.072 12.917
70 HA SER 11 HA SER 11 5.877 -5.836 10.678
71 1HB SER 11 HB2 SER 11 3.818 -7.958 11.372
72 2HB SER 11 HB1 SER 11 5.057 -8.092 10.128
73 HG SER 11 HG SER 11 6.576 -7.685 11.917
74 H CYS 12 HN CYS 12 4.600 -6.577 8.490
75 HA CYS 12 HA CYS 12 2.825 -4.393 7.846
76 1HB CYS 12 HB2 CYS 12 2.824 -5.414 5.665
77 2HB CYS 12 HB1 CYS 12 4.431 -5.676 6.341
78 H SER 13 HN SER 13 2.243 -7.244 9.538
79 HA SER 13 HA SER 13 -0.239 -8.173 8.523
80 1HB SER 13 HB2 SER 13 1.447 -8.444 10.844
81 2HB SER 13 HB1 SER 13 -0.235 -8.338 11.357
82 HG SER 13 HG SER 13 -0.549 -10.250 10.558
83 H GLN 14 HN GLN 14 0.214 -5.975 11.337
84 HA GLN 14 HA GLN 14 -2.589 -5.176 11.292
85 1HB GLN 14 HB2 GLN 14 -1.005 -5.340 13.284
86 2HB GLN 14 HB1 GLN 14 -0.248 -3.860 12.693
87 1HG GLN 14 HG2 GLN 14 -1.815 -2.776 13.918
88 2HG GLN 14 HG1 GLN 14 -2.931 -3.218 12.626
89 1HE2 GLN 14 HE21 GLN 14 -2.034 -3.865 15.953
90 2HE2 GLN 14 HE22 GLN 14 -3.255 -5.001 16.264
91 H CYS 15 HN CYS 15 0.456 -3.821 10.097
92 HA CYS 15 HA CYS 15 -0.331 -1.165 9.562
93 1HB CYS 15 HB2 CYS 15 1.628 -3.147 8.551
94 2HB CYS 15 HB1 CYS 15 1.312 -1.782 7.481
95 H LEU 16 HN LEU 16 -1.076 -4.144 7.814
96 HA LEU 16 HA LEU 16 -2.591 -2.536 5.794
97 1HB LEU 16 HB2 LEU 16 -1.158 -5.172 5.830
98 2HB LEU 16 HB1 LEU 16 -2.478 -4.942 4.681
99 HG LEU 16 HG LEU 16 -1.341 -2.773 3.991
100 1HD1 LEU 16 HD11 LEU 16 1.307 -3.349 4.610
101 2HD1 LEU 16 HD12 LEU 16 0.448 -3.692 6.112
102 3HD1 LEU 16 HD13 LEU 16 0.320 -2.098 5.367
103 1HD2 LEU 16 HD21 LEU 16 -0.099 -3.876 2.362
104 2HD2 LEU 16 HD22 LEU 16 -1.123 -5.192 2.935
105 3HD2 LEU 16 HD23 LEU 16 0.540 -5.057 3.505
106 H SER 17 HN SER 17 -2.925 -4.696 8.466
107 HA SER 17 HA SER 17 -5.618 -5.638 7.695
108 1HB SER 17 HB2 SER 17 -3.893 -6.974 8.972
109 2HB SER 17 HB1 SER 17 -4.105 -5.858 10.318
110 HG SER 17 HG SER 17 -5.968 -7.647 9.160
111 H ALA 18 HN ALA 18 -4.314 -2.822 8.983
112 HA ALA 18 HA ALA 18 -6.956 -2.016 10.100
113 1HB ALA 18 HB1 ALA 18 -4.990 -2.904 11.708
114 2HB ALA 18 HB2 ALA 18 -6.067 -1.594 12.193
115 3HB ALA 18 HB3 ALA 18 -4.466 -1.228 11.548
116 HA PRO 19 HA PRO 19 -4.569 1.079 7.472
117 1HB PRO 19 HB2 PRO 19 -6.109 0.964 5.219
118 2HB PRO 19 HB1 PRO 19 -4.683 -0.055 5.486
119 1HG PRO 19 HG2 PRO 19 -7.557 -0.727 5.725
120 2HG PRO 19 HG1 PRO 19 -6.202 -1.726 5.189
121 1HD PRO 19 HD2 PRO 19 -7.367 -1.872 7.684
122 2HD PRO 19 HD1 PRO 19 -5.723 -2.421 7.295
123 HA PRO 20 HA PRO 20 -8.851 3.267 7.283
124 1HB PRO 20 HB2 PRO 20 -10.750 2.353 9.026
125 2HB PRO 20 HB1 PRO 20 -10.630 1.808 7.340
126 1HG PRO 20 HG2 PRO 20 -9.727 0.467 9.832
127 2HG PRO 20 HG1 PRO 20 -10.441 -0.228 8.370
128 1HD PRO 20 HD2 PRO 20 -7.783 -0.304 8.955
129 2HD PRO 20 HD1 PRO 20 -8.428 -0.371 7.304
130 H PHE 21 HN PHE 21 -7.607 1.879 10.287
131 HA PHE 21 HA PHE 21 -8.138 4.447 11.718
132 1HB PHE 21 HB2 PHE 21 -7.035 1.841 12.796
133 2HB PHE 21 HB1 PHE 21 -7.813 3.137 13.703
134 HD1 PHE 21 HD1 PHE 21 -8.416 -0.040 13.000
135 HD2 PHE 21 HD2 PHE 21 -10.163 3.773 12.076
136 HE1 PHE 21 HE1 PHE 21 -10.617 -1.130 12.669
137 HE2 PHE 21 HE2 PHE 21 -12.366 2.683 11.744
138 HZ PHE 21 HZ PHE 21 -12.592 0.230 12.040
139 H VAL 22 HN VAL 22 -5.968 3.980 9.632
140 HA VAL 22 HA VAL 22 -3.736 5.069 11.251
141 HB VAL 22 HB VAL 22 -2.222 3.314 10.533
142 1HG1 VAL 22 HG11 VAL 22 -4.793 1.988 11.425
143 2HG1 VAL 22 HG12 VAL 22 -3.735 2.892 12.511
144 3HG1 VAL 22 HG13 VAL 22 -3.147 1.431 11.722
145 1HG2 VAL 22 HG21 VAL 22 -3.260 1.345 9.244
146 2HG2 VAL 22 HG22 VAL 22 -2.959 2.821 8.327
147 3HG2 VAL 22 HG23 VAL 22 -4.592 2.441 8.878
148 H GLN 23 HN GLN 23 -1.894 5.759 9.722
149 HA GLN 23 HA GLN 23 -3.020 6.510 7.039
150 1HB GLN 23 HB2 GLN 23 -2.967 8.438 8.460
151 2HB GLN 23 HB1 GLN 23 -1.349 8.041 9.043
152 1HG GLN 23 HG2 GLN 23 -0.418 9.174 7.336
153 2HG GLN 23 HG1 GLN 23 -1.304 8.190 6.172
154 1HE2 GLN 23 HE21 GLN 23 -1.676 10.142 4.834
155 2HE2 GLN 23 HE22 GLN 23 -2.840 11.289 5.296
156 H CYS 24 HN CYS 24 -0.064 5.668 8.866
157 HA CYS 24 HA CYS 24 1.733 5.869 6.637
158 1HB CYS 24 HB2 CYS 24 3.287 4.962 8.139
159 2HB CYS 24 HB1 CYS 24 2.087 5.637 9.235
160 H GLY 25 HN GLY 25 2.700 4.047 5.445
161 1HA GLY 25 HA2 GLY 25 0.966 1.627 5.262
162 2HA GLY 25 HA1 GLY 25 1.315 2.550 3.800
163 H TRP 26 HN TRP 26 2.189 0.145 3.443
164 HA TRP 26 HA TRP 26 4.892 -0.256 4.579
165 1HB TRP 26 HB2 TRP 26 2.979 -1.973 4.008
166 2HB TRP 26 HB1 TRP 26 3.600 -1.844 2.364
167 HD1 TRP 26 HD1 TRP 26 5.830 -3.026 1.803
168 HE1 TRP 26 HE1 TRP 26 7.440 -4.536 3.136
169 HE3 TRP 26 HE3 TRP 26 3.959 -2.376 6.506
170 HZ2 TRP 26 HZ2 TRP 26 7.883 -5.350 5.841
171 HZ3 TRP 26 HZ3 TRP 26 4.987 -3.530 8.443
172 HH2 TRP 26 HH2 TRP 26 6.944 -5.020 8.117
173 H CYS 27 HN CYS 27 6.796 0.101 3.383
174 HA CYS 27 HA CYS 27 6.451 1.119 0.582
175 1HB CYS 27 HB2 CYS 27 7.044 2.533 2.935
176 2HB CYS 27 HB1 CYS 27 8.575 2.414 2.072
177 H HIS 28 HN HIS 28 7.375 -0.676 -0.431
178 HA HIS 28 HA HIS 28 9.037 -2.253 -1.035
179 1HB HIS 28 HB2 HIS 28 10.005 0.516 -0.907
180 2HB HIS 28 HB1 HIS 28 11.297 -0.682 -0.934
181 HD1 HIS 28 HD1 HIS 28 8.857 0.994 -3.094
182 HD2 HIS 28 HD2 HIS 28 11.064 -2.539 -3.232
183 HE1 HIS 28 HE1 HIS 28 8.785 0.198 -5.496
184 H ASP 29 HN ASP 29 8.669 -1.873 2.095
185 HA ASP 29 HA ASP 29 10.527 -3.815 2.920
186 1HB ASP 29 HB2 ASP 29 12.106 -2.094 4.147
187 2HB ASP 29 HB1 ASP 29 12.398 -2.527 2.464
188 H LYS 30 HN LYS 30 10.458 -0.802 4.759
189 HA LYS 30 HA LYS 30 9.052 -2.219 6.938
190 1HB LYS 30 HB2 LYS 30 11.172 -0.557 6.845
191 2HB LYS 30 HB1 LYS 30 9.899 0.629 7.128
192 1HG LYS 30 HG2 LYS 30 9.287 -0.328 9.182
193 2HG LYS 30 HG1 LYS 30 10.031 -1.877 8.788
194 1HD LYS 30 HD2 LYS 30 11.759 -1.137 10.066
195 2HD LYS 30 HD1 LYS 30 12.183 -0.181 8.646
196 1HE LYS 30 HE2 LYS 30 11.753 1.739 9.766
197 2HE LYS 30 HE1 LYS 30 10.122 1.172 10.173
198 1HZ LYS 30 HZ1 LYS 30 12.469 0.031 11.541
199 2HZ LYS 30 HZ2 LYS 30 10.859 0.120 12.075
200 3HZ LYS 30 HZ3 LYS 30 11.832 1.513 12.067
201 H CYS 31 HN CYS 31 7.474 -0.723 8.224
202 HA CYS 31 HA CYS 31 5.339 0.106 6.358
203 1HB CYS 31 HB2 CYS 31 5.119 -1.371 8.440
204 2HB CYS 31 HB1 CYS 31 5.362 0.097 9.386
205 H VAL 32 HN VAL 32 5.729 2.166 5.575
206 HA VAL 32 HA VAL 32 5.810 4.383 7.552
207 HB VAL 32 HB VAL 32 7.798 5.321 6.522
208 1HG1 VAL 32 HG11 VAL 32 9.439 3.623 7.107
209 2HG1 VAL 32 HG12 VAL 32 8.231 2.349 6.937
210 3HG1 VAL 32 HG13 VAL 32 8.094 3.527 8.244
211 1HG2 VAL 32 HG21 VAL 32 8.895 4.274 4.627
212 2HG2 VAL 32 HG22 VAL 32 7.201 4.524 4.206
213 3HG2 VAL 32 HG23 VAL 32 7.766 2.919 4.669
214 H ARG 33 HN ARG 33 5.702 6.545 6.201
215 HA ARG 33 HA ARG 33 3.934 6.095 3.820
216 1HB ARG 33 HB2 ARG 33 3.160 7.024 6.254
217 2HB ARG 33 HB1 ARG 33 3.601 8.541 5.466
218 1HG ARG 33 HG2 ARG 33 2.224 7.396 3.452
219 2HG ARG 33 HG1 ARG 33 1.403 6.644 4.820
220 1HD ARG 33 HD2 ARG 33 0.603 8.685 5.637
221 2HD ARG 33 HD1 ARG 33 1.889 9.616 4.843
222 HE ARG 33 HE ARG 33 -0.540 8.554 3.521
223 1HH1 ARG 33 HH21 ARG 33 1.738 8.026 1.704
224 2HH1 ARG 33 HH22 ARG 33 1.872 9.508 0.817
225 1HH2 ARG 33 HH11 ARG 33 -0.022 11.339 3.071
226 2HH2 ARG 33 HH12 ARG 33 0.876 11.382 1.590
227 H SER 34 HN SER 34 3.777 8.292 2.549
228 HA SER 34 HA SER 34 6.082 8.939 1.218
229 1HB SER 34 HB2 SER 34 3.493 10.067 1.662
230 2HB SER 34 HB1 SER 34 4.664 11.383 1.692
231 HG SER 34 HG SER 34 5.364 10.781 -0.324
232 H GLU 35 HN GLU 35 5.182 10.076 4.439
233 HA GLU 35 HA GLU 35 7.050 12.190 4.764
234 1HB GLU 35 HB2 GLU 35 5.800 10.146 6.613
235 2HB GLU 35 HB1 GLU 35 6.826 11.447 7.221
236 1HG GLU 35 HG2 GLU 35 4.760 12.349 5.328
237 2HG GLU 35 HG1 GLU 35 4.112 11.655 6.814
238 H GLU 36 HN GLU 36 7.413 8.677 5.248
239 HA GLU 36 HA GLU 36 10.283 9.031 5.918
240 1HB GLU 36 HB2 GLU 36 8.140 7.146 6.422
241 2HB GLU 36 HB1 GLU 36 9.562 6.309 5.800
242 1HG GLU 36 HG2 GLU 36 10.272 8.350 7.760
243 2HG GLU 36 HG1 GLU 36 9.174 7.142 8.431
244 H CYS 37 HN CYS 37 8.284 7.204 3.549
245 HA CYS 37 HA CYS 37 10.732 6.972 1.841
246 1HB CYS 37 HB2 CYS 37 9.549 5.070 0.834
247 2HB CYS 37 HB1 CYS 37 9.584 4.895 2.587
248 H LEU 38 HN LEU 38 10.281 9.307 1.228
249 HA LEU 38 HA LEU 38 7.908 9.805 -0.444
250 1HB LEU 38 HB2 LEU 38 8.744 12.060 -0.448
251 2HB LEU 38 HB1 LEU 38 9.043 11.421 1.168
252 HG LEU 38 HG LEU 38 11.297 10.692 -0.351
253 1HD1 LEU 38 HD11 LEU 38 11.385 13.579 -0.644
254 2HD1 LEU 38 HD12 LEU 38 10.073 12.889 -1.600
255 3HD1 LEU 38 HD13 LEU 38 11.728 12.329 -1.840
256 1HD2 LEU 38 HD21 LEU 38 10.635 12.011 2.056
257 2HD2 LEU 38 HD22 LEU 38 11.710 13.108 1.188
258 3HD2 LEU 38 HD23 LEU 38 12.232 11.462 1.549
259 H SER 39 HN SER 39 9.989 7.763 -1.291
260 HA SER 39 HA SER 39 11.498 8.881 -3.493
261 1HB SER 39 HB2 SER 39 11.548 6.593 -2.055
262 2HB SER 39 HB1 SER 39 10.663 6.023 -3.466
263 HG SER 39 HG SER 39 13.280 6.981 -3.237
264 H GLY 40 HN GLY 40 8.197 8.447 -3.097
265 1HA GLY 40 HA2 GLY 40 6.600 9.033 -4.808
266 2HA GLY 40 HA1 GLY 40 7.783 8.570 -6.032
267 H THR 41 HN THR 41 7.487 6.377 -3.406
268 HA THR 41 HA THR 41 5.571 4.669 -4.944
269 HB THR 41 HB THR 41 7.904 4.123 -5.564
270 HG1 THR 41 HG1 THR 41 6.101 2.494 -4.871
271 1HG2 THR 41 HG21 THR 41 9.554 3.573 -3.992
272 2HG2 THR 41 HG22 THR 41 8.371 3.256 -2.723
273 3HG2 THR 41 HG23 THR 41 8.713 4.915 -3.216
274 H TRP 42 HN TRP 42 3.946 4.355 -3.474
275 HA TRP 42 HA TRP 42 4.704 3.499 -0.702
276 1HB TRP 42 HB2 TRP 42 3.978 5.882 -0.816
277 2HB TRP 42 HB1 TRP 42 2.459 5.364 -1.547
278 HD1 TRP 42 HD1 TRP 42 4.490 4.765 1.686
279 HE1 TRP 42 HE1 TRP 42 2.826 4.357 3.612
280 HE3 TRP 42 HE3 TRP 42 0.097 4.879 -0.913
281 HZ2 TRP 42 HZ2 TRP 42 -0.003 4.112 3.995
282 HZ3 TRP 42 HZ3 TRP 42 -2.065 4.557 0.254
283 HH2 TRP 42 HH2 TRP 42 -2.120 4.173 2.701
284 H THR 43 HN THR 43 3.624 1.629 -0.078
285 HA THR 43 HA THR 43 1.249 0.800 -1.720
286 HB THR 43 HB THR 43 3.175 -0.438 -2.457
287 HG1 THR 43 HG1 THR 43 2.614 -2.541 -1.165
288 1HG2 THR 43 HG21 THR 43 4.636 0.102 -0.543
289 2HG2 THR 43 HG22 THR 43 4.641 -1.632 -0.869
290 3HG2 THR 43 HG23 THR 43 3.699 -0.990 0.478
291 H GLN 44 HN GLN 44 -0.322 -0.469 -0.584
292 HA GLN 44 HA GLN 44 0.038 -0.672 2.383
293 1HB GLN 44 HB2 GLN 44 -2.271 0.179 2.611
294 2HB GLN 44 HB1 GLN 44 -1.270 1.344 1.743
295 1HG GLN 44 HG2 GLN 44 -3.009 1.300 0.256
296 2HG GLN 44 HG1 GLN 44 -2.171 -0.132 -0.341
297 1HE2 GLN 44 HE21 GLN 44 -4.462 0.613 2.362
298 2HE2 GLN 44 HE22 GLN 44 -5.441 -0.747 2.094
299 H GLN 45 HN GLN 45 0.022 -2.558 -0.077
300 HA GLN 45 HA GLN 45 -1.661 -4.637 1.192
301 1HB GLN 45 HB2 GLN 45 -3.127 -3.340 -0.355
302 2HB GLN 45 HB1 GLN 45 -2.023 -3.715 -1.679
303 1HG GLN 45 HG2 GLN 45 -2.394 -6.161 -1.186
304 2HG GLN 45 HG1 GLN 45 -3.654 -5.680 -0.050
305 1HE2 GLN 45 HE21 GLN 45 -2.734 -4.799 -3.437
306 2HE2 GLN 45 HE22 GLN 45 -4.319 -4.879 -4.037
307 H ILE 46 HN ILE 46 0.055 -6.079 1.433
308 HA ILE 46 HA ILE 46 1.265 -7.141 -1.061
309 HB ILE 46 HB ILE 46 2.836 -5.448 -0.483
310 1HG1 ILE 46 HG12 ILE 46 4.306 -7.425 1.072
311 2HG1 ILE 46 HG11 ILE 46 3.505 -8.158 -0.319
312 1HG2 ILE 46 HG21 ILE 46 1.979 -4.872 1.720
313 2HG2 ILE 46 HG22 ILE 46 3.702 -5.223 1.856
314 3HG2 ILE 46 HG23 ILE 46 2.515 -6.421 2.370
315 1HD1 ILE 46 HD11 ILE 46 4.785 -5.582 -0.923
316 2HD1 ILE 46 HD12 ILE 46 4.869 -7.111 -1.798
317 3HD1 ILE 46 HD13 ILE 46 5.919 -6.830 -0.409
318 H CYS 47 HN CYS 47 0.917 -7.364 2.475
319 HA CYS 47 HA CYS 47 1.260 -10.335 2.229
320 1HB CYS 47 HB2 CYS 47 2.064 -10.211 4.562
321 2HB CYS 47 HB1 CYS 47 3.014 -9.153 3.521
322 H LEU 48 HN LEU 48 -0.436 -11.587 2.983
323 HA LEU 48 HA LEU 48 -2.863 -10.143 3.925
324 1HB LEU 48 HB2 LEU 48 -2.202 -12.421 2.258
325 2HB LEU 48 HB1 LEU 48 -3.362 -12.886 3.503
326 HG LEU 48 HG LEU 48 -4.664 -10.769 2.847
327 1HD1 LEU 48 HD11 LEU 48 -3.683 -9.422 1.330
328 2HD1 LEU 48 HD12 LEU 48 -3.859 -10.708 0.136
329 3HD1 LEU 48 HD13 LEU 48 -2.381 -10.587 1.089
330 1HD2 LEU 48 HD21 LEU 48 -5.387 -13.052 2.248
331 2HD2 LEU 48 HD22 LEU 48 -4.347 -13.012 0.825
332 3HD2 LEU 48 HD23 LEU 48 -5.731 -11.925 0.936
Start of MODEL 8
1 1H GLY 1 HT1 GLY 1 -6.074 9.722 8.353
2 2H GLY 1 HT2 GLY 1 -7.625 10.166 7.820
3 3H GLY 1 HT3 GLY 1 -7.314 8.567 8.302
4 1HA GLY 1 HA2 GLY 1 -8.321 10.586 9.869
5 2HA GLY 1 HA1 GLY 1 -7.737 9.015 10.420
6 H SER 2 HN SER 2 -5.666 8.877 11.356
7 HA SER 2 HA SER 2 -4.043 11.371 11.519
8 1HB SER 2 HB2 SER 2 -4.501 9.901 14.057
9 2HB SER 2 HB1 SER 2 -4.388 11.636 13.771
10 HG SER 2 HG SER 2 -6.486 11.544 12.884
11 H ALA 3 HN ALA 3 -1.826 10.940 11.924
12 HA ALA 3 HA ALA 3 -0.790 8.403 11.114
13 1HB ALA 3 HB1 ALA 3 0.713 10.357 12.837
14 2HB ALA 3 HB2 ALA 3 0.196 10.839 11.221
15 3HB ALA 3 HB3 ALA 3 1.278 9.462 11.427
16 H MET 4 HN MET 4 1.266 8.086 13.162
17 HA MET 4 HA MET 4 1.600 6.746 15.083
18 1HB MET 4 HB2 MET 4 -0.683 8.605 15.771
19 2HB MET 4 HB1 MET 4 0.008 7.508 16.968
20 1HG MET 4 HG2 MET 4 1.924 8.720 17.157
21 2HG MET 4 HG1 MET 4 1.995 9.054 15.427
22 1HE MET 4 HE1 MET 4 1.754 12.616 15.638
23 2HE MET 4 HE2 MET 4 1.284 11.459 14.396
24 3HE MET 4 HE3 MET 4 2.710 11.149 15.386
25 H GLY 5 HN GLY 5 -0.020 5.546 12.996
26 1HA GLY 5 HA2 GLY 5 -1.839 3.868 14.682
27 2HA GLY 5 HA1 GLY 5 -2.246 4.307 13.022
28 H CYS 6 HN CYS 6 -0.644 3.576 11.336
29 HA CYS 6 HA CYS 6 0.173 0.787 11.921
30 1HB CYS 6 HB2 CYS 6 0.502 0.766 9.416
31 2HB CYS 6 HB1 CYS 6 -1.133 1.184 9.921
32 H ARG 7 HN ARG 7 1.569 3.913 11.684
33 HA ARG 7 HA ARG 7 4.196 3.236 10.730
34 1HB ARG 7 HB2 ARG 7 2.961 5.505 11.046
35 2HB ARG 7 HB1 ARG 7 3.544 5.419 12.708
36 1HG ARG 7 HG2 ARG 7 5.212 6.645 11.532
37 2HG ARG 7 HG1 ARG 7 5.873 5.019 11.707
38 1HD ARG 7 HD2 ARG 7 5.999 4.792 9.458
39 2HD ARG 7 HD1 ARG 7 4.275 5.180 9.293
40 HE ARG 7 HE ARG 7 6.473 7.059 8.948
41 1HH1 ARG 7 HH11 ARG 7 3.835 7.199 7.515
42 2HH1 ARG 7 HH12 ARG 7 3.100 8.583 8.252
43 1HH2 ARG 7 HH21 ARG 7 5.259 8.612 10.967
44 2HH2 ARG 7 HH22 ARG 7 3.906 9.383 10.208
45 H HIS 8 HN HIS 8 2.600 2.571 13.717
46 HA HIS 8 HA HIS 8 5.242 2.039 15.030
47 1HB HIS 8 HB2 HIS 8 4.299 2.779 17.010
48 2HB HIS 8 HB1 HIS 8 3.333 3.714 15.874
49 HD1 HIS 8 HD1 HIS 8 2.520 2.464 18.807
50 HD2 HIS 8 HD2 HIS 8 1.255 1.184 15.048
51 HE1 HIS 8 HE1 HIS 8 0.336 1.234 19.167
52 H PHE 9 HN PHE 9 2.696 0.510 13.493
53 HA PHE 9 HA PHE 9 2.144 -1.768 15.129
54 1HB PHE 9 HB2 PHE 9 2.148 -1.136 12.183
55 2HB PHE 9 HB1 PHE 9 1.776 -2.767 12.732
56 HD1 PHE 9 HD1 PHE 9 0.719 -0.744 15.360
57 HD2 PHE 9 HD2 PHE 9 -0.348 -1.749 11.324
58 HE1 PHE 9 HE1 PHE 9 -1.620 -0.065 15.804
59 HE2 PHE 9 HE2 PHE 9 -2.687 -1.068 11.769
60 HZ PHE 9 HZ PHE 9 -3.324 -0.224 14.012
61 H GLN 10 HN GLN 10 2.902 -4.064 14.269
62 HA GLN 10 HA GLN 10 5.811 -4.163 14.598
63 1HB GLN 10 HB2 GLN 10 3.489 -6.040 14.449
64 2HB GLN 10 HB1 GLN 10 5.096 -6.701 14.142
65 1HG GLN 10 HG2 GLN 10 5.546 -6.697 16.345
66 2HG GLN 10 HG1 GLN 10 5.235 -4.963 16.421
67 1HE2 GLN 10 HE21 GLN 10 4.449 -7.003 18.442
68 2HE2 GLN 10 HE22 GLN 10 2.758 -6.918 18.557
69 H SER 11 HN SER 11 4.174 -6.285 12.327
70 HA SER 11 HA SER 11 6.086 -5.400 10.207
71 1HB SER 11 HB2 SER 11 4.375 -7.891 10.269
72 2HB SER 11 HB1 SER 11 5.879 -7.626 9.386
73 HG SER 11 HG SER 11 5.500 -8.522 11.895
74 H CYS 12 HN CYS 12 4.230 -6.928 8.306
75 HA CYS 12 HA CYS 12 2.554 -4.589 7.603
76 1HB CYS 12 HB2 CYS 12 2.201 -5.963 5.511
77 2HB CYS 12 HB1 CYS 12 3.886 -5.589 5.857
78 H SER 13 HN SER 13 2.142 -7.257 9.533
79 HA SER 13 HA SER 13 -0.393 -8.307 8.716
80 1HB SER 13 HB2 SER 13 1.193 -8.129 11.271
81 2HB SER 13 HB1 SER 13 -0.412 -8.854 11.275
82 HG SER 13 HG SER 13 1.884 -9.625 9.805
83 H GLN 14 HN GLN 14 0.275 -6.026 11.415
84 HA GLN 14 HA GLN 14 -2.531 -5.246 11.585
85 1HB GLN 14 HB2 GLN 14 -0.821 -5.372 13.453
86 2HB GLN 14 HB1 GLN 14 -0.072 -3.930 12.769
87 1HG GLN 14 HG2 GLN 14 -1.513 -2.778 14.083
88 2HG GLN 14 HG1 GLN 14 -2.727 -3.207 12.879
89 1HE2 GLN 14 HE21 GLN 14 -4.557 -4.052 13.867
90 2HE2 GLN 14 HE22 GLN 14 -4.557 -5.048 15.241
91 H CYS 15 HN CYS 15 0.358 -3.995 10.015
92 HA CYS 15 HA CYS 15 -0.386 -1.312 9.536
93 1HB CYS 15 HB2 CYS 15 1.392 -3.372 8.401
94 2HB CYS 15 HB1 CYS 15 0.960 -2.090 7.271
95 H LEU 16 HN LEU 16 -1.165 -4.237 7.621
96 HA LEU 16 HA LEU 16 -3.013 -2.575 5.968
97 1HB LEU 16 HB2 LEU 16 -1.576 -5.200 5.671
98 2HB LEU 16 HB1 LEU 16 -2.975 -4.848 4.655
99 HG LEU 16 HG LEU 16 -1.876 -2.677 4.014
100 1HD1 LEU 16 HD11 LEU 16 0.174 -3.795 5.869
101 2HD1 LEU 16 HD12 LEU 16 -0.288 -2.116 5.582
102 3HD1 LEU 16 HD13 LEU 16 0.755 -2.954 4.432
103 1HD2 LEU 16 HD21 LEU 16 -0.316 -3.690 2.441
104 2HD2 LEU 16 HD22 LEU 16 -1.717 -4.745 2.616
105 3HD2 LEU 16 HD23 LEU 16 -0.208 -5.142 3.436
106 H SER 17 HN SER 17 -3.104 -4.578 8.687
107 HA SER 17 HA SER 17 -5.747 -5.779 8.077
108 1HB SER 17 HB2 SER 17 -4.034 -7.049 9.301
109 2HB SER 17 HB1 SER 17 -3.951 -5.785 10.525
110 HG SER 17 HG SER 17 -5.732 -6.519 11.382
111 H ALA 18 HN ALA 18 -4.501 -2.874 9.321
112 HA ALA 18 HA ALA 18 -7.182 -2.145 10.400
113 1HB ALA 18 HB1 ALA 18 -6.343 -1.736 12.508
114 2HB ALA 18 HB2 ALA 18 -4.757 -1.269 11.893
115 3HB ALA 18 HB3 ALA 18 -5.187 -2.975 12.021
116 HA PRO 19 HA PRO 19 -5.042 1.042 7.754
117 1HB PRO 19 HB2 PRO 19 -6.911 1.127 5.760
118 2HB PRO 19 HB1 PRO 19 -5.509 0.042 5.750
119 1HG PRO 19 HG2 PRO 19 -8.345 -0.542 6.365
120 2HG PRO 19 HG1 PRO 19 -7.116 -1.561 5.607
121 1HD PRO 19 HD2 PRO 19 -7.940 -1.774 8.239
122 2HD PRO 19 HD1 PRO 19 -6.404 -2.392 7.597
123 HA PRO 20 HA PRO 20 -9.144 3.463 8.377
124 1HB PRO 20 HB2 PRO 20 -10.881 2.479 10.243
125 2HB PRO 20 HB1 PRO 20 -10.997 2.088 8.515
126 1HG PRO 20 HG2 PRO 20 -9.905 0.473 10.753
127 2HG PRO 20 HG1 PRO 20 -10.813 -0.043 9.323
128 1HD PRO 20 HD2 PRO 20 -8.103 -0.289 9.609
129 2HD PRO 20 HD1 PRO 20 -8.937 -0.210 8.045
130 H PHE 21 HN PHE 21 -7.388 1.769 10.845
131 HA PHE 21 HA PHE 21 -7.690 4.067 12.741
132 1HB PHE 21 HB2 PHE 21 -6.352 1.413 13.276
133 2HB PHE 21 HB1 PHE 21 -7.111 2.507 14.430
134 HD1 PHE 21 HD1 PHE 21 -7.597 -0.578 13.744
135 HD2 PHE 21 HD2 PHE 21 -9.637 3.087 12.812
136 HE1 PHE 21 HE1 PHE 21 -9.732 -1.821 13.524
137 HE2 PHE 21 HE2 PHE 21 -11.770 1.843 12.590
138 HZ PHE 21 HZ PHE 21 -11.818 -0.611 12.947
139 H VAL 22 HN VAL 22 -5.917 3.878 10.238
140 HA VAL 22 HA VAL 22 -3.420 4.776 11.577
141 HB VAL 22 HB VAL 22 -2.097 3.168 10.300
142 1HG1 VAL 22 HG11 VAL 22 -2.804 1.116 11.387
143 2HG1 VAL 22 HG12 VAL 22 -4.442 1.737 11.577
144 3HG1 VAL 22 HG13 VAL 22 -3.115 2.461 12.485
145 1HG2 VAL 22 HG21 VAL 22 -3.722 1.335 9.166
146 2HG2 VAL 22 HG22 VAL 22 -3.081 2.716 8.277
147 3HG2 VAL 22 HG23 VAL 22 -4.712 2.777 8.944
148 H GLN 23 HN GLN 23 -1.789 5.182 9.487
149 HA GLN 23 HA GLN 23 -3.331 6.444 7.274
150 1HB GLN 23 HB2 GLN 23 -3.196 8.250 8.793
151 2HB GLN 23 HB1 GLN 23 -1.576 7.798 9.323
152 1HG GLN 23 HG2 GLN 23 -0.628 9.059 7.712
153 2HG GLN 23 HG1 GLN 23 -1.612 8.296 6.464
154 1HE2 GLN 23 HE21 GLN 23 -4.108 9.092 6.712
155 2HE2 GLN 23 HE22 GLN 23 -4.280 10.774 6.855
156 H CYS 24 HN CYS 24 -0.158 5.556 8.642
157 HA CYS 24 HA CYS 24 1.355 6.044 6.249
158 1HB CYS 24 HB2 CYS 24 3.111 5.050 7.459
159 2HB CYS 24 HB1 CYS 24 2.058 5.656 8.732
160 H GLY 25 HN GLY 25 2.532 4.101 5.161
161 1HA GLY 25 HA2 GLY 25 0.715 1.783 4.746
162 2HA GLY 25 HA1 GLY 25 1.185 2.743 3.341
163 H TRP 26 HN TRP 26 2.022 0.295 2.983
164 HA TRP 26 HA TRP 26 4.643 -0.179 4.277
165 1HB TRP 26 HB2 TRP 26 2.781 -1.869 3.628
166 2HB TRP 26 HB1 TRP 26 3.389 -1.691 1.985
167 HD1 TRP 26 HD1 TRP 26 5.496 -3.019 1.348
168 HE1 TRP 26 HE1 TRP 26 7.134 -4.541 2.633
169 HE3 TRP 26 HE3 TRP 26 3.930 -2.152 6.122
170 HZ2 TRP 26 HZ2 TRP 26 7.698 -5.292 5.338
171 HZ3 TRP 26 HZ3 TRP 26 5.031 -3.279 8.036
172 HH2 TRP 26 HH2 TRP 26 6.912 -4.848 7.649
173 H CYS 27 HN CYS 27 6.613 0.269 3.268
174 HA CYS 27 HA CYS 27 6.511 1.152 0.407
175 1HB CYS 27 HB2 CYS 27 6.678 2.819 2.530
176 2HB CYS 27 HB1 CYS 27 8.391 2.488 2.277
177 H HIS 28 HN HIS 28 7.540 -0.662 -0.432
178 HA HIS 28 HA HIS 28 9.283 -2.165 -0.934
179 1HB HIS 28 HB2 HIS 28 10.317 0.569 -0.469
180 2HB HIS 28 HB1 HIS 28 11.533 -0.704 -0.583
181 HD1 HIS 28 HD1 HIS 28 12.030 -1.632 -2.878
182 HD2 HIS 28 HD2 HIS 28 8.586 0.716 -2.837
183 HE1 HIS 28 HE1 HIS 28 11.324 -1.353 -5.294
184 H ASP 29 HN ASP 29 8.747 -1.609 2.300
185 HA ASP 29 HA ASP 29 10.267 -3.792 3.214
186 1HB ASP 29 HB2 ASP 29 12.124 -2.305 4.365
187 2HB ASP 29 HB1 ASP 29 12.316 -2.818 2.691
188 H LYS 30 HN LYS 30 10.134 -0.464 4.556
189 HA LYS 30 HA LYS 30 8.925 -1.607 7.023
190 1HB LYS 30 HB2 LYS 30 11.001 -0.038 6.800
191 2HB LYS 30 HB1 LYS 30 9.802 1.240 6.592
192 1HG LYS 30 HG2 LYS 30 9.003 1.035 8.752
193 2HG LYS 30 HG1 LYS 30 9.440 -0.671 8.863
194 1HD LYS 30 HD2 LYS 30 11.250 0.000 10.036
195 2HD LYS 30 HD1 LYS 30 11.883 0.620 8.511
196 1HE LYS 30 HE2 LYS 30 11.740 2.727 9.317
197 2HE LYS 30 HE1 LYS 30 9.990 2.520 9.537
198 1HZ LYS 30 HZ1 LYS 30 12.149 1.751 11.424
199 2HZ LYS 30 HZ2 LYS 30 10.539 1.233 11.589
200 3HZ LYS 30 HZ3 LYS 30 10.916 2.887 11.680
201 H CYS 31 HN CYS 31 7.231 -0.164 8.091
202 HA CYS 31 HA CYS 31 5.121 0.454 6.113
203 1HB CYS 31 HB2 CYS 31 5.185 -0.789 8.539
204 2HB CYS 31 HB1 CYS 31 4.701 0.836 9.024
205 H VAL 32 HN VAL 32 5.448 2.491 5.242
206 HA VAL 32 HA VAL 32 5.373 4.794 7.123
207 HB VAL 32 HB VAL 32 7.314 5.796 6.007
208 1HG1 VAL 32 HG11 VAL 32 7.519 3.980 7.868
209 2HG1 VAL 32 HG12 VAL 32 8.971 4.430 6.973
210 3HG1 VAL 32 HG13 VAL 32 8.112 2.943 6.570
211 1HG2 VAL 32 HG21 VAL 32 7.345 3.236 4.370
212 2HG2 VAL 32 HG22 VAL 32 8.551 4.522 4.289
213 3HG2 VAL 32 HG23 VAL 32 6.896 4.830 3.763
214 H ARG 33 HN ARG 33 4.993 6.873 5.772
215 HA ARG 33 HA ARG 33 3.209 6.187 3.465
216 1HB ARG 33 HB2 ARG 33 2.594 7.416 5.786
217 2HB ARG 33 HB1 ARG 33 3.083 8.825 4.844
218 1HG ARG 33 HG2 ARG 33 1.551 7.609 2.999
219 2HG ARG 33 HG1 ARG 33 0.762 7.002 4.456
220 1HD ARG 33 HD2 ARG 33 -0.347 9.070 3.894
221 2HD ARG 33 HD1 ARG 33 0.713 9.440 5.269
222 HE ARG 33 HE ARG 33 2.348 10.368 3.671
223 1HH1 ARG 33 HH21 ARG 33 1.430 8.940 1.207
224 2HH1 ARG 33 HH22 ARG 33 0.596 10.193 0.347
225 1HH2 ARG 33 HH11 ARG 33 0.322 12.267 3.116
226 2HH2 ARG 33 HH12 ARG 33 -0.033 12.079 1.431
227 H SER 34 HN SER 34 3.075 8.077 1.835
228 HA SER 34 HA SER 34 5.469 8.496 0.488
229 1HB SER 34 HB2 SER 34 3.026 9.002 -0.134
230 2HB SER 34 HB1 SER 34 3.259 10.552 0.671
231 HG SER 34 HG SER 34 4.971 10.961 -0.760
232 H GLU 35 HN GLU 35 4.404 10.093 3.404
233 HA GLU 35 HA GLU 35 6.300 12.333 3.095
234 1HB GLU 35 HB2 GLU 35 4.017 11.536 4.769
235 2HB GLU 35 HB1 GLU 35 5.283 12.382 5.659
236 1HG GLU 35 HG2 GLU 35 5.011 13.790 3.239
237 2HG GLU 35 HG1 GLU 35 3.364 13.450 3.771
238 H GLU 36 HN GLU 36 6.356 9.128 4.388
239 HA GLU 36 HA GLU 36 8.800 9.824 5.989
240 1HB GLU 36 HB2 GLU 36 6.425 8.101 6.429
241 2HB GLU 36 HB1 GLU 36 7.965 7.435 6.977
242 1HG GLU 36 HG2 GLU 36 7.236 10.276 7.645
243 2HG GLU 36 HG1 GLU 36 6.586 8.949 8.609
244 H CYS 37 HN CYS 37 7.683 8.177 3.226
245 HA CYS 37 HA CYS 37 9.672 6.009 3.308
246 1HB CYS 37 HB2 CYS 37 7.377 5.870 2.280
247 2HB CYS 37 HB1 CYS 37 7.912 7.016 1.050
248 H LEU 38 HN LEU 38 11.357 5.825 1.623
249 HA LEU 38 HA LEU 38 12.936 8.211 1.316
250 1HB LEU 38 HB2 LEU 38 13.166 5.419 1.005
251 2HB LEU 38 HB1 LEU 38 13.525 6.095 -0.584
252 HG LEU 38 HG LEU 38 14.837 6.881 2.034
253 1HD1 LEU 38 HD11 LEU 38 15.702 5.273 -0.372
254 2HD1 LEU 38 HD12 LEU 38 15.787 4.827 1.333
255 3HD1 LEU 38 HD13 LEU 38 16.881 6.050 0.684
256 1HD2 LEU 38 HD21 LEU 38 16.157 7.869 -0.320
257 2HD2 LEU 38 HD22 LEU 38 15.473 8.789 1.021
258 3HD2 LEU 38 HD23 LEU 38 14.466 8.370 -0.365
259 H SER 39 HN SER 39 11.814 6.184 -1.395
260 HA SER 39 HA SER 39 11.809 8.421 -3.242
261 1HB SER 39 HB2 SER 39 11.554 5.544 -3.224
262 2HB SER 39 HB1 SER 39 10.304 6.242 -4.249
263 HG SER 39 HG SER 39 12.926 7.218 -4.419
264 H GLY 40 HN GLY 40 9.643 8.603 -4.654
265 1HA GLY 40 HA2 GLY 40 7.547 9.461 -2.764
266 2HA GLY 40 HA1 GLY 40 7.578 9.793 -4.497
267 H THR 41 HN THR 41 8.243 6.541 -3.662
268 HA THR 41 HA THR 41 5.667 5.697 -4.846
269 HB THR 41 HB THR 41 6.790 3.528 -4.949
270 HG1 THR 41 HG1 THR 41 8.422 4.779 -3.066
271 1HG2 THR 41 HG21 THR 41 9.024 5.433 -5.532
272 2HG2 THR 41 HG22 THR 41 7.504 5.621 -6.406
273 3HG2 THR 41 HG23 THR 41 8.400 4.107 -6.512
274 H TRP 42 HN TRP 42 4.126 4.443 -3.713
275 HA TRP 42 HA TRP 42 4.635 3.765 -0.866
276 1HB TRP 42 HB2 TRP 42 3.827 6.123 -0.981
277 2HB TRP 42 HB1 TRP 42 2.385 5.564 -1.824
278 HD1 TRP 42 HD1 TRP 42 4.234 4.834 1.495
279 HE1 TRP 42 HE1 TRP 42 2.463 4.369 3.308
280 HE3 TRP 42 HE3 TRP 42 -0.014 5.151 -1.321
281 HZ2 TRP 42 HZ2 TRP 42 -0.383 4.162 3.535
282 HZ3 TRP 42 HZ3 TRP 42 -2.239 4.816 -0.284
283 HH2 TRP 42 HH2 TRP 42 -2.429 4.324 2.139
284 H THR 43 HN THR 43 3.705 1.771 -0.475
285 HA THR 43 HA THR 43 1.373 0.969 -2.194
286 HB THR 43 HB THR 43 3.413 -0.133 -2.939
287 HG1 THR 43 HG1 THR 43 2.599 -2.106 -2.875
288 1HG2 THR 43 HG21 THR 43 4.766 -1.479 -1.373
289 2HG2 THR 43 HG22 THR 43 3.732 -0.962 -0.041
290 3HG2 THR 43 HG23 THR 43 4.732 0.216 -0.891
291 H GLN 44 HN GLN 44 -0.168 -0.432 -1.121
292 HA GLN 44 HA GLN 44 0.204 -0.690 1.841
293 1HB GLN 44 HB2 GLN 44 -1.757 0.811 0.255
294 2HB GLN 44 HB1 GLN 44 -2.506 -0.258 1.443
295 1HG GLN 44 HG2 GLN 44 -0.408 0.850 2.861
296 2HG GLN 44 HG1 GLN 44 -0.957 2.196 1.863
297 1HE2 GLN 44 HE21 GLN 44 -1.426 0.984 4.863
298 2HE2 GLN 44 HE22 GLN 44 -3.061 1.372 5.102
299 H GLN 45 HN GLN 45 0.593 -2.732 -0.199
300 HA GLN 45 HA GLN 45 -1.398 -4.693 0.794
301 1HB GLN 45 HB2 GLN 45 -2.185 -3.496 -1.340
302 2HB GLN 45 HB1 GLN 45 -0.874 -4.340 -2.162
303 1HG GLN 45 HG2 GLN 45 -2.078 -6.360 -0.708
304 2HG GLN 45 HG1 GLN 45 -3.449 -5.372 -1.215
305 1HE2 GLN 45 HE21 GLN 45 -0.995 -7.593 -2.327
306 2HE2 GLN 45 HE22 GLN 45 -1.453 -7.593 -3.960
307 H ILE 46 HN ILE 46 0.163 -6.002 1.720
308 HA ILE 46 HA ILE 46 1.984 -7.436 -0.125
309 HB ILE 46 HB ILE 46 2.830 -5.759 2.258
310 1HG1 ILE 46 HG12 ILE 46 2.638 -4.609 0.064
311 2HG1 ILE 46 HG11 ILE 46 4.315 -4.704 0.602
312 1HG2 ILE 46 HG21 ILE 46 3.976 -8.218 1.173
313 2HG2 ILE 46 HG22 ILE 46 4.385 -7.352 2.653
314 3HG2 ILE 46 HG23 ILE 46 5.114 -6.873 1.121
315 1HD1 ILE 46 HD11 ILE 46 3.663 -7.079 -0.890
316 2HD1 ILE 46 HD12 ILE 46 4.882 -5.855 -1.246
317 3HD1 ILE 46 HD13 ILE 46 3.234 -5.656 -1.839
318 H CYS 47 HN CYS 47 0.840 -6.954 3.199
319 HA CYS 47 HA CYS 47 1.481 -9.661 4.079
320 1HB CYS 47 HB2 CYS 47 0.747 -7.135 5.145
321 2HB CYS 47 HB1 CYS 47 -0.496 -8.273 5.659
322 H LEU 48 HN LEU 48 0.238 -11.425 3.549
323 HA LEU 48 HA LEU 48 -2.584 -10.977 2.677
324 1HB LEU 48 HB2 LEU 48 -0.434 -13.021 2.216
325 2HB LEU 48 HB1 LEU 48 -2.119 -13.492 1.992
326 HG LEU 48 HG LEU 48 -1.426 -10.904 0.768
327 1HD1 LEU 48 HD11 LEU 48 0.111 -11.589 -0.795
328 2HD1 LEU 48 HD12 LEU 48 -0.465 -13.255 -0.787
329 3HD1 LEU 48 HD13 LEU 48 0.582 -12.677 0.509
330 1HD2 LEU 48 HD21 LEU 48 -2.630 -12.053 -1.154
331 2HD2 LEU 48 HD22 LEU 48 -3.568 -11.911 0.333
332 3HD2 LEU 48 HD23 LEU 48 -2.823 -13.450 -0.096
Start of MODEL 9
1 1H GLY 1 HT1 GLY 1 -6.370 -5.456 17.038
2 2H GLY 1 HT2 GLY 1 -6.812 -4.451 15.741
3 3H GLY 1 HT3 GLY 1 -7.902 -5.612 16.328
4 1HA GLY 1 HA2 GLY 1 -8.437 -3.326 17.052
5 2HA GLY 1 HA1 GLY 1 -8.166 -4.453 18.381
6 H SER 2 HN SER 2 -7.739 -2.249 19.461
7 HA SER 2 HA SER 2 -6.215 -0.601 20.242
8 1HB SER 2 HB2 SER 2 -3.880 -1.989 20.429
9 2HB SER 2 HB1 SER 2 -5.231 -2.213 21.535
10 HG SER 2 HG SER 2 -5.887 -3.967 20.356
11 H ALA 3 HN ALA 3 -6.478 -0.870 17.240
12 HA ALA 3 HA ALA 3 -3.913 -0.586 15.984
13 1HB ALA 3 HB1 ALA 3 -5.851 0.889 14.559
14 2HB ALA 3 HB2 ALA 3 -6.745 -0.390 15.381
15 3HB ALA 3 HB3 ALA 3 -5.413 -0.801 14.301
16 H MET 4 HN MET 4 -2.574 0.962 16.999
17 HA MET 4 HA MET 4 -3.643 3.765 17.080
18 1HB MET 4 HB2 MET 4 -2.726 2.112 19.132
19 2HB MET 4 HB1 MET 4 -1.356 3.174 18.798
20 1HG MET 4 HG2 MET 4 -3.679 4.796 18.728
21 2HG MET 4 HG1 MET 4 -3.807 3.791 20.170
22 1HE MET 4 HE1 MET 4 -2.527 3.501 21.795
23 2HE MET 4 HE2 MET 4 -1.813 4.876 22.634
24 3HE MET 4 HE3 MET 4 -0.774 3.744 21.772
25 H GLY 5 HN GLY 5 -2.665 3.370 14.685
26 1HA GLY 5 HA2 GLY 5 -0.991 4.850 13.589
27 2HA GLY 5 HA1 GLY 5 0.164 4.330 14.815
28 H CYS 6 HN CYS 6 -0.787 3.847 11.669
29 HA CYS 6 HA CYS 6 -0.499 1.035 11.270
30 1HB CYS 6 HB2 CYS 6 -1.389 2.252 9.484
31 2HB CYS 6 HB1 CYS 6 -0.233 3.562 9.669
32 H ARG 7 HN ARG 7 1.902 3.685 10.989
33 HA ARG 7 HA ARG 7 4.160 2.008 10.460
34 1HB ARG 7 HB2 ARG 7 5.407 4.054 11.098
35 2HB ARG 7 HB1 ARG 7 4.024 4.455 10.082
36 1HG ARG 7 HG2 ARG 7 2.779 4.674 12.402
37 2HG ARG 7 HG1 ARG 7 4.416 4.915 13.016
38 1HD ARG 7 HD2 ARG 7 3.779 7.115 12.478
39 2HD ARG 7 HD1 ARG 7 4.596 6.610 10.985
40 HE ARG 7 HE ARG 7 1.708 6.014 11.139
41 1HH1 ARG 7 HH11 ARG 7 3.981 6.657 8.931
42 2HH1 ARG 7 HH12 ARG 7 3.193 7.993 8.161
43 1HH2 ARG 7 HH21 ARG 7 0.802 8.356 10.646
44 2HH2 ARG 7 HH22 ARG 7 1.393 8.955 9.131
45 H HIS 8 HN HIS 8 2.539 2.982 13.430
46 HA HIS 8 HA HIS 8 4.561 2.251 15.317
47 1HB HIS 8 HB2 HIS 8 2.731 3.528 16.092
48 2HB HIS 8 HB1 HIS 8 1.554 2.490 15.290
49 HD1 HIS 8 HD1 HIS 8 4.239 1.998 17.979
50 HD2 HIS 8 HD2 HIS 8 0.327 0.840 17.119
51 HE1 HIS 8 HE1 HIS 8 3.484 0.534 19.903
52 H PHE 9 HN PHE 9 2.374 0.373 13.356
53 HA PHE 9 HA PHE 9 2.326 -2.060 14.871
54 1HB PHE 9 HB2 PHE 9 2.141 -1.514 11.890
55 2HB PHE 9 HB1 PHE 9 1.621 -3.000 12.681
56 HD1 PHE 9 HD1 PHE 9 -0.326 -1.547 11.085
57 HD2 PHE 9 HD2 PHE 9 0.824 -0.925 15.176
58 HE1 PHE 9 HE1 PHE 9 -2.539 -0.528 11.548
59 HE2 PHE 9 HE2 PHE 9 -1.391 0.095 15.638
60 HZ PHE 9 HZ PHE 9 -3.069 0.295 13.827
61 H GLN 10 HN GLN 10 3.477 -4.092 14.193
62 HA GLN 10 HA GLN 10 6.353 -3.643 13.952
63 1HB GLN 10 HB2 GLN 10 4.476 -5.989 14.210
64 2HB GLN 10 HB1 GLN 10 6.196 -6.249 13.917
65 1HG GLN 10 HG2 GLN 10 6.805 -5.506 15.998
66 2HG GLN 10 HG1 GLN 10 5.502 -4.319 16.068
67 1HE2 GLN 10 HE21 GLN 10 3.589 -4.921 17.169
68 2HE2 GLN 10 HE22 GLN 10 3.307 -6.475 17.791
69 H SER 11 HN SER 11 4.902 -6.291 12.181
70 HA SER 11 HA SER 11 6.369 -5.517 9.749
71 1HB SER 11 HB2 SER 11 5.751 -7.857 10.980
72 2HB SER 11 HB1 SER 11 4.453 -7.790 9.791
73 HG SER 11 HG SER 11 7.250 -7.598 9.320
74 H CYS 12 HN CYS 12 4.193 -6.894 8.125
75 HA CYS 12 HA CYS 12 2.602 -4.438 7.606
76 1HB CYS 12 HB2 CYS 12 2.125 -5.602 5.474
77 2HB CYS 12 HB1 CYS 12 3.859 -5.546 5.791
78 H SER 13 HN SER 13 2.243 -7.212 9.427
79 HA SER 13 HA SER 13 -0.299 -8.263 8.797
80 1HB SER 13 HB2 SER 13 -0.159 -8.321 11.545
81 2HB SER 13 HB1 SER 13 0.651 -9.466 10.478
82 HG SER 13 HG SER 13 2.088 -8.468 11.971
83 H GLN 14 HN GLN 14 0.343 -5.789 11.323
84 HA GLN 14 HA GLN 14 -2.490 -5.061 11.427
85 1HB GLN 14 HB2 GLN 14 -0.769 -5.119 13.319
86 2HB GLN 14 HB1 GLN 14 -0.118 -3.630 12.635
87 1HG GLN 14 HG2 GLN 14 -1.699 -2.480 13.749
88 2HG GLN 14 HG1 GLN 14 -2.920 -3.278 12.758
89 1HE2 GLN 14 HE21 GLN 14 -3.414 -2.614 15.512
90 2HE2 GLN 14 HE22 GLN 14 -3.566 -4.061 16.384
91 H CYS 15 HN CYS 15 0.401 -3.873 9.840
92 HA CYS 15 HA CYS 15 -0.214 -1.198 9.281
93 1HB CYS 15 HB2 CYS 15 1.090 -3.425 7.724
94 2HB CYS 15 HB1 CYS 15 1.029 -1.785 7.086
95 H LEU 16 HN LEU 16 -1.316 -4.098 7.488
96 HA LEU 16 HA LEU 16 -3.200 -2.348 5.964
97 1HB LEU 16 HB2 LEU 16 -2.032 -5.108 5.553
98 2HB LEU 16 HB1 LEU 16 -3.304 -4.451 4.522
99 HG LEU 16 HG LEU 16 -1.798 -2.426 4.170
100 1HD1 LEU 16 HD11 LEU 16 -0.034 -4.208 5.797
101 2HD1 LEU 16 HD12 LEU 16 -0.161 -2.450 5.800
102 3HD1 LEU 16 HD13 LEU 16 0.708 -3.267 4.503
103 1HD2 LEU 16 HD21 LEU 16 -1.995 -4.006 2.381
104 2HD2 LEU 16 HD22 LEU 16 -0.996 -5.189 3.226
105 3HD2 LEU 16 HD23 LEU 16 -0.268 -3.715 2.585
106 H SER 17 HN SER 17 -3.131 -4.635 8.536
107 HA SER 17 HA SER 17 -5.819 -5.713 8.095
108 1HB SER 17 HB2 SER 17 -3.759 -5.764 10.296
109 2HB SER 17 HB1 SER 17 -5.358 -6.459 10.540
110 HG SER 17 HG SER 17 -3.234 -7.397 9.119
111 H ALA 18 HN ALA 18 -4.549 -2.783 9.369
112 HA ALA 18 HA ALA 18 -7.259 -2.065 10.392
113 1HB ALA 18 HB1 ALA 18 -6.128 -2.750 12.365
114 2HB ALA 18 HB2 ALA 18 -5.944 -0.996 12.355
115 3HB ALA 18 HB3 ALA 18 -4.608 -2.026 11.842
116 HA PRO 19 HA PRO 19 -4.950 1.162 7.901
117 1HB PRO 19 HB2 PRO 19 -6.579 1.183 5.705
118 2HB PRO 19 HB1 PRO 19 -5.149 0.145 5.861
119 1HG PRO 19 HG2 PRO 19 -8.016 -0.530 6.154
120 2HG PRO 19 HG1 PRO 19 -6.679 -1.509 5.542
121 1HD PRO 19 HD2 PRO 19 -7.784 -1.753 8.064
122 2HD PRO 19 HD1 PRO 19 -6.166 -2.317 7.599
123 HA PRO 20 HA PRO 20 -9.177 3.437 8.027
124 1HB PRO 20 HB2 PRO 20 -11.061 2.418 9.730
125 2HB PRO 20 HB1 PRO 20 -10.995 2.014 8.002
126 1HG PRO 20 HG2 PRO 20 -10.078 0.445 10.350
127 2HG PRO 20 HG1 PRO 20 -10.829 -0.106 8.846
128 1HD PRO 20 HD2 PRO 20 -8.155 -0.282 9.379
129 2HD PRO 20 HD1 PRO 20 -8.838 -0.212 7.743
130 H PHE 21 HN PHE 21 -7.488 1.908 10.596
131 HA PHE 21 HA PHE 21 -8.092 4.169 12.465
132 1HB PHE 21 HB2 PHE 21 -6.714 1.527 13.023
133 2HB PHE 21 HB1 PHE 21 -7.423 2.635 14.198
134 HD1 PHE 21 HD1 PHE 21 -7.962 -0.444 12.968
135 HD2 PHE 21 HD2 PHE 21 -10.004 3.331 13.147
136 HE1 PHE 21 HE1 PHE 21 -10.143 -1.613 12.767
137 HE2 PHE 21 HE2 PHE 21 -12.184 2.163 12.946
138 HZ PHE 21 HZ PHE 21 -12.253 -0.308 12.755
139 H VAL 22 HN VAL 22 -6.091 3.942 10.076
140 HA VAL 22 HA VAL 22 -3.814 5.162 11.535
141 HB VAL 22 HB VAL 22 -2.241 3.561 10.537
142 1HG1 VAL 22 HG11 VAL 22 -4.532 2.057 11.832
143 2HG1 VAL 22 HG12 VAL 22 -3.391 3.055 12.733
144 3HG1 VAL 22 HG13 VAL 22 -2.822 1.627 11.868
145 1HG2 VAL 22 HG21 VAL 22 -3.424 1.473 9.482
146 2HG2 VAL 22 HG22 VAL 22 -3.191 2.913 8.492
147 3HG2 VAL 22 HG23 VAL 22 -4.765 2.587 9.218
148 H GLN 23 HN GLN 23 -2.053 5.716 9.712
149 HA GLN 23 HA GLN 23 -3.422 6.531 7.179
150 1HB GLN 23 HB2 GLN 23 -3.614 8.525 8.343
151 2HB GLN 23 HB1 GLN 23 -2.227 8.177 9.369
152 1HG GLN 23 HG2 GLN 23 -0.688 8.706 7.558
153 2HG GLN 23 HG1 GLN 23 -2.030 8.908 6.430
154 1HE2 GLN 23 HE21 GLN 23 -1.468 10.122 9.792
155 2HE2 GLN 23 HE22 GLN 23 -1.763 11.748 9.403
156 H CYS 24 HN CYS 24 -0.926 4.852 8.494
157 HA CYS 24 HA CYS 24 1.130 5.775 6.548
158 1HB CYS 24 HB2 CYS 24 2.459 5.346 8.326
159 2HB CYS 24 HB1 CYS 24 1.063 4.784 9.229
160 H GLY 25 HN GLY 25 2.416 3.856 5.537
161 1HA GLY 25 HA2 GLY 25 0.735 1.495 4.927
162 2HA GLY 25 HA1 GLY 25 1.186 2.524 3.564
163 H TRP 26 HN TRP 26 2.190 0.124 3.191
164 HA TRP 26 HA TRP 26 4.809 -0.148 4.549
165 1HB TRP 26 HB2 TRP 26 3.252 -2.065 4.058
166 2HB TRP 26 HB1 TRP 26 3.544 -1.795 2.339
167 HD1 TRP 26 HD1 TRP 26 5.778 -2.654 1.331
168 HE1 TRP 26 HE1 TRP 26 7.799 -3.940 2.288
169 HE3 TRP 26 HE3 TRP 26 4.703 -2.393 6.309
170 HZ2 TRP 26 HZ2 TRP 26 8.826 -4.743 4.837
171 HZ3 TRP 26 HZ3 TRP 26 6.212 -3.427 7.982
172 HH2 TRP 26 HH2 TRP 26 8.268 -4.603 7.253
173 H CYS 27 HN CYS 27 6.812 0.080 3.465
174 HA CYS 27 HA CYS 27 6.709 1.043 0.634
175 1HB CYS 27 HB2 CYS 27 7.096 2.589 2.950
176 2HB CYS 27 HB1 CYS 27 8.702 2.402 2.252
177 H HIS 28 HN HIS 28 7.669 -0.817 -0.170
178 HA HIS 28 HA HIS 28 9.281 -2.591 -0.340
179 1HB HIS 28 HB2 HIS 28 10.722 0.050 -0.668
180 2HB HIS 28 HB1 HIS 28 11.253 -1.489 -1.347
181 HD1 HIS 28 HD1 HIS 28 8.347 -2.484 -2.152
182 HD2 HIS 28 HD2 HIS 28 9.989 1.224 -3.123
183 HE1 HIS 28 HE1 HIS 28 7.108 -1.667 -4.205
184 H ASP 29 HN ASP 29 9.100 -1.988 2.586
185 HA ASP 29 HA ASP 29 11.448 -3.284 3.496
186 1HB ASP 29 HB2 ASP 29 11.935 -0.649 2.625
187 2HB ASP 29 HB1 ASP 29 11.989 -0.584 4.382
188 H LYS 30 HN LYS 30 9.931 -0.266 4.694
189 HA LYS 30 HA LYS 30 9.090 -1.813 7.124
190 1HB LYS 30 HB2 LYS 30 11.037 0.056 6.973
191 2HB LYS 30 HB1 LYS 30 9.650 1.104 7.265
192 1HG LYS 30 HG2 LYS 30 9.290 -1.022 9.039
193 2HG LYS 30 HG1 LYS 30 11.020 -0.689 9.102
194 1HD LYS 30 HD2 LYS 30 10.727 1.415 9.977
195 2HD LYS 30 HD1 LYS 30 9.193 1.662 9.143
196 1HE LYS 30 HE2 LYS 30 8.223 1.243 11.163
197 2HE LYS 30 HE1 LYS 30 8.649 -0.455 10.875
198 1HZ LYS 30 HZ1 LYS 30 10.267 1.604 12.270
199 2HZ LYS 30 HZ2 LYS 30 10.906 0.114 11.761
200 3HZ LYS 30 HZ3 LYS 30 9.660 0.159 12.916
201 H CYS 31 HN CYS 31 7.400 -0.375 8.384
202 HA CYS 31 HA CYS 31 5.201 0.200 6.485
203 1HB CYS 31 HB2 CYS 31 5.235 -1.226 8.698
204 2HB CYS 31 HB1 CYS 31 5.062 0.342 9.488
205 H VAL 32 HN VAL 32 5.436 2.281 5.676
206 HA VAL 32 HA VAL 32 5.287 4.518 7.623
207 HB VAL 32 HB VAL 32 7.250 5.587 6.724
208 1HG1 VAL 32 HG11 VAL 32 8.997 3.968 7.256
209 2HG1 VAL 32 HG12 VAL 32 7.875 2.630 7.006
210 3HG1 VAL 32 HG13 VAL 32 7.643 3.735 8.362
211 1HG2 VAL 32 HG21 VAL 32 8.522 4.107 4.913
212 2HG2 VAL 32 HG22 VAL 32 7.267 5.248 4.429
213 3HG2 VAL 32 HG23 VAL 32 6.889 3.532 4.576
214 H ARG 33 HN ARG 33 5.057 6.657 6.252
215 HA ARG 33 HA ARG 33 3.301 6.042 3.898
216 1HB ARG 33 HB2 ARG 33 2.607 7.179 6.243
217 2HB ARG 33 HB1 ARG 33 3.119 8.624 5.373
218 1HG ARG 33 HG2 ARG 33 1.656 7.524 3.432
219 2HG ARG 33 HG1 ARG 33 0.839 6.784 4.809
220 1HD ARG 33 HD2 ARG 33 -0.203 8.734 5.315
221 2HD ARG 33 HD1 ARG 33 1.335 9.619 5.282
222 HE ARG 33 HE ARG 33 0.574 10.399 3.186
223 1HH1 ARG 33 HH11 ARG 33 -2.004 8.782 3.351
224 2HH1 ARG 33 HH12 ARG 33 -1.890 7.821 1.914
225 1HH2 ARG 33 HH21 ARG 33 1.493 8.429 1.459
226 2HH2 ARG 33 HH22 ARG 33 0.091 7.620 0.843
227 H SER 34 HN SER 34 3.164 8.102 2.419
228 HA SER 34 HA SER 34 5.466 8.553 0.991
229 1HB SER 34 HB2 SER 34 3.042 10.190 1.632
230 2HB SER 34 HB1 SER 34 4.329 10.941 0.693
231 HG SER 34 HG SER 34 3.610 8.376 -0.066
232 H GLU 35 HN GLU 35 4.462 10.389 3.889
233 HA GLU 35 HA GLU 35 6.463 12.358 3.957
234 1HB GLU 35 HB2 GLU 35 4.447 11.928 5.481
235 2HB GLU 35 HB1 GLU 35 5.475 10.788 6.350
236 1HG GLU 35 HG2 GLU 35 7.172 12.710 6.530
237 2HG GLU 35 HG1 GLU 35 5.852 13.767 6.029
238 H GLU 36 HN GLU 36 6.778 8.918 4.409
239 HA GLU 36 HA GLU 36 9.565 9.283 5.452
240 1HB GLU 36 HB2 GLU 36 7.717 7.923 6.659
241 2HB GLU 36 HB1 GLU 36 7.953 6.731 5.380
242 1HG GLU 36 HG2 GLU 36 9.497 5.949 6.907
243 2HG GLU 36 HG1 GLU 36 10.516 7.083 6.020
244 H CYS 37 HN CYS 37 7.610 7.790 2.905
245 HA CYS 37 HA CYS 37 9.761 6.277 1.697
246 1HB CYS 37 HB2 CYS 37 7.155 7.376 0.590
247 2HB CYS 37 HB1 CYS 37 8.128 6.113 -0.163
248 H LEU 38 HN LEU 38 11.561 7.656 1.338
249 HA LEU 38 HA LEU 38 11.413 10.283 0.192
250 1HB LEU 38 HB2 LEU 38 13.273 9.080 1.509
251 2HB LEU 38 HB1 LEU 38 13.712 8.330 -0.025
252 HG LEU 38 HG LEU 38 14.999 10.432 0.488
253 1HD1 LEU 38 HD11 LEU 38 13.989 9.525 -1.899
254 2HD1 LEU 38 HD12 LEU 38 15.156 10.838 -1.741
255 3HD1 LEU 38 HD13 LEU 38 13.436 11.200 -1.889
256 1HD2 LEU 38 HD21 LEU 38 12.522 11.387 1.261
257 2HD2 LEU 38 HD22 LEU 38 12.756 12.156 -0.309
258 3HD2 LEU 38 HD23 LEU 38 13.948 12.383 0.971
259 H SER 39 HN SER 39 11.352 7.086 -1.221
260 HA SER 39 HA SER 39 12.164 7.885 -3.896
261 1HB SER 39 HB2 SER 39 11.866 5.550 -2.499
262 2HB SER 39 HB1 SER 39 10.432 5.517 -3.520
263 HG SER 39 HG SER 39 11.751 4.903 -5.032
264 H GLY 40 HN GLY 40 9.475 8.750 -2.170
265 1HA GLY 40 HA2 GLY 40 7.442 9.716 -2.838
266 2HA GLY 40 HA1 GLY 40 8.045 9.664 -4.494
267 H THR 41 HN THR 41 8.218 6.632 -2.998
268 HA THR 41 HA THR 41 5.762 5.757 -4.470
269 HB THR 41 HB THR 41 6.933 3.629 -4.656
270 HG1 THR 41 HG1 THR 41 8.943 3.375 -3.650
271 1HG2 THR 41 HG21 THR 41 9.207 5.480 -5.135
272 2HG2 THR 41 HG22 THR 41 7.683 5.892 -5.923
273 3HG2 THR 41 HG23 THR 41 8.441 4.330 -6.230
274 H TRP 42 HN TRP 42 4.238 4.467 -3.377
275 HA TRP 42 HA TRP 42 4.753 3.697 -0.554
276 1HB TRP 42 HB2 TRP 42 3.928 6.040 -0.574
277 2HB TRP 42 HB1 TRP 42 2.507 5.521 -1.478
278 HD1 TRP 42 HD1 TRP 42 4.258 4.709 1.875
279 HE1 TRP 42 HE1 TRP 42 2.436 4.163 3.614
280 HE3 TRP 42 HE3 TRP 42 0.105 5.000 -1.084
281 HZ2 TRP 42 HZ2 TRP 42 -0.414 3.882 3.731
282 HZ3 TRP 42 HZ3 TRP 42 -2.146 4.587 -0.136
283 HH2 TRP 42 HH2 TRP 42 -2.412 4.029 2.267
284 H THR 43 HN THR 43 3.651 1.789 -0.069
285 HA THR 43 HA THR 43 1.451 0.957 -1.932
286 HB THR 43 HB THR 43 3.411 -0.187 -2.675
287 HG1 THR 43 HG1 THR 43 1.535 -1.514 -2.153
288 1HG2 THR 43 HG21 THR 43 4.775 0.409 -0.667
289 2HG2 THR 43 HG22 THR 43 4.988 -1.267 -1.174
290 3HG2 THR 43 HG23 THR 43 3.973 -0.888 0.219
291 H GLN 44 HN GLN 44 -0.032 -0.614 -0.968
292 HA GLN 44 HA GLN 44 0.178 -0.994 1.981
293 1HB GLN 44 HB2 GLN 44 -2.125 -0.111 2.230
294 2HB GLN 44 HB1 GLN 44 -1.051 1.112 1.551
295 1HG GLN 44 HG2 GLN 44 -2.589 1.323 -0.095
296 2HG GLN 44 HG1 GLN 44 -1.969 -0.215 -0.698
297 1HE2 GLN 44 HE21 GLN 44 -4.189 0.804 1.977
298 2HE2 GLN 44 HE22 GLN 44 -5.373 -0.360 1.624
299 H GLN 45 HN GLN 45 0.596 -3.027 0.187
300 HA GLN 45 HA GLN 45 -1.687 -4.811 0.717
301 1HB GLN 45 HB2 GLN 45 -2.064 -5.280 -1.663
302 2HB GLN 45 HB1 GLN 45 -2.264 -3.553 -1.362
303 1HG GLN 45 HG2 GLN 45 0.376 -3.591 -1.906
304 2HG GLN 45 HG1 GLN 45 -0.132 -4.976 -2.872
305 1HE2 GLN 45 HE21 GLN 45 -1.282 -4.560 -4.809
306 2HE2 GLN 45 HE22 GLN 45 -1.716 -3.001 -5.326
307 H ILE 46 HN ILE 46 -0.405 -6.382 1.689
308 HA ILE 46 HA ILE 46 1.627 -7.716 -0.021
309 HB ILE 46 HB ILE 46 2.208 -6.718 2.783
310 1HG1 ILE 46 HG12 ILE 46 2.835 -5.520 0.072
311 2HG1 ILE 46 HG11 ILE 46 1.928 -4.773 1.389
312 1HG2 ILE 46 HG21 ILE 46 3.485 -8.597 1.093
313 2HG2 ILE 46 HG22 ILE 46 4.102 -7.920 2.599
314 3HG2 ILE 46 HG23 ILE 46 4.483 -7.145 1.061
315 1HD1 ILE 46 HD11 ILE 46 3.855 -3.909 2.164
316 2HD1 ILE 46 HD12 ILE 46 4.779 -4.785 0.944
317 3HD1 ILE 46 HD13 ILE 46 4.413 -5.550 2.490
318 H CYS 47 HN CYS 47 0.854 -7.800 3.472
319 HA CYS 47 HA CYS 47 0.317 -10.728 3.187
320 1HB CYS 47 HB2 CYS 47 0.796 -10.702 5.649
321 2HB CYS 47 HB1 CYS 47 2.135 -10.086 4.683
322 H LEU 48 HN LEU 48 -1.658 -11.567 3.842
323 HA LEU 48 HA LEU 48 -3.917 -9.751 4.110
324 1HB LEU 48 HB2 LEU 48 -3.601 -12.757 4.415
325 2HB LEU 48 HB1 LEU 48 -5.148 -11.923 4.329
326 HG LEU 48 HG LEU 48 -4.891 -12.521 2.109
327 1HD1 LEU 48 HD11 LEU 48 -4.868 -9.954 2.430
328 2HD1 LEU 48 HD12 LEU 48 -4.407 -10.584 0.849
329 3HD1 LEU 48 HD13 LEU 48 -3.166 -10.051 1.981
330 1HD2 LEU 48 HD21 LEU 48 -2.108 -11.871 1.572
331 2HD2 LEU 48 HD22 LEU 48 -2.967 -13.390 1.322
332 3HD2 LEU 48 HD23 LEU 48 -2.249 -13.033 2.891
Start of MODEL 10
1 1H GLY 1 HT1 GLY 1 -8.794 -5.926 15.257
2 2H GLY 1 HT2 GLY 1 -7.388 -6.863 15.437
3 3H GLY 1 HT3 GLY 1 -7.278 -5.171 15.331
4 1HA GLY 1 HA2 GLY 1 -8.959 -6.182 17.470
5 2HA GLY 1 HA1 GLY 1 -7.230 -6.495 17.634
6 H SER 2 HN SER 2 -5.993 -4.855 18.428
7 HA SER 2 HA SER 2 -7.275 -2.173 18.717
8 1HB SER 2 HB2 SER 2 -5.382 -3.879 20.230
9 2HB SER 2 HB1 SER 2 -5.027 -2.154 20.261
10 HG SER 2 HG SER 2 -6.458 -2.413 21.873
11 H ALA 3 HN ALA 3 -5.944 -0.269 18.280
12 HA ALA 3 HA ALA 3 -3.430 -0.649 16.764
13 1HB ALA 3 HB1 ALA 3 -5.059 -0.967 15.033
14 2HB ALA 3 HB2 ALA 3 -4.489 0.692 14.854
15 3HB ALA 3 HB3 ALA 3 -6.044 0.371 15.623
16 H MET 4 HN MET 4 -2.117 1.170 16.987
17 HA MET 4 HA MET 4 -3.385 3.672 18.038
18 1HB MET 4 HB2 MET 4 -1.585 3.799 19.696
19 2HB MET 4 HB1 MET 4 -2.415 2.249 19.847
20 1HG MET 4 HG2 MET 4 -0.491 1.637 18.004
21 2HG MET 4 HG1 MET 4 0.353 2.826 18.996
22 1HE MET 4 HE1 MET 4 -2.025 -0.661 20.633
23 2HE MET 4 HE2 MET 4 -1.160 -1.030 19.144
24 3HE MET 4 HE3 MET 4 -2.291 0.320 19.185
25 H GLY 5 HN GLY 5 -2.180 2.730 15.367
26 1HA GLY 5 HA2 GLY 5 -1.284 4.827 14.076
27 2HA GLY 5 HA1 GLY 5 0.089 4.652 15.170
28 H CYS 6 HN CYS 6 -0.810 3.979 12.108
29 HA CYS 6 HA CYS 6 -0.098 1.254 11.668
30 1HB CYS 6 HB2 CYS 6 -1.184 2.492 9.954
31 2HB CYS 6 HB1 CYS 6 -0.005 3.795 10.032
32 H ARG 7 HN ARG 7 1.902 4.208 11.783
33 HA ARG 7 HA ARG 7 4.384 3.096 10.980
34 1HB ARG 7 HB2 ARG 7 3.404 5.515 11.833
35 2HB ARG 7 HB1 ARG 7 4.420 5.051 13.199
36 1HG ARG 7 HG2 ARG 7 6.148 5.865 11.986
37 2HG ARG 7 HG1 ARG 7 5.991 4.398 11.017
38 1HD ARG 7 HD2 ARG 7 5.800 6.008 9.343
39 2HD ARG 7 HD1 ARG 7 4.093 5.855 9.804
40 HE ARG 7 HE ARG 7 5.890 8.083 10.560
41 1HH1 ARG 7 HH21 ARG 7 2.830 7.553 9.595
42 2HH1 ARG 7 HH22 ARG 7 2.035 8.381 10.891
43 1HH2 ARG 7 HH11 ARG 7 4.900 8.662 12.824
44 2HH2 ARG 7 HH12 ARG 7 3.206 9.007 12.720
45 H HIS 8 HN HIS 8 2.699 3.017 14.087
46 HA HIS 8 HA HIS 8 4.867 1.955 15.660
47 1HB HIS 8 HB2 HIS 8 3.100 2.940 16.845
48 2HB HIS 8 HB1 HIS 8 1.874 2.187 15.830
49 HD1 HIS 8 HD1 HIS 8 4.288 1.365 18.631
50 HD2 HIS 8 HD2 HIS 8 0.979 -0.312 16.728
51 HE1 HIS 8 HE1 HIS 8 3.621 -0.656 20.004
52 H PHE 9 HN PHE 9 2.302 0.484 13.699
53 HA PHE 9 HA PHE 9 2.393 -2.195 14.446
54 1HB PHE 9 HB2 PHE 9 2.293 -0.908 11.700
55 2HB PHE 9 HB1 PHE 9 1.876 -2.592 12.008
56 HD1 PHE 9 HD1 PHE 9 0.987 -0.889 14.913
57 HD2 PHE 9 HD2 PHE 9 -0.279 -1.381 10.837
58 HE1 PHE 9 HE1 PHE 9 -1.314 -0.206 15.541
59 HE2 PHE 9 HE2 PHE 9 -2.576 -0.698 11.467
60 HZ PHE 9 HZ PHE 9 -3.095 -0.110 13.820
61 H GLN 10 HN GLN 10 4.129 -3.553 14.680
62 HA GLN 10 HA GLN 10 6.765 -2.959 13.685
63 1HB GLN 10 HB2 GLN 10 5.512 -5.539 14.685
64 2HB GLN 10 HB1 GLN 10 7.243 -5.217 14.581
65 1HG GLN 10 HG2 GLN 10 5.519 -3.286 16.087
66 2HG GLN 10 HG1 GLN 10 5.937 -4.819 16.852
67 1HE2 GLN 10 HE21 GLN 10 6.989 -2.557 18.047
68 2HE2 GLN 10 HE22 GLN 10 8.650 -2.428 17.719
69 H SER 11 HN SER 11 4.821 -5.863 12.888
70 HA SER 11 HA SER 11 6.226 -6.184 10.339
71 1HB SER 11 HB2 SER 11 3.868 -7.576 11.647
72 2HB SER 11 HB1 SER 11 4.663 -8.141 10.180
73 HG SER 11 HG SER 11 5.905 -9.132 11.568
74 H CYS 12 HN CYS 12 4.702 -6.648 8.353
75 HA CYS 12 HA CYS 12 3.183 -4.201 7.826
76 1HB CYS 12 HB2 CYS 12 3.004 -5.234 5.581
77 2HB CYS 12 HB1 CYS 12 4.661 -5.308 6.180
78 H SER 13 HN SER 13 2.459 -7.351 9.021
79 HA SER 13 HA SER 13 -0.066 -8.008 8.081
80 1HB SER 13 HB2 SER 13 1.581 -8.517 10.343
81 2HB SER 13 HB1 SER 13 -0.032 -8.173 10.958
82 HG SER 13 HG SER 13 -0.561 -9.674 9.006
83 H GLN 14 HN GLN 14 0.473 -5.903 10.938
84 HA GLN 14 HA GLN 14 -2.268 -4.980 11.013
85 1HB GLN 14 HB2 GLN 14 -0.323 -5.119 12.790
86 2HB GLN 14 HB1 GLN 14 0.057 -3.501 12.199
87 1HG GLN 14 HG2 GLN 14 -1.572 -2.686 13.519
88 2HG GLN 14 HG1 GLN 14 -2.749 -3.572 12.547
89 1HE2 GLN 14 HE21 GLN 14 -1.215 -3.426 15.650
90 2HE2 GLN 14 HE22 GLN 14 -1.885 -4.851 16.286
91 H CYS 15 HN CYS 15 0.724 -3.734 9.595
92 HA CYS 15 HA CYS 15 0.078 -1.078 9.030
93 1HB CYS 15 HB2 CYS 15 1.515 -3.206 7.423
94 2HB CYS 15 HB1 CYS 15 1.540 -1.497 6.988
95 H LEU 16 HN LEU 16 -0.995 -3.996 7.292
96 HA LEU 16 HA LEU 16 -2.697 -2.261 5.542
97 1HB LEU 16 HB2 LEU 16 -1.499 -5.028 5.310
98 2HB LEU 16 HB1 LEU 16 -2.761 -4.473 4.211
99 HG LEU 16 HG LEU 16 -1.353 -2.529 3.591
100 1HD1 LEU 16 HD11 LEU 16 1.180 -3.030 4.346
101 2HD1 LEU 16 HD12 LEU 16 0.339 -3.691 5.749
102 3HD1 LEU 16 HD13 LEU 16 0.101 -2.004 5.293
103 1HD2 LEU 16 HD21 LEU 16 0.497 -4.838 3.249
104 2HD2 LEU 16 HD22 LEU 16 -0.161 -3.738 2.039
105 3HD2 LEU 16 HD23 LEU 16 -1.153 -5.054 2.666
106 H SER 17 HN SER 17 -2.887 -4.256 8.272
107 HA SER 17 HA SER 17 -5.573 -5.336 7.640
108 1HB SER 17 HB2 SER 17 -3.562 -5.599 9.868
109 2HB SER 17 HB1 SER 17 -5.190 -6.241 10.043
110 HG SER 17 HG SER 17 -4.639 -7.190 7.834
111 H ALA 18 HN ALA 18 -4.305 -2.464 8.927
112 HA ALA 18 HA ALA 18 -6.964 -1.807 10.111
113 1HB ALA 18 HB1 ALA 18 -5.207 -0.627 11.859
114 2HB ALA 18 HB2 ALA 18 -4.352 -2.116 11.455
115 3HB ALA 18 HB3 ALA 18 -5.978 -2.189 12.133
116 HA PRO 19 HA PRO 19 -4.869 1.517 7.568
117 1HB PRO 19 HB2 PRO 19 -6.618 1.542 5.460
118 2HB PRO 19 HB1 PRO 19 -5.145 0.555 5.511
119 1HG PRO 19 HG2 PRO 19 -7.966 -0.238 5.931
120 2HG PRO 19 HG1 PRO 19 -6.626 -1.149 5.229
121 1HD PRO 19 HD2 PRO 19 -7.590 -1.499 7.796
122 2HD PRO 19 HD1 PRO 19 -5.977 -1.986 7.237
123 HA PRO 20 HA PRO 20 -9.120 3.678 8.046
124 1HB PRO 20 HB2 PRO 20 -10.943 2.495 9.703
125 2HB PRO 20 HB1 PRO 20 -10.898 2.201 7.953
126 1HG PRO 20 HG2 PRO 20 -9.928 0.506 10.181
127 2HG PRO 20 HG1 PRO 20 -10.652 0.039 8.637
128 1HD PRO 20 HD2 PRO 20 -7.962 -0.061 9.206
129 2HD PRO 20 HD1 PRO 20 -8.653 0.014 7.574
130 H PHE 21 HN PHE 21 -7.658 1.834 10.657
131 HA PHE 21 HA PHE 21 -8.224 3.991 12.629
132 1HB PHE 21 HB2 PHE 21 -6.692 1.411 13.020
133 2HB PHE 21 HB1 PHE 21 -7.551 2.356 14.236
134 HD1 PHE 21 HD1 PHE 21 -7.759 -0.655 12.809
135 HD2 PHE 21 HD2 PHE 21 -10.125 2.923 13.037
136 HE1 PHE 21 HE1 PHE 21 -9.810 -1.984 12.388
137 HE2 PHE 21 HE2 PHE 21 -12.176 1.594 12.614
138 HZ PHE 21 HZ PHE 21 -12.019 -0.859 12.290
139 H VAL 22 HN VAL 22 -6.065 3.721 10.240
140 HA VAL 22 HA VAL 22 -3.945 5.109 11.803
141 HB VAL 22 HB VAL 22 -2.259 3.576 11.005
142 1HG1 VAL 22 HG11 VAL 22 -4.596 1.828 11.792
143 2HG1 VAL 22 HG12 VAL 22 -3.792 2.889 12.948
144 3HG1 VAL 22 HG13 VAL 22 -2.890 1.592 12.166
145 1HG2 VAL 22 HG21 VAL 22 -3.174 1.530 9.653
146 2HG2 VAL 22 HG22 VAL 22 -2.874 3.046 8.802
147 3HG2 VAL 22 HG23 VAL 22 -4.518 2.605 9.268
148 H GLN 23 HN GLN 23 -2.069 5.532 9.959
149 HA GLN 23 HA GLN 23 -3.434 6.511 7.479
150 1HB GLN 23 HB2 GLN 23 -3.349 8.382 8.975
151 2HB GLN 23 HB1 GLN 23 -1.699 7.999 9.464
152 1HG GLN 23 HG2 GLN 23 -1.052 9.498 7.897
153 2HG GLN 23 HG1 GLN 23 -1.485 8.271 6.710
154 1HE2 GLN 23 HE21 GLN 23 -1.885 11.442 7.089
155 2HE2 GLN 23 HE22 GLN 23 -3.468 11.649 6.514
156 H CYS 24 HN CYS 24 -0.457 5.485 9.095
157 HA CYS 24 HA CYS 24 1.307 5.881 6.860
158 1HB CYS 24 HB2 CYS 24 2.696 5.453 8.585
159 2HB CYS 24 HB1 CYS 24 1.337 4.944 9.570
160 H GLY 25 HN GLY 25 2.443 3.888 5.851
161 1HA GLY 25 HA2 GLY 25 0.629 1.604 5.350
162 2HA GLY 25 HA1 GLY 25 1.067 2.593 3.959
163 H TRP 26 HN TRP 26 1.934 0.186 3.527
164 HA TRP 26 HA TRP 26 4.567 -0.307 4.789
165 1HB TRP 26 HB2 TRP 26 2.761 -2.020 4.185
166 2HB TRP 26 HB1 TRP 26 3.190 -1.740 2.503
167 HD1 TRP 26 HD1 TRP 26 5.092 -3.154 1.574
168 HE1 TRP 26 HE1 TRP 26 6.925 -4.657 2.590
169 HE3 TRP 26 HE3 TRP 26 4.363 -2.196 6.527
170 HZ2 TRP 26 HZ2 TRP 26 7.947 -5.357 5.170
171 HZ3 TRP 26 HZ3 TRP 26 5.778 -3.291 8.248
172 HH2 TRP 26 HH2 TRP 26 7.569 -4.870 7.573
173 H CYS 27 HN CYS 27 6.550 0.050 3.711
174 HA CYS 27 HA CYS 27 6.396 1.046 0.888
175 1HB CYS 27 HB2 CYS 27 6.700 2.626 3.112
176 2HB CYS 27 HB1 CYS 27 8.378 2.317 2.666
177 H HIS 28 HN HIS 28 7.367 -0.801 0.020
178 HA HIS 28 HA HIS 28 9.107 -2.236 -0.628
179 1HB HIS 28 HB2 HIS 28 10.012 0.381 -0.286
180 2HB HIS 28 HB1 HIS 28 11.247 -0.619 0.480
181 HD1 HIS 28 HD1 HIS 28 12.058 -2.741 -1.082
182 HD2 HIS 28 HD2 HIS 28 10.235 0.453 -3.043
183 HE1 HIS 28 HE1 HIS 28 12.671 -2.961 -3.529
184 H ASP 29 HN ASP 29 8.809 -1.558 2.786
185 HA ASP 29 HA ASP 29 9.610 -4.112 3.626
186 1HB ASP 29 HB2 ASP 29 11.804 -3.770 2.811
187 2HB ASP 29 HB1 ASP 29 11.830 -2.086 3.331
188 H LYS 30 HN LYS 30 9.913 -0.656 4.475
189 HA LYS 30 HA LYS 30 9.329 -1.313 7.322
190 1HB LYS 30 HB2 LYS 30 11.248 0.121 6.764
191 2HB LYS 30 HB1 LYS 30 10.182 1.230 5.900
192 1HG LYS 30 HG2 LYS 30 10.456 2.221 8.035
193 2HG LYS 30 HG1 LYS 30 8.884 1.426 8.120
194 1HD LYS 30 HD2 LYS 30 9.591 -0.061 9.680
195 2HD LYS 30 HD1 LYS 30 11.132 -0.320 8.861
196 1HE LYS 30 HE2 LYS 30 11.992 1.808 9.782
197 2HE LYS 30 HE1 LYS 30 10.443 2.070 10.611
198 1HZ LYS 30 HZ1 LYS 30 11.610 0.949 12.221
199 2HZ LYS 30 HZ2 LYS 30 12.489 0.017 11.106
200 3HZ LYS 30 HZ3 LYS 30 10.861 -0.350 11.429
201 H CYS 31 HN CYS 31 7.588 -0.224 8.431
202 HA CYS 31 HA CYS 31 5.241 0.289 6.721
203 1HB CYS 31 HB2 CYS 31 5.462 -1.054 8.948
204 2HB CYS 31 HB1 CYS 31 5.410 0.531 9.723
205 H VAL 32 HN VAL 32 5.339 2.344 5.811
206 HA VAL 32 HA VAL 32 5.237 4.656 7.660
207 HB VAL 32 HB VAL 32 7.116 5.748 6.611
208 1HG1 VAL 32 HG11 VAL 32 8.934 4.268 7.208
209 2HG1 VAL 32 HG12 VAL 32 7.904 2.850 7.010
210 3HG1 VAL 32 HG13 VAL 32 7.609 3.977 8.333
211 1HG2 VAL 32 HG21 VAL 32 8.190 3.788 4.880
212 2HG2 VAL 32 HG22 VAL 32 7.495 5.344 4.427
213 3HG2 VAL 32 HG23 VAL 32 6.476 3.906 4.481
214 H ARG 33 HN ARG 33 4.889 6.727 6.212
215 HA ARG 33 HA ARG 33 3.023 5.971 3.991
216 1HB ARG 33 HB2 ARG 33 2.420 7.254 6.247
217 2HB ARG 33 HB1 ARG 33 3.017 8.645 5.339
218 1HG ARG 33 HG2 ARG 33 1.441 7.444 3.460
219 2HG ARG 33 HG1 ARG 33 0.562 7.048 4.935
220 1HD ARG 33 HD2 ARG 33 -0.345 9.133 4.726
221 2HD ARG 33 HD1 ARG 33 1.225 9.721 5.310
222 HE ARG 33 HE ARG 33 1.858 10.201 3.046
223 1HH1 ARG 33 HH21 ARG 33 0.728 7.749 1.752
224 2HH1 ARG 33 HH22 ARG 33 -0.564 8.400 0.801
225 1HH2 ARG 33 HH11 ARG 33 -0.636 11.426 2.494
226 2HH2 ARG 33 HH12 ARG 33 -1.336 10.484 1.221
227 H SER 34 HN SER 34 2.851 7.862 2.332
228 HA SER 34 HA SER 34 5.159 8.174 0.831
229 1HB SER 34 HB2 SER 34 3.957 10.017 -0.226
230 2HB SER 34 HB1 SER 34 2.801 8.772 0.234
231 HG SER 34 HG SER 34 2.514 11.181 0.834
232 H GLU 35 HN GLU 35 4.048 10.349 3.443
233 HA GLU 35 HA GLU 35 6.053 12.353 3.136
234 1HB GLU 35 HB2 GLU 35 5.448 12.762 5.584
235 2HB GLU 35 HB1 GLU 35 4.087 12.725 4.462
236 1HG GLU 35 HG2 GLU 35 3.236 10.819 5.361
237 2HG GLU 35 HG1 GLU 35 4.830 10.094 5.572
238 H GLU 36 HN GLU 36 6.330 9.106 4.295
239 HA GLU 36 HA GLU 36 8.996 9.769 5.512
240 1HB GLU 36 HB2 GLU 36 6.686 8.197 6.354
241 2HB GLU 36 HB1 GLU 36 8.177 7.254 6.405
242 1HG GLU 36 HG2 GLU 36 8.162 8.285 8.507
243 2HG GLU 36 HG1 GLU 36 9.186 9.361 7.558
244 H CYS 37 HN CYS 37 7.386 8.140 2.987
245 HA CYS 37 HA CYS 37 9.181 5.909 2.593
246 1HB CYS 37 HB2 CYS 37 7.125 7.422 0.995
247 2HB CYS 37 HB1 CYS 37 8.099 6.174 0.215
248 H LEU 38 HN LEU 38 11.230 5.970 1.764
249 HA LEU 38 HA LEU 38 12.701 8.280 1.176
250 1HB LEU 38 HB2 LEU 38 12.851 5.365 0.574
251 2HB LEU 38 HB1 LEU 38 13.923 6.416 -0.354
252 HG LEU 38 HG LEU 38 14.902 5.548 1.820
253 1HD1 LEU 38 HD11 LEU 38 14.894 8.201 0.703
254 2HD1 LEU 38 HD12 LEU 38 16.210 7.353 1.516
255 3HD1 LEU 38 HD13 LEU 38 15.064 8.310 2.456
256 1HD2 LEU 38 HD21 LEU 38 13.070 7.578 3.109
257 2HD2 LEU 38 HD22 LEU 38 14.079 6.366 3.897
258 3HD2 LEU 38 HD23 LEU 38 12.636 5.871 3.014
259 H SER 39 HN SER 39 11.664 5.995 -1.379
260 HA SER 39 HA SER 39 11.853 8.051 -3.437
261 1HB SER 39 HB2 SER 39 12.286 5.574 -3.687
262 2HB SER 39 HB1 SER 39 10.554 5.306 -3.500
263 HG SER 39 HG SER 39 10.914 5.476 -5.665
264 H GLY 40 HN GLY 40 9.619 7.673 -5.003
265 1HA GLY 40 HA2 GLY 40 7.490 8.898 -3.319
266 2HA GLY 40 HA1 GLY 40 7.616 9.055 -5.072
267 H THR 41 HN THR 41 7.739 6.149 -2.998
268 HA THR 41 HA THR 41 5.337 5.130 -4.480
269 HB THR 41 HB THR 41 7.418 4.146 -5.320
270 HG1 THR 41 HG1 THR 41 6.158 2.480 -5.395
271 1HG2 THR 41 HG21 THR 41 8.282 2.612 -3.092
272 2HG2 THR 41 HG22 THR 41 8.135 4.282 -2.543
273 3HG2 THR 41 HG23 THR 41 9.161 3.896 -3.925
274 H TRP 42 HN TRP 42 3.779 4.228 -3.190
275 HA TRP 42 HA TRP 42 4.461 3.485 -0.375
276 1HB TRP 42 HB2 TRP 42 3.628 5.821 -0.465
277 2HB TRP 42 HB1 TRP 42 2.188 5.271 -1.319
278 HD1 TRP 42 HD1 TRP 42 3.998 4.674 2.043
279 HE1 TRP 42 HE1 TRP 42 2.214 4.158 3.829
280 HE3 TRP 42 HE3 TRP 42 -0.195 4.652 -0.877
281 HZ2 TRP 42 HZ2 TRP 42 -0.617 3.779 3.996
282 HZ3 TRP 42 HZ3 TRP 42 -2.419 4.202 0.121
283 HH2 TRP 42 HH2 TRP 42 -2.634 3.769 2.552
284 H THR 43 HN THR 43 3.621 1.433 0.002
285 HA THR 43 HA THR 43 1.359 0.552 -1.756
286 HB THR 43 HB THR 43 3.379 -0.670 -2.200
287 HG1 THR 43 HG1 THR 43 2.716 -2.747 -1.569
288 1HG2 THR 43 HG21 THR 43 4.638 -0.117 -0.193
289 2HG2 THR 43 HG22 THR 43 4.574 -1.871 -0.364
290 3HG2 THR 43 HG23 THR 43 3.527 -1.060 0.800
291 H GLN 44 HN GLN 44 -0.417 -0.390 -0.840
292 HA GLN 44 HA GLN 44 -0.539 -0.523 2.156
293 1HB GLN 44 HB2 GLN 44 -1.876 1.298 1.417
294 2HB GLN 44 HB1 GLN 44 -2.449 0.410 0.007
295 1HG GLN 44 HG2 GLN 44 -3.828 -1.010 1.348
296 2HG GLN 44 HG1 GLN 44 -3.086 -0.435 2.841
297 1HE2 GLN 44 HE21 GLN 44 -5.589 -0.012 3.211
298 2HE2 GLN 44 HE22 GLN 44 -6.145 1.526 2.755
299 H GLN 45 HN GLN 45 -0.151 -2.480 -0.344
300 HA GLN 45 HA GLN 45 -1.700 -4.692 0.873
301 1HB GLN 45 HB2 GLN 45 -2.627 -5.208 -1.447
302 2HB GLN 45 HB1 GLN 45 -3.290 -3.762 -0.685
303 1HG GLN 45 HG2 GLN 45 -2.626 -2.568 -2.470
304 2HG GLN 45 HG1 GLN 45 -0.954 -2.936 -2.049
305 1HE2 GLN 45 HE21 GLN 45 -1.758 -2.698 -4.784
306 2HE2 GLN 45 HE22 GLN 45 -1.647 -4.227 -5.512
307 H ILE 46 HN ILE 46 0.140 -5.965 1.223
308 HA ILE 46 HA ILE 46 1.586 -6.905 -1.198
309 HB ILE 46 HB ILE 46 2.862 -4.983 -0.458
310 1HG1 ILE 46 HG12 ILE 46 5.000 -6.048 0.123
311 2HG1 ILE 46 HG11 ILE 46 4.152 -7.522 0.595
312 1HG2 ILE 46 HG21 ILE 46 1.790 -5.331 1.963
313 2HG2 ILE 46 HG22 ILE 46 3.307 -4.459 1.746
314 3HG2 ILE 46 HG23 ILE 46 3.325 -6.148 2.255
315 1HD1 ILE 46 HD11 ILE 46 3.372 -7.869 -1.673
316 2HD1 ILE 46 HD12 ILE 46 5.116 -7.616 -1.725
317 3HD1 ILE 46 HD13 ILE 46 4.021 -6.309 -2.180
318 H CYS 47 HN CYS 47 1.273 -7.134 2.358
319 HA CYS 47 HA CYS 47 2.306 -9.885 2.395
320 1HB CYS 47 HB2 CYS 47 0.955 -8.182 4.514
321 2HB CYS 47 HB1 CYS 47 1.897 -9.644 4.805
322 H LEU 48 HN LEU 48 1.000 -11.715 3.122
323 HA LEU 48 HA LEU 48 -1.650 -11.797 1.936
324 1HB LEU 48 HB2 LEU 48 0.252 -13.595 3.362
325 2HB LEU 48 HB1 LEU 48 -1.446 -14.076 3.373
326 HG LEU 48 HG LEU 48 -0.498 -13.157 0.746
327 1HD1 LEU 48 HD11 LEU 48 0.505 -15.671 0.605
328 2HD1 LEU 48 HD12 LEU 48 0.956 -15.258 2.259
329 3HD1 LEU 48 HD13 LEU 48 1.505 -14.253 0.917
330 1HD2 LEU 48 HD21 LEU 48 -2.099 -14.622 0.047
331 2HD2 LEU 48 HD22 LEU 48 -2.602 -14.611 1.738
332 3HD2 LEU 48 HD23 LEU 48 -1.546 -15.891 1.140
Start of MODEL 11
1 1H GLY 1 HT1 GLY 1 -7.379 -3.669 22.987
2 2H GLY 1 HT2 GLY 1 -7.914 -4.656 21.713
3 3H GLY 1 HT3 GLY 1 -8.436 -3.043 21.817
4 1HA GLY 1 HA2 GLY 1 -5.792 -4.092 21.035
5 2HA GLY 1 HA1 GLY 1 -6.816 -2.929 20.189
6 H SER 2 HN SER 2 -4.036 -2.527 20.945
7 HA SER 2 HA SER 2 -4.380 0.002 22.456
8 1HB SER 2 HB2 SER 2 -3.054 -2.491 23.402
9 2HB SER 2 HB1 SER 2 -2.229 -0.977 23.760
10 HG SER 2 HG SER 2 -4.561 -0.365 24.394
11 H ALA 3 HN ALA 3 -3.828 0.499 20.050
12 HA ALA 3 HA ALA 3 -0.845 0.490 19.707
13 1HB ALA 3 HB1 ALA 3 -3.139 -0.187 17.930
14 2HB ALA 3 HB2 ALA 3 -1.518 -0.883 17.983
15 3HB ALA 3 HB3 ALA 3 -1.788 0.667 17.185
16 H MET 4 HN MET 4 -0.140 2.337 18.217
17 HA MET 4 HA MET 4 -1.659 4.806 18.936
18 1HB MET 4 HB2 MET 4 1.185 4.033 18.453
19 2HB MET 4 HB1 MET 4 0.719 5.686 18.047
20 1HG MET 4 HG2 MET 4 -0.353 4.816 20.628
21 2HG MET 4 HG1 MET 4 1.410 4.784 20.578
22 1HE MET 4 HE1 MET 4 -1.108 8.387 19.256
23 2HE MET 4 HE2 MET 4 -1.600 6.695 19.289
24 3HE MET 4 HE3 MET 4 -0.413 7.238 18.105
25 H GLY 5 HN GLY 5 -0.831 2.769 16.270
26 1HA GLY 5 HA2 GLY 5 -2.489 3.779 14.366
27 2HA GLY 5 HA1 GLY 5 -1.126 4.892 14.259
28 H CYS 6 HN CYS 6 -0.823 4.067 12.073
29 HA CYS 6 HA CYS 6 -0.166 1.301 11.538
30 1HB CYS 6 HB2 CYS 6 -1.075 2.809 9.862
31 2HB CYS 6 HB1 CYS 6 0.271 3.920 10.079
32 H ARG 7 HN ARG 7 1.819 4.272 11.824
33 HA ARG 7 HA ARG 7 4.360 3.041 11.452
34 1HB ARG 7 HB2 ARG 7 3.569 5.433 13.148
35 2HB ARG 7 HB1 ARG 7 5.175 5.118 12.489
36 1HG ARG 7 HG2 ARG 7 3.432 4.916 10.298
37 2HG ARG 7 HG1 ARG 7 2.879 6.330 11.195
38 1HD ARG 7 HD2 ARG 7 5.155 7.270 11.161
39 2HD ARG 7 HD1 ARG 7 5.744 5.834 10.301
40 HE ARG 7 HE ARG 7 4.582 6.565 8.346
41 1HH1 ARG 7 HH11 ARG 7 3.374 8.134 11.142
42 2HH1 ARG 7 HH12 ARG 7 2.745 9.498 10.280
43 1HH2 ARG 7 HH21 ARG 7 3.966 8.454 7.208
44 2HH2 ARG 7 HH22 ARG 7 3.080 9.680 8.053
45 H HIS 8 HN HIS 8 2.139 2.768 14.052
46 HA HIS 8 HA HIS 8 4.170 2.178 16.111
47 1HB HIS 8 HB2 HIS 8 2.247 3.214 16.965
48 2HB HIS 8 HB1 HIS 8 1.173 2.328 15.885
49 HD1 HIS 8 HD1 HIS 8 3.239 1.846 19.029
50 HD2 HIS 8 HD2 HIS 8 0.226 -0.106 16.910
51 HE1 HIS 8 HE1 HIS 8 2.466 -0.075 20.488
52 H PHE 9 HN PHE 9 1.880 0.429 14.036
53 HA PHE 9 HA PHE 9 1.945 -2.145 15.092
54 1HB PHE 9 HB2 PHE 9 2.144 -1.267 12.191
55 2HB PHE 9 HB1 PHE 9 1.568 -2.838 12.742
56 HD1 PHE 9 HD1 PHE 9 -0.151 -1.131 11.052
57 HD2 PHE 9 HD2 PHE 9 0.345 -1.178 15.318
58 HE1 PHE 9 HE1 PHE 9 -2.438 -0.216 11.328
59 HE2 PHE 9 HE2 PHE 9 -1.942 -0.263 15.590
60 HZ PHE 9 HZ PHE 9 -3.334 0.220 13.598
61 H GLN 10 HN GLN 10 3.273 -4.039 14.370
62 HA GLN 10 HA GLN 10 6.157 -3.302 14.273
63 1HB GLN 10 HB2 GLN 10 4.486 -5.624 15.153
64 2HB GLN 10 HB1 GLN 10 6.156 -5.940 14.686
65 1HG GLN 10 HG2 GLN 10 6.241 -3.626 16.294
66 2HG GLN 10 HG1 GLN 10 5.151 -4.740 17.117
67 1HE2 GLN 10 HE21 GLN 10 6.263 -6.063 18.552
68 2HE2 GLN 10 HE22 GLN 10 7.839 -6.650 18.321
69 H SER 11 HN SER 11 4.590 -6.224 13.003
70 HA SER 11 HA SER 11 6.234 -6.118 10.583
71 1HB SER 11 HB2 SER 11 4.266 -7.944 11.897
72 2HB SER 11 HB1 SER 11 4.567 -8.170 10.176
73 HG SER 11 HG SER 11 6.312 -8.406 12.366
74 H CYS 12 HN CYS 12 4.636 -6.942 8.548
75 HA CYS 12 HA CYS 12 3.103 -4.525 7.905
76 1HB CYS 12 HB2 CYS 12 3.077 -5.484 5.698
77 2HB CYS 12 HB1 CYS 12 4.659 -5.851 6.384
78 H SER 13 HN SER 13 2.398 -7.410 9.494
79 HA SER 13 HA SER 13 -0.088 -8.276 8.516
80 1HB SER 13 HB2 SER 13 1.553 -8.531 10.836
81 2HB SER 13 HB1 SER 13 -0.094 -8.237 11.385
82 HG SER 13 HG SER 13 -0.486 -9.897 9.536
83 H GLN 14 HN GLN 14 0.343 -5.946 11.222
84 HA GLN 14 HA GLN 14 -2.444 -5.100 11.092
85 1HB GLN 14 HB2 GLN 14 -0.866 -5.204 13.100
86 2HB GLN 14 HB1 GLN 14 -0.103 -3.749 12.457
87 1HG GLN 14 HG2 GLN 14 -1.735 -2.473 13.328
88 2HG GLN 14 HG1 GLN 14 -2.955 -3.391 12.448
89 1HE2 GLN 14 HE21 GLN 14 -2.908 -5.880 13.622
90 2HE2 GLN 14 HE22 GLN 14 -3.236 -5.772 15.284
91 H CYS 15 HN CYS 15 0.644 -3.847 9.891
92 HA CYS 15 HA CYS 15 0.038 -1.210 9.222
93 1HB CYS 15 HB2 CYS 15 1.637 -3.419 7.976
94 2HB CYS 15 HB1 CYS 15 1.514 -1.876 7.132
95 H LEU 16 HN LEU 16 -0.986 -4.168 7.529
96 HA LEU 16 HA LEU 16 -2.559 -2.468 5.627
97 1HB LEU 16 HB2 LEU 16 -1.392 -5.253 5.560
98 2HB LEU 16 HB1 LEU 16 -2.605 -4.739 4.387
99 HG LEU 16 HG LEU 16 -1.163 -2.816 3.765
100 1HD1 LEU 16 HD11 LEU 16 1.328 -3.258 4.614
101 2HD1 LEU 16 HD12 LEU 16 0.474 -3.963 5.987
102 3HD1 LEU 16 HD13 LEU 16 0.201 -2.277 5.549
103 1HD2 LEU 16 HD21 LEU 16 0.664 -5.164 3.556
104 2HD2 LEU 16 HD22 LEU 16 0.092 -4.070 2.297
105 3HD2 LEU 16 HD23 LEU 16 -0.961 -5.352 2.897
106 H SER 17 HN SER 17 -2.874 -4.560 8.330
107 HA SER 17 HA SER 17 -5.601 -5.463 7.634
108 1HB SER 17 HB2 SER 17 -3.610 -5.880 9.848
109 2HB SER 17 HB1 SER 17 -5.293 -6.340 10.097
110 HG SER 17 HG SER 17 -5.131 -7.824 8.530
111 H ALA 18 HN ALA 18 -4.209 -2.682 8.962
112 HA ALA 18 HA ALA 18 -6.848 -1.858 10.079
113 1HB ALA 18 HB1 ALA 18 -4.391 -2.465 11.519
114 2HB ALA 18 HB2 ALA 18 -6.006 -2.157 12.156
115 3HB ALA 18 HB3 ALA 18 -4.920 -0.809 11.817
116 HA PRO 19 HA PRO 19 -4.375 1.323 7.646
117 1HB PRO 19 HB2 PRO 19 -5.822 1.291 5.324
118 2HB PRO 19 HB1 PRO 19 -4.390 0.283 5.607
119 1HG PRO 19 HG2 PRO 19 -7.262 -0.447 5.685
120 2HG PRO 19 HG1 PRO 19 -5.864 -1.401 5.177
121 1HD PRO 19 HD2 PRO 19 -7.139 -1.669 7.609
122 2HD PRO 19 HD1 PRO 19 -5.472 -2.179 7.271
123 HA PRO 20 HA PRO 20 -8.654 3.502 7.433
124 1HB PRO 20 HB2 PRO 20 -10.653 2.426 8.960
125 2HB PRO 20 HB1 PRO 20 -10.418 2.023 7.248
126 1HG PRO 20 HG2 PRO 20 -9.687 0.477 9.675
127 2HG PRO 20 HG1 PRO 20 -10.260 -0.091 8.099
128 1HD PRO 20 HD2 PRO 20 -7.652 -0.162 8.928
129 2HD PRO 20 HD1 PRO 20 -8.164 -0.160 7.232
130 H PHE 21 HN PHE 21 -7.609 1.826 10.358
131 HA PHE 21 HA PHE 21 -8.334 4.147 12.061
132 1HB PHE 21 HB2 PHE 21 -6.911 1.576 12.803
133 2HB PHE 21 HB1 PHE 21 -7.843 2.637 13.860
134 HD1 PHE 21 HD1 PHE 21 -8.033 -0.459 12.538
135 HD2 PHE 21 HD2 PHE 21 -10.281 3.200 12.480
136 HE1 PHE 21 HE1 PHE 21 -10.095 -1.735 12.015
137 HE2 PHE 21 HE2 PHE 21 -12.342 1.926 11.958
138 HZ PHE 21 HZ PHE 21 -12.250 -0.542 11.725
139 H VAL 22 HN VAL 22 -6.009 3.875 9.936
140 HA VAL 22 HA VAL 22 -3.998 5.239 11.654
141 HB VAL 22 HB VAL 22 -2.247 3.750 10.899
142 1HG1 VAL 22 HG11 VAL 22 -3.024 1.607 11.846
143 2HG1 VAL 22 HG12 VAL 22 -4.696 2.152 11.711
144 3HG1 VAL 22 HG13 VAL 22 -3.589 2.966 12.817
145 1HG2 VAL 22 HG21 VAL 22 -2.614 3.081 8.729
146 2HG2 VAL 22 HG22 VAL 22 -4.357 2.943 8.961
147 3HG2 VAL 22 HG23 VAL 22 -3.288 1.662 9.531
148 H GLN 23 HN GLN 23 -1.992 5.265 9.596
149 HA GLN 23 HA GLN 23 -3.295 6.500 7.228
150 1HB GLN 23 HB2 GLN 23 -3.203 8.435 8.502
151 2HB GLN 23 HB1 GLN 23 -1.831 7.867 9.449
152 1HG GLN 23 HG2 GLN 23 -0.381 8.183 7.413
153 2HG GLN 23 HG1 GLN 23 -1.763 8.921 6.605
154 1HE2 GLN 23 HE21 GLN 23 0.507 9.327 9.323
155 2HE2 GLN 23 HE22 GLN 23 0.208 10.982 9.544
156 H CYS 24 HN CYS 24 -0.293 5.557 8.896
157 HA CYS 24 HA CYS 24 1.466 5.860 6.651
158 1HB CYS 24 HB2 CYS 24 2.866 5.453 8.372
159 2HB CYS 24 HB1 CYS 24 1.495 5.040 9.384
160 H GLY 25 HN GLY 25 2.594 3.877 5.648
161 1HA GLY 25 HA2 GLY 25 0.813 1.550 5.247
162 2HA GLY 25 HA1 GLY 25 1.170 2.528 3.824
163 H TRP 26 HN TRP 26 2.045 0.133 3.402
164 HA TRP 26 HA TRP 26 4.739 -0.317 4.529
165 1HB TRP 26 HB2 TRP 26 2.805 -1.989 3.910
166 2HB TRP 26 HB1 TRP 26 3.436 -1.829 2.274
167 HD1 TRP 26 HD1 TRP 26 5.520 -3.192 1.669
168 HE1 TRP 26 HE1 TRP 26 7.130 -4.723 2.978
169 HE3 TRP 26 HE3 TRP 26 3.939 -2.261 6.423
170 HZ2 TRP 26 HZ2 TRP 26 7.669 -5.458 5.692
171 HZ3 TRP 26 HZ3 TRP 26 5.009 -3.389 8.354
172 HH2 TRP 26 HH2 TRP 26 6.873 -4.982 7.995
173 H CYS 27 HN CYS 27 6.636 0.207 3.423
174 HA CYS 27 HA CYS 27 6.359 1.085 0.570
175 1HB CYS 27 HB2 CYS 27 6.424 2.884 2.428
176 2HB CYS 27 HB1 CYS 27 8.120 2.438 2.614
177 H HIS 28 HN HIS 28 7.408 -0.696 -0.314
178 HA HIS 28 HA HIS 28 9.227 -1.974 -1.055
179 1HB HIS 28 HB2 HIS 28 10.482 0.464 0.181
180 2HB HIS 28 HB1 HIS 28 11.478 -0.795 -0.546
181 HD1 HIS 28 HD1 HIS 28 11.900 -0.474 -2.971
182 HD2 HIS 28 HD2 HIS 28 8.312 1.298 -1.807
183 HE1 HIS 28 HE1 HIS 28 10.956 0.652 -5.034
184 H ASP 29 HN ASP 29 8.819 -1.541 2.372
185 HA ASP 29 HA ASP 29 9.789 -4.128 3.012
186 1HB ASP 29 HB2 ASP 29 11.978 -3.359 4.105
187 2HB ASP 29 HB1 ASP 29 11.973 -3.402 2.346
188 H LYS 30 HN LYS 30 9.955 -0.795 4.332
189 HA LYS 30 HA LYS 30 9.025 -1.865 6.958
190 1HB LYS 30 HB2 LYS 30 11.122 -0.360 6.440
191 2HB LYS 30 HB1 LYS 30 9.938 0.946 6.417
192 1HG LYS 30 HG2 LYS 30 9.351 -0.651 8.690
193 2HG LYS 30 HG1 LYS 30 11.095 -0.378 8.691
194 1HD LYS 30 HD2 LYS 30 9.959 2.091 7.966
195 2HD LYS 30 HD1 LYS 30 8.958 1.490 9.287
196 1HE LYS 30 HE2 LYS 30 11.895 1.186 9.661
197 2HE LYS 30 HE1 LYS 30 11.268 2.844 9.718
198 1HZ LYS 30 HZ1 LYS 30 10.741 2.272 11.822
199 2HZ LYS 30 HZ2 LYS 30 10.737 0.605 11.496
200 3HZ LYS 30 HZ3 LYS 30 9.389 1.556 11.090
201 H CYS 31 HN CYS 31 7.540 -0.302 8.171
202 HA CYS 31 HA CYS 31 5.236 0.346 6.433
203 1HB CYS 31 HB2 CYS 31 5.452 -0.895 8.798
204 2HB CYS 31 HB1 CYS 31 5.285 0.757 9.394
205 H VAL 32 HN VAL 32 5.545 2.352 5.471
206 HA VAL 32 HA VAL 32 5.794 4.697 7.286
207 HB VAL 32 HB VAL 32 7.674 5.556 6.081
208 1HG1 VAL 32 HG11 VAL 32 8.162 2.570 6.239
209 2HG1 VAL 32 HG12 VAL 32 8.129 3.625 7.651
210 3HG1 VAL 32 HG13 VAL 32 9.355 3.859 6.406
211 1HG2 VAL 32 HG21 VAL 32 6.911 5.033 3.819
212 2HG2 VAL 32 HG22 VAL 32 7.153 3.311 4.106
213 3HG2 VAL 32 HG23 VAL 32 8.541 4.398 4.041
214 H ARG 33 HN ARG 33 5.488 6.771 5.816
215 HA ARG 33 HA ARG 33 3.458 6.124 3.706
216 1HB ARG 33 HB2 ARG 33 2.934 7.251 6.102
217 2HB ARG 33 HB1 ARG 33 3.332 8.706 5.185
218 1HG ARG 33 HG2 ARG 33 1.731 7.233 3.443
219 2HG ARG 33 HG1 ARG 33 0.964 7.014 5.014
220 1HD ARG 33 HD2 ARG 33 0.706 9.377 5.328
221 2HD ARG 33 HD1 ARG 33 1.785 9.739 3.964
222 HE ARG 33 HE ARG 33 -0.811 8.291 3.584
223 1HH1 ARG 33 HH21 ARG 33 1.549 8.957 1.560
224 2HH1 ARG 33 HH22 ARG 33 0.758 10.182 0.625
225 1HH2 ARG 33 HH11 ARG 33 -1.842 10.602 2.882
226 2HH2 ARG 33 HH12 ARG 33 -1.163 11.112 1.372
227 H SER 34 HN SER 34 3.138 8.184 2.275
228 HA SER 34 HA SER 34 5.399 8.657 0.709
229 1HB SER 34 HB2 SER 34 3.239 9.216 -0.098
230 2HB SER 34 HB1 SER 34 2.900 10.248 1.289
231 HG SER 34 HG SER 34 4.449 10.726 -0.988
232 H GLU 35 HN GLU 35 4.740 10.044 3.834
233 HA GLU 35 HA GLU 35 6.595 12.312 3.364
234 1HB GLU 35 HB2 GLU 35 4.327 11.731 4.991
235 2HB GLU 35 HB1 GLU 35 5.682 12.068 6.070
236 1HG GLU 35 HG2 GLU 35 6.150 14.127 4.651
237 2HG GLU 35 HG1 GLU 35 4.600 13.832 3.862
238 H GLU 36 HN GLU 36 6.848 9.081 4.362
239 HA GLU 36 HA GLU 36 9.293 9.715 5.988
240 1HB GLU 36 HB2 GLU 36 7.036 7.839 6.254
241 2HB GLU 36 HB1 GLU 36 8.614 7.099 6.525
242 1HG GLU 36 HG2 GLU 36 9.097 8.464 8.348
243 2HG GLU 36 HG1 GLU 36 8.005 9.741 7.811
244 H CYS 37 HN CYS 37 7.957 7.742 3.361
245 HA CYS 37 HA CYS 37 10.359 6.167 2.938
246 1HB CYS 37 HB2 CYS 37 7.771 6.010 2.173
247 2HB CYS 37 HB1 CYS 37 8.455 6.734 0.716
248 H LEU 38 HN LEU 38 11.765 6.400 1.003
249 HA LEU 38 HA LEU 38 12.702 9.115 0.639
250 1HB LEU 38 HB2 LEU 38 13.306 6.381 -0.457
251 2HB LEU 38 HB1 LEU 38 14.061 7.797 -1.189
252 HG LEU 38 HG LEU 38 14.406 8.284 1.499
253 1HD1 LEU 38 HD11 LEU 38 15.496 5.608 1.524
254 2HD1 LEU 38 HD12 LEU 38 13.750 5.544 1.282
255 3HD1 LEU 38 HD13 LEU 38 14.416 6.372 2.689
256 1HD2 LEU 38 HD21 LEU 38 15.980 8.248 -0.619
257 2HD2 LEU 38 HD22 LEU 38 16.433 6.658 -0.006
258 3HD2 LEU 38 HD23 LEU 38 16.676 8.090 0.994
259 H SER 39 HN SER 39 11.679 6.814 -1.910
260 HA SER 39 HA SER 39 11.045 8.983 -3.749
261 1HB SER 39 HB2 SER 39 11.166 6.029 -3.685
262 2HB SER 39 HB1 SER 39 9.999 6.694 -4.825
263 HG SER 39 HG SER 39 11.884 6.671 -5.919
264 H GLY 40 HN GLY 40 8.768 8.699 -4.930
265 1HA GLY 40 HA2 GLY 40 6.730 9.105 -2.837
266 2HA GLY 40 HA1 GLY 40 6.526 9.431 -4.559
267 H THR 41 HN THR 41 7.682 6.409 -3.098
268 HA THR 41 HA THR 41 5.473 4.984 -4.504
269 HB THR 41 HB THR 41 7.727 4.247 -4.981
270 HG1 THR 41 HG1 THR 41 6.367 2.528 -4.780
271 1HG2 THR 41 HG21 THR 41 8.912 3.249 -2.774
272 2HG2 THR 41 HG22 THR 41 8.014 4.578 -2.042
273 3HG2 THR 41 HG23 THR 41 9.175 4.901 -3.330
274 H TRP 42 HN TRP 42 3.832 4.027 -3.332
275 HA TRP 42 HA TRP 42 4.261 3.406 -0.457
276 1HB TRP 42 HB2 TRP 42 3.459 5.784 -0.713
277 2HB TRP 42 HB1 TRP 42 1.994 5.151 -1.467
278 HD1 TRP 42 HD1 TRP 42 3.982 4.745 1.818
279 HE1 TRP 42 HE1 TRP 42 2.310 4.270 3.718
280 HE3 TRP 42 HE3 TRP 42 -0.357 4.555 -0.866
281 HZ2 TRP 42 HZ2 TRP 42 -0.509 3.871 4.055
282 HZ3 TRP 42 HZ3 TRP 42 -2.518 4.126 0.267
283 HH2 TRP 42 HH2 TRP 42 -2.602 3.784 2.721
284 H THR 43 HN THR 43 3.237 1.501 0.040
285 HA THR 43 HA THR 43 0.934 0.634 -1.668
286 HB THR 43 HB THR 43 2.827 -0.520 -2.543
287 HG1 THR 43 HG1 THR 43 2.518 -2.685 -1.609
288 1HG2 THR 43 HG21 THR 43 3.624 -1.066 0.329
289 2HG2 THR 43 HG22 THR 43 4.392 0.106 -0.742
290 3HG2 THR 43 HG23 THR 43 4.494 -1.618 -1.101
291 H GLN 44 HN GLN 44 -0.713 -0.344 -0.497
292 HA GLN 44 HA GLN 44 -0.217 -0.815 2.428
293 1HB GLN 44 HB2 GLN 44 -2.569 -0.090 2.708
294 2HB GLN 44 HB1 GLN 44 -1.630 1.153 1.878
295 1HG GLN 44 HG2 GLN 44 -2.488 0.426 -0.280
296 2HG GLN 44 HG1 GLN 44 -3.331 -0.927 0.475
297 1HE2 GLN 44 HE21 GLN 44 -4.408 0.409 2.765
298 2HE2 GLN 44 HE22 GLN 44 -5.542 1.555 2.235
299 H GLN 45 HN GLN 45 -0.100 -2.679 0.007
300 HA GLN 45 HA GLN 45 -1.729 -4.838 1.200
301 1HB GLN 45 HB2 GLN 45 -2.412 -3.296 -1.214
302 2HB GLN 45 HB1 GLN 45 -2.423 -5.042 -1.466
303 1HG GLN 45 HG2 GLN 45 -3.911 -5.317 0.484
304 2HG GLN 45 HG1 GLN 45 -3.908 -3.570 0.730
305 1HE2 GLN 45 HE21 GLN 45 -5.000 -2.226 -0.908
306 2HE2 GLN 45 HE22 GLN 45 -6.127 -2.910 -1.977
307 H ILE 46 HN ILE 46 0.047 -6.211 1.434
308 HA ILE 46 HA ILE 46 1.328 -7.174 -1.066
309 HB ILE 46 HB ILE 46 2.608 -5.211 -0.091
310 1HG1 ILE 46 HG12 ILE 46 4.660 -7.149 0.258
311 2HG1 ILE 46 HG11 ILE 46 3.546 -7.787 -0.952
312 1HG2 ILE 46 HG21 ILE 46 2.083 -6.009 2.304
313 2HG2 ILE 46 HG22 ILE 46 3.719 -5.430 1.994
314 3HG2 ILE 46 HG23 ILE 46 3.399 -7.162 2.075
315 1HD1 ILE 46 HD11 ILE 46 5.041 -6.485 -2.225
316 2HD1 ILE 46 HD12 ILE 46 5.103 -5.207 -1.011
317 3HD1 ILE 46 HD13 ILE 46 3.657 -5.416 -2.000
318 H CYS 47 HN CYS 47 0.942 -7.480 2.458
319 HA CYS 47 HA CYS 47 1.434 -10.428 2.169
320 1HB CYS 47 HB2 CYS 47 2.226 -10.235 4.551
321 2HB CYS 47 HB1 CYS 47 3.198 -9.300 3.415
322 H LEU 48 HN LEU 48 0.118 -11.780 3.610
323 HA LEU 48 HA LEU 48 -2.575 -10.623 4.065
324 1HB LEU 48 HB2 LEU 48 -1.470 -13.445 4.283
325 2HB LEU 48 HB1 LEU 48 -3.175 -13.012 4.361
326 HG LEU 48 HG LEU 48 -3.016 -13.581 2.126
327 1HD1 LEU 48 HD11 LEU 48 -1.997 -10.728 1.986
328 2HD1 LEU 48 HD12 LEU 48 -3.676 -11.161 2.311
329 3HD1 LEU 48 HD13 LEU 48 -2.942 -11.580 0.763
330 1HD2 LEU 48 HD21 LEU 48 -1.009 -14.077 1.248
331 2HD2 LEU 48 HD22 LEU 48 -0.235 -13.327 2.644
332 3HD2 LEU 48 HD23 LEU 48 -0.581 -12.368 1.205
Start of MODEL 12
1 1H GLY 1 HT1 GLY 1 -0.831 9.061 21.476
2 2H GLY 1 HT2 GLY 1 -2.340 8.283 21.531
3 3H GLY 1 HT3 GLY 1 -2.083 9.569 20.453
4 1HA GLY 1 HA2 GLY 1 -1.615 8.051 18.917
5 2HA GLY 1 HA1 GLY 1 -0.109 7.811 19.803
6 H SER 2 HN SER 2 0.235 5.685 20.184
7 HA SER 2 HA SER 2 -0.186 3.429 20.744
8 1HB SER 2 HB2 SER 2 -0.899 4.172 22.852
9 2HB SER 2 HB1 SER 2 -2.270 5.054 22.185
10 HG SER 2 HG SER 2 -3.079 3.206 23.085
11 H ALA 3 HN ALA 3 -0.805 2.122 19.065
12 HA ALA 3 HA ALA 3 -2.252 0.984 17.574
13 1HB ALA 3 HB1 ALA 3 -3.671 1.305 19.778
14 2HB ALA 3 HB2 ALA 3 -4.470 0.795 18.290
15 3HB ALA 3 HB3 ALA 3 -4.550 2.481 18.801
16 H MET 4 HN MET 4 -3.796 4.171 18.139
17 HA MET 4 HA MET 4 -4.708 4.710 15.564
18 1HB MET 4 HB2 MET 4 -4.299 6.057 18.002
19 2HB MET 4 HB1 MET 4 -3.509 7.056 16.783
20 1HG MET 4 HG2 MET 4 -5.494 7.739 15.964
21 2HG MET 4 HG1 MET 4 -6.055 6.076 15.803
22 1HE MET 4 HE1 MET 4 -6.475 5.260 19.508
23 2HE MET 4 HE2 MET 4 -5.992 4.739 17.895
24 3HE MET 4 HE3 MET 4 -7.702 4.883 18.290
25 H GLY 5 HN GLY 5 -3.169 3.847 14.034
26 1HA GLY 5 HA2 GLY 5 -1.668 5.136 12.382
27 2HA GLY 5 HA1 GLY 5 -0.628 5.398 13.784
28 H CYS 6 HN CYS 6 -0.559 3.670 11.141
29 HA CYS 6 HA CYS 6 -0.046 1.003 12.313
30 1HB CYS 6 HB2 CYS 6 0.425 0.472 9.851
31 2HB CYS 6 HB1 CYS 6 -1.213 0.990 10.235
32 H ARG 7 HN ARG 7 1.725 3.830 11.885
33 HA ARG 7 HA ARG 7 4.276 2.763 11.044
34 1HB ARG 7 HB2 ARG 7 3.264 5.211 11.290
35 2HB ARG 7 HB1 ARG 7 3.994 5.111 12.892
36 1HG ARG 7 HG2 ARG 7 6.003 5.574 11.992
37 2HG ARG 7 HG1 ARG 7 5.896 4.101 11.027
38 1HD ARG 7 HD2 ARG 7 6.155 5.885 9.441
39 2HD ARG 7 HD1 ARG 7 4.428 5.479 9.403
40 HE ARG 7 HE ARG 7 5.040 7.470 11.432
41 1HH1 ARG 7 HH21 ARG 7 3.019 6.869 8.926
42 2HH1 ARG 7 HH22 ARG 7 3.024 8.465 8.256
43 1HH2 ARG 7 HH11 ARG 7 5.667 9.564 10.212
44 2HH2 ARG 7 HH12 ARG 7 4.524 9.990 8.983
45 H HIS 8 HN HIS 8 2.489 2.658 14.004
46 HA HIS 8 HA HIS 8 4.894 1.976 15.616
47 1HB HIS 8 HB2 HIS 8 3.680 3.110 17.157
48 2HB HIS 8 HB1 HIS 8 2.355 3.260 16.010
49 HD1 HIS 8 HD1 HIS 8 3.515 1.269 18.955
50 HD2 HIS 8 HD2 HIS 8 0.289 1.285 16.316
51 HE1 HIS 8 HE1 HIS 8 1.763 -0.262 19.957
52 H PHE 9 HN PHE 9 2.367 0.472 13.846
53 HA PHE 9 HA PHE 9 1.812 -1.890 15.282
54 1HB PHE 9 HB2 PHE 9 2.096 -1.203 12.354
55 2HB PHE 9 HB1 PHE 9 1.589 -2.809 12.869
56 HD1 PHE 9 HD1 PHE 9 -0.414 -1.830 11.346
57 HD2 PHE 9 HD2 PHE 9 0.508 -0.572 15.346
58 HE1 PHE 9 HE1 PHE 9 -2.737 -1.015 11.623
59 HE2 PHE 9 HE2 PHE 9 -1.815 0.245 15.624
60 HZ PHE 9 HZ PHE 9 -3.438 0.023 13.764
61 H GLN 10 HN GLN 10 2.679 -4.132 14.227
62 HA GLN 10 HA GLN 10 5.585 -4.165 14.794
63 1HB GLN 10 HB2 GLN 10 3.352 -6.171 14.497
64 2HB GLN 10 HB1 GLN 10 5.032 -6.706 14.529
65 1HG GLN 10 HG2 GLN 10 4.681 -4.819 16.642
66 2HG GLN 10 HG1 GLN 10 3.366 -5.990 16.742
67 1HE2 GLN 10 HE21 GLN 10 5.013 -6.278 18.824
68 2HE2 GLN 10 HE22 GLN 10 6.113 -7.556 18.624
69 H SER 11 HN SER 11 4.088 -6.417 12.561
70 HA SER 11 HA SER 11 6.084 -5.657 10.494
71 1HB SER 11 HB2 SER 11 4.266 -7.895 9.961
72 2HB SER 11 HB1 SER 11 6.026 -7.877 10.022
73 HG SER 11 HG SER 11 4.432 -8.908 11.782
74 H CYS 12 HN CYS 12 4.400 -6.801 8.350
75 HA CYS 12 HA CYS 12 2.841 -4.364 7.735
76 1HB CYS 12 HB2 CYS 12 2.818 -5.311 5.494
77 2HB CYS 12 HB1 CYS 12 4.444 -5.486 6.153
78 H SER 13 HN SER 13 2.191 -7.205 9.343
79 HA SER 13 HA SER 13 -0.301 -8.055 8.192
80 1HB SER 13 HB2 SER 13 1.330 -9.109 9.956
81 2HB SER 13 HB1 SER 13 0.380 -8.195 11.124
82 HG SER 13 HG SER 13 -0.205 -10.515 10.095
83 H GLN 14 HN GLN 14 0.257 -6.147 11.184
84 HA GLN 14 HA GLN 14 -2.494 -5.308 11.411
85 1HB GLN 14 HB2 GLN 14 -0.533 -5.464 13.131
86 2HB GLN 14 HB1 GLN 14 -0.118 -3.850 12.555
87 1HG GLN 14 HG2 GLN 14 -1.696 -2.997 13.910
88 2HG GLN 14 HG1 GLN 14 -2.919 -3.861 12.978
89 1HE2 GLN 14 HE21 GLN 14 -4.212 -5.071 14.361
90 2HE2 GLN 14 HE22 GLN 14 -3.660 -5.922 15.721
91 H CYS 15 HN CYS 15 0.377 -3.911 9.890
92 HA CYS 15 HA CYS 15 -0.438 -1.247 9.497
93 1HB CYS 15 HB2 CYS 15 1.264 -3.247 8.055
94 2HB CYS 15 HB1 CYS 15 0.944 -1.702 7.267
95 H LEU 16 HN LEU 16 -1.000 -4.022 7.290
96 HA LEU 16 HA LEU 16 -2.919 -2.386 5.733
97 1HB LEU 16 HB2 LEU 16 -1.540 -5.050 5.462
98 2HB LEU 16 HB1 LEU 16 -2.902 -4.645 4.418
99 HG LEU 16 HG LEU 16 -1.752 -2.617 3.660
100 1HD1 LEU 16 HD11 LEU 16 -0.466 -1.908 5.507
101 2HD1 LEU 16 HD12 LEU 16 0.746 -2.473 4.357
102 3HD1 LEU 16 HD13 LEU 16 0.273 -3.495 5.715
103 1HD2 LEU 16 HD21 LEU 16 -0.146 -3.683 2.275
104 2HD2 LEU 16 HD22 LEU 16 -1.300 -4.959 2.664
105 3HD2 LEU 16 HD23 LEU 16 0.245 -4.879 3.511
106 H SER 17 HN SER 17 -3.056 -4.346 8.461
107 HA SER 17 HA SER 17 -5.695 -5.547 7.820
108 1HB SER 17 HB2 SER 17 -3.696 -5.702 10.074
109 2HB SER 17 HB1 SER 17 -5.300 -6.408 10.233
110 HG SER 17 HG SER 17 -4.864 -7.749 8.529
111 H ALA 18 HN ALA 18 -4.478 -2.649 9.087
112 HA ALA 18 HA ALA 18 -7.158 -1.978 10.215
113 1HB ALA 18 HB1 ALA 18 -4.451 -1.873 11.554
114 2HB ALA 18 HB2 ALA 18 -5.935 -2.616 12.150
115 3HB ALA 18 HB3 ALA 18 -5.783 -0.859 12.109
116 HA PRO 19 HA PRO 19 -5.116 1.256 7.558
117 1HB PRO 19 HB2 PRO 19 -7.049 1.378 5.626
118 2HB PRO 19 HB1 PRO 19 -5.652 0.287 5.558
119 1HG PRO 19 HG2 PRO 19 -8.468 -0.293 6.260
120 2HG PRO 19 HG1 PRO 19 -7.273 -1.304 5.444
121 1HD PRO 19 HD2 PRO 19 -8.002 -1.558 8.098
122 2HD PRO 19 HD1 PRO 19 -6.490 -2.168 7.394
123 HA PRO 20 HA PRO 20 -9.178 3.688 8.355
124 1HB PRO 20 HB2 PRO 20 -10.855 2.686 10.266
125 2HB PRO 20 HB1 PRO 20 -11.033 2.329 8.537
126 1HG PRO 20 HG2 PRO 20 -9.886 0.660 10.705
127 2HG PRO 20 HG1 PRO 20 -10.838 0.182 9.294
128 1HD PRO 20 HD2 PRO 20 -8.121 -0.090 9.495
129 2HD PRO 20 HD1 PRO 20 -9.002 0.020 7.960
130 H PHE 21 HN PHE 21 -7.638 1.841 10.942
131 HA PHE 21 HA PHE 21 -7.748 4.188 12.768
132 1HB PHE 21 HB2 PHE 21 -6.567 1.436 13.218
133 2HB PHE 21 HB1 PHE 21 -7.096 2.590 14.441
134 HD1 PHE 21 HD1 PHE 21 -7.989 -0.357 12.849
135 HD2 PHE 21 HD2 PHE 21 -9.661 3.434 13.981
136 HE1 PHE 21 HE1 PHE 21 -10.262 -1.347 12.805
137 HE2 PHE 21 HE2 PHE 21 -11.935 2.444 13.935
138 HZ PHE 21 HZ PHE 21 -12.235 0.053 13.349
139 H VAL 22 HN VAL 22 -5.933 3.656 10.225
140 HA VAL 22 HA VAL 22 -3.445 4.669 11.524
141 HB VAL 22 HB VAL 22 -2.120 2.971 10.437
142 1HG1 VAL 22 HG11 VAL 22 -4.617 1.735 11.636
143 2HG1 VAL 22 HG12 VAL 22 -3.192 2.263 12.530
144 3HG1 VAL 22 HG13 VAL 22 -3.078 0.904 11.413
145 1HG2 VAL 22 HG21 VAL 22 -3.326 1.201 9.056
146 2HG2 VAL 22 HG22 VAL 22 -3.219 2.797 8.312
147 3HG2 VAL 22 HG23 VAL 22 -4.726 2.274 9.065
148 H GLN 23 HN GLN 23 -1.828 5.248 9.660
149 HA GLN 23 HA GLN 23 -3.282 6.200 7.232
150 1HB GLN 23 HB2 GLN 23 -2.694 8.416 7.621
151 2HB GLN 23 HB1 GLN 23 -2.899 7.855 9.278
152 1HG GLN 23 HG2 GLN 23 -0.321 7.223 9.008
153 2HG GLN 23 HG1 GLN 23 -0.383 8.495 7.787
154 1HE2 GLN 23 HE21 GLN 23 -0.345 7.874 11.212
155 2HE2 GLN 23 HE22 GLN 23 -0.490 9.488 11.715
156 H CYS 24 HN CYS 24 -0.248 5.257 8.779
157 HA CYS 24 HA CYS 24 1.442 5.752 6.497
158 1HB CYS 24 HB2 CYS 24 3.100 4.841 7.866
159 2HB CYS 24 HB1 CYS 24 1.918 5.374 9.056
160 H GLY 25 HN GLY 25 2.687 3.787 5.544
161 1HA GLY 25 HA2 GLY 25 0.977 1.421 5.065
162 2HA GLY 25 HA1 GLY 25 1.381 2.410 3.661
163 H TRP 26 HN TRP 26 2.377 0.040 3.270
164 HA TRP 26 HA TRP 26 5.011 -0.278 4.580
165 1HB TRP 26 HB2 TRP 26 3.203 -2.047 3.789
166 2HB TRP 26 HB1 TRP 26 4.014 -1.873 2.236
167 HD1 TRP 26 HD1 TRP 26 6.301 -3.031 1.932
168 HE1 TRP 26 HE1 TRP 26 7.807 -4.466 3.454
169 HE3 TRP 26 HE3 TRP 26 3.948 -2.337 6.401
170 HZ2 TRP 26 HZ2 TRP 26 7.988 -5.220 6.207
171 HZ3 TRP 26 HZ3 TRP 26 4.798 -3.426 8.459
172 HH2 TRP 26 HH2 TRP 26 6.815 -4.867 8.367
173 H CYS 27 HN CYS 27 6.966 0.260 3.577
174 HA CYS 27 HA CYS 27 6.831 1.239 0.748
175 1HB CYS 27 HB2 CYS 27 6.773 2.843 2.916
176 2HB CYS 27 HB1 CYS 27 8.516 2.687 2.721
177 H HIS 28 HN HIS 28 8.067 -0.454 -0.104
178 HA HIS 28 HA HIS 28 10.011 -1.670 -0.637
179 1HB HIS 28 HB2 HIS 28 10.560 0.762 -1.001
180 2HB HIS 28 HB1 HIS 28 11.311 0.768 0.595
181 HD1 HIS 28 HD1 HIS 28 13.727 1.033 -0.211
182 HD2 HIS 28 HD2 HIS 28 11.801 -2.257 -1.897
183 HE1 HIS 28 HE1 HIS 28 15.516 -0.318 -1.389
184 H ASP 29 HN ASP 29 9.138 -1.448 2.556
185 HA ASP 29 HA ASP 29 10.756 -3.577 3.438
186 1HB ASP 29 HB2 ASP 29 12.326 -2.026 4.908
187 2HB ASP 29 HB1 ASP 29 12.752 -2.412 3.242
188 H LYS 30 HN LYS 30 10.574 -0.575 5.331
189 HA LYS 30 HA LYS 30 8.991 -2.021 7.359
190 1HB LYS 30 HB2 LYS 30 9.755 -0.323 8.808
191 2HB LYS 30 HB1 LYS 30 11.085 -0.516 7.666
192 1HG LYS 30 HG2 LYS 30 9.628 1.336 6.344
193 2HG LYS 30 HG1 LYS 30 9.189 1.741 8.005
194 1HD LYS 30 HD2 LYS 30 12.077 1.258 7.409
195 2HD LYS 30 HD1 LYS 30 11.366 2.776 6.861
196 1HE LYS 30 HE2 LYS 30 10.390 2.858 9.322
197 2HE LYS 30 HE1 LYS 30 11.758 1.779 9.664
198 1HZ LYS 30 HZ1 LYS 30 13.183 3.367 8.432
199 2HZ LYS 30 HZ2 LYS 30 12.520 4.027 9.850
200 3HZ LYS 30 HZ3 LYS 30 11.869 4.435 8.335
201 H CYS 31 HN CYS 31 7.350 -0.411 8.532
202 HA CYS 31 HA CYS 31 5.311 0.239 6.493
203 1HB CYS 31 HB2 CYS 31 5.162 -1.110 8.754
204 2HB CYS 31 HB1 CYS 31 4.981 0.493 9.465
205 H VAL 32 HN VAL 32 5.655 2.282 5.642
206 HA VAL 32 HA VAL 32 5.470 4.569 7.532
207 HB VAL 32 HB VAL 32 7.446 5.590 6.736
208 1HG1 VAL 32 HG11 VAL 32 7.988 2.608 6.709
209 2HG1 VAL 32 HG12 VAL 32 7.971 3.644 8.136
210 3HG1 VAL 32 HG13 VAL 32 9.211 3.864 6.901
211 1HG2 VAL 32 HG21 VAL 32 8.555 4.096 4.696
212 2HG2 VAL 32 HG22 VAL 32 7.635 5.585 4.472
213 3HG2 VAL 32 HG23 VAL 32 6.833 4.023 4.325
214 H ARG 33 HN ARG 33 5.117 6.658 6.122
215 HA ARG 33 HA ARG 33 3.342 5.907 3.826
216 1HB ARG 33 HB2 ARG 33 2.662 7.109 6.122
217 2HB ARG 33 HB1 ARG 33 3.174 8.541 5.233
218 1HG ARG 33 HG2 ARG 33 1.694 7.451 3.310
219 2HG ARG 33 HG1 ARG 33 0.896 6.682 4.682
220 1HD ARG 33 HD2 ARG 33 -0.330 8.623 4.726
221 2HD ARG 33 HD1 ARG 33 1.092 9.279 5.564
222 HE ARG 33 HE ARG 33 1.841 10.239 3.476
223 1HH1 ARG 33 HH21 ARG 33 0.889 8.091 1.625
224 2HH1 ARG 33 HH22 ARG 33 -0.415 8.874 0.797
225 1HH2 ARG 33 HH11 ARG 33 -0.708 11.428 3.124
226 2HH2 ARG 33 HH12 ARG 33 -1.321 10.765 1.647
227 H SER 34 HN SER 34 3.234 7.617 2.084
228 HA SER 34 HA SER 34 5.587 8.135 0.761
229 1HB SER 34 HB2 SER 34 2.880 9.255 0.869
230 2HB SER 34 HB1 SER 34 4.070 10.408 0.270
231 HG SER 34 HG SER 34 4.285 9.249 -1.476
232 H GLU 35 HN GLU 35 4.199 10.122 3.367
233 HA GLU 35 HA GLU 35 5.981 12.334 3.219
234 1HB GLU 35 HB2 GLU 35 3.816 11.807 4.612
235 2HB GLU 35 HB1 GLU 35 4.956 11.186 5.806
236 1HG GLU 35 HG2 GLU 35 5.151 13.321 6.520
237 2HG GLU 35 HG1 GLU 35 6.081 13.609 5.049
238 H GLU 36 HN GLU 36 6.474 9.076 4.361
239 HA GLU 36 HA GLU 36 9.102 9.864 5.567
240 1HB GLU 36 HB2 GLU 36 7.033 8.463 6.626
241 2HB GLU 36 HB1 GLU 36 7.962 7.146 5.913
242 1HG GLU 36 HG2 GLU 36 9.368 9.235 7.549
243 2HG GLU 36 HG1 GLU 36 8.509 7.923 8.359
244 H CYS 37 HN CYS 37 7.619 8.227 2.920
245 HA CYS 37 HA CYS 37 9.706 6.309 2.339
246 1HB CYS 37 HB2 CYS 37 7.530 7.658 0.712
247 2HB CYS 37 HB1 CYS 37 8.544 6.365 0.075
248 H LEU 38 HN LEU 38 11.365 6.507 0.705
249 HA LEU 38 HA LEU 38 12.664 9.089 0.584
250 1HB LEU 38 HB2 LEU 38 13.066 6.461 -0.878
251 2HB LEU 38 HB1 LEU 38 14.211 7.802 -0.919
252 HG LEU 38 HG LEU 38 13.284 6.811 1.747
253 1HD1 LEU 38 HD11 LEU 38 14.713 4.954 1.776
254 2HD1 LEU 38 HD12 LEU 38 15.633 5.518 0.382
255 3HD1 LEU 38 HD13 LEU 38 14.012 4.860 0.161
256 1HD2 LEU 38 HD21 LEU 38 15.359 7.687 2.469
257 2HD2 LEU 38 HD22 LEU 38 14.835 8.825 1.228
258 3HD2 LEU 38 HD23 LEU 38 16.054 7.608 0.850
259 H SER 39 HN SER 39 11.525 7.035 -2.126
260 HA SER 39 HA SER 39 11.264 9.445 -3.825
261 1HB SER 39 HB2 SER 39 12.115 6.877 -4.230
262 2HB SER 39 HB1 SER 39 10.454 6.769 -4.805
263 HG SER 39 HG SER 39 12.455 7.674 -6.140
264 H GLY 40 HN GLY 40 9.138 8.722 -5.457
265 1HA GLY 40 HA2 GLY 40 6.852 9.183 -3.633
266 2HA GLY 40 HA1 GLY 40 6.830 9.390 -5.385
267 H THR 41 HN THR 41 7.639 6.652 -3.216
268 HA THR 41 HA THR 41 5.679 5.001 -4.781
269 HB THR 41 HB THR 41 8.088 4.588 -5.314
270 HG1 THR 41 HG1 THR 41 7.972 2.313 -4.820
271 1HG2 THR 41 HG21 THR 41 8.374 3.470 -2.536
272 2HG2 THR 41 HG22 THR 41 8.730 5.167 -2.853
273 3HG2 THR 41 HG23 THR 41 9.635 3.906 -3.689
274 H TRP 42 HN TRP 42 4.095 4.219 -3.456
275 HA TRP 42 HA TRP 42 4.786 3.476 -0.646
276 1HB TRP 42 HB2 TRP 42 3.928 5.802 -0.708
277 2HB TRP 42 HB1 TRP 42 2.486 5.245 -1.555
278 HD1 TRP 42 HD1 TRP 42 4.311 4.739 1.805
279 HE1 TRP 42 HE1 TRP 42 2.550 4.167 3.597
280 HE3 TRP 42 HE3 TRP 42 0.137 4.481 -1.121
281 HZ2 TRP 42 HZ2 TRP 42 -0.265 3.666 3.763
282 HZ3 TRP 42 HZ3 TRP 42 -2.070 3.957 -0.123
283 HH2 TRP 42 HH2 TRP 42 -2.276 3.549 2.314
284 H THR 43 HN THR 43 3.959 1.445 -0.241
285 HA THR 43 HA THR 43 1.672 0.514 -1.950
286 HB THR 43 HB THR 43 3.707 -0.671 -2.462
287 HG1 THR 43 HG1 THR 43 1.626 -1.842 -1.705
288 1HG2 THR 43 HG21 THR 43 5.000 -1.816 -0.654
289 2HG2 THR 43 HG22 THR 43 3.979 -1.011 0.536
290 3HG2 THR 43 HG23 THR 43 5.027 -0.058 -0.515
291 H GLN 44 HN GLN 44 -0.088 -0.399 -0.889
292 HA GLN 44 HA GLN 44 0.098 -0.660 2.093
293 1HB GLN 44 HB2 GLN 44 -1.122 1.376 0.878
294 2HB GLN 44 HB1 GLN 44 -2.426 0.198 0.732
295 1HG GLN 44 HG2 GLN 44 -1.512 -0.084 3.364
296 2HG GLN 44 HG1 GLN 44 -1.530 1.656 3.081
297 1HE2 GLN 44 HE21 GLN 44 -3.489 2.436 3.886
298 2HE2 GLN 44 HE22 GLN 44 -5.004 1.722 3.608
299 H GLN 45 HN GLN 45 0.139 -2.626 -0.284
300 HA GLN 45 HA GLN 45 -1.822 -4.506 0.901
301 1HB GLN 45 HB2 GLN 45 -2.725 -4.926 -1.444
302 2HB GLN 45 HB1 GLN 45 -3.145 -3.356 -0.759
303 1HG GLN 45 HG2 GLN 45 -1.100 -2.417 -1.938
304 2HG GLN 45 HG1 GLN 45 -0.978 -3.959 -2.784
305 1HE2 GLN 45 HE21 GLN 45 -2.485 -0.884 -2.868
306 2HE2 GLN 45 HE22 GLN 45 -3.641 -1.226 -4.063
307 H ILE 46 HN ILE 46 -0.234 -6.033 1.391
308 HA ILE 46 HA ILE 46 1.078 -7.362 -0.911
309 HB ILE 46 HB ILE 46 2.614 -5.572 -0.197
310 1HG1 ILE 46 HG12 ILE 46 4.094 -7.766 1.011
311 2HG1 ILE 46 HG11 ILE 46 3.199 -8.307 -0.410
312 1HG2 ILE 46 HG21 ILE 46 2.604 -6.952 2.503
313 2HG2 ILE 46 HG22 ILE 46 1.721 -5.465 2.156
314 3HG2 ILE 46 HG23 ILE 46 3.482 -5.487 2.064
315 1HD1 ILE 46 HD11 ILE 46 4.473 -7.076 -1.839
316 2HD1 ILE 46 HD12 ILE 46 5.643 -7.092 -0.519
317 3HD1 ILE 46 HD13 ILE 46 4.567 -5.710 -0.727
318 H CYS 47 HN CYS 47 0.563 -7.252 2.607
319 HA CYS 47 HA CYS 47 0.466 -10.251 2.604
320 1HB CYS 47 HB2 CYS 47 1.700 -10.211 4.680
321 2HB CYS 47 HB1 CYS 47 2.564 -9.167 3.553
322 H LEU 48 HN LEU 48 -1.224 -11.130 3.852
323 HA LEU 48 HA LEU 48 -3.138 -9.146 5.022
324 1HB LEU 48 HB2 LEU 48 -3.311 -11.574 3.371
325 2HB LEU 48 HB1 LEU 48 -4.461 -11.550 4.708
326 HG LEU 48 HG LEU 48 -4.917 -9.093 3.928
327 1HD1 LEU 48 HD11 LEU 48 -3.527 -10.349 1.559
328 2HD1 LEU 48 HD12 LEU 48 -3.224 -8.776 2.296
329 3HD1 LEU 48 HD13 LEU 48 -4.694 -9.041 1.358
330 1HD2 LEU 48 HD21 LEU 48 -5.815 -11.550 2.398
331 2HD2 LEU 48 HD22 LEU 48 -6.597 -9.974 2.277
332 3HD2 LEU 48 HD23 LEU 48 -6.595 -10.843 3.812
Start of MODEL 13
1 1H GLY 1 HT1 GLY 1 -9.721 10.359 16.250
2 2H GLY 1 HT2 GLY 1 -8.254 9.528 16.046
3 3H GLY 1 HT3 GLY 1 -9.679 8.925 15.346
4 1HA GLY 1 HA2 GLY 1 -9.689 10.435 13.655
5 2HA GLY 1 HA1 GLY 1 -8.794 11.621 14.608
6 H SER 2 HN SER 2 -6.496 11.364 14.818
7 HA SER 2 HA SER 2 -5.312 9.664 12.659
8 1HB SER 2 HB2 SER 2 -4.931 12.369 13.704
9 2HB SER 2 HB1 SER 2 -3.412 11.488 13.573
10 HG SER 2 HG SER 2 -4.716 12.651 11.647
11 H ALA 3 HN ALA 3 -3.632 11.070 15.430
12 HA ALA 3 HA ALA 3 -2.449 10.041 17.206
13 1HB ALA 3 HB1 ALA 3 -4.837 8.572 16.736
14 2HB ALA 3 HB2 ALA 3 -3.878 8.613 18.215
15 3HB ALA 3 HB3 ALA 3 -3.554 7.389 16.986
16 H MET 4 HN MET 4 -1.538 7.367 17.389
17 HA MET 4 HA MET 4 0.086 7.078 14.882
18 1HB MET 4 HB2 MET 4 0.809 7.022 17.811
19 2HB MET 4 HB1 MET 4 1.853 6.272 16.604
20 1HG MET 4 HG2 MET 4 1.907 8.443 15.366
21 2HG MET 4 HG1 MET 4 0.977 9.174 16.674
22 1HE MET 4 HE1 MET 4 1.604 10.166 18.306
23 2HE MET 4 HE2 MET 4 3.027 11.028 17.727
24 3HE MET 4 HE3 MET 4 3.101 10.141 19.247
25 H GLY 5 HN GLY 5 -0.850 5.246 13.972
26 1HA GLY 5 HA2 GLY 5 -1.027 2.833 15.735
27 2HA GLY 5 HA1 GLY 5 -2.226 3.163 14.484
28 H CYS 6 HN CYS 6 -1.213 3.462 12.217
29 HA CYS 6 HA CYS 6 0.093 1.090 11.402
30 1HB CYS 6 HB2 CYS 6 -1.213 2.647 9.974
31 2HB CYS 6 HB1 CYS 6 0.082 3.833 10.100
32 H ARG 7 HN ARG 7 1.482 4.349 11.949
33 HA ARG 7 HA ARG 7 4.207 3.584 11.413
34 1HB ARG 7 HB2 ARG 7 2.740 5.823 12.773
35 2HB ARG 7 HB1 ARG 7 4.489 5.716 12.973
36 1HG ARG 7 HG2 ARG 7 4.901 6.010 10.687
37 2HG ARG 7 HG1 ARG 7 3.271 5.514 10.231
38 1HD ARG 7 HD2 ARG 7 3.254 7.854 11.992
39 2HD ARG 7 HD1 ARG 7 4.125 8.147 10.474
40 HE ARG 7 HE ARG 7 1.340 7.045 10.577
41 1HH1 ARG 7 HH11 ARG 7 3.942 7.949 8.622
42 2HH1 ARG 7 HH12 ARG 7 2.994 8.861 7.495
43 1HH2 ARG 7 HH21 ARG 7 0.070 8.608 9.342
44 2HH2 ARG 7 HH22 ARG 7 0.802 9.237 7.903
45 H HIS 8 HN HIS 8 2.080 3.055 14.077
46 HA HIS 8 HA HIS 8 4.221 2.639 16.062
47 1HB HIS 8 HB2 HIS 8 2.202 3.556 16.903
48 2HB HIS 8 HB1 HIS 8 1.206 2.447 15.960
49 HD1 HIS 8 HD1 HIS 8 3.271 2.649 19.088
50 HD2 HIS 8 HD2 HIS 8 0.890 -0.142 17.105
51 HE1 HIS 8 HE1 HIS 8 2.919 0.730 20.704
52 H PHE 9 HN PHE 9 2.683 0.837 13.594
53 HA PHE 9 HA PHE 9 2.811 -1.800 14.827
54 1HB PHE 9 HB2 PHE 9 2.624 -0.828 11.955
55 2HB PHE 9 HB1 PHE 9 2.374 -2.498 12.459
56 HD1 PHE 9 HD1 PHE 9 0.193 -1.338 11.037
57 HD2 PHE 9 HD2 PHE 9 1.180 -0.891 15.195
58 HE1 PHE 9 HE1 PHE 9 -2.178 -0.822 11.544
59 HE2 PHE 9 HE2 PHE 9 -1.193 -0.374 15.700
60 HZ PHE 9 HZ PHE 9 -2.872 -0.339 13.876
61 H GLN 10 HN GLN 10 4.237 -3.525 13.635
62 HA GLN 10 HA GLN 10 6.973 -2.372 13.185
63 1HB GLN 10 HB2 GLN 10 7.831 -4.278 14.386
64 2HB GLN 10 HB1 GLN 10 6.506 -3.624 15.350
65 1HG GLN 10 HG2 GLN 10 4.978 -5.299 14.240
66 2HG GLN 10 HG1 GLN 10 6.409 -6.027 13.506
67 1HE2 GLN 10 HE21 GLN 10 6.933 -7.876 14.678
68 2HE2 GLN 10 HE22 GLN 10 6.930 -7.988 16.371
69 H SER 11 HN SER 11 4.628 -4.871 12.274
70 HA SER 11 HA SER 11 6.353 -5.549 9.915
71 1HB SER 11 HB2 SER 11 4.182 -7.107 11.353
72 2HB SER 11 HB1 SER 11 5.107 -7.697 9.975
73 HG SER 11 HG SER 11 7.001 -7.172 11.366
74 H CYS 12 HN CYS 12 4.481 -6.725 8.296
75 HA CYS 12 HA CYS 12 2.894 -4.400 7.384
76 1HB CYS 12 HB2 CYS 12 2.606 -5.854 5.390
77 2HB CYS 12 HB1 CYS 12 4.305 -5.726 5.850
78 H SER 13 HN SER 13 2.415 -7.334 9.152
79 HA SER 13 HA SER 13 -0.175 -8.155 8.487
80 1HB SER 13 HB2 SER 13 1.322 -7.931 11.102
81 2HB SER 13 HB1 SER 13 -0.256 -8.708 11.002
82 HG SER 13 HG SER 13 2.140 -9.399 9.650
83 H GLN 14 HN GLN 14 0.568 -5.815 11.116
84 HA GLN 14 HA GLN 14 -2.211 -4.932 11.237
85 1HB GLN 14 HB2 GLN 14 -0.324 -5.046 13.046
86 2HB GLN 14 HB1 GLN 14 0.162 -3.481 12.392
87 1HG GLN 14 HG2 GLN 14 -1.342 -2.808 14.031
88 2HG GLN 14 HG1 GLN 14 -2.415 -2.934 12.637
89 1HE2 GLN 14 HE21 GLN 14 -1.516 -4.461 15.700
90 2HE2 GLN 14 HE22 GLN 14 -2.809 -5.562 15.734
91 H CYS 15 HN CYS 15 0.785 -3.736 9.778
92 HA CYS 15 HA CYS 15 0.164 -1.095 9.137
93 1HB CYS 15 HB2 CYS 15 2.202 -2.628 8.613
94 2HB CYS 15 HB1 CYS 15 1.331 -3.038 7.137
95 H LEU 16 HN LEU 16 -1.039 -4.065 7.608
96 HA LEU 16 HA LEU 16 -2.805 -2.402 5.850
97 1HB LEU 16 HB2 LEU 16 -1.520 -5.118 5.659
98 2HB LEU 16 HB1 LEU 16 -2.925 -4.731 4.664
99 HG LEU 16 HG LEU 16 -1.602 -2.569 4.054
100 1HD1 LEU 16 HD11 LEU 16 0.379 -4.205 5.539
101 2HD1 LEU 16 HD12 LEU 16 0.306 -2.457 5.312
102 3HD1 LEU 16 HD13 LEU 16 0.949 -3.487 4.033
103 1HD2 LEU 16 HD21 LEU 16 -0.424 -3.806 2.236
104 2HD2 LEU 16 HD22 LEU 16 -2.086 -4.355 2.451
105 3HD2 LEU 16 HD23 LEU 16 -0.751 -5.317 3.085
106 H SER 17 HN SER 17 -2.836 -4.539 8.569
107 HA SER 17 HA SER 17 -5.565 -5.547 8.095
108 1HB SER 17 HB2 SER 17 -3.739 -6.818 9.239
109 2HB SER 17 HB1 SER 17 -3.788 -5.644 10.551
110 HG SER 17 HG SER 17 -5.082 -7.525 10.930
111 H ALA 18 HN ALA 18 -4.318 -2.615 9.191
112 HA ALA 18 HA ALA 18 -6.906 -2.006 10.550
113 1HB ALA 18 HB1 ALA 18 -4.899 -2.730 12.051
114 2HB ALA 18 HB2 ALA 18 -5.800 -1.282 12.503
115 3HB ALA 18 HB3 ALA 18 -4.249 -1.134 11.674
116 HA PRO 19 HA PRO 19 -5.185 1.277 7.694
117 1HB PRO 19 HB2 PRO 19 -7.100 1.126 5.742
118 2HB PRO 19 HB1 PRO 19 -5.591 0.196 5.718
119 1HG PRO 19 HG2 PRO 19 -8.332 -0.674 6.409
120 2HG PRO 19 HG1 PRO 19 -7.017 -1.572 5.645
121 1HD PRO 19 HD2 PRO 19 -7.762 -1.812 8.300
122 2HD PRO 19 HD1 PRO 19 -6.186 -2.283 7.633
123 HA PRO 20 HA PRO 20 -9.481 3.294 8.394
124 1HB PRO 20 HB2 PRO 20 -11.097 2.152 10.276
125 2HB PRO 20 HB1 PRO 20 -11.190 1.747 8.551
126 1HG PRO 20 HG2 PRO 20 -9.944 0.245 10.784
127 2HG PRO 20 HG1 PRO 20 -10.792 -0.354 9.351
128 1HD PRO 20 HD2 PRO 20 -8.063 -0.326 9.646
129 2HD PRO 20 HD1 PRO 20 -8.908 -0.358 8.088
130 H PHE 21 HN PHE 21 -7.629 1.734 10.914
131 HA PHE 21 HA PHE 21 -8.165 3.962 12.821
132 1HB PHE 21 HB2 PHE 21 -6.488 1.470 13.200
133 2HB PHE 21 HB1 PHE 21 -7.240 2.464 14.447
134 HD1 PHE 21 HD1 PHE 21 -7.506 -0.634 13.258
135 HD2 PHE 21 HD2 PHE 21 -9.945 2.894 13.482
136 HE1 PHE 21 HE1 PHE 21 -9.546 -2.038 13.148
137 HE2 PHE 21 HE2 PHE 21 -11.988 1.489 13.370
138 HZ PHE 21 HZ PHE 21 -11.787 -0.977 13.205
139 H VAL 22 HN VAL 22 -6.137 3.547 10.277
140 HA VAL 22 HA VAL 22 -4.039 5.223 11.562
141 HB VAL 22 HB VAL 22 -2.299 3.732 10.819
142 1HG1 VAL 22 HG11 VAL 22 -2.695 1.860 12.258
143 2HG1 VAL 22 HG12 VAL 22 -4.438 1.960 12.017
144 3HG1 VAL 22 HG13 VAL 22 -3.606 3.200 12.955
145 1HG2 VAL 22 HG21 VAL 22 -2.852 2.741 8.823
146 2HG2 VAL 22 HG22 VAL 22 -4.546 2.544 9.276
147 3HG2 VAL 22 HG23 VAL 22 -3.331 1.420 9.888
148 H GLN 23 HN GLN 23 -2.262 5.528 9.614
149 HA GLN 23 HA GLN 23 -3.729 6.115 7.076
150 1HB GLN 23 HB2 GLN 23 -3.832 8.191 8.151
151 2HB GLN 23 HB1 GLN 23 -2.286 7.957 8.965
152 1HG GLN 23 HG2 GLN 23 -1.051 8.589 7.104
153 2HG GLN 23 HG1 GLN 23 -2.311 8.099 5.971
154 1HE2 GLN 23 HE21 GLN 23 -0.823 10.828 6.932
155 2HE2 GLN 23 HE22 GLN 23 -2.109 11.933 6.862
156 H CYS 24 HN CYS 24 -0.670 5.468 8.736
157 HA CYS 24 HA CYS 24 1.071 5.841 6.496
158 1HB CYS 24 HB2 CYS 24 2.496 5.513 8.215
159 2HB CYS 24 HB1 CYS 24 1.147 5.037 9.232
160 H GLY 25 HN GLY 25 2.285 3.899 5.475
161 1HA GLY 25 HA2 GLY 25 0.537 1.535 5.050
162 2HA GLY 25 HA1 GLY 25 0.958 2.505 3.640
163 H TRP 26 HN TRP 26 1.866 0.120 3.231
164 HA TRP 26 HA TRP 26 4.508 -0.315 4.501
165 1HB TRP 26 HB2 TRP 26 2.764 -2.088 3.911
166 2HB TRP 26 HB1 TRP 26 3.156 -1.787 2.219
167 HD1 TRP 26 HD1 TRP 26 5.313 -2.838 1.266
168 HE1 TRP 26 HE1 TRP 26 7.150 -4.362 2.245
169 HE3 TRP 26 HE3 TRP 26 4.110 -2.590 6.215
170 HZ2 TRP 26 HZ2 TRP 26 7.996 -5.341 4.797
171 HZ3 TRP 26 HZ3 TRP 26 5.443 -3.824 7.901
172 HH2 TRP 26 HH2 TRP 26 7.383 -5.200 7.198
173 H CYS 27 HN CYS 27 6.489 0.064 3.388
174 HA CYS 27 HA CYS 27 6.240 1.184 0.613
175 1HB CYS 27 HB2 CYS 27 6.822 2.504 3.036
176 2HB CYS 27 HB1 CYS 27 8.354 2.393 2.171
177 H HIS 28 HN HIS 28 7.146 -0.604 -0.418
178 HA HIS 28 HA HIS 28 8.771 -2.251 -0.978
179 1HB HIS 28 HB2 HIS 28 9.725 0.535 -1.016
180 2HB HIS 28 HB1 HIS 28 11.004 -0.673 -1.121
181 HD1 HIS 28 HD1 HIS 28 7.860 0.458 -2.897
182 HD2 HIS 28 HD2 HIS 28 11.099 -2.083 -3.552
183 HE1 HIS 28 HE1 HIS 28 7.730 -0.259 -5.323
184 H ASP 29 HN ASP 29 8.596 -1.807 2.155
185 HA ASP 29 HA ASP 29 10.576 -3.653 2.910
186 1HB ASP 29 HB2 ASP 29 12.190 -1.846 3.963
187 2HB ASP 29 HB1 ASP 29 12.357 -2.303 2.270
188 H LYS 30 HN LYS 30 10.102 -0.452 4.448
189 HA LYS 30 HA LYS 30 9.115 -1.870 6.871
190 1HB LYS 30 HB2 LYS 30 10.956 0.128 6.422
191 2HB LYS 30 HB1 LYS 30 9.534 1.047 6.919
192 1HG LYS 30 HG2 LYS 30 9.326 -0.555 8.883
193 2HG LYS 30 HG1 LYS 30 10.920 -1.170 8.443
194 1HD LYS 30 HD2 LYS 30 11.413 0.489 10.037
195 2HD LYS 30 HD1 LYS 30 11.652 1.324 8.502
196 1HE LYS 30 HE2 LYS 30 9.695 2.580 8.724
197 2HE LYS 30 HE1 LYS 30 8.933 1.383 9.792
198 1HZ LYS 30 HZ1 LYS 30 11.251 3.122 10.449
199 2HZ LYS 30 HZ2 LYS 30 10.670 1.877 11.448
200 3HZ LYS 30 HZ3 LYS 30 9.694 3.227 11.112
201 H CYS 31 HN CYS 31 7.377 -0.573 8.111
202 HA CYS 31 HA CYS 31 5.152 0.001 6.232
203 1HB CYS 31 HB2 CYS 31 4.757 -1.615 7.979
204 2HB CYS 31 HB1 CYS 31 5.414 -0.532 9.205
205 H VAL 32 HN VAL 32 5.311 2.131 5.573
206 HA VAL 32 HA VAL 32 4.964 4.249 7.609
207 HB VAL 32 HB VAL 32 6.940 5.453 6.935
208 1HG1 VAL 32 HG11 VAL 32 7.731 2.532 7.085
209 2HG1 VAL 32 HG12 VAL 32 7.288 3.508 8.486
210 3HG1 VAL 32 HG13 VAL 32 8.717 3.921 7.541
211 1HG2 VAL 32 HG21 VAL 32 7.369 5.311 4.705
212 2HG2 VAL 32 HG22 VAL 32 6.712 3.678 4.590
213 3HG2 VAL 32 HG23 VAL 32 8.366 3.926 5.151
214 H ARG 33 HN ARG 33 4.752 6.460 6.272
215 HA ARG 33 HA ARG 33 3.169 5.793 3.817
216 1HB ARG 33 HB2 ARG 33 2.415 7.069 6.112
217 2HB ARG 33 HB1 ARG 33 2.869 8.441 5.101
218 1HG ARG 33 HG2 ARG 33 1.477 7.004 3.290
219 2HG ARG 33 HG1 ARG 33 0.647 6.497 4.761
220 1HD ARG 33 HD2 ARG 33 -0.007 8.718 5.295
221 2HD ARG 33 HD1 ARG 33 1.170 9.419 4.166
222 HE ARG 33 HE ARG 33 -1.305 7.958 3.353
223 1HH1 ARG 33 HH21 ARG 33 1.584 8.407 1.896
224 2HH1 ARG 33 HH22 ARG 33 1.036 9.463 0.637
225 1HH2 ARG 33 HH11 ARG 33 -2.087 9.970 2.057
226 2HH2 ARG 33 HH12 ARG 33 -1.042 10.347 0.728
227 H SER 34 HN SER 34 3.218 7.539 2.120
228 HA SER 34 HA SER 34 5.642 8.003 0.944
229 1HB SER 34 HB2 SER 34 3.786 8.668 -0.284
230 2HB SER 34 HB1 SER 34 3.064 9.520 1.078
231 HG SER 34 HG SER 34 5.311 10.303 -0.475
232 H GLU 35 HN GLU 35 4.168 10.185 3.376
233 HA GLU 35 HA GLU 35 6.171 12.191 3.376
234 1HB GLU 35 HB2 GLU 35 3.827 11.553 4.731
235 2HB GLU 35 HB1 GLU 35 5.051 11.545 6.002
236 1HG GLU 35 HG2 GLU 35 5.628 13.789 5.641
237 2HG GLU 35 HG1 GLU 35 4.964 13.796 4.007
238 H GLU 36 HN GLU 36 6.360 8.920 4.460
239 HA GLU 36 HA GLU 36 8.868 9.545 5.987
240 1HB GLU 36 HB2 GLU 36 6.938 8.596 7.262
241 2HB GLU 36 HB1 GLU 36 6.976 7.182 6.207
242 1HG GLU 36 HG2 GLU 36 8.422 6.304 7.715
243 2HG GLU 36 HG1 GLU 36 9.611 7.403 7.015
244 H CYS 37 HN CYS 37 7.530 7.951 3.242
245 HA CYS 37 HA CYS 37 9.481 5.836 2.942
246 1HB CYS 37 HB2 CYS 37 7.635 7.309 1.036
247 2HB CYS 37 HB1 CYS 37 8.549 5.870 0.590
248 H LEU 38 HN LEU 38 11.436 5.870 1.767
249 HA LEU 38 HA LEU 38 12.848 8.374 1.544
250 1HB LEU 38 HB2 LEU 38 13.261 5.494 0.839
251 2HB LEU 38 HB1 LEU 38 14.355 6.681 0.130
252 HG LEU 38 HG LEU 38 13.938 7.226 2.947
253 1HD1 LEU 38 HD11 LEU 38 15.101 5.222 3.816
254 2HD1 LEU 38 HD12 LEU 38 15.052 4.502 2.207
255 3HD1 LEU 38 HD13 LEU 38 13.552 4.795 3.087
256 1HD2 LEU 38 HD21 LEU 38 16.193 6.769 1.026
257 2HD2 LEU 38 HD22 LEU 38 16.540 6.714 2.754
258 3HD2 LEU 38 HD23 LEU 38 15.854 8.172 2.039
259 H SER 39 HN SER 39 11.843 6.077 -1.026
260 HA SER 39 HA SER 39 12.242 8.085 -3.115
261 1HB SER 39 HB2 SER 39 11.235 5.248 -2.927
262 2HB SER 39 HB1 SER 39 11.142 6.138 -4.444
263 HG SER 39 HG SER 39 13.266 6.098 -4.608
264 H GLY 40 HN GLY 40 10.121 7.862 -4.791
265 1HA GLY 40 HA2 GLY 40 7.923 9.101 -3.213
266 2HA GLY 40 HA1 GLY 40 8.173 9.310 -4.946
267 H THR 41 HN THR 41 8.088 6.301 -3.030
268 HA THR 41 HA THR 41 5.693 5.479 -4.640
269 HB THR 41 HB THR 41 7.818 4.494 -5.460
270 HG1 THR 41 HG1 THR 41 7.076 2.196 -4.665
271 1HG2 THR 41 HG21 THR 41 9.420 3.858 -4.020
272 2HG2 THR 41 HG22 THR 41 8.323 2.696 -3.274
273 3HG2 THR 41 HG23 THR 41 8.381 4.358 -2.686
274 H TRP 42 HN TRP 42 4.078 4.482 -3.452
275 HA TRP 42 HA TRP 42 4.687 3.599 -0.662
276 1HB TRP 42 HB2 TRP 42 3.876 5.948 -0.663
277 2HB TRP 42 HB1 TRP 42 2.435 5.440 -1.545
278 HD1 TRP 42 HD1 TRP 42 4.244 4.363 1.713
279 HE1 TRP 42 HE1 TRP 42 2.449 3.896 3.503
280 HE3 TRP 42 HE3 TRP 42 0.025 5.274 -1.014
281 HZ2 TRP 42 HZ2 TRP 42 -0.406 3.905 3.744
282 HZ3 TRP 42 HZ3 TRP 42 -2.215 5.037 0.017
283 HH2 TRP 42 HH2 TRP 42 -2.436 4.354 2.390
284 H THR 43 HN THR 43 3.697 1.648 -0.237
285 HA THR 43 HA THR 43 1.444 0.813 -2.036
286 HB THR 43 HB THR 43 3.484 -0.356 -2.613
287 HG1 THR 43 HG1 THR 43 2.230 -2.019 -2.701
288 1HG2 THR 43 HG21 THR 43 3.689 -1.003 0.340
289 2HG2 THR 43 HG22 THR 43 4.724 0.120 -0.543
290 3HG2 THR 43 HG23 THR 43 4.771 -1.603 -0.917
291 H GLN 44 HN GLN 44 -0.191 -0.481 -1.027
292 HA GLN 44 HA GLN 44 -0.035 -0.697 1.954
293 1HB GLN 44 HB2 GLN 44 -2.450 0.060 1.933
294 2HB GLN 44 HB1 GLN 44 -1.300 1.299 1.429
295 1HG GLN 44 HG2 GLN 44 -3.046 1.390 -0.180
296 2HG GLN 44 HG1 GLN 44 -1.746 0.503 -0.973
297 1HE2 GLN 44 HE21 GLN 44 -4.286 -0.493 1.396
298 2HE2 GLN 44 HE22 GLN 44 -4.850 -1.794 0.463
299 H GLN 45 HN GLN 45 0.136 -2.595 -0.465
300 HA GLN 45 HA GLN 45 -1.775 -4.600 0.623
301 1HB GLN 45 HB2 GLN 45 -2.926 -3.426 -1.203
302 2HB GLN 45 HB1 GLN 45 -1.558 -3.726 -2.276
303 1HG GLN 45 HG2 GLN 45 -3.204 -5.405 -2.769
304 2HG GLN 45 HG1 GLN 45 -1.916 -6.203 -1.865
305 1HE2 GLN 45 HE21 GLN 45 -4.893 -4.327 -1.026
306 2HE2 GLN 45 HE22 GLN 45 -5.415 -5.418 0.166
307 H ILE 46 HN ILE 46 -0.176 -6.052 1.267
308 HA ILE 46 HA ILE 46 1.442 -7.287 -0.887
309 HB ILE 46 HB ILE 46 2.959 -5.618 -0.171
310 1HG1 ILE 46 HG12 ILE 46 3.459 -8.127 1.456
311 2HG1 ILE 46 HG11 ILE 46 4.033 -7.795 -0.179
312 1HG2 ILE 46 HG21 ILE 46 2.838 -4.575 1.827
313 2HG2 ILE 46 HG22 ILE 46 2.977 -6.095 2.707
314 3HG2 ILE 46 HG23 ILE 46 1.401 -5.542 2.147
315 1HD1 ILE 46 HD11 ILE 46 4.861 -6.434 2.389
316 2HD1 ILE 46 HD12 ILE 46 5.216 -5.752 0.802
317 3HD1 ILE 46 HD13 ILE 46 5.880 -7.321 1.256
318 H CYS 47 HN CYS 47 1.013 -7.285 2.679
319 HA CYS 47 HA CYS 47 1.383 -10.202 2.778
320 1HB CYS 47 HB2 CYS 47 0.706 -8.060 4.819
321 2HB CYS 47 HB1 CYS 47 1.031 -9.746 5.228
322 H LEU 48 HN LEU 48 -0.280 -11.651 3.590
323 HA LEU 48 HA LEU 48 -3.009 -10.859 2.743
324 1HB LEU 48 HB2 LEU 48 -1.420 -13.330 3.183
325 2HB LEU 48 HB1 LEU 48 -3.149 -13.465 3.501
326 HG LEU 48 HG LEU 48 -2.638 -11.985 1.050
327 1HD1 LEU 48 HD11 LEU 48 -0.927 -14.239 1.548
328 2HD1 LEU 48 HD12 LEU 48 -1.036 -13.243 0.097
329 3HD1 LEU 48 HD13 LEU 48 -2.070 -14.660 0.273
330 1HD2 LEU 48 HD21 LEU 48 -4.134 -13.897 0.198
331 2HD2 LEU 48 HD22 LEU 48 -4.810 -12.878 1.469
332 3HD2 LEU 48 HD23 LEU 48 -4.161 -14.469 1.866
Start of MODEL 14
1 1H GLY 1 HT1 GLY 1 -1.063 8.133 14.567
2 2H GLY 1 HT2 GLY 1 -0.809 8.906 16.060
3 3H GLY 1 HT3 GLY 1 -2.219 9.221 15.164
4 1HA GLY 1 HA2 GLY 1 -3.206 7.692 16.424
5 2HA GLY 1 HA1 GLY 1 -2.298 6.527 15.460
6 H SER 2 HN SER 2 -2.145 8.479 18.423
7 HA SER 2 HA SER 2 0.269 7.391 19.486
8 1HB SER 2 HB2 SER 2 -2.246 8.431 20.828
9 2HB SER 2 HB1 SER 2 -0.688 8.233 21.627
10 HG SER 2 HG SER 2 0.137 9.847 20.437
11 H ALA 3 HN ALA 3 -2.800 5.931 18.994
12 HA ALA 3 HA ALA 3 -2.443 3.930 21.155
13 1HB ALA 3 HB1 ALA 3 -4.634 3.157 19.772
14 2HB ALA 3 HB2 ALA 3 -4.560 4.847 19.273
15 3HB ALA 3 HB3 ALA 3 -4.681 4.436 20.984
16 H MET 4 HN MET 4 -3.609 3.275 17.877
17 HA MET 4 HA MET 4 -1.454 1.201 17.609
18 1HB MET 4 HB2 MET 4 -4.390 1.259 17.235
19 2HB MET 4 HB1 MET 4 -3.500 0.418 15.965
20 1HG MET 4 HG2 MET 4 -2.883 -1.281 17.350
21 2HG MET 4 HG1 MET 4 -2.604 -0.196 18.712
22 1HE MET 4 HE1 MET 4 -3.965 0.171 20.537
23 2HE MET 4 HE2 MET 4 -3.703 -1.571 20.592
24 3HE MET 4 HE3 MET 4 -5.292 -0.913 20.975
25 H GLY 5 HN GLY 5 -0.673 3.631 16.714
26 1HA GLY 5 HA2 GLY 5 -1.483 4.457 14.133
27 2HA GLY 5 HA1 GLY 5 0.123 4.732 14.804
28 H CYS 6 HN CYS 6 -0.671 3.954 12.045
29 HA CYS 6 HA CYS 6 0.038 1.184 11.604
30 1HB CYS 6 HB2 CYS 6 -1.304 2.344 10.009
31 2HB CYS 6 HB1 CYS 6 -0.170 3.686 9.918
32 H ARG 7 HN ARG 7 1.844 4.256 11.548
33 HA ARG 7 HA ARG 7 4.310 3.210 10.516
34 1HB ARG 7 HB2 ARG 7 3.296 5.608 11.938
35 2HB ARG 7 HB1 ARG 7 5.025 5.307 12.115
36 1HG ARG 7 HG2 ARG 7 5.272 5.189 9.673
37 2HG ARG 7 HG1 ARG 7 3.541 5.446 9.479
38 1HD ARG 7 HD2 ARG 7 4.894 7.473 11.153
39 2HD ARG 7 HD1 ARG 7 5.362 7.476 9.442
40 HE ARG 7 HE ARG 7 3.225 8.360 9.008
41 1HH1 ARG 7 HH11 ARG 7 3.079 8.046 12.233
42 2HH1 ARG 7 HH12 ARG 7 1.442 7.491 12.338
43 1HH2 ARG 7 HH21 ARG 7 1.146 6.895 8.934
44 2HH2 ARG 7 HH22 ARG 7 0.347 6.838 10.469
45 H HIS 8 HN HIS 8 2.717 2.773 13.516
46 HA HIS 8 HA HIS 8 5.157 2.221 15.078
47 1HB HIS 8 HB2 HIS 8 3.429 3.163 16.349
48 2HB HIS 8 HB1 HIS 8 2.177 2.271 15.488
49 HD1 HIS 8 HD1 HIS 8 4.853 1.786 18.128
50 HD2 HIS 8 HD2 HIS 8 1.532 -0.221 16.602
51 HE1 HIS 8 HE1 HIS 8 4.437 -0.186 19.663
52 H PHE 9 HN PHE 9 2.702 0.465 13.263
53 HA PHE 9 HA PHE 9 3.004 -2.151 14.268
54 1HB PHE 9 HB2 PHE 9 2.648 -1.192 11.408
55 2HB PHE 9 HB1 PHE 9 2.229 -2.795 12.006
56 HD1 PHE 9 HD1 PHE 9 0.081 -1.437 10.745
57 HD2 PHE 9 HD2 PHE 9 1.533 -0.917 14.756
58 HE1 PHE 9 HE1 PHE 9 -2.145 -0.600 11.445
59 HE2 PHE 9 HE2 PHE 9 -0.693 -0.079 15.452
60 HZ PHE 9 HZ PHE 9 -2.533 0.080 13.796
61 H GLN 10 HN GLN 10 4.645 -3.661 14.114
62 HA GLN 10 HA GLN 10 7.198 -2.819 12.901
63 1HB GLN 10 HB2 GLN 10 8.063 -4.712 14.131
64 2HB GLN 10 HB1 GLN 10 6.887 -3.907 15.170
65 1HG GLN 10 HG2 GLN 10 5.226 -5.556 14.747
66 2HG GLN 10 HG1 GLN 10 6.117 -6.214 13.374
67 1HE2 GLN 10 HE21 GLN 10 8.469 -7.004 14.059
68 2HE2 GLN 10 HE22 GLN 10 8.543 -7.884 15.509
69 H SER 11 HN SER 11 4.567 -5.049 12.236
70 HA SER 11 HA SER 11 6.093 -6.114 9.881
71 1HB SER 11 HB2 SER 11 3.947 -7.218 11.697
72 2HB SER 11 HB1 SER 11 4.293 -7.958 10.136
73 HG SER 11 HG SER 11 5.535 -8.909 11.781
74 H CYS 12 HN CYS 12 4.632 -6.620 7.969
75 HA CYS 12 HA CYS 12 2.985 -4.303 7.326
76 1HB CYS 12 HB2 CYS 12 2.835 -5.409 5.159
77 2HB CYS 12 HB1 CYS 12 4.484 -5.574 5.759
78 H SER 13 HN SER 13 2.360 -7.150 9.030
79 HA SER 13 HA SER 13 -0.219 -7.933 8.097
80 1HB SER 13 HB2 SER 13 1.133 -7.980 10.809
81 2HB SER 13 HB1 SER 13 -0.397 -8.793 10.483
82 HG SER 13 HG SER 13 1.587 -10.071 10.218
83 H GLN 14 HN GLN 14 0.537 -5.890 10.955
84 HA GLN 14 HA GLN 14 -2.165 -4.950 11.286
85 1HB GLN 14 HB2 GLN 14 -0.096 -5.026 12.879
86 2HB GLN 14 HB1 GLN 14 0.322 -3.476 12.147
87 1HG GLN 14 HG2 GLN 14 -1.028 -2.605 13.758
88 2HG GLN 14 HG1 GLN 14 -2.336 -3.108 12.685
89 1HE2 GLN 14 HE21 GLN 14 -3.443 -3.217 14.976
90 2HE2 GLN 14 HE22 GLN 14 -3.342 -4.709 15.781
91 H CYS 15 HN CYS 15 0.628 -3.756 9.479
92 HA CYS 15 HA CYS 15 -0.084 -1.119 8.902
93 1HB CYS 15 HB2 CYS 15 1.149 -3.323 7.228
94 2HB CYS 15 HB1 CYS 15 1.096 -1.644 6.693
95 H LEU 16 HN LEU 16 -1.108 -4.037 7.085
96 HA LEU 16 HA LEU 16 -3.155 -2.400 5.674
97 1HB LEU 16 HB2 LEU 16 -1.800 -5.061 5.289
98 2HB LEU 16 HB1 LEU 16 -3.295 -4.700 4.422
99 HG LEU 16 HG LEU 16 -2.307 -2.742 3.403
100 1HD1 LEU 16 HD11 LEU 16 -0.106 -3.296 5.381
101 2HD1 LEU 16 HD12 LEU 16 -0.947 -1.780 5.059
102 3HD1 LEU 16 HD13 LEU 16 0.234 -2.396 3.902
103 1HD2 LEU 16 HD21 LEU 16 -1.795 -4.924 2.344
104 2HD2 LEU 16 HD22 LEU 16 -0.340 -5.053 3.333
105 3HD2 LEU 16 HD23 LEU 16 -0.472 -3.778 2.121
106 H SER 17 HN SER 17 -2.981 -4.201 8.479
107 HA SER 17 HA SER 17 -5.695 -5.399 8.171
108 1HB SER 17 HB2 SER 17 -3.407 -5.687 10.120
109 2HB SER 17 HB1 SER 17 -4.991 -6.378 10.452
110 HG SER 17 HG SER 17 -3.542 -7.825 9.364
111 H ALA 18 HN ALA 18 -4.263 -2.551 9.291
112 HA ALA 18 HA ALA 18 -6.714 -1.900 10.863
113 1HB ALA 18 HB1 ALA 18 -3.977 -1.154 11.871
114 2HB ALA 18 HB2 ALA 18 -4.630 -2.757 12.209
115 3HB ALA 18 HB3 ALA 18 -5.480 -1.320 12.777
116 HA PRO 19 HA PRO 19 -4.911 1.422 8.070
117 1HB PRO 19 HB2 PRO 19 -6.763 1.327 6.060
118 2HB PRO 19 HB1 PRO 19 -5.255 0.394 6.054
119 1HG PRO 19 HG2 PRO 19 -8.018 -0.486 6.656
120 2HG PRO 19 HG1 PRO 19 -6.693 -1.363 5.883
121 1HD PRO 19 HD2 PRO 19 -7.482 -1.702 8.508
122 2HD PRO 19 HD1 PRO 19 -5.885 -2.132 7.862
123 HA PRO 20 HA PRO 20 -9.264 3.363 8.687
124 1HB PRO 20 HB2 PRO 20 -10.870 2.193 10.565
125 2HB PRO 20 HB1 PRO 20 -10.951 1.794 8.838
126 1HG PRO 20 HG2 PRO 20 -9.667 0.307 11.065
127 2HG PRO 20 HG1 PRO 20 -10.528 -0.304 9.644
128 1HD PRO 20 HD2 PRO 20 -7.810 -0.259 9.896
129 2HD PRO 20 HD1 PRO 20 -8.661 -0.253 8.341
130 H PHE 21 HN PHE 21 -7.399 1.849 11.231
131 HA PHE 21 HA PHE 21 -7.925 4.159 13.057
132 1HB PHE 21 HB2 PHE 21 -6.404 1.597 13.605
133 2HB PHE 21 HB1 PHE 21 -7.129 2.692 14.781
134 HD1 PHE 21 HD1 PHE 21 -7.571 -0.433 14.016
135 HD2 PHE 21 HD2 PHE 21 -9.753 3.222 13.431
136 HE1 PHE 21 HE1 PHE 21 -9.691 -1.716 13.902
137 HE2 PHE 21 HE2 PHE 21 -11.871 1.938 13.316
138 HZ PHE 21 HZ PHE 21 -11.841 -0.530 13.550
139 H VAL 22 HN VAL 22 -6.057 3.937 10.562
140 HA VAL 22 HA VAL 22 -3.747 5.274 11.867
141 HB VAL 22 HB VAL 22 -2.167 3.734 10.858
142 1HG1 VAL 22 HG11 VAL 22 -2.631 1.764 12.137
143 2HG1 VAL 22 HG12 VAL 22 -4.371 2.039 12.055
144 3HG1 VAL 22 HG13 VAL 22 -3.354 3.104 13.027
145 1HG2 VAL 22 HG21 VAL 22 -3.385 1.621 9.768
146 2HG2 VAL 22 HG22 VAL 22 -2.992 3.046 8.808
147 3HG2 VAL 22 HG23 VAL 22 -4.629 2.824 9.425
148 H GLN 23 HN GLN 23 -2.079 5.583 9.777
149 HA GLN 23 HA GLN 23 -3.615 6.402 7.372
150 1HB GLN 23 HB2 GLN 23 -3.839 8.362 8.672
151 2HB GLN 23 HB1 GLN 23 -2.225 8.196 9.361
152 1HG GLN 23 HG2 GLN 23 -1.173 9.004 7.437
153 2HG GLN 23 HG1 GLN 23 -2.537 8.590 6.397
154 1HE2 GLN 23 HE21 GLN 23 -4.677 9.861 7.116
155 2HE2 GLN 23 HE22 GLN 23 -4.450 11.509 7.454
156 H CYS 24 HN CYS 24 -1.104 4.716 8.473
157 HA CYS 24 HA CYS 24 0.859 5.749 6.478
158 1HB CYS 24 HB2 CYS 24 2.329 5.364 8.135
159 2HB CYS 24 HB1 CYS 24 1.003 4.860 9.167
160 H GLY 25 HN GLY 25 2.201 3.831 5.493
161 1HA GLY 25 HA2 GLY 25 0.505 1.484 4.858
162 2HA GLY 25 HA1 GLY 25 1.002 2.518 3.517
163 H TRP 26 HN TRP 26 1.934 0.144 3.092
164 HA TRP 26 HA TRP 26 4.503 -0.353 4.474
165 1HB TRP 26 HB2 TRP 26 2.700 -2.033 3.666
166 2HB TRP 26 HB1 TRP 26 3.342 -1.741 2.053
167 HD1 TRP 26 HD1 TRP 26 5.143 -3.380 1.361
168 HE1 TRP 26 HE1 TRP 26 6.887 -4.837 2.579
169 HE3 TRP 26 HE3 TRP 26 4.252 -1.964 6.173
170 HZ2 TRP 26 HZ2 TRP 26 7.786 -5.333 5.252
171 HZ3 TRP 26 HZ3 TRP 26 5.563 -2.939 8.041
172 HH2 TRP 26 HH2 TRP 26 7.328 -4.621 7.584
173 H CYS 27 HN CYS 27 6.507 0.193 3.567
174 HA CYS 27 HA CYS 27 6.494 1.227 0.749
175 1HB CYS 27 HB2 CYS 27 6.550 2.774 2.965
176 2HB CYS 27 HB1 CYS 27 8.275 2.463 2.787
177 H HIS 28 HN HIS 28 7.580 -0.574 -0.112
178 HA HIS 28 HA HIS 28 9.392 -1.978 -0.634
179 1HB HIS 28 HB2 HIS 28 10.194 0.724 -0.169
180 2HB HIS 28 HB1 HIS 28 11.503 -0.345 0.333
181 HD1 HIS 28 HD1 HIS 28 10.005 1.143 -2.628
182 HD2 HIS 28 HD2 HIS 28 12.178 -2.322 -1.819
183 HE1 HIS 28 HE1 HIS 28 10.864 0.300 -4.856
184 H ASP 29 HN ASP 29 8.834 -1.376 2.714
185 HA ASP 29 HA ASP 29 9.966 -3.792 3.594
186 1HB ASP 29 HB2 ASP 29 12.070 -2.632 4.701
187 2HB ASP 29 HB1 ASP 29 12.143 -3.168 3.024
188 H LYS 30 HN LYS 30 10.147 -0.391 4.734
189 HA LYS 30 HA LYS 30 9.150 -1.240 7.389
190 1HB LYS 30 HB2 LYS 30 11.060 0.304 7.132
191 2HB LYS 30 HB1 LYS 30 10.035 1.429 6.242
192 1HG LYS 30 HG2 LYS 30 8.622 1.769 8.188
193 2HG LYS 30 HG1 LYS 30 9.494 0.523 9.084
194 1HD LYS 30 HD2 LYS 30 11.537 2.182 8.280
195 2HD LYS 30 HD1 LYS 30 10.230 3.328 8.579
196 1HE LYS 30 HE2 LYS 30 10.426 3.065 10.823
197 2HE LYS 30 HE1 LYS 30 10.370 1.296 10.675
198 1HZ LYS 30 HZ1 LYS 30 12.534 1.933 11.464
199 2HZ LYS 30 HZ2 LYS 30 12.726 3.044 10.193
200 3HZ LYS 30 HZ3 LYS 30 12.686 1.376 9.870
201 H CYS 31 HN CYS 31 7.362 0.131 8.373
202 HA CYS 31 HA CYS 31 5.167 0.436 6.393
203 1HB CYS 31 HB2 CYS 31 5.222 -0.862 8.695
204 2HB CYS 31 HB1 CYS 31 4.902 0.736 9.371
205 H VAL 32 HN VAL 32 5.245 2.490 5.489
206 HA VAL 32 HA VAL 32 5.001 4.793 7.358
207 HB VAL 32 HB VAL 32 6.859 5.939 6.388
208 1HG1 VAL 32 HG11 VAL 32 7.666 3.019 6.556
209 2HG1 VAL 32 HG12 VAL 32 7.474 4.089 7.945
210 3HG1 VAL 32 HG13 VAL 32 8.730 4.412 6.751
211 1HG2 VAL 32 HG21 VAL 32 7.093 5.736 4.148
212 2HG2 VAL 32 HG22 VAL 32 6.256 4.185 4.135
213 3HG2 VAL 32 HG23 VAL 32 7.986 4.250 4.470
214 H ARG 33 HN ARG 33 4.519 6.849 5.946
215 HA ARG 33 HA ARG 33 2.660 6.020 3.747
216 1HB ARG 33 HB2 ARG 33 1.946 7.188 5.978
217 2HB ARG 33 HB1 ARG 33 2.593 8.644 5.222
218 1HG ARG 33 HG2 ARG 33 1.108 7.622 3.175
219 2HG ARG 33 HG1 ARG 33 0.154 7.108 4.567
220 1HD ARG 33 HD2 ARG 33 -0.589 9.223 4.911
221 2HD ARG 33 HD1 ARG 33 1.068 9.861 4.879
222 HE ARG 33 HE ARG 33 0.652 10.491 2.649
223 1HH1 ARG 33 HH11 ARG 33 -2.279 10.184 2.857
224 2HH1 ARG 33 HH12 ARG 33 -2.631 9.007 1.637
225 1HH2 ARG 33 HH21 ARG 33 0.651 7.924 1.362
226 2HH2 ARG 33 HH22 ARG 33 -0.972 7.727 0.789
227 H SER 34 HN SER 34 2.488 7.560 1.926
228 HA SER 34 HA SER 34 4.732 8.125 0.485
229 1HB SER 34 HB2 SER 34 2.511 8.492 -0.371
230 2HB SER 34 HB1 SER 34 2.199 9.753 0.818
231 HG SER 34 HG SER 34 4.298 9.893 -1.079
232 H GLU 35 HN GLU 35 3.580 10.057 3.225
233 HA GLU 35 HA GLU 35 5.364 12.300 2.753
234 1HB GLU 35 HB2 GLU 35 3.147 11.910 4.201
235 2HB GLU 35 HB1 GLU 35 4.334 11.600 5.470
236 1HG GLU 35 HG2 GLU 35 4.088 13.902 5.673
237 2HG GLU 35 HG1 GLU 35 5.438 13.817 4.540
238 H GLU 36 HN GLU 36 5.661 9.221 4.432
239 HA GLU 36 HA GLU 36 8.329 10.053 5.512
240 1HB GLU 36 HB2 GLU 36 6.200 8.064 6.234
241 2HB GLU 36 HB1 GLU 36 7.860 7.770 6.756
242 1HG GLU 36 HG2 GLU 36 7.025 9.012 8.541
243 2HG GLU 36 HG1 GLU 36 7.759 10.269 7.543
244 H CYS 37 HN CYS 37 6.928 8.376 2.958
245 HA CYS 37 HA CYS 37 8.703 6.107 2.722
246 1HB CYS 37 HB2 CYS 37 6.712 7.600 1.075
247 2HB CYS 37 HB1 CYS 37 7.829 6.542 0.216
248 H LEU 38 HN LEU 38 10.907 6.770 2.827
249 HA LEU 38 HA LEU 38 11.909 9.042 1.335
250 1HB LEU 38 HB2 LEU 38 13.786 8.603 2.562
251 2HB LEU 38 HB1 LEU 38 12.732 7.506 3.441
252 HG LEU 38 HG LEU 38 14.724 6.290 2.906
253 1HD1 LEU 38 HD11 LEU 38 12.188 5.518 1.965
254 2HD1 LEU 38 HD12 LEU 38 13.558 4.466 2.324
255 3HD1 LEU 38 HD13 LEU 38 13.323 5.081 0.688
256 1HD2 LEU 38 HD21 LEU 38 15.980 6.820 1.121
257 2HD2 LEU 38 HD22 LEU 38 14.730 7.948 0.596
258 3HD2 LEU 38 HD23 LEU 38 14.701 6.275 0.035
259 H SER 39 HN SER 39 11.037 5.856 0.457
260 HA SER 39 HA SER 39 12.923 5.417 -1.696
261 1HB SER 39 HB2 SER 39 11.723 3.585 -0.674
262 2HB SER 39 HB1 SER 39 10.169 4.348 -1.008
263 HG SER 39 HG SER 39 11.943 3.821 -3.118
264 H GLY 40 HN GLY 40 9.561 6.640 -1.584
265 1HA GLY 40 HA2 GLY 40 9.098 8.608 -3.091
266 2HA GLY 40 HA1 GLY 40 9.997 7.737 -4.334
267 H THR 41 HN THR 41 8.398 5.383 -2.711
268 HA THR 41 HA THR 41 5.884 5.668 -4.313
269 HB THR 41 HB THR 41 7.532 4.296 -5.528
270 HG1 THR 41 HG1 THR 41 5.490 3.561 -5.794
271 1HG2 THR 41 HG21 THR 41 8.359 3.538 -3.006
272 2HG2 THR 41 HG22 THR 41 8.871 2.781 -4.514
273 3HG2 THR 41 HG23 THR 41 7.534 2.093 -3.592
274 H TRP 42 HN TRP 42 4.064 4.969 -3.198
275 HA TRP 42 HA TRP 42 4.517 3.744 -0.497
276 1HB TRP 42 HB2 TRP 42 3.605 6.064 -0.608
277 2HB TRP 42 HB1 TRP 42 2.246 5.460 -1.554
278 HD1 TRP 42 HD1 TRP 42 3.916 4.741 1.862
279 HE1 TRP 42 HE1 TRP 42 2.063 4.142 3.544
280 HE3 TRP 42 HE3 TRP 42 -0.155 4.899 -1.214
281 HZ2 TRP 42 HZ2 TRP 42 -0.776 3.777 3.587
282 HZ3 TRP 42 HZ3 TRP 42 -2.419 4.424 -0.329
283 HH2 TRP 42 HH2 TRP 42 -2.736 3.863 2.065
284 H THR 43 HN THR 43 3.668 1.700 -0.225
285 HA THR 43 HA THR 43 1.506 0.828 -2.117
286 HB THR 43 HB THR 43 3.592 -0.203 -2.750
287 HG1 THR 43 HG1 THR 43 2.413 -2.147 -1.096
288 1HG2 THR 43 HG21 THR 43 4.971 -1.441 -1.116
289 2HG2 THR 43 HG22 THR 43 3.872 -0.955 0.175
290 3HG2 THR 43 HG23 THR 43 4.829 0.260 -0.674
291 H GLN 44 HN GLN 44 -0.240 -0.189 -1.145
292 HA GLN 44 HA GLN 44 -0.039 -0.712 1.804
293 1HB GLN 44 HB2 GLN 44 -1.577 1.143 0.391
294 2HB GLN 44 HB1 GLN 44 -2.705 -0.167 0.745
295 1HG GLN 44 HG2 GLN 44 -0.918 0.641 2.973
296 2HG GLN 44 HG1 GLN 44 -2.151 1.814 2.507
297 1HE2 GLN 44 HE21 GLN 44 -4.315 0.210 1.814
298 2HE2 GLN 44 HE22 GLN 44 -4.803 -0.727 3.144
299 H GLN 45 HN GLN 45 0.270 -2.538 -0.640
300 HA GLN 45 HA GLN 45 -1.670 -4.599 0.298
301 1HB GLN 45 HB2 GLN 45 -2.017 -3.052 -1.991
302 2HB GLN 45 HB1 GLN 45 -1.315 -4.548 -2.607
303 1HG GLN 45 HG2 GLN 45 -3.544 -4.691 -0.603
304 2HG GLN 45 HG1 GLN 45 -3.922 -4.366 -2.294
305 1HE2 GLN 45 HE21 GLN 45 -4.999 -6.634 -1.993
306 2HE2 GLN 45 HE22 GLN 45 -4.017 -7.985 -2.298
307 H ILE 46 HN ILE 46 -0.112 -6.030 1.069
308 HA ILE 46 HA ILE 46 1.710 -7.231 -0.942
309 HB ILE 46 HB ILE 46 2.924 -5.339 0.105
310 1HG1 ILE 46 HG12 ILE 46 4.570 -7.141 1.436
311 2HG1 ILE 46 HG11 ILE 46 3.708 -8.157 0.281
312 1HG2 ILE 46 HG21 ILE 46 2.575 -6.852 2.706
313 2HG2 ILE 46 HG22 ILE 46 1.592 -5.459 2.257
314 3HG2 ILE 46 HG23 ILE 46 3.332 -5.275 2.479
315 1HD1 ILE 46 HD11 ILE 46 5.675 -5.989 -0.205
316 2HD1 ILE 46 HD12 ILE 46 4.297 -6.038 -1.306
317 3HD1 ILE 46 HD13 ILE 46 5.349 -7.445 -1.145
318 H CYS 47 HN CYS 47 0.617 -7.219 2.456
319 HA CYS 47 HA CYS 47 0.501 -10.209 2.341
320 1HB CYS 47 HB2 CYS 47 1.562 -10.292 4.525
321 2HB CYS 47 HB1 CYS 47 2.569 -9.293 3.476
322 H LEU 48 HN LEU 48 -1.414 -11.002 3.178
323 HA LEU 48 HA LEU 48 -3.591 -9.261 3.834
324 1HB LEU 48 HB2 LEU 48 -2.965 -12.124 3.669
325 2HB LEU 48 HB1 LEU 48 -4.186 -11.758 4.889
326 HG LEU 48 HG LEU 48 -5.107 -10.203 2.895
327 1HD1 LEU 48 HD11 LEU 48 -3.219 -10.960 1.410
328 2HD1 LEU 48 HD12 LEU 48 -4.821 -11.280 0.746
329 3HD1 LEU 48 HD13 LEU 48 -3.891 -12.590 1.476
330 1HD2 LEU 48 HD21 LEU 48 -6.814 -11.783 2.676
331 2HD2 LEU 48 HD22 LEU 48 -6.087 -12.270 4.207
332 3HD2 LEU 48 HD23 LEU 48 -5.694 -13.146 2.728
Start of MODEL 15
1 1H GLY 1 HT1 GLY 1 -8.254 -1.972 23.820
2 2H GLY 1 HT2 GLY 1 -7.091 -2.021 25.057
3 3H GLY 1 HT3 GLY 1 -6.793 -2.797 23.576
4 1HA GLY 1 HA2 GLY 1 -7.237 -0.327 22.706
5 2HA GLY 1 HA1 GLY 1 -6.540 0.003 24.292
6 H SER 2 HN SER 2 -5.720 -0.437 21.129
7 HA SER 2 HA SER 2 -2.884 -0.810 21.797
8 1HB SER 2 HB2 SER 2 -4.225 -2.822 19.984
9 2HB SER 2 HB1 SER 2 -2.627 -2.919 20.718
10 HG SER 2 HG SER 2 -4.224 -4.193 21.802
11 H ALA 3 HN ALA 3 -2.099 -1.578 19.147
12 HA ALA 3 HA ALA 3 -1.525 -0.438 17.145
13 1HB ALA 3 HB1 ALA 3 -3.669 -1.484 16.608
14 2HB ALA 3 HB2 ALA 3 -3.608 0.111 15.859
15 3HB ALA 3 HB3 ALA 3 -4.541 -0.135 17.336
16 H MET 4 HN MET 4 -0.372 1.351 18.182
17 HA MET 4 HA MET 4 -1.900 3.801 18.821
18 1HB MET 4 HB2 MET 4 0.994 2.926 18.968
19 2HB MET 4 HB1 MET 4 0.484 4.565 19.376
20 1HG MET 4 HG2 MET 4 -1.299 2.814 20.711
21 2HG MET 4 HG1 MET 4 0.325 2.181 20.985
22 1HE MET 4 HE1 MET 4 0.193 3.811 24.248
23 2HE MET 4 HE2 MET 4 1.485 3.050 23.323
24 3HE MET 4 HE3 MET 4 -0.145 2.389 23.252
25 H GLY 5 HN GLY 5 -1.357 2.577 15.974
26 1HA GLY 5 HA2 GLY 5 -1.667 4.385 14.157
27 2HA GLY 5 HA1 GLY 5 -0.144 5.028 14.772
28 H CYS 6 HN CYS 6 -1.146 3.537 12.181
29 HA CYS 6 HA CYS 6 0.093 1.089 11.772
30 1HB CYS 6 HB2 CYS 6 -1.172 2.174 10.051
31 2HB CYS 6 HB1 CYS 6 -0.110 3.577 10.057
32 H ARG 7 HN ARG 7 1.618 4.193 12.318
33 HA ARG 7 HA ARG 7 4.260 3.525 11.353
34 1HB ARG 7 HB2 ARG 7 3.164 5.521 13.357
35 2HB ARG 7 HB1 ARG 7 4.839 5.518 12.809
36 1HG ARG 7 HG2 ARG 7 3.298 5.371 10.462
37 2HG ARG 7 HG1 ARG 7 2.488 6.565 11.477
38 1HD ARG 7 HD2 ARG 7 5.390 6.893 11.559
39 2HD ARG 7 HD1 ARG 7 4.749 7.043 9.910
40 HE ARG 7 HE ARG 7 4.328 8.960 11.991
41 1HH1 ARG 7 HH11 ARG 7 3.801 9.346 9.027
42 2HH1 ARG 7 HH12 ARG 7 2.088 9.602 9.015
43 1HH2 ARG 7 HH21 ARG 7 1.615 8.362 12.218
44 2HH2 ARG 7 HH22 ARG 7 0.849 9.044 10.823
45 H HIS 8 HN HIS 8 2.476 2.614 14.161
46 HA HIS 8 HA HIS 8 4.957 1.897 15.656
47 1HB HIS 8 HB2 HIS 8 3.638 2.908 17.224
48 2HB HIS 8 HB1 HIS 8 2.182 2.693 16.258
49 HD1 HIS 8 HD1 HIS 8 4.170 1.131 19.003
50 HD2 HIS 8 HD2 HIS 8 0.817 0.194 16.710
51 HE1 HIS 8 HE1 HIS 8 3.055 -0.842 20.136
52 H PHE 9 HN PHE 9 2.705 0.522 13.541
53 HA PHE 9 HA PHE 9 2.276 -2.069 14.681
54 1HB PHE 9 HB2 PHE 9 2.403 -0.978 11.857
55 2HB PHE 9 HB1 PHE 9 1.901 -2.629 12.215
56 HD1 PHE 9 HD1 PHE 9 1.025 -0.532 14.932
57 HD2 PHE 9 HD2 PHE 9 -0.218 -1.617 10.965
58 HE1 PHE 9 HE1 PHE 9 -1.266 0.276 15.428
59 HE2 PHE 9 HE2 PHE 9 -2.509 -0.809 11.464
60 HZ PHE 9 HZ PHE 9 -3.032 0.138 13.694
61 H GLN 10 HN GLN 10 3.590 -3.884 14.725
62 HA GLN 10 HA GLN 10 6.428 -3.612 14.250
63 1HB GLN 10 HB2 GLN 10 4.571 -5.937 14.825
64 2HB GLN 10 HB1 GLN 10 6.328 -6.088 14.797
65 1HG GLN 10 HG2 GLN 10 4.844 -4.109 16.549
66 2HG GLN 10 HG1 GLN 10 5.364 -5.702 17.098
67 1HE2 GLN 10 HE21 GLN 10 6.355 -2.466 16.870
68 2HE2 GLN 10 HE22 GLN 10 8.024 -2.703 17.078
69 H SER 11 HN SER 11 4.728 -6.417 12.991
70 HA SER 11 HA SER 11 6.278 -6.421 10.542
71 1HB SER 11 HB2 SER 11 4.896 -8.230 12.064
72 2HB SER 11 HB1 SER 11 3.782 -8.002 10.720
73 HG SER 11 HG SER 11 6.214 -9.246 10.809
74 H CYS 12 HN CYS 12 4.380 -7.125 8.600
75 HA CYS 12 HA CYS 12 3.137 -4.475 8.076
76 1HB CYS 12 HB2 CYS 12 3.235 -5.143 5.787
77 2HB CYS 12 HB1 CYS 12 4.734 -5.727 6.505
78 H SER 13 HN SER 13 2.238 -7.436 9.369
79 HA SER 13 HA SER 13 -0.254 -8.045 8.165
80 1HB SER 13 HB2 SER 13 0.825 -9.483 9.797
81 2HB SER 13 HB1 SER 13 0.751 -8.222 11.024
82 HG SER 13 HG SER 13 -1.078 -10.060 10.391
83 H GLN 14 HN GLN 14 0.254 -6.119 11.156
84 HA GLN 14 HA GLN 14 -2.427 -5.080 11.231
85 1HB GLN 14 HB2 GLN 14 -0.602 -5.256 13.050
86 2HB GLN 14 HB1 GLN 14 0.055 -3.772 12.359
87 1HG GLN 14 HG2 GLN 14 -1.399 -2.675 13.700
88 2HG GLN 14 HG1 GLN 14 -2.655 -3.219 12.587
89 1HE2 GLN 14 HE21 GLN 14 -2.838 -5.946 13.176
90 2HE2 GLN 14 HE22 GLN 14 -3.305 -6.159 14.793
91 H CYS 15 HN CYS 15 0.575 -3.961 9.747
92 HA CYS 15 HA CYS 15 0.005 -1.291 9.138
93 1HB CYS 15 HB2 CYS 15 1.464 -3.539 7.771
94 2HB CYS 15 HB1 CYS 15 1.371 -1.959 6.995
95 H LEU 16 HN LEU 16 -1.119 -4.219 7.436
96 HA LEU 16 HA LEU 16 -2.823 -2.474 5.697
97 1HB LEU 16 HB2 LEU 16 -1.568 -5.204 5.438
98 2HB LEU 16 HB1 LEU 16 -2.906 -4.727 4.390
99 HG LEU 16 HG LEU 16 -1.630 -2.725 3.686
100 1HD1 LEU 16 HD11 LEU 16 -0.118 -2.082 5.280
101 2HD1 LEU 16 HD12 LEU 16 0.965 -3.114 4.345
102 3HD1 LEU 16 HD13 LEU 16 0.192 -3.738 5.802
103 1HD2 LEU 16 HD21 LEU 16 -1.405 -5.111 2.636
104 2HD2 LEU 16 HD22 LEU 16 0.208 -5.085 3.349
105 3HD2 LEU 16 HD23 LEU 16 -0.253 -3.862 2.164
106 H SER 17 HN SER 17 -2.999 -4.416 8.439
107 HA SER 17 HA SER 17 -5.668 -5.555 7.848
108 1HB SER 17 HB2 SER 17 -3.552 -5.768 9.941
109 2HB SER 17 HB1 SER 17 -5.200 -6.149 10.428
110 HG SER 17 HG SER 17 -5.242 -7.555 8.545
111 H ALA 18 HN ALA 18 -4.353 -2.668 9.151
112 HA ALA 18 HA ALA 18 -7.062 -1.857 10.098
113 1HB ALA 18 HB1 ALA 18 -5.909 -2.663 12.070
114 2HB ALA 18 HB2 ALA 18 -5.921 -0.901 12.145
115 3HB ALA 18 HB3 ALA 18 -4.458 -1.752 11.650
116 HA PRO 19 HA PRO 19 -4.591 1.316 7.709
117 1HB PRO 19 HB2 PRO 19 -6.154 1.396 5.466
118 2HB PRO 19 HB1 PRO 19 -4.763 0.313 5.659
119 1HG PRO 19 HG2 PRO 19 -7.657 -0.275 5.865
120 2HG PRO 19 HG1 PRO 19 -6.333 -1.291 5.285
121 1HD PRO 19 HD2 PRO 19 -7.520 -1.510 7.774
122 2HD PRO 19 HD1 PRO 19 -5.910 -2.127 7.350
123 HA PRO 20 HA PRO 20 -8.775 3.697 7.698
124 1HB PRO 20 HB2 PRO 20 -10.733 2.723 9.341
125 2HB PRO 20 HB1 PRO 20 -10.613 2.307 7.619
126 1HG PRO 20 HG2 PRO 20 -9.808 0.736 10.007
127 2HG PRO 20 HG1 PRO 20 -10.515 0.191 8.479
128 1HD PRO 20 HD2 PRO 20 -7.867 -0.027 9.111
129 2HD PRO 20 HD1 PRO 20 -8.490 0.042 7.452
130 H PHE 21 HN PHE 21 -7.543 2.039 10.546
131 HA PHE 21 HA PHE 21 -8.112 4.418 12.251
132 1HB PHE 21 HB2 PHE 21 -6.784 1.835 13.078
133 2HB PHE 21 HB1 PHE 21 -7.748 2.934 14.061
134 HD1 PHE 21 HD1 PHE 21 -7.821 -0.173 12.546
135 HD2 PHE 21 HD2 PHE 21 -10.209 3.379 12.913
136 HE1 PHE 21 HE1 PHE 21 -9.859 -1.488 12.020
137 HE2 PHE 21 HE2 PHE 21 -12.246 2.064 12.390
138 HZ PHE 21 HZ PHE 21 -12.071 -0.369 11.942
139 H VAL 22 HN VAL 22 -5.927 4.073 10.043
140 HA VAL 22 HA VAL 22 -3.724 5.180 11.720
141 HB VAL 22 HB VAL 22 -2.149 3.636 10.626
142 1HG1 VAL 22 HG11 VAL 22 -3.474 3.016 12.738
143 2HG1 VAL 22 HG12 VAL 22 -2.751 1.678 11.844
144 3HG1 VAL 22 HG13 VAL 22 -4.474 2.017 11.682
145 1HG2 VAL 22 HG21 VAL 22 -3.481 1.648 9.429
146 2HG2 VAL 22 HG22 VAL 22 -2.962 3.076 8.534
147 3HG2 VAL 22 HG23 VAL 22 -4.627 2.948 9.102
148 H GLN 23 HN GLN 23 -1.847 5.781 10.051
149 HA GLN 23 HA GLN 23 -3.016 6.893 7.536
150 1HB GLN 23 HB2 GLN 23 -3.134 8.609 9.289
151 2HB GLN 23 HB1 GLN 23 -1.429 8.364 9.669
152 1HG GLN 23 HG2 GLN 23 -0.830 9.803 8.048
153 2HG GLN 23 HG1 GLN 23 -1.694 8.841 6.848
154 1HE2 GLN 23 HE21 GLN 23 -1.633 11.772 6.883
155 2HE2 GLN 23 HE22 GLN 23 -3.227 12.299 7.130
156 H CYS 24 HN CYS 24 -0.969 4.741 8.497
157 HA CYS 24 HA CYS 24 1.307 5.687 6.790
158 1HB CYS 24 HB2 CYS 24 2.545 5.358 8.652
159 2HB CYS 24 HB1 CYS 24 1.135 4.779 9.519
160 H GLY 25 HN GLY 25 2.385 3.938 5.577
161 1HA GLY 25 HA2 GLY 25 0.735 1.488 5.178
162 2HA GLY 25 HA1 GLY 25 1.140 2.488 3.780
163 H TRP 26 HN TRP 26 2.103 0.102 3.396
164 HA TRP 26 HA TRP 26 4.759 -0.258 4.656
165 1HB TRP 26 HB2 TRP 26 2.918 -2.002 3.988
166 2HB TRP 26 HB1 TRP 26 3.584 -1.832 2.370
167 HD1 TRP 26 HD1 TRP 26 5.661 -3.213 1.816
168 HE1 TRP 26 HE1 TRP 26 7.287 -4.685 3.171
169 HE3 TRP 26 HE3 TRP 26 4.093 -2.137 6.549
170 HZ2 TRP 26 HZ2 TRP 26 7.843 -5.328 5.903
171 HZ3 TRP 26 HZ3 TRP 26 5.180 -3.196 8.514
172 HH2 TRP 26 HH2 TRP 26 7.055 -4.786 8.194
173 H CYS 27 HN CYS 27 6.735 0.033 3.502
174 HA CYS 27 HA CYS 27 6.520 1.024 0.688
175 1HB CYS 27 HB2 CYS 27 6.735 2.654 2.887
176 2HB CYS 27 HB1 CYS 27 8.427 2.434 2.446
177 H HIS 28 HN HIS 28 7.589 -0.790 -0.145
178 HA HIS 28 HA HIS 28 9.437 -2.078 -0.808
179 1HB HIS 28 HB2 HIS 28 10.435 0.517 0.202
180 2HB HIS 28 HB1 HIS 28 11.647 -0.749 0.003
181 HD1 HIS 28 HD1 HIS 28 9.276 1.413 -1.928
182 HD2 HIS 28 HD2 HIS 28 12.041 -1.612 -2.696
183 HE1 HIS 28 HE1 HIS 28 9.630 1.386 -4.436
184 H ASP 29 HN ASP 29 8.963 -1.535 2.602
185 HA ASP 29 HA ASP 29 9.914 -4.078 3.378
186 1HB ASP 29 HB2 ASP 29 12.116 -3.353 4.413
187 2HB ASP 29 HB1 ASP 29 12.115 -3.377 2.656
188 H LYS 30 HN LYS 30 10.062 -0.670 4.496
189 HA LYS 30 HA LYS 30 9.190 -1.579 7.200
190 1HB LYS 30 HB2 LYS 30 11.172 0.049 6.484
191 2HB LYS 30 HB1 LYS 30 9.877 1.248 6.487
192 1HG LYS 30 HG2 LYS 30 9.758 1.262 8.743
193 2HG LYS 30 HG1 LYS 30 9.787 -0.500 8.829
194 1HD LYS 30 HD2 LYS 30 12.011 -0.553 9.248
195 2HD LYS 30 HD1 LYS 30 12.357 0.650 8.005
196 1HE LYS 30 HE2 LYS 30 12.190 2.424 9.482
197 2HE LYS 30 HE1 LYS 30 10.997 1.594 10.501
198 1HZ LYS 30 HZ1 LYS 30 12.782 -0.008 11.091
199 2HZ LYS 30 HZ2 LYS 30 13.073 1.570 11.652
200 3HZ LYS 30 HZ3 LYS 30 13.896 0.985 10.285
201 H CYS 31 HN CYS 31 7.536 -0.190 8.300
202 HA CYS 31 HA CYS 31 5.285 0.327 6.443
203 1HB CYS 31 HB2 CYS 31 5.417 -1.006 8.747
204 2HB CYS 31 HB1 CYS 31 5.134 0.599 9.421
205 H VAL 32 HN VAL 32 5.480 2.366 5.574
206 HA VAL 32 HA VAL 32 5.436 4.671 7.453
207 HB VAL 32 HB VAL 32 7.266 5.734 6.227
208 1HG1 VAL 32 HG11 VAL 32 7.649 3.876 8.038
209 2HG1 VAL 32 HG12 VAL 32 9.022 4.449 7.092
210 3HG1 VAL 32 HG13 VAL 32 8.240 2.925 6.675
211 1HG2 VAL 32 HG21 VAL 32 6.596 4.601 4.035
212 2HG2 VAL 32 HG22 VAL 32 7.486 3.189 4.604
213 3HG2 VAL 32 HG23 VAL 32 8.329 4.716 4.339
214 H ARG 33 HN ARG 33 4.944 6.742 6.075
215 HA ARG 33 HA ARG 33 3.031 5.961 3.905
216 1HB ARG 33 HB2 ARG 33 2.430 7.141 6.210
217 2HB ARG 33 HB1 ARG 33 2.932 8.590 5.335
218 1HG ARG 33 HG2 ARG 33 1.373 7.355 3.458
219 2HG ARG 33 HG1 ARG 33 0.549 6.887 4.946
220 1HD ARG 33 HD2 ARG 33 0.384 9.243 5.631
221 2HD ARG 33 HD1 ARG 33 1.264 9.740 4.171
222 HE ARG 33 HE ARG 33 -1.404 8.381 4.125
223 1HH1 ARG 33 HH21 ARG 33 0.689 8.540 1.766
224 2HH1 ARG 33 HH22 ARG 33 -0.063 9.776 0.814
225 1HH2 ARG 33 HH11 ARG 33 -2.234 10.764 3.330
226 2HH2 ARG 33 HH12 ARG 33 -1.718 11.036 1.699
227 H SER 34 HN SER 34 2.742 7.690 2.217
228 HA SER 34 HA SER 34 4.855 8.205 0.599
229 1HB SER 34 HB2 SER 34 2.376 8.850 0.418
230 2HB SER 34 HB1 SER 34 2.821 10.353 1.222
231 HG SER 34 HG SER 34 4.349 9.492 -0.957
232 H GLU 35 HN GLU 35 3.861 10.624 3.067
233 HA GLU 35 HA GLU 35 6.020 12.409 2.690
234 1HB GLU 35 HB2 GLU 35 3.904 11.848 4.616
235 2HB GLU 35 HB1 GLU 35 5.342 12.512 5.394
236 1HG GLU 35 HG2 GLU 35 5.314 14.460 4.025
237 2HG GLU 35 HG1 GLU 35 4.156 13.744 2.903
238 H GLU 36 HN GLU 36 6.072 9.259 4.171
239 HA GLU 36 HA GLU 36 8.760 9.897 5.350
240 1HB GLU 36 HB2 GLU 36 6.376 8.544 6.310
241 2HB GLU 36 HB1 GLU 36 7.790 7.495 6.425
242 1HG GLU 36 HG2 GLU 36 8.904 8.913 7.887
243 2HG GLU 36 HG1 GLU 36 8.041 10.342 7.320
244 H CYS 37 HN CYS 37 7.274 8.289 2.793
245 HA CYS 37 HA CYS 37 8.870 5.872 2.681
246 1HB CYS 37 HB2 CYS 37 7.050 7.457 0.912
247 2HB CYS 37 HB1 CYS 37 8.089 6.256 0.147
248 H LEU 38 HN LEU 38 10.852 5.545 1.628
249 HA LEU 38 HA LEU 38 12.723 7.648 1.378
250 1HB LEU 38 HB2 LEU 38 12.427 4.819 0.525
251 2HB LEU 38 HB1 LEU 38 13.650 5.750 -0.340
252 HG LEU 38 HG LEU 38 14.483 4.575 1.748
253 1HD1 LEU 38 HD11 LEU 38 14.725 7.553 2.095
254 2HD1 LEU 38 HD12 LEU 38 15.377 6.787 0.646
255 3HD1 LEU 38 HD13 LEU 38 15.971 6.312 2.238
256 1HD2 LEU 38 HD21 LEU 38 12.824 6.726 3.105
257 2HD2 LEU 38 HD22 LEU 38 13.881 5.561 3.905
258 3HD2 LEU 38 HD23 LEU 38 12.419 5.009 3.086
259 H SER 39 HN SER 39 11.158 5.893 -1.333
260 HA SER 39 HA SER 39 11.713 8.223 -3.103
261 1HB SER 39 HB2 SER 39 11.986 5.500 -3.377
262 2HB SER 39 HB1 SER 39 10.440 5.783 -4.172
263 HG SER 39 HG SER 39 12.833 7.231 -4.676
264 H GLY 40 HN GLY 40 9.834 8.576 -4.774
265 1HA GLY 40 HA2 GLY 40 7.458 9.301 -3.274
266 2HA GLY 40 HA1 GLY 40 7.674 9.487 -5.016
267 H THR 41 HN THR 41 7.548 6.692 -2.767
268 HA THR 41 HA THR 41 5.359 5.558 -4.460
269 HB THR 41 HB THR 41 7.558 4.688 -5.193
270 HG1 THR 41 HG1 THR 41 5.531 3.346 -4.828
271 1HG2 THR 41 HG21 THR 41 9.182 4.248 -3.704
272 2HG2 THR 41 HG22 THR 41 8.160 3.058 -2.899
273 3HG2 THR 41 HG23 THR 41 8.092 4.751 -2.412
274 H TRP 42 HN TRP 42 3.857 4.344 -3.280
275 HA TRP 42 HA TRP 42 4.430 3.665 -0.440
276 1HB TRP 42 HB2 TRP 42 3.541 6.004 -0.566
277 2HB TRP 42 HB1 TRP 42 2.103 5.380 -1.373
278 HD1 TRP 42 HD1 TRP 42 4.060 4.520 1.858
279 HE1 TRP 42 HE1 TRP 42 2.346 4.073 3.726
280 HE3 TRP 42 HE3 TRP 42 -0.281 5.201 -0.743
281 HZ2 TRP 42 HZ2 TRP 42 -0.493 4.009 4.075
282 HZ3 TRP 42 HZ3 TRP 42 -2.474 4.941 0.381
283 HH2 TRP 42 HH2 TRP 42 -2.586 4.347 2.785
284 H THR 43 HN THR 43 3.451 1.682 0.045
285 HA THR 43 HA THR 43 1.234 0.796 -1.777
286 HB THR 43 HB THR 43 3.294 -0.318 -2.387
287 HG1 THR 43 HG1 THR 43 2.608 -2.380 -2.124
288 1HG2 THR 43 HG21 THR 43 3.522 -0.889 0.577
289 2HG2 THR 43 HG22 THR 43 4.622 0.071 -0.413
290 3HG2 THR 43 HG23 THR 43 4.518 -1.674 -0.649
291 H GLN 44 HN GLN 44 -0.446 -0.340 -0.801
292 HA GLN 44 HA GLN 44 -0.320 -0.649 2.182
293 1HB GLN 44 HB2 GLN 44 -1.940 1.001 0.530
294 2HB GLN 44 HB1 GLN 44 -2.987 -0.276 1.152
295 1HG GLN 44 HG2 GLN 44 -1.142 0.867 3.150
296 2HG GLN 44 HG1 GLN 44 -2.346 2.000 2.534
297 1HE2 GLN 44 HE21 GLN 44 -4.630 0.579 2.220
298 2HE2 GLN 44 HE22 GLN 44 -5.095 -0.196 3.657
299 H GLN 45 HN GLN 45 -0.026 -2.494 -0.342
300 HA GLN 45 HA GLN 45 -1.594 -4.722 0.814
301 1HB GLN 45 HB2 GLN 45 -2.436 -3.125 -1.427
302 2HB GLN 45 HB1 GLN 45 -2.079 -4.757 -1.993
303 1HG GLN 45 HG2 GLN 45 -3.442 -5.186 0.391
304 2HG GLN 45 HG1 GLN 45 -4.292 -3.817 -0.330
305 1HE2 GLN 45 HE21 GLN 45 -2.872 -6.947 -1.466
306 2HE2 GLN 45 HE22 GLN 45 -4.176 -7.332 -2.482
307 H ILE 46 HN ILE 46 0.244 -5.996 1.094
308 HA ILE 46 HA ILE 46 1.575 -6.970 -1.367
309 HB ILE 46 HB ILE 46 2.904 -5.045 -0.731
310 1HG1 ILE 46 HG12 ILE 46 4.620 -7.085 0.535
311 2HG1 ILE 46 HG11 ILE 46 3.908 -7.585 -1.000
312 1HG2 ILE 46 HG21 ILE 46 3.348 -4.431 1.417
313 2HG2 ILE 46 HG22 ILE 46 3.635 -6.090 1.939
314 3HG2 ILE 46 HG23 ILE 46 1.985 -5.483 1.797
315 1HD1 ILE 46 HD11 ILE 46 4.671 -5.239 -1.845
316 2HD1 ILE 46 HD12 ILE 46 5.883 -6.509 -1.676
317 3HD1 ILE 46 HD13 ILE 46 5.737 -5.260 -0.440
318 H CYS 47 HN CYS 47 1.243 -7.140 2.167
319 HA CYS 47 HA CYS 47 1.563 -10.112 1.993
320 1HB CYS 47 HB2 CYS 47 2.752 -9.761 4.293
321 2HB CYS 47 HB1 CYS 47 3.658 -9.400 2.824
322 H LEU 48 HN LEU 48 0.574 -11.213 3.906
323 HA LEU 48 HA LEU 48 -2.021 -10.079 4.569
324 1HB LEU 48 HB2 LEU 48 -0.429 -12.556 5.138
325 2HB LEU 48 HB1 LEU 48 -1.843 -12.225 6.139
326 HG LEU 48 HG LEU 48 -2.680 -11.712 3.507
327 1HD1 LEU 48 HD11 LEU 48 -0.487 -13.093 3.038
328 2HD1 LEU 48 HD12 LEU 48 -1.966 -13.481 2.159
329 3HD1 LEU 48 HD13 LEU 48 -1.477 -14.466 3.538
330 1HD2 LEU 48 HD21 LEU 48 -4.172 -12.652 5.099
331 2HD2 LEU 48 HD22 LEU 48 -3.075 -13.987 5.458
332 3HD2 LEU 48 HD23 LEU 48 -3.926 -13.936 3.914
Start of MODEL 16
1 1H GLY 1 HT1 GLY 1 5.003 11.870 11.075
2 2H GLY 1 HT2 GLY 1 5.603 12.986 12.207
3 3H GLY 1 HT3 GLY 1 3.968 13.033 11.747
4 1HA GLY 1 HA2 GLY 1 3.943 10.601 12.637
5 2HA GLY 1 HA1 GLY 1 5.348 11.165 13.544
6 H SER 2 HN SER 2 1.901 11.334 13.257
7 HA SER 2 HA SER 2 1.841 13.150 15.645
8 1HB SER 2 HB2 SER 2 1.128 14.128 13.405
9 2HB SER 2 HB1 SER 2 -0.205 12.977 13.415
10 HG SER 2 HG SER 2 -0.493 13.947 15.677
11 H ALA 3 HN ALA 3 -0.128 10.783 13.801
12 HA ALA 3 HA ALA 3 -1.630 10.064 16.237
13 1HB ALA 3 HB1 ALA 3 -3.038 10.043 14.418
14 2HB ALA 3 HB2 ALA 3 -2.478 8.374 14.305
15 3HB ALA 3 HB3 ALA 3 -1.745 9.621 13.296
16 H MET 4 HN MET 4 -1.862 7.670 16.733
17 HA MET 4 HA MET 4 0.756 6.247 16.371
18 1HB MET 4 HB2 MET 4 -1.200 6.222 18.695
19 2HB MET 4 HB1 MET 4 0.349 5.382 18.645
20 1HG MET 4 HG2 MET 4 1.433 7.648 18.241
21 2HG MET 4 HG1 MET 4 -0.129 8.369 18.624
22 1HE MET 4 HE1 MET 4 0.775 9.764 20.551
23 2HE MET 4 HE2 MET 4 2.388 9.183 20.139
24 3HE MET 4 HE3 MET 4 1.852 9.159 21.817
25 H GLY 5 HN GLY 5 -0.063 5.041 14.525
26 1HA GLY 5 HA2 GLY 5 -2.052 2.953 15.299
27 2HA GLY 5 HA1 GLY 5 -2.209 3.792 13.757
28 H CYS 6 HN CYS 6 -1.229 2.846 12.038
29 HA CYS 6 HA CYS 6 0.076 0.346 12.154
30 1HB CYS 6 HB2 CYS 6 0.694 0.917 9.802
31 2HB CYS 6 HB1 CYS 6 -0.992 1.284 10.169
32 H ARG 7 HN ARG 7 1.480 3.623 12.138
33 HA ARG 7 HA ARG 7 4.202 2.927 11.767
34 1HB ARG 7 HB2 ARG 7 2.770 5.108 13.303
35 2HB ARG 7 HB1 ARG 7 4.525 5.079 13.134
36 1HG ARG 7 HG2 ARG 7 4.464 5.508 10.873
37 2HG ARG 7 HG1 ARG 7 2.891 4.744 10.666
38 1HD ARG 7 HD2 ARG 7 2.042 6.853 10.626
39 2HD ARG 7 HD1 ARG 7 2.364 6.894 12.371
40 HE ARG 7 HE ARG 7 4.093 8.411 11.861
41 1HH1 ARG 7 HH21 ARG 7 2.979 7.851 8.879
42 2HH1 ARG 7 HH22 ARG 7 4.508 7.751 8.070
43 1HH2 ARG 7 HH11 ARG 7 6.347 7.547 11.001
44 2HH2 ARG 7 HH12 ARG 7 6.414 7.578 9.271
45 H HIS 8 HN HIS 8 2.095 2.243 14.403
46 HA HIS 8 HA HIS 8 4.385 1.718 16.244
47 1HB HIS 8 HB2 HIS 8 2.951 2.637 17.734
48 2HB HIS 8 HB1 HIS 8 1.750 2.813 16.462
49 HD1 HIS 8 HD1 HIS 8 2.794 0.512 19.255
50 HD2 HIS 8 HD2 HIS 8 -0.311 0.869 16.499
51 HE1 HIS 8 HE1 HIS 8 1.008 -1.132 19.973
52 H PHE 9 HN PHE 9 2.044 0.168 14.224
53 HA PHE 9 HA PHE 9 1.643 -2.342 15.449
54 1HB PHE 9 HB2 PHE 9 1.973 -1.420 12.588
55 2HB PHE 9 HB1 PHE 9 1.522 -3.074 12.984
56 HD1 PHE 9 HD1 PHE 9 -0.477 -2.172 11.476
57 HD2 PHE 9 HD2 PHE 9 0.278 -0.971 15.525
58 HE1 PHE 9 HE1 PHE 9 -2.846 -1.475 11.703
59 HE2 PHE 9 HE2 PHE 9 -2.092 -0.270 15.756
60 HZ PHE 9 HZ PHE 9 -3.653 -0.522 13.846
61 H GLN 10 HN GLN 10 2.739 -4.263 13.723
62 HA GLN 10 HA GLN 10 5.677 -4.040 14.281
63 1HB GLN 10 HB2 GLN 10 5.317 -6.677 14.333
64 2HB GLN 10 HB1 GLN 10 4.971 -5.694 15.752
65 1HG GLN 10 HG2 GLN 10 2.594 -5.607 15.142
66 2HG GLN 10 HG1 GLN 10 2.920 -6.545 13.684
67 1HE2 GLN 10 HE21 GLN 10 1.122 -7.523 15.684
68 2HE2 GLN 10 HE22 GLN 10 1.822 -8.884 16.417
69 H SER 11 HN SER 11 4.404 -6.814 12.617
70 HA SER 11 HA SER 11 6.012 -6.270 10.267
71 1HB SER 11 HB2 SER 11 4.312 -8.320 9.619
72 2HB SER 11 HB1 SER 11 5.807 -8.523 10.526
73 HG SER 11 HG SER 11 3.154 -8.501 11.390
74 H CYS 12 HN CYS 12 4.762 -6.664 8.040
75 HA CYS 12 HA CYS 12 3.066 -4.370 7.603
76 1HB CYS 12 HB2 CYS 12 2.910 -5.412 5.315
77 2HB CYS 12 HB1 CYS 12 4.565 -5.251 5.904
78 H SER 13 HN SER 13 2.361 -7.386 8.930
79 HA SER 13 HA SER 13 -0.109 -8.116 7.748
80 1HB SER 13 HB2 SER 13 0.797 -8.305 10.636
81 2HB SER 13 HB1 SER 13 -0.439 -9.306 9.877
82 HG SER 13 HG SER 13 1.450 -9.672 8.293
83 H GLN 14 HN GLN 14 0.299 -6.288 10.815
84 HA GLN 14 HA GLN 14 -2.476 -5.437 10.844
85 1HB GLN 14 HB2 GLN 14 -0.781 -5.769 12.767
86 2HB GLN 14 HB1 GLN 14 -0.155 -4.182 12.319
87 1HG GLN 14 HG2 GLN 14 -1.745 -3.419 13.766
88 2HG GLN 14 HG1 GLN 14 -2.830 -3.664 12.397
89 1HE2 GLN 14 HE21 GLN 14 -4.155 -3.886 14.714
90 2HE2 GLN 14 HE22 GLN 14 -4.414 -5.502 15.165
91 H CYS 15 HN CYS 15 0.589 -3.947 9.854
92 HA CYS 15 HA CYS 15 -0.168 -1.272 9.534
93 1HB CYS 15 HB2 CYS 15 1.774 -3.175 8.402
94 2HB CYS 15 HB1 CYS 15 1.435 -1.794 7.357
95 H LEU 16 HN LEU 16 -0.930 -4.048 7.470
96 HA LEU 16 HA LEU 16 -2.483 -2.219 5.682
97 1HB LEU 16 HB2 LEU 16 -1.116 -4.887 5.335
98 2HB LEU 16 HB1 LEU 16 -2.292 -4.298 4.157
99 HG LEU 16 HG LEU 16 -0.959 -2.194 3.939
100 1HD1 LEU 16 HD11 LEU 16 0.362 -1.838 5.771
101 2HD1 LEU 16 HD12 LEU 16 1.536 -2.756 4.829
102 3HD1 LEU 16 HD13 LEU 16 0.581 -3.561 6.075
103 1HD2 LEU 16 HD21 LEU 16 -0.625 -4.390 2.575
104 2HD2 LEU 16 HD22 LEU 16 0.889 -4.521 3.463
105 3HD2 LEU 16 HD23 LEU 16 0.584 -3.119 2.436
106 H SER 17 HN SER 17 -2.903 -4.391 8.218
107 HA SER 17 HA SER 17 -5.445 -5.547 7.222
108 1HB SER 17 HB2 SER 17 -3.782 -6.825 8.587
109 2HB SER 17 HB1 SER 17 -4.062 -5.710 9.919
110 HG SER 17 HG SER 17 -6.282 -6.900 8.725
111 H ALA 18 HN ALA 18 -4.388 -2.734 8.841
112 HA ALA 18 HA ALA 18 -7.201 -2.090 9.593
113 1HB ALA 18 HB1 ALA 18 -6.222 -2.938 11.615
114 2HB ALA 18 HB2 ALA 18 -6.186 -1.181 11.766
115 3HB ALA 18 HB3 ALA 18 -4.720 -2.060 11.332
116 HA PRO 19 HA PRO 19 -4.843 1.279 7.443
117 1HB PRO 19 HB2 PRO 19 -6.600 1.607 5.375
118 2HB PRO 19 HB1 PRO 19 -5.238 0.471 5.341
119 1HG PRO 19 HG2 PRO 19 -8.121 -0.046 5.773
120 2HG PRO 19 HG1 PRO 19 -6.899 -1.044 4.978
121 1HD PRO 19 HD2 PRO 19 -7.850 -1.463 7.536
122 2HD PRO 19 HD1 PRO 19 -6.303 -2.071 6.912
123 HA PRO 20 HA PRO 20 -8.902 3.783 8.041
124 1HB PRO 20 HB2 PRO 20 -10.727 2.738 9.792
125 2HB PRO 20 HB1 PRO 20 -10.801 2.473 8.039
126 1HG PRO 20 HG2 PRO 20 -9.834 0.668 10.186
127 2HG PRO 20 HG1 PRO 20 -10.707 0.287 8.696
128 1HD PRO 20 HD2 PRO 20 -8.023 -0.076 9.043
129 2HD PRO 20 HD1 PRO 20 -8.795 0.154 7.465
130 H PHE 21 HN PHE 21 -7.677 1.783 10.707
131 HA PHE 21 HA PHE 21 -7.881 4.044 12.611
132 1HB PHE 21 HB2 PHE 21 -6.584 1.343 13.016
133 2HB PHE 21 HB1 PHE 21 -7.311 2.390 14.233
134 HD1 PHE 21 HD1 PHE 21 -7.887 -0.631 13.193
135 HD2 PHE 21 HD2 PHE 21 -9.815 3.185 12.793
136 HE1 PHE 21 HE1 PHE 21 -10.066 -1.768 12.865
137 HE2 PHE 21 HE2 PHE 21 -11.995 2.050 12.465
138 HZ PHE 21 HZ PHE 21 -12.120 -0.427 12.502
139 H VAL 22 HN VAL 22 -5.911 3.645 10.142
140 HA VAL 22 HA VAL 22 -3.545 4.701 11.621
141 HB VAL 22 HB VAL 22 -2.112 3.132 10.418
142 1HG1 VAL 22 HG11 VAL 22 -2.905 1.025 11.428
143 2HG1 VAL 22 HG12 VAL 22 -4.503 1.739 11.658
144 3HG1 VAL 22 HG13 VAL 22 -3.117 2.376 12.542
145 1HG2 VAL 22 HG21 VAL 22 -3.470 1.252 9.164
146 2HG2 VAL 22 HG22 VAL 22 -3.083 2.756 8.331
147 3HG2 VAL 22 HG23 VAL 22 -4.690 2.516 9.013
148 H GLN 23 HN GLN 23 -1.815 5.054 9.539
149 HA GLN 23 HA GLN 23 -3.264 6.347 7.293
150 1HB GLN 23 HB2 GLN 23 -3.265 8.177 8.738
151 2HB GLN 23 HB1 GLN 23 -1.770 7.682 9.529
152 1HG GLN 23 HG2 GLN 23 -0.432 8.637 7.904
153 2HG GLN 23 HG1 GLN 23 -1.636 8.420 6.633
154 1HE2 GLN 23 HE21 GLN 23 -3.741 9.822 7.049
155 2HE2 GLN 23 HE22 GLN 23 -3.471 11.407 7.595
156 H CYS 24 HN CYS 24 -0.151 5.563 8.837
157 HA CYS 24 HA CYS 24 1.509 6.045 6.545
158 1HB CYS 24 HB2 CYS 24 3.178 5.129 7.934
159 2HB CYS 24 HB1 CYS 24 1.974 5.638 9.111
160 H GLY 25 HN GLY 25 2.769 4.072 5.555
161 1HA GLY 25 HA2 GLY 25 1.022 1.715 5.105
162 2HA GLY 25 HA1 GLY 25 1.487 2.666 3.692
163 H TRP 26 HN TRP 26 2.408 0.229 3.410
164 HA TRP 26 HA TRP 26 5.036 -0.113 4.735
165 1HB TRP 26 HB2 TRP 26 3.224 -1.889 4.105
166 2HB TRP 26 HB1 TRP 26 3.877 -1.754 2.480
167 HD1 TRP 26 HD1 TRP 26 6.064 -3.010 1.956
168 HE1 TRP 26 HE1 TRP 26 7.679 -4.470 3.338
169 HE3 TRP 26 HE3 TRP 26 4.271 -2.114 6.648
170 HZ2 TRP 26 HZ2 TRP 26 8.143 -5.168 6.071
171 HZ3 TRP 26 HZ3 TRP 26 5.311 -3.191 8.623
172 HH2 TRP 26 HH2 TRP 26 7.248 -4.714 8.339
173 H CYS 27 HN CYS 27 7.004 0.332 3.674
174 HA CYS 27 HA CYS 27 6.832 1.207 0.811
175 1HB CYS 27 HB2 CYS 27 6.785 2.891 2.886
176 2HB CYS 27 HB1 CYS 27 8.531 2.690 2.761
177 H HIS 28 HN HIS 28 8.029 -0.556 0.027
178 HA HIS 28 HA HIS 28 9.963 -1.752 -0.552
179 1HB HIS 28 HB2 HIS 28 10.529 0.868 -0.445
180 2HB HIS 28 HB1 HIS 28 11.653 0.292 0.787
181 HD1 HIS 28 HD1 HIS 28 10.622 -1.482 -2.417
182 HD2 HIS 28 HD2 HIS 28 14.027 0.156 -0.659
183 HE1 HIS 28 HE1 HIS 28 12.566 -2.085 -3.924
184 H ASP 29 HN ASP 29 9.247 -1.289 2.781
185 HA ASP 29 HA ASP 29 10.467 -3.687 3.621
186 1HB ASP 29 HB2 ASP 29 12.464 -2.507 4.850
187 2HB ASP 29 HB1 ASP 29 12.621 -2.894 3.138
188 H LYS 30 HN LYS 30 10.479 -0.343 4.954
189 HA LYS 30 HA LYS 30 9.312 -1.412 7.477
190 1HB LYS 30 HB2 LYS 30 11.320 -0.007 7.557
191 2HB LYS 30 HB1 LYS 30 10.491 1.265 6.662
192 1HG LYS 30 HG2 LYS 30 10.446 1.849 9.010
193 2HG LYS 30 HG1 LYS 30 8.813 1.394 8.529
194 1HD LYS 30 HD2 LYS 30 8.870 -0.596 9.714
195 2HD LYS 30 HD1 LYS 30 10.624 -0.741 9.586
196 1HE LYS 30 HE2 LYS 30 10.926 1.069 11.221
197 2HE LYS 30 HE1 LYS 30 9.168 1.294 11.315
198 1HZ LYS 30 HZ1 LYS 30 9.886 -0.176 13.074
199 2HZ LYS 30 HZ2 LYS 30 10.657 -1.198 11.958
200 3HZ LYS 30 HZ3 LYS 30 8.965 -1.052 11.952
201 H CYS 31 HN CYS 31 7.546 -0.117 8.500
202 HA CYS 31 HA CYS 31 5.459 0.507 6.517
203 1HB CYS 31 HB2 CYS 31 5.382 -0.825 8.799
204 2HB CYS 31 HB1 CYS 31 5.181 0.784 9.494
205 H VAL 32 HN VAL 32 5.762 2.530 5.645
206 HA VAL 32 HA VAL 32 5.572 4.850 7.486
207 HB VAL 32 HB VAL 32 7.538 5.882 6.584
208 1HG1 VAL 32 HG11 VAL 32 7.882 3.924 8.181
209 2HG1 VAL 32 HG12 VAL 32 9.276 4.345 7.184
210 3HG1 VAL 32 HG13 VAL 32 8.279 2.952 6.763
211 1HG2 VAL 32 HG21 VAL 32 8.804 4.491 4.741
212 2HG2 VAL 32 HG22 VAL 32 7.457 5.529 4.273
213 3HG2 VAL 32 HG23 VAL 32 7.212 3.791 4.449
214 H ARG 33 HN ARG 33 5.275 6.908 5.964
215 HA ARG 33 HA ARG 33 3.587 6.052 3.637
216 1HB ARG 33 HB2 ARG 33 2.873 7.360 5.979
217 2HB ARG 33 HB1 ARG 33 3.022 8.674 4.811
218 1HG ARG 33 HG2 ARG 33 1.634 7.193 3.227
219 2HG ARG 33 HG1 ARG 33 1.250 6.234 4.656
220 1HD ARG 33 HD2 ARG 33 -0.039 7.913 5.605
221 2HD ARG 33 HD1 ARG 33 0.901 9.206 4.832
222 HE ARG 33 HE ARG 33 -1.248 7.627 3.536
223 1HH1 ARG 33 HH11 ARG 33 -1.312 10.580 3.479
224 2HH1 ARG 33 HH12 ARG 33 -0.671 10.952 1.913
225 1HH2 ARG 33 HH21 ARG 33 0.719 7.810 1.440
226 2HH2 ARG 33 HH22 ARG 33 0.479 9.384 0.759
227 H SER 34 HN SER 34 3.279 8.020 2.088
228 HA SER 34 HA SER 34 5.549 8.624 0.664
229 1HB SER 34 HB2 SER 34 2.883 9.449 0.767
230 2HB SER 34 HB1 SER 34 3.798 10.948 0.882
231 HG SER 34 HG SER 34 5.066 9.814 -0.935
232 H GLU 35 HN GLU 35 4.516 10.191 3.660
233 HA GLU 35 HA GLU 35 6.256 12.458 3.584
234 1HB GLU 35 HB2 GLU 35 4.272 11.690 5.151
235 2HB GLU 35 HB1 GLU 35 5.574 10.987 6.114
236 1HG GLU 35 HG2 GLU 35 6.710 13.299 5.919
237 2HG GLU 35 HG1 GLU 35 5.129 13.886 5.401
238 H GLU 36 HN GLU 36 6.843 9.079 4.313
239 HA GLU 36 HA GLU 36 9.601 9.739 5.263
240 1HB GLU 36 HB2 GLU 36 7.598 7.567 5.692
241 2HB GLU 36 HB1 GLU 36 9.301 7.115 5.775
242 1HG GLU 36 HG2 GLU 36 8.136 9.455 7.306
243 2HG GLU 36 HG1 GLU 36 8.276 7.831 7.984
244 H CYS 37 HN CYS 37 7.786 8.044 2.750
245 HA CYS 37 HA CYS 37 10.022 6.576 1.640
246 1HB CYS 37 HB2 CYS 37 7.439 7.570 0.387
247 2HB CYS 37 HB1 CYS 37 8.462 6.284 -0.252
248 H LEU 38 HN LEU 38 11.810 7.878 1.121
249 HA LEU 38 HA LEU 38 11.856 10.524 0.200
250 1HB LEU 38 HB2 LEU 38 13.574 8.162 0.233
251 2HB LEU 38 HB1 LEU 38 13.901 9.185 -1.164
252 HG LEU 38 HG LEU 38 13.524 10.727 1.295
253 1HD1 LEU 38 HD11 LEU 38 15.433 8.437 1.223
254 2HD1 LEU 38 HD12 LEU 38 14.617 9.178 2.600
255 3HD1 LEU 38 HD13 LEU 38 16.028 9.959 1.887
256 1HD2 LEU 38 HD21 LEU 38 14.530 11.354 -1.028
257 2HD2 LEU 38 HD22 LEU 38 15.996 10.575 -0.430
258 3HD2 LEU 38 HD23 LEU 38 15.327 11.969 0.419
259 H SER 39 HN SER 39 11.557 7.529 -1.720
260 HA SER 39 HA SER 39 11.308 8.983 -4.254
261 1HB SER 39 HB2 SER 39 10.521 6.422 -4.736
262 2HB SER 39 HB1 SER 39 12.210 6.909 -4.636
263 HG SER 39 HG SER 39 11.604 5.101 -3.270
264 H GLY 40 HN GLY 40 9.226 7.744 -5.542
265 1HA GLY 40 HA2 GLY 40 6.856 8.670 -3.975
266 2HA GLY 40 HA1 GLY 40 6.949 8.686 -5.737
267 H THR 41 HN THR 41 7.504 6.234 -3.184
268 HA THR 41 HA THR 41 5.666 4.409 -4.698
269 HB THR 41 HB THR 41 8.023 3.847 -5.084
270 HG1 THR 41 HG1 THR 41 7.351 1.952 -3.177
271 1HG2 THR 41 HG21 THR 41 9.560 4.214 -3.489
272 2HG2 THR 41 HG22 THR 41 8.795 3.001 -2.460
273 3HG2 THR 41 HG23 THR 41 8.277 4.685 -2.375
274 H TRP 42 HN TRP 42 4.045 3.632 -3.411
275 HA TRP 42 HA TRP 42 4.524 3.220 -0.508
276 1HB TRP 42 HB2 TRP 42 3.756 5.593 -0.959
277 2HB TRP 42 HB1 TRP 42 2.256 4.917 -1.597
278 HD1 TRP 42 HD1 TRP 42 4.363 4.439 1.625
279 HE1 TRP 42 HE1 TRP 42 2.736 4.320 3.623
280 HE3 TRP 42 HE3 TRP 42 -0.085 4.912 -0.836
281 HZ2 TRP 42 HZ2 TRP 42 -0.083 4.412 4.107
282 HZ3 TRP 42 HZ3 TRP 42 -2.224 4.896 0.415
283 HH2 TRP 42 HH2 TRP 42 -2.227 4.647 2.882
284 H THR 43 HN THR 43 3.543 1.305 0.069
285 HA THR 43 HA THR 43 1.286 0.326 -1.657
286 HB THR 43 HB THR 43 3.259 -0.976 -2.062
287 HG1 THR 43 HG1 THR 43 2.635 -2.912 -0.571
288 1HG2 THR 43 HG21 THR 43 4.709 -0.311 -0.311
289 2HG2 THR 43 HG22 THR 43 4.430 -2.029 -0.021
290 3HG2 THR 43 HG23 THR 43 3.569 -0.821 0.932
291 H GLN 44 HN GLN 44 -0.501 -0.546 -0.556
292 HA GLN 44 HA GLN 44 -0.366 -0.537 2.441
293 1HB GLN 44 HB2 GLN 44 -1.745 1.210 0.740
294 2HB GLN 44 HB1 GLN 44 -2.979 0.085 1.309
295 1HG GLN 44 HG2 GLN 44 -1.073 1.676 3.051
296 2HG GLN 44 HG1 GLN 44 -2.802 1.974 2.857
297 1HE2 GLN 44 HE21 GLN 44 -0.760 0.716 5.063
298 2HE2 GLN 44 HE22 GLN 44 -1.725 -0.519 5.713
299 H GLN 45 HN GLN 45 -0.360 -2.664 0.134
300 HA GLN 45 HA GLN 45 -2.154 -4.540 1.535
301 1HB GLN 45 HB2 GLN 45 -3.186 -3.010 -0.474
302 2HB GLN 45 HB1 GLN 45 -2.608 -4.403 -1.389
303 1HG GLN 45 HG2 GLN 45 -4.795 -5.023 -0.778
304 2HG GLN 45 HG1 GLN 45 -3.790 -5.820 0.432
305 1HE2 GLN 45 HE21 GLN 45 -6.323 -3.495 -0.024
306 2HE2 GLN 45 HE22 GLN 45 -6.438 -2.991 1.593
307 H ILE 46 HN ILE 46 -0.476 -6.021 1.855
308 HA ILE 46 HA ILE 46 0.544 -7.412 -0.539
309 HB ILE 46 HB ILE 46 2.240 -5.774 -0.343
310 1HG1 ILE 46 HG12 ILE 46 3.869 -7.373 1.361
311 2HG1 ILE 46 HG11 ILE 46 2.807 -8.465 0.475
312 1HG2 ILE 46 HG21 ILE 46 3.315 -5.408 1.996
313 2HG2 ILE 46 HG22 ILE 46 1.827 -6.119 2.618
314 3HG2 ILE 46 HG23 ILE 46 1.764 -4.644 1.654
315 1HD1 ILE 46 HD11 ILE 46 4.509 -6.297 -0.784
316 2HD1 ILE 46 HD12 ILE 46 3.476 -7.436 -1.648
317 3HD1 ILE 46 HD13 ILE 46 4.896 -8.018 -0.778
318 H CYS 47 HN CYS 47 0.360 -7.170 2.998
319 HA CYS 47 HA CYS 47 0.808 -10.125 3.203
320 1HB CYS 47 HB2 CYS 47 0.773 -8.086 5.441
321 2HB CYS 47 HB1 CYS 47 1.558 -9.665 5.419
322 H LEU 48 HN LEU 48 -1.093 -11.274 3.395
323 HA LEU 48 HA LEU 48 -3.607 -9.953 4.106
324 1HB LEU 48 HB2 LEU 48 -2.626 -12.512 3.038
325 2HB LEU 48 HB1 LEU 48 -4.026 -12.689 4.096
326 HG LEU 48 HG LEU 48 -4.465 -10.422 2.403
327 1HD1 LEU 48 HD11 LEU 48 -4.032 -12.942 0.802
328 2HD1 LEU 48 HD12 LEU 48 -2.738 -11.761 1.005
329 3HD1 LEU 48 HD13 LEU 48 -4.246 -11.292 0.218
330 1HD2 LEU 48 HD21 LEU 48 -5.739 -13.169 2.271
331 2HD2 LEU 48 HD22 LEU 48 -6.475 -11.625 1.842
332 3HD2 LEU 48 HD23 LEU 48 -6.118 -11.993 3.529
Start of MODEL 17
1 1H GLY 1 HT1 GLY 1 -9.364 -1.617 20.310
2 2H GLY 1 HT2 GLY 1 -10.829 -0.864 20.728
3 3H GLY 1 HT3 GLY 1 -10.032 -0.439 19.289
4 1HA GLY 1 HA2 GLY 1 -11.354 -3.020 19.913
5 2HA GLY 1 HA1 GLY 1 -11.849 -1.835 18.705
6 H SER 2 HN SER 2 -8.774 -1.457 18.277
7 HA SER 2 HA SER 2 -8.148 -3.989 16.857
8 1HB SER 2 HB2 SER 2 -9.585 -2.233 15.515
9 2HB SER 2 HB1 SER 2 -8.049 -1.389 15.349
10 HG SER 2 HG SER 2 -7.191 -3.223 14.382
11 H ALA 3 HN ALA 3 -7.068 -0.564 17.087
12 HA ALA 3 HA ALA 3 -4.606 -1.195 18.435
13 1HB ALA 3 HB1 ALA 3 -4.618 -2.116 15.892
14 2HB ALA 3 HB2 ALA 3 -3.149 -1.554 16.692
15 3HB ALA 3 HB3 ALA 3 -4.030 -0.479 15.605
16 H MET 4 HN MET 4 -2.992 0.812 17.101
17 HA MET 4 HA MET 4 -4.617 3.270 17.679
18 1HB MET 4 HB2 MET 4 -1.855 2.362 18.446
19 2HB MET 4 HB1 MET 4 -2.206 4.089 18.348
20 1HG MET 4 HG2 MET 4 -3.449 4.053 20.242
21 2HG MET 4 HG1 MET 4 -4.275 2.570 19.769
22 1HE MET 4 HE1 MET 4 -2.122 -0.020 19.916
23 2HE MET 4 HE2 MET 4 -3.787 0.552 19.986
24 3HE MET 4 HE3 MET 4 -3.036 -0.126 21.428
25 H GLY 5 HN GLY 5 -1.302 2.922 16.429
26 1HA GLY 5 HA2 GLY 5 -2.224 4.308 13.941
27 2HA GLY 5 HA1 GLY 5 -0.668 4.640 14.702
28 H CYS 6 HN CYS 6 -0.767 3.878 12.037
29 HA CYS 6 HA CYS 6 -0.384 1.023 11.681
30 1HB CYS 6 HB2 CYS 6 -1.153 2.293 9.837
31 2HB CYS 6 HB1 CYS 6 0.062 3.539 10.076
32 H ARG 7 HN ARG 7 1.772 3.829 12.121
33 HA ARG 7 HA ARG 7 4.256 2.520 11.617
34 1HB ARG 7 HB2 ARG 7 3.223 4.958 12.900
35 2HB ARG 7 HB1 ARG 7 4.743 4.397 13.596
36 1HG ARG 7 HG2 ARG 7 5.922 4.969 11.753
37 2HG ARG 7 HG1 ARG 7 4.726 4.256 10.672
38 1HD ARG 7 HD2 ARG 7 4.628 7.017 11.937
39 2HD ARG 7 HD1 ARG 7 4.725 6.624 10.210
40 HE ARG 7 HE ARG 7 2.465 5.271 11.056
41 1HH1 ARG 7 HH21 ARG 7 2.780 7.852 12.913
42 2HH1 ARG 7 HH22 ARG 7 1.567 8.846 12.177
43 1HH2 ARG 7 HH11 ARG 7 1.249 6.835 9.370
44 2HH2 ARG 7 HH12 ARG 7 0.700 8.269 10.170
45 H HIS 8 HN HIS 8 2.188 2.643 14.490
46 HA HIS 8 HA HIS 8 4.034 1.510 16.370
47 1HB HIS 8 HB2 HIS 8 2.066 2.585 17.163
48 2HB HIS 8 HB1 HIS 8 1.027 1.652 16.087
49 HD1 HIS 8 HD1 HIS 8 3.286 1.125 19.109
50 HD2 HIS 8 HD2 HIS 8 0.039 -0.683 17.220
51 HE1 HIS 8 HE1 HIS 8 2.565 -0.791 20.600
52 H PHE 9 HN PHE 9 1.780 0.064 14.037
53 HA PHE 9 HA PHE 9 1.802 -2.624 14.885
54 1HB PHE 9 HB2 PHE 9 1.871 -1.477 12.071
55 2HB PHE 9 HB1 PHE 9 1.257 -3.068 12.517
56 HD1 PHE 9 HD1 PHE 9 -0.614 -1.468 11.098
57 HD2 PHE 9 HD2 PHE 9 0.377 -1.282 15.276
58 HE1 PHE 9 HE1 PHE 9 -2.839 -0.490 11.586
59 HE2 PHE 9 HE2 PHE 9 -1.847 -0.305 15.760
60 HZ PHE 9 HZ PHE 9 -3.455 0.092 13.915
61 H GLN 10 HN GLN 10 3.473 -4.060 15.082
62 HA GLN 10 HA GLN 10 6.183 -3.410 14.380
63 1HB GLN 10 HB2 GLN 10 4.652 -5.466 15.718
64 2HB GLN 10 HB1 GLN 10 5.891 -6.205 14.702
65 1HG GLN 10 HG2 GLN 10 7.542 -5.539 16.086
66 2HG GLN 10 HG1 GLN 10 6.928 -3.885 16.121
67 1HE2 GLN 10 HE21 GLN 10 4.331 -4.409 17.235
68 2HE2 GLN 10 HE22 GLN 10 4.539 -4.952 18.829
69 H SER 11 HN SER 11 4.481 -6.317 13.203
70 HA SER 11 HA SER 11 6.087 -6.348 10.764
71 1HB SER 11 HB2 SER 11 4.883 -8.205 12.322
72 2HB SER 11 HB1 SER 11 3.653 -8.030 11.075
73 HG SER 11 HG SER 11 6.301 -8.208 10.237
74 H CYS 12 HN CYS 12 4.227 -7.211 8.871
75 HA CYS 12 HA CYS 12 2.932 -4.650 8.142
76 1HB CYS 12 HB2 CYS 12 2.767 -5.754 5.949
77 2HB CYS 12 HB1 CYS 12 4.398 -5.946 6.593
78 H SER 13 HN SER 13 2.094 -7.686 9.513
79 HA SER 13 HA SER 13 -0.411 -8.367 8.574
80 1HB SER 13 HB2 SER 13 0.645 -8.159 11.405
81 2HB SER 13 HB1 SER 13 -0.836 -9.018 10.987
82 HG SER 13 HG SER 13 0.795 -9.966 9.306
83 H GLN 14 HN GLN 14 0.021 -6.065 11.312
84 HA GLN 14 HA GLN 14 -2.732 -5.139 11.080
85 1HB GLN 14 HB2 GLN 14 -1.105 -5.293 13.118
86 2HB GLN 14 HB1 GLN 14 -0.517 -3.729 12.553
87 1HG GLN 14 HG2 GLN 14 -2.224 -2.869 13.786
88 2HG GLN 14 HG1 GLN 14 -3.243 -3.378 12.437
89 1HE2 GLN 14 HE21 GLN 14 -3.047 -6.237 12.872
90 2HE2 GLN 14 HE22 GLN 14 -3.868 -6.597 14.314
91 H CYS 15 HN CYS 15 0.409 -4.012 9.926
92 HA CYS 15 HA CYS 15 -0.054 -1.332 9.323
93 1HB CYS 15 HB2 CYS 15 1.397 -3.606 8.009
94 2HB CYS 15 HB1 CYS 15 1.325 -2.054 7.172
95 H LEU 16 HN LEU 16 -1.314 -4.194 7.663
96 HA LEU 16 HA LEU 16 -2.818 -2.398 5.798
97 1HB LEU 16 HB2 LEU 16 -1.809 -5.245 5.681
98 2HB LEU 16 HB1 LEU 16 -2.991 -4.633 4.523
99 HG LEU 16 HG LEU 16 -1.431 -2.794 3.925
100 1HD1 LEU 16 HD11 LEU 16 1.037 -3.461 4.771
101 2HD1 LEU 16 HD12 LEU 16 0.106 -4.025 6.157
102 3HD1 LEU 16 HD13 LEU 16 0.006 -2.337 5.656
103 1HD2 LEU 16 HD21 LEU 16 -1.420 -5.132 2.833
104 2HD2 LEU 16 HD22 LEU 16 0.060 -5.413 3.749
105 3HD2 LEU 16 HD23 LEU 16 -0.008 -4.110 2.562
106 H SER 17 HN SER 17 -3.175 -4.531 8.479
107 HA SER 17 HA SER 17 -5.835 -5.547 7.960
108 1HB SER 17 HB2 SER 17 -5.629 -6.372 10.133
109 2HB SER 17 HB1 SER 17 -3.938 -6.124 9.720
110 HG SER 17 HG SER 17 -4.692 -5.213 11.774
111 H ALA 18 HN ALA 18 -4.581 -2.527 9.196
112 HA ALA 18 HA ALA 18 -7.376 -1.522 9.464
113 1HB ALA 18 HB1 ALA 18 -6.018 -0.441 11.613
114 2HB ALA 18 HB2 ALA 18 -5.326 -2.061 11.501
115 3HB ALA 18 HB3 ALA 18 -7.067 -1.856 11.693
116 HA PRO 19 HA PRO 19 -4.369 1.395 7.437
117 1HB PRO 19 HB2 PRO 19 -5.655 1.569 5.026
118 2HB PRO 19 HB1 PRO 19 -4.390 0.379 5.385
119 1HG PRO 19 HG2 PRO 19 -7.328 0.035 5.261
120 2HG PRO 19 HG1 PRO 19 -6.036 -1.096 4.846
121 1HD PRO 19 HD2 PRO 19 -7.507 -1.183 7.183
122 2HD PRO 19 HD1 PRO 19 -5.908 -1.922 6.957
123 HA PRO 20 HA PRO 20 -8.277 4.152 7.025
124 1HB PRO 20 HB2 PRO 20 -10.520 3.327 8.346
125 2HB PRO 20 HB1 PRO 20 -10.206 2.932 6.645
126 1HG PRO 20 HG2 PRO 20 -9.894 1.248 9.066
127 2HG PRO 20 HG1 PRO 20 -10.414 0.799 7.435
128 1HD PRO 20 HD2 PRO 20 -7.911 0.343 8.455
129 2HD PRO 20 HD1 PRO 20 -8.286 0.452 6.726
130 H PHE 21 HN PHE 21 -7.647 2.243 9.910
131 HA PHE 21 HA PHE 21 -8.281 4.490 11.729
132 1HB PHE 21 HB2 PHE 21 -6.987 1.842 12.403
133 2HB PHE 21 HB1 PHE 21 -8.017 2.844 13.426
134 HD1 PHE 21 HD1 PHE 21 -8.134 -0.194 12.136
135 HD2 PHE 21 HD2 PHE 21 -10.237 3.517 11.631
136 HE1 PHE 21 HE1 PHE 21 -10.128 -1.432 11.332
137 HE2 PHE 21 HE2 PHE 21 -12.231 2.279 10.830
138 HZ PHE 21 HZ PHE 21 -12.176 -0.197 10.680
139 H VAL 22 HN VAL 22 -5.750 3.875 9.739
140 HA VAL 22 HA VAL 22 -3.808 5.147 11.631
141 HB VAL 22 HB VAL 22 -2.105 3.594 10.754
142 1HG1 VAL 22 HG11 VAL 22 -4.336 1.740 11.427
143 2HG1 VAL 22 HG12 VAL 22 -3.991 3.014 12.595
144 3HG1 VAL 22 HG13 VAL 22 -2.729 1.869 12.141
145 1HG2 VAL 22 HG21 VAL 22 -3.371 1.584 9.451
146 2HG2 VAL 22 HG22 VAL 22 -2.604 2.933 8.613
147 3HG2 VAL 22 HG23 VAL 22 -4.344 2.951 8.906
148 H GLN 23 HN GLN 23 -1.731 5.692 10.085
149 HA GLN 23 HA GLN 23 -2.758 6.864 7.528
150 1HB GLN 23 HB2 GLN 23 -2.865 8.621 9.162
151 2HB GLN 23 HB1 GLN 23 -1.283 8.194 9.815
152 1HG GLN 23 HG2 GLN 23 -0.155 9.280 8.156
153 2HG GLN 23 HG1 GLN 23 -1.328 8.820 6.921
154 1HE2 GLN 23 HE21 GLN 23 -3.457 10.064 6.965
155 2HE2 GLN 23 HE22 GLN 23 -3.435 11.673 7.504
156 H CYS 24 HN CYS 24 -0.702 4.687 8.678
157 HA CYS 24 HA CYS 24 1.567 5.549 6.920
158 1HB CYS 24 HB2 CYS 24 2.818 5.174 8.759
159 2HB CYS 24 HB1 CYS 24 1.388 4.687 9.649
160 H GLY 25 HN GLY 25 2.643 3.742 5.757
161 1HA GLY 25 HA2 GLY 25 0.957 1.326 5.352
162 2HA GLY 25 HA1 GLY 25 1.315 2.335 3.951
163 H TRP 26 HN TRP 26 2.263 -0.039 3.505
164 HA TRP 26 HA TRP 26 4.958 -0.430 4.669
165 1HB TRP 26 HB2 TRP 26 3.081 -2.141 3.986
166 2HB TRP 26 HB1 TRP 26 3.719 -1.920 2.361
167 HD1 TRP 26 HD1 TRP 26 5.854 -3.191 1.733
168 HE1 TRP 26 HE1 TRP 26 7.471 -4.750 2.999
169 HE3 TRP 26 HE3 TRP 26 4.185 -2.504 6.504
170 HZ2 TRP 26 HZ2 TRP 26 7.984 -5.596 5.687
171 HZ3 TRP 26 HZ3 TRP 26 5.248 -3.698 8.400
172 HH2 TRP 26 HH2 TRP 26 7.147 -5.241 7.994
173 H CYS 27 HN CYS 27 6.859 0.153 3.582
174 HA CYS 27 HA CYS 27 6.598 1.081 0.744
175 1HB CYS 27 HB2 CYS 27 6.579 2.778 2.789
176 2HB CYS 27 HB1 CYS 27 8.323 2.546 2.701
177 H HIS 28 HN HIS 28 7.780 -0.636 -0.115
178 HA HIS 28 HA HIS 28 9.720 -1.740 -0.841
179 1HB HIS 28 HB2 HIS 28 11.124 0.389 0.780
180 2HB HIS 28 HB1 HIS 28 11.751 -0.477 -0.622
181 HD1 HIS 28 HD1 HIS 28 10.749 2.733 -0.008
182 HD2 HIS 28 HD2 HIS 28 9.353 -0.065 -2.765
183 HE1 HIS 28 HE1 HIS 28 9.598 4.047 -1.838
184 H ASP 29 HN ASP 29 9.107 -1.472 2.578
185 HA ASP 29 HA ASP 29 10.100 -4.041 3.192
186 1HB ASP 29 HB2 ASP 29 12.262 -3.308 4.360
187 2HB ASP 29 HB1 ASP 29 12.304 -3.312 2.602
188 H LYS 30 HN LYS 30 10.293 -0.756 4.648
189 HA LYS 30 HA LYS 30 9.248 -1.905 7.195
190 1HB LYS 30 HB2 LYS 30 11.355 -0.575 7.133
191 2HB LYS 30 HB1 LYS 30 10.442 0.803 6.517
192 1HG LYS 30 HG2 LYS 30 10.275 1.345 8.728
193 2HG LYS 30 HG1 LYS 30 8.956 0.176 8.706
194 1HD LYS 30 HD2 LYS 30 10.075 -1.156 10.129
195 2HD LYS 30 HD1 LYS 30 11.437 -1.236 9.010
196 1HE LYS 30 HE2 LYS 30 12.316 0.894 9.923
197 2HE LYS 30 HE1 LYS 30 10.961 0.952 11.068
198 1HZ LYS 30 HZ1 LYS 30 12.381 -0.238 12.343
199 2HZ LYS 30 HZ2 LYS 30 13.270 -0.825 11.019
200 3HZ LYS 30 HZ3 LYS 30 11.784 -1.539 11.433
201 H CYS 31 HN CYS 31 7.476 -0.852 8.285
202 HA CYS 31 HA CYS 31 5.369 0.069 6.493
203 1HB CYS 31 HB2 CYS 31 5.417 -1.326 8.763
204 2HB CYS 31 HB1 CYS 31 5.244 0.277 9.477
205 H VAL 32 HN VAL 32 5.710 2.120 5.679
206 HA VAL 32 HA VAL 32 5.766 4.360 7.630
207 HB VAL 32 HB VAL 32 7.709 5.334 6.652
208 1HG1 VAL 32 HG11 VAL 32 8.302 2.368 6.535
209 2HG1 VAL 32 HG12 VAL 32 8.076 3.236 8.054
210 3HG1 VAL 32 HG13 VAL 32 9.404 3.672 6.979
211 1HG2 VAL 32 HG21 VAL 32 8.756 4.154 4.601
212 2HG2 VAL 32 HG22 VAL 32 7.316 5.135 4.325
213 3HG2 VAL 32 HG23 VAL 32 7.184 3.379 4.415
214 H ARG 33 HN ARG 33 5.474 6.502 6.229
215 HA ARG 33 HA ARG 33 3.472 5.868 4.088
216 1HB ARG 33 HB2 ARG 33 3.074 7.095 6.468
217 2HB ARG 33 HB1 ARG 33 3.482 8.493 5.475
218 1HG ARG 33 HG2 ARG 33 1.788 7.324 3.779
219 2HG ARG 33 HG1 ARG 33 1.144 6.649 5.276
220 1HD ARG 33 HD2 ARG 33 -0.062 8.631 5.231
221 2HD ARG 33 HD1 ARG 33 1.397 9.226 6.049
222 HE ARG 33 HE ARG 33 2.171 10.132 3.936
223 1HH1 ARG 33 HH21 ARG 33 0.806 7.967 2.244
224 2HH1 ARG 33 HH22 ARG 33 -0.390 8.909 1.417
225 1HH2 ARG 33 HH11 ARG 33 -0.109 11.629 3.550
226 2HH2 ARG 33 HH12 ARG 33 -0.906 10.981 2.154
227 H SER 34 HN SER 34 3.202 7.886 2.580
228 HA SER 34 HA SER 34 5.438 8.268 0.967
229 1HB SER 34 HB2 SER 34 3.764 10.665 1.227
230 2HB SER 34 HB1 SER 34 3.969 9.591 -0.153
231 HG SER 34 HG SER 34 1.904 9.295 0.507
232 H GLU 35 HN GLU 35 4.545 10.056 3.892
233 HA GLU 35 HA GLU 35 6.427 12.188 3.701
234 1HB GLU 35 HB2 GLU 35 4.461 11.842 5.285
235 2HB GLU 35 HB1 GLU 35 5.503 10.759 6.207
236 1HG GLU 35 HG2 GLU 35 6.988 13.136 5.697
237 2HG GLU 35 HG1 GLU 35 5.402 13.620 6.299
238 H GLU 36 HN GLU 36 6.924 8.820 4.198
239 HA GLU 36 HA GLU 36 9.699 9.349 5.213
240 1HB GLU 36 HB2 GLU 36 7.546 7.637 6.070
241 2HB GLU 36 HB1 GLU 36 8.929 6.644 5.606
242 1HG GLU 36 HG2 GLU 36 9.042 9.007 7.505
243 2HG GLU 36 HG1 GLU 36 9.043 7.313 7.994
244 H CYS 37 HN CYS 37 7.748 7.927 2.710
245 HA CYS 37 HA CYS 37 9.722 6.094 1.645
246 1HB CYS 37 HB2 CYS 37 7.320 7.520 0.453
247 2HB CYS 37 HB1 CYS 37 8.190 6.213 -0.350
248 H LEU 38 HN LEU 38 11.341 6.499 0.126
249 HA LEU 38 HA LEU 38 12.570 9.000 -0.133
250 1HB LEU 38 HB2 LEU 38 12.612 6.369 -1.429
251 2HB LEU 38 HB1 LEU 38 13.112 7.669 -2.510
252 HG LEU 38 HG LEU 38 14.218 7.500 0.286
253 1HD1 LEU 38 HD11 LEU 38 14.844 5.790 -2.073
254 2HD1 LEU 38 HD12 LEU 38 14.985 5.428 -0.353
255 3HD1 LEU 38 HD13 LEU 38 16.212 6.414 -1.150
256 1HD2 LEU 38 HD21 LEU 38 14.784 9.541 -0.744
257 2HD2 LEU 38 HD22 LEU 38 14.964 8.796 -2.332
258 3HD2 LEU 38 HD23 LEU 38 16.185 8.528 -1.088
259 H SER 39 HN SER 39 10.973 7.514 -2.956
260 HA SER 39 HA SER 39 10.349 10.191 -4.026
261 1HB SER 39 HB2 SER 39 10.696 7.455 -4.945
262 2HB SER 39 HB1 SER 39 9.237 8.165 -5.627
263 HG SER 39 HG SER 39 11.551 9.724 -5.558
264 H GLY 40 HN GLY 40 7.941 9.523 -5.385
265 1HA GLY 40 HA2 GLY 40 6.031 9.773 -3.144
266 2HA GLY 40 HA1 GLY 40 5.668 10.054 -4.849
267 H THR 41 HN THR 41 7.308 7.184 -3.605
268 HA THR 41 HA THR 41 5.061 5.541 -4.685
269 HB THR 41 HB THR 41 7.431 5.287 -5.504
270 HG1 THR 41 HG1 THR 41 7.100 3.204 -5.710
271 1HG2 THR 41 HG21 THR 41 7.914 4.159 -2.736
272 2HG2 THR 41 HG22 THR 41 8.464 5.750 -3.264
273 3HG2 THR 41 HG23 THR 41 9.089 4.297 -4.044
274 H TRP 42 HN TRP 42 3.728 4.540 -3.252
275 HA TRP 42 HA TRP 42 4.748 3.719 -0.577
276 1HB TRP 42 HB2 TRP 42 3.908 5.993 -0.304
277 2HB TRP 42 HB1 TRP 42 2.424 5.584 -1.159
278 HD1 TRP 42 HD1 TRP 42 4.305 4.679 2.085
279 HE1 TRP 42 HE1 TRP 42 2.564 3.996 3.860
280 HE3 TRP 42 HE3 TRP 42 0.064 4.846 -0.747
281 HZ2 TRP 42 HZ2 TRP 42 -0.268 3.569 4.044
282 HZ3 TRP 42 HZ3 TRP 42 -2.138 4.298 0.245
283 HH2 TRP 42 HH2 TRP 42 -2.310 3.660 2.635
284 H THR 43 HN THR 43 3.868 1.689 -0.064
285 HA THR 43 HA THR 43 1.432 0.866 -1.623
286 HB THR 43 HB THR 43 3.520 -0.152 -2.443
287 HG1 THR 43 HG1 THR 43 2.845 -2.426 -1.615
288 1HG2 THR 43 HG21 THR 43 3.781 -1.093 0.423
289 2HG2 THR 43 HG22 THR 43 4.870 0.000 -0.432
290 3HG2 THR 43 HG23 THR 43 4.763 -1.694 -0.912
291 H GLN 44 HN GLN 44 -0.016 -0.559 -0.536
292 HA GLN 44 HA GLN 44 0.460 -0.972 2.390
293 1HB GLN 44 HB2 GLN 44 -1.863 -0.197 2.767
294 2HB GLN 44 HB1 GLN 44 -0.896 1.064 2.001
295 1HG GLN 44 HG2 GLN 44 -2.051 0.945 0.033
296 2HG GLN 44 HG1 GLN 44 -2.282 -0.800 0.155
297 1HE2 GLN 44 HE21 GLN 44 -3.157 1.591 2.669
298 2HE2 GLN 44 HE22 GLN 44 -4.827 1.298 2.594
299 H GLN 45 HN GLN 45 0.610 -2.786 0.052
300 HA GLN 45 HA GLN 45 -1.319 -4.830 1.018
301 1HB GLN 45 HB2 GLN 45 -1.210 -3.525 -1.683
302 2HB GLN 45 HB1 GLN 45 -1.687 -5.219 -1.579
303 1HG GLN 45 HG2 GLN 45 -3.426 -4.593 0.094
304 2HG GLN 45 HG1 GLN 45 -2.990 -2.897 -0.129
305 1HE2 GLN 45 HE21 GLN 45 -5.543 -4.465 -0.861
306 2HE2 GLN 45 HE22 GLN 45 -5.788 -4.103 -2.501
307 H ILE 46 HN ILE 46 0.292 -6.273 1.660
308 HA ILE 46 HA ILE 46 1.969 -7.425 -0.498
309 HB ILE 46 HB ILE 46 3.357 -5.654 0.362
310 1HG1 ILE 46 HG12 ILE 46 4.850 -7.397 1.966
311 2HG1 ILE 46 HG11 ILE 46 3.978 -8.455 0.856
312 1HG2 ILE 46 HG21 ILE 46 2.211 -6.549 2.957
313 2HG2 ILE 46 HG22 ILE 46 2.604 -4.922 2.401
314 3HG2 ILE 46 HG23 ILE 46 3.881 -5.988 2.984
315 1HD1 ILE 46 HD11 ILE 46 4.734 -6.704 -0.955
316 2HD1 ILE 46 HD12 ILE 46 5.871 -7.934 -0.401
317 3HD1 ILE 46 HD13 ILE 46 5.967 -6.293 0.237
318 H CYS 47 HN CYS 47 0.714 -7.595 2.810
319 HA CYS 47 HA CYS 47 1.490 -10.478 2.933
320 1HB CYS 47 HB2 CYS 47 0.461 -8.677 5.143
321 2HB CYS 47 HB1 CYS 47 1.345 -10.193 5.314
322 H LEU 48 HN LEU 48 -0.181 -11.684 2.073
323 HA LEU 48 HA LEU 48 -2.995 -10.853 2.541
324 1HB LEU 48 HB2 LEU 48 -1.540 -12.848 0.802
325 2HB LEU 48 HB1 LEU 48 -3.295 -12.897 0.965
326 HG LEU 48 HG LEU 48 -3.173 -10.349 0.409
327 1HD1 LEU 48 HD11 LEU 48 -0.539 -11.350 -0.718
328 2HD1 LEU 48 HD12 LEU 48 -0.719 -10.177 0.588
329 3HD1 LEU 48 HD13 LEU 48 -1.257 -9.772 -1.042
330 1HD2 LEU 48 HD21 LEU 48 -2.425 -12.136 -1.894
331 2HD2 LEU 48 HD22 LEU 48 -3.639 -10.858 -1.832
332 3HD2 LEU 48 HD23 LEU 48 -3.941 -12.402 -1.033
Start of MODEL 18
1 1H GLY 1 HT1 GLY 1 -7.557 9.419 18.074
2 2H GLY 1 HT2 GLY 1 -8.308 8.960 19.528
3 3H GLY 1 HT3 GLY 1 -9.086 10.038 18.469
4 1HA GLY 1 HA2 GLY 1 -9.634 7.445 18.556
5 2HA GLY 1 HA1 GLY 1 -9.812 8.423 17.099
6 H SER 2 HN SER 2 -7.827 6.034 18.714
7 HA SER 2 HA SER 2 -5.990 4.759 17.917
8 1HB SER 2 HB2 SER 2 -6.677 3.572 16.018
9 2HB SER 2 HB1 SER 2 -8.204 4.238 16.588
10 HG SER 2 HG SER 2 -7.414 6.112 15.139
11 H ALA 3 HN ALA 3 -5.454 7.575 17.915
12 HA ALA 3 HA ALA 3 -4.480 8.617 15.451
13 1HB ALA 3 HB1 ALA 3 -4.266 9.103 18.348
14 2HB ALA 3 HB2 ALA 3 -4.492 10.257 17.034
15 3HB ALA 3 HB3 ALA 3 -2.875 9.678 17.431
16 H MET 4 HN MET 4 -1.745 9.215 16.074
17 HA MET 4 HA MET 4 0.435 8.295 15.969
18 1HB MET 4 HB2 MET 4 -1.035 6.627 17.614
19 2HB MET 4 HB1 MET 4 -0.437 5.515 16.382
20 1HG MET 4 HG2 MET 4 1.866 6.418 16.752
21 2HG MET 4 HG1 MET 4 1.232 7.407 18.065
22 1HE MET 4 HE1 MET 4 0.407 5.685 20.805
23 2HE MET 4 HE2 MET 4 -0.804 4.841 19.844
24 3HE MET 4 HE3 MET 4 -0.446 6.532 19.506
25 H GLY 5 HN GLY 5 -1.577 5.560 14.836
26 1HA GLY 5 HA2 GLY 5 -1.986 5.323 12.372
27 2HA GLY 5 HA1 GLY 5 -0.353 5.945 12.133
28 H CYS 6 HN CYS 6 -0.483 3.725 10.892
29 HA CYS 6 HA CYS 6 -0.087 1.370 12.604
30 1HB CYS 6 HB2 CYS 6 0.394 0.332 10.269
31 2HB CYS 6 HB1 CYS 6 -1.238 0.896 10.601
32 H ARG 7 HN ARG 7 1.868 3.918 11.783
33 HA ARG 7 HA ARG 7 4.339 2.732 10.996
34 1HB ARG 7 HB2 ARG 7 3.603 5.138 12.692
35 2HB ARG 7 HB1 ARG 7 5.256 4.806 12.173
36 1HG ARG 7 HG2 ARG 7 4.159 4.616 9.787
37 2HG ARG 7 HG1 ARG 7 2.875 5.576 10.523
38 1HD ARG 7 HD2 ARG 7 4.891 7.068 11.374
39 2HD ARG 7 HD1 ARG 7 5.725 6.338 9.987
40 HE ARG 7 HE ARG 7 4.343 7.641 8.593
41 1HH1 ARG 7 HH11 ARG 7 3.068 7.424 11.780
42 2HH1 ARG 7 HH12 ARG 7 1.591 8.240 11.392
43 1HH2 ARG 7 HH21 ARG 7 2.342 8.566 8.024
44 2HH2 ARG 7 HH22 ARG 7 1.180 8.887 9.267
45 H HIS 8 HN HIS 8 2.653 2.864 14.056
46 HA HIS 8 HA HIS 8 4.922 2.043 15.700
47 1HB HIS 8 HB2 HIS 8 3.349 3.211 16.926
48 2HB HIS 8 HB1 HIS 8 2.007 2.627 15.947
49 HD1 HIS 8 HD1 HIS 8 4.165 1.678 18.883
50 HD2 HIS 8 HD2 HIS 8 0.825 0.218 16.859
51 HE1 HIS 8 HE1 HIS 8 3.222 -0.187 20.311
52 H PHE 9 HN PHE 9 2.460 0.457 13.799
53 HA PHE 9 HA PHE 9 2.221 -2.070 14.978
54 1HB PHE 9 HB2 PHE 9 2.412 -1.172 12.089
55 2HB PHE 9 HB1 PHE 9 1.888 -2.786 12.564
56 HD1 PHE 9 HD1 PHE 9 -0.141 -1.721 11.126
57 HD2 PHE 9 HD2 PHE 9 0.908 -0.609 15.136
58 HE1 PHE 9 HE1 PHE 9 -2.443 -0.887 11.493
59 HE2 PHE 9 HE2 PHE 9 -1.394 0.224 15.506
60 HZ PHE 9 HZ PHE 9 -3.070 0.087 13.685
61 H GLN 10 HN GLN 10 3.379 -4.079 14.572
62 HA GLN 10 HA GLN 10 6.289 -3.748 14.504
63 1HB GLN 10 HB2 GLN 10 4.533 -6.226 14.566
64 2HB GLN 10 HB1 GLN 10 6.240 -6.151 15.001
65 1HG GLN 10 HG2 GLN 10 4.175 -4.437 16.384
66 2HG GLN 10 HG1 GLN 10 4.539 -6.073 16.932
67 1HE2 GLN 10 HE21 GLN 10 5.154 -4.215 18.792
68 2HE2 GLN 10 HE22 GLN 10 6.820 -3.891 18.846
69 H SER 11 HN SER 11 4.358 -6.169 12.727
70 HA SER 11 HA SER 11 6.174 -5.794 10.391
71 1HB SER 11 HB2 SER 11 4.737 -7.978 11.715
72 2HB SER 11 HB1 SER 11 4.535 -8.000 9.966
73 HG SER 11 HG SER 11 6.515 -8.996 11.132
74 H CYS 12 HN CYS 12 4.663 -6.648 8.314
75 HA CYS 12 HA CYS 12 2.904 -4.403 7.771
76 1HB CYS 12 HB2 CYS 12 2.747 -5.444 5.598
77 2HB CYS 12 HB1 CYS 12 4.396 -5.698 6.166
78 H SER 13 HN SER 13 2.458 -7.404 9.330
79 HA SER 13 HA SER 13 -0.060 -8.330 8.583
80 1HB SER 13 HB2 SER 13 1.588 -9.168 10.340
81 2HB SER 13 HB1 SER 13 0.891 -7.979 11.436
82 HG SER 13 HG SER 13 -1.191 -9.042 10.659
83 H GLN 14 HN GLN 14 0.441 -5.988 11.276
84 HA GLN 14 HA GLN 14 -2.386 -5.276 11.302
85 1HB GLN 14 HB2 GLN 14 -0.619 -5.317 13.198
86 2HB GLN 14 HB1 GLN 14 -0.116 -3.746 12.571
87 1HG GLN 14 HG2 GLN 14 -1.726 -2.934 13.961
88 2HG GLN 14 HG1 GLN 14 -2.826 -3.422 12.672
89 1HE2 GLN 14 HE21 GLN 14 -1.335 -4.652 15.707
90 2HE2 GLN 14 HE22 GLN 14 -2.605 -5.715 16.078
91 H CYS 15 HN CYS 15 0.554 -3.908 9.910
92 HA CYS 15 HA CYS 15 -0.152 -1.275 9.341
93 1HB CYS 15 HB2 CYS 15 1.334 -3.425 7.847
94 2HB CYS 15 HB1 CYS 15 1.169 -1.813 7.152
95 H LEU 16 HN LEU 16 -1.274 -4.219 7.700
96 HA LEU 16 HA LEU 16 -3.017 -2.500 5.979
97 1HB LEU 16 HB2 LEU 16 -1.769 -5.234 5.705
98 2HB LEU 16 HB1 LEU 16 -3.077 -4.711 4.640
99 HG LEU 16 HG LEU 16 -1.660 -2.594 4.236
100 1HD1 LEU 16 HD11 LEU 16 0.217 -2.430 5.467
101 2HD1 LEU 16 HD12 LEU 16 0.873 -3.767 4.522
102 3HD1 LEU 16 HD13 LEU 16 0.047 -4.086 6.048
103 1HD2 LEU 16 HD21 LEU 16 -0.544 -5.244 3.273
104 2HD2 LEU 16 HD22 LEU 16 -0.401 -3.685 2.461
105 3HD2 LEU 16 HD23 LEU 16 -1.977 -4.464 2.605
106 H SER 17 HN SER 17 -3.116 -4.711 8.635
107 HA SER 17 HA SER 17 -5.794 -5.765 8.076
108 1HB SER 17 HB2 SER 17 -3.742 -6.589 9.585
109 2HB SER 17 HB1 SER 17 -4.625 -5.703 10.822
110 HG SER 17 HG SER 17 -6.002 -7.280 10.854
111 H ALA 18 HN ALA 18 -4.594 -2.788 9.324
112 HA ALA 18 HA ALA 18 -7.366 -2.077 10.187
113 1HB ALA 18 HB1 ALA 18 -6.520 -2.480 12.295
114 2HB ALA 18 HB2 ALA 18 -5.931 -0.831 12.094
115 3HB ALA 18 HB3 ALA 18 -4.855 -2.195 11.792
116 HA PRO 19 HA PRO 19 -5.123 1.130 7.670
117 1HB PRO 19 HB2 PRO 19 -6.842 1.148 5.541
118 2HB PRO 19 HB1 PRO 19 -5.418 0.095 5.650
119 1HG PRO 19 HG2 PRO 19 -8.277 -0.549 6.063
120 2HG PRO 19 HG1 PRO 19 -6.974 -1.548 5.412
121 1HD PRO 19 HD2 PRO 19 -7.984 -1.747 7.980
122 2HD PRO 19 HD1 PRO 19 -6.393 -2.339 7.458
123 HA PRO 20 HA PRO 20 -9.313 3.456 7.953
124 1HB PRO 20 HB2 PRO 20 -11.165 2.451 9.695
125 2HB PRO 20 HB1 PRO 20 -11.143 2.052 7.967
126 1HG PRO 20 HG2 PRO 20 -10.211 0.460 10.288
127 2HG PRO 20 HG1 PRO 20 -10.972 -0.071 8.783
128 1HD PRO 20 HD2 PRO 20 -8.286 -0.254 9.313
129 2HD PRO 20 HD1 PRO 20 -8.991 -0.213 7.686
130 H PHE 21 HN PHE 21 -7.520 1.986 10.479
131 HA PHE 21 HA PHE 21 -8.124 4.282 12.317
132 1HB PHE 21 HB2 PHE 21 -6.899 1.581 12.952
133 2HB PHE 21 HB1 PHE 21 -7.520 2.763 14.102
134 HD1 PHE 21 HD1 PHE 21 -8.387 -0.196 13.739
135 HD2 PHE 21 HD2 PHE 21 -9.947 3.520 12.255
136 HE1 PHE 21 HE1 PHE 21 -10.641 -1.213 13.569
137 HE2 PHE 21 HE2 PHE 21 -12.204 2.505 12.085
138 HZ PHE 21 HZ PHE 21 -12.550 0.138 12.744
139 H VAL 22 HN VAL 22 -6.023 3.693 9.995
140 HA VAL 22 HA VAL 22 -3.747 4.908 11.491
141 HB VAL 22 HB VAL 22 -2.236 3.232 10.645
142 1HG1 VAL 22 HG11 VAL 22 -3.113 1.222 11.691
143 2HG1 VAL 22 HG12 VAL 22 -4.765 1.818 11.529
144 3HG1 VAL 22 HG13 VAL 22 -3.644 2.619 12.627
145 1HG2 VAL 22 HG21 VAL 22 -3.664 1.291 9.346
146 2HG2 VAL 22 HG22 VAL 22 -2.746 2.554 8.527
147 3HG2 VAL 22 HG23 VAL 22 -4.480 2.751 8.783
148 H GLN 23 HN GLN 23 -2.019 5.637 9.852
149 HA GLN 23 HA GLN 23 -3.311 6.500 7.283
150 1HB GLN 23 HB2 GLN 23 -3.234 8.341 8.853
151 2HB GLN 23 HB1 GLN 23 -1.553 7.992 9.252
152 1HG GLN 23 HG2 GLN 23 -1.180 9.662 7.721
153 2HG GLN 23 HG1 GLN 23 -1.290 8.313 6.594
154 1HE2 GLN 23 HE21 GLN 23 -3.746 7.830 5.946
155 2HE2 GLN 23 HE22 GLN 23 -4.674 9.202 5.581
156 H CYS 24 HN CYS 24 -0.504 5.193 8.889
157 HA CYS 24 HA CYS 24 1.374 5.707 6.731
158 1HB CYS 24 HB2 CYS 24 2.868 4.842 8.242
159 2HB CYS 24 HB1 CYS 24 1.536 5.086 9.362
160 H GLY 25 HN GLY 25 2.497 3.760 5.680
161 1HA GLY 25 HA2 GLY 25 0.740 1.454 5.122
162 2HA GLY 25 HA1 GLY 25 1.106 2.505 3.750
163 H TRP 26 HN TRP 26 2.103 0.124 3.237
164 HA TRP 26 HA TRP 26 4.780 -0.171 4.472
165 1HB TRP 26 HB2 TRP 26 3.006 -1.983 3.745
166 2HB TRP 26 HB1 TRP 26 3.724 -1.770 2.151
167 HD1 TRP 26 HD1 TRP 26 5.951 -2.969 1.695
168 HE1 TRP 26 HE1 TRP 26 7.635 -4.285 3.139
169 HE3 TRP 26 HE3 TRP 26 4.005 -2.098 6.328
170 HZ2 TRP 26 HZ2 TRP 26 8.106 -4.875 5.894
171 HZ3 TRP 26 HZ3 TRP 26 5.084 -3.050 8.349
172 HH2 TRP 26 HH2 TRP 26 7.128 -4.442 8.137
173 H CYS 27 HN CYS 27 6.719 0.388 3.395
174 HA CYS 27 HA CYS 27 6.422 1.417 0.591
175 1HB CYS 27 HB2 CYS 27 6.427 3.058 2.673
176 2HB CYS 27 HB1 CYS 27 8.173 2.820 2.571
177 H HIS 28 HN HIS 28 7.601 -0.234 -0.383
178 HA HIS 28 HA HIS 28 9.486 -1.545 -0.963
179 1HB HIS 28 HB2 HIS 28 9.814 1.094 -1.317
180 2HB HIS 28 HB1 HIS 28 11.147 0.806 -0.200
181 HD1 HIS 28 HD1 HIS 28 9.768 -0.971 -3.296
182 HD2 HIS 28 HD2 HIS 28 13.414 0.116 -1.591
183 HE1 HIS 28 HE1 HIS 28 11.569 -1.755 -4.895
184 H ASP 29 HN ASP 29 8.875 -1.364 2.148
185 HA ASP 29 HA ASP 29 10.899 -3.124 3.014
186 1HB ASP 29 HB2 ASP 29 12.181 -1.298 4.411
187 2HB ASP 29 HB1 ASP 29 12.616 -1.588 2.727
188 H LYS 30 HN LYS 30 10.511 -0.317 5.067
189 HA LYS 30 HA LYS 30 8.989 -1.978 6.976
190 1HB LYS 30 HB2 LYS 30 9.780 -0.444 8.572
191 2HB LYS 30 HB1 LYS 30 11.078 -0.480 7.381
192 1HG LYS 30 HG2 LYS 30 9.801 1.503 6.271
193 2HG LYS 30 HG1 LYS 30 9.002 1.650 7.837
194 1HD LYS 30 HD2 LYS 30 11.935 1.340 7.978
195 2HD LYS 30 HD1 LYS 30 11.387 2.838 7.226
196 1HE LYS 30 HE2 LYS 30 11.475 3.394 9.526
197 2HE LYS 30 HE1 LYS 30 9.765 2.980 9.288
198 1HZ LYS 30 HZ1 LYS 30 11.778 1.583 10.784
199 2HZ LYS 30 HZ2 LYS 30 10.975 0.571 9.681
200 3HZ LYS 30 HZ3 LYS 30 10.091 1.434 10.848
201 H CYS 31 HN CYS 31 7.358 -0.510 8.330
202 HA CYS 31 HA CYS 31 5.206 0.216 6.473
203 1HB CYS 31 HB2 CYS 31 5.291 -1.045 8.819
204 2HB CYS 31 HB1 CYS 31 5.091 0.594 9.437
205 H VAL 32 HN VAL 32 5.457 2.248 5.555
206 HA VAL 32 HA VAL 32 5.492 4.567 7.412
207 HB VAL 32 HB VAL 32 7.389 5.553 6.331
208 1HG1 VAL 32 HG11 VAL 32 7.987 2.592 6.588
209 2HG1 VAL 32 HG12 VAL 32 7.878 3.707 7.951
210 3HG1 VAL 32 HG13 VAL 32 9.143 3.917 6.741
211 1HG2 VAL 32 HG21 VAL 32 8.433 4.595 4.340
212 2HG2 VAL 32 HG22 VAL 32 6.720 4.866 4.023
213 3HG2 VAL 32 HG23 VAL 32 7.305 3.240 4.371
214 H ARG 33 HN ARG 33 5.146 6.650 5.965
215 HA ARG 33 HA ARG 33 3.213 5.912 3.793
216 1HB ARG 33 HB2 ARG 33 2.631 7.088 6.130
217 2HB ARG 33 HB1 ARG 33 3.080 8.527 5.216
218 1HG ARG 33 HG2 ARG 33 1.517 7.216 3.397
219 2HG ARG 33 HG1 ARG 33 0.733 6.768 4.912
220 1HD ARG 33 HD2 ARG 33 0.374 9.064 5.515
221 2HD ARG 33 HD1 ARG 33 1.433 9.637 4.211
222 HE ARG 33 HE ARG 33 -1.306 8.599 3.873
223 1HH1 ARG 33 HH21 ARG 33 0.419 7.209 1.870
224 2HH1 ARG 33 HH22 ARG 33 0.388 8.308 0.533
225 1HH2 ARG 33 HH11 ARG 33 -0.786 10.976 2.407
226 2HH2 ARG 33 HH12 ARG 33 -0.293 10.439 0.836
227 H SER 34 HN SER 34 2.908 7.812 2.225
228 HA SER 34 HA SER 34 5.069 8.311 0.617
229 1HB SER 34 HB2 SER 34 2.545 9.704 1.292
230 2HB SER 34 HB1 SER 34 3.727 10.670 0.415
231 HG SER 34 HG SER 34 2.143 9.212 -0.769
232 H GLU 35 HN GLU 35 4.246 10.181 3.540
233 HA GLU 35 HA GLU 35 6.202 12.240 3.207
234 1HB GLU 35 HB2 GLU 35 4.146 11.867 4.828
235 2HB GLU 35 HB1 GLU 35 5.377 11.185 5.893
236 1HG GLU 35 HG2 GLU 35 6.717 13.350 5.367
237 2HG GLU 35 HG1 GLU 35 5.169 13.992 4.814
238 H GLU 36 HN GLU 36 6.397 9.037 4.770
239 HA GLU 36 HA GLU 36 9.238 9.546 5.489
240 1HB GLU 36 HB2 GLU 36 7.015 7.825 6.341
241 2HB GLU 36 HB1 GLU 36 8.560 6.979 6.260
242 1HG GLU 36 HG2 GLU 36 8.668 9.665 7.491
243 2HG GLU 36 HG1 GLU 36 7.763 8.458 8.403
244 H CYS 37 HN CYS 37 7.522 8.325 2.857
245 HA CYS 37 HA CYS 37 9.155 6.040 2.156
246 1HB CYS 37 HB2 CYS 37 7.219 7.891 0.778
247 2HB CYS 37 HB1 CYS 37 8.100 6.681 -0.155
248 H LEU 38 HN LEU 38 11.338 6.309 1.820
249 HA LEU 38 HA LEU 38 12.739 8.659 1.211
250 1HB LEU 38 HB2 LEU 38 13.178 5.846 1.370
251 2HB LEU 38 HB1 LEU 38 13.939 6.414 -0.117
252 HG LEU 38 HG LEU 38 15.490 6.567 1.809
253 1HD1 LEU 38 HD11 LEU 38 14.511 9.010 0.375
254 2HD1 LEU 38 HD12 LEU 38 16.054 8.172 0.224
255 3HD1 LEU 38 HD13 LEU 38 15.742 9.198 1.624
256 1HD2 LEU 38 HD21 LEU 38 14.970 7.673 3.769
257 2HD2 LEU 38 HD22 LEU 38 13.347 7.155 3.312
258 3HD2 LEU 38 HD23 LEU 38 13.878 8.801 2.964
259 H SER 39 HN SER 39 11.677 6.170 -1.149
260 HA SER 39 HA SER 39 12.392 7.774 -3.451
261 1HB SER 39 HB2 SER 39 10.311 5.642 -3.594
262 2HB SER 39 HB1 SER 39 11.744 5.876 -4.591
263 HG SER 39 HG SER 39 12.554 4.372 -3.365
264 H GLY 40 HN GLY 40 9.801 7.212 -4.853
265 1HA GLY 40 HA2 GLY 40 8.122 9.332 -3.571
266 2HA GLY 40 HA1 GLY 40 8.412 9.306 -5.311
267 H THR 41 HN THR 41 7.933 6.371 -3.445
268 HA THR 41 HA THR 41 5.212 6.098 -4.671
269 HB THR 41 HB THR 41 6.876 4.872 -5.975
270 HG1 THR 41 HG1 THR 41 5.809 2.794 -4.492
271 1HG2 THR 41 HG21 THR 41 7.771 2.844 -4.274
272 2HG2 THR 41 HG22 THR 41 7.935 4.319 -3.323
273 3HG2 THR 41 HG23 THR 41 8.729 4.189 -4.893
274 H TRP 42 HN TRP 42 3.783 4.679 -3.478
275 HA TRP 42 HA TRP 42 4.654 3.818 -0.762
276 1HB TRP 42 HB2 TRP 42 3.866 6.123 -0.538
277 2HB TRP 42 HB1 TRP 42 2.402 5.741 -1.441
278 HD1 TRP 42 HD1 TRP 42 4.175 4.574 1.798
279 HE1 TRP 42 HE1 TRP 42 2.362 4.010 3.540
280 HE3 TRP 42 HE3 TRP 42 -0.016 5.360 -1.010
281 HZ2 TRP 42 HZ2 TRP 42 -0.492 3.898 3.715
282 HZ3 TRP 42 HZ3 TRP 42 -2.267 5.017 -0.033
283 HH2 TRP 42 HH2 TRP 42 -2.510 4.288 2.324
284 H THR 43 HN THR 43 3.505 1.932 -0.114
285 HA THR 43 HA THR 43 1.199 1.136 -1.867
286 HB THR 43 HB THR 43 3.258 0.023 -2.580
287 HG1 THR 43 HG1 THR 43 2.201 -1.772 -2.749
288 1HG2 THR 43 HG21 THR 43 4.346 -1.554 -0.881
289 2HG2 THR 43 HG22 THR 43 3.450 -0.669 0.354
290 3HG2 THR 43 HG23 THR 43 4.638 0.169 -0.645
291 H GLN 44 HN GLN 44 -0.285 -0.384 -0.850
292 HA GLN 44 HA GLN 44 -0.012 -0.688 2.109
293 1HB GLN 44 HB2 GLN 44 -2.464 0.005 2.218
294 2HB GLN 44 HB1 GLN 44 -1.340 1.297 1.799
295 1HG GLN 44 HG2 GLN 44 -3.043 1.555 0.204
296 2HG GLN 44 HG1 GLN 44 -1.837 0.610 -0.667
297 1HE2 GLN 44 HE21 GLN 44 -4.366 -0.302 1.749
298 2HE2 GLN 44 HE22 GLN 44 -5.056 -1.514 0.780
299 H GLN 45 HN GLN 45 0.313 -2.602 -0.081
300 HA GLN 45 HA GLN 45 -1.686 -4.606 0.798
301 1HB GLN 45 HB2 GLN 45 -2.753 -3.502 -1.092
302 2HB GLN 45 HB1 GLN 45 -1.287 -3.669 -2.060
303 1HG GLN 45 HG2 GLN 45 -1.490 -6.099 -2.021
304 2HG GLN 45 HG1 GLN 45 -2.884 -5.993 -0.948
305 1HE2 GLN 45 HE21 GLN 45 -4.459 -6.857 -2.411
306 2HE2 GLN 45 HE22 GLN 45 -4.892 -6.082 -3.858
307 H ILE 46 HN ILE 46 -0.176 -6.098 1.532
308 HA ILE 46 HA ILE 46 1.696 -7.228 -0.481
309 HB ILE 46 HB ILE 46 2.990 -5.486 0.577
310 1HG1 ILE 46 HG12 ILE 46 4.789 -6.771 1.514
311 2HG1 ILE 46 HG11 ILE 46 3.689 -8.044 2.041
312 1HG2 ILE 46 HG21 ILE 46 2.960 -4.991 2.845
313 2HG2 ILE 46 HG22 ILE 46 2.542 -6.641 3.305
314 3HG2 ILE 46 HG23 ILE 46 1.310 -5.576 2.630
315 1HD1 ILE 46 HD11 ILE 46 3.601 -9.000 -0.023
316 2HD1 ILE 46 HD12 ILE 46 5.111 -8.127 -0.289
317 3HD1 ILE 46 HD13 ILE 46 3.586 -7.441 -0.848
318 H CYS 47 HN CYS 47 0.568 -7.395 2.920
319 HA CYS 47 HA CYS 47 0.606 -10.385 2.647
320 1HB CYS 47 HB2 CYS 47 1.190 -10.325 5.111
321 2HB CYS 47 HB1 CYS 47 2.429 -9.647 4.055
322 H LEU 48 HN LEU 48 -1.251 -11.432 3.361
323 HA LEU 48 HA LEU 48 -3.435 -9.698 4.470
324 1HB LEU 48 HB2 LEU 48 -3.283 -11.938 2.479
325 2HB LEU 48 HB1 LEU 48 -4.776 -11.726 3.395
326 HG LEU 48 HG LEU 48 -3.568 -9.282 2.192
327 1HD1 LEU 48 HD11 LEU 48 -4.874 -11.516 0.623
328 2HD1 LEU 48 HD12 LEU 48 -3.334 -10.722 0.298
329 3HD1 LEU 48 HD13 LEU 48 -4.845 -9.849 0.048
330 1HD2 LEU 48 HD21 LEU 48 -6.163 -10.306 3.135
331 2HD2 LEU 48 HD22 LEU 48 -6.266 -9.385 1.635
332 3HD2 LEU 48 HD23 LEU 48 -5.564 -8.648 3.075
Start of MODEL 19
1 1H GLY 1 HT1 GLY 1 -0.709 9.951 14.998
2 2H GLY 1 HT2 GLY 1 -1.699 9.926 13.618
3 3H GLY 1 HT3 GLY 1 -1.599 8.558 14.620
4 1HA GLY 1 HA2 GLY 1 -2.392 10.379 16.395
5 2HA GLY 1 HA1 GLY 1 -3.169 10.974 14.928
6 H SER 2 HN SER 2 -5.280 10.360 15.495
7 HA SER 2 HA SER 2 -7.114 8.888 15.691
8 1HB SER 2 HB2 SER 2 -4.994 7.380 14.182
9 2HB SER 2 HB1 SER 2 -6.502 6.573 14.600
10 HG SER 2 HG SER 2 -6.616 9.134 13.480
11 H ALA 3 HN ALA 3 -5.029 6.105 15.947
12 HA ALA 3 HA ALA 3 -5.471 6.055 18.916
13 1HB ALA 3 HB1 ALA 3 -6.731 4.211 18.574
14 2HB ALA 3 HB2 ALA 3 -5.373 3.425 17.768
15 3HB ALA 3 HB3 ALA 3 -6.510 4.398 16.835
16 H MET 4 HN MET 4 -3.832 3.796 16.709
17 HA MET 4 HA MET 4 -1.262 4.382 18.146
18 1HB MET 4 HB2 MET 4 -0.928 1.825 17.550
19 2HB MET 4 HB1 MET 4 -1.891 2.282 18.954
20 1HG MET 4 HG2 MET 4 -3.080 0.588 17.636
21 2HG MET 4 HG1 MET 4 -3.949 2.121 17.575
22 1HE MET 4 HE1 MET 4 -4.702 0.212 14.659
23 2HE MET 4 HE2 MET 4 -5.077 1.922 14.463
24 3HE MET 4 HE3 MET 4 -5.211 1.174 16.053
25 H GLY 5 HN GLY 5 -2.855 4.432 15.190
26 1HA GLY 5 HA2 GLY 5 -2.101 4.663 12.981
27 2HA GLY 5 HA1 GLY 5 -0.568 5.176 13.686
28 H CYS 6 HN CYS 6 -0.623 3.635 11.359
29 HA CYS 6 HA CYS 6 -0.119 0.832 12.119
30 1HB CYS 6 HB2 CYS 6 0.364 0.675 9.605
31 2HB CYS 6 HB1 CYS 6 -1.272 1.143 10.054
32 H ARG 7 HN ARG 7 1.681 3.736 11.812
33 HA ARG 7 HA ARG 7 4.227 2.741 10.971
34 1HB ARG 7 HB2 ARG 7 3.274 5.006 12.739
35 2HB ARG 7 HB1 ARG 7 4.986 4.771 12.385
36 1HG ARG 7 HG2 ARG 7 3.755 4.556 9.893
37 2HG ARG 7 HG1 ARG 7 2.884 5.870 10.685
38 1HD ARG 7 HD2 ARG 7 5.773 6.048 11.133
39 2HD ARG 7 HD1 ARG 7 5.346 6.118 9.413
40 HE ARG 7 HE ARG 7 4.847 8.221 11.253
41 1HH1 ARG 7 HH21 ARG 7 4.460 8.199 8.204
42 2HH1 ARG 7 HH22 ARG 7 2.776 8.589 8.090
43 1HH2 ARG 7 HH11 ARG 7 2.122 7.898 11.427
44 2HH2 ARG 7 HH12 ARG 7 1.451 8.418 9.916
45 H HIS 8 HN HIS 8 2.462 2.497 13.974
46 HA HIS 8 HA HIS 8 4.756 1.695 15.607
47 1HB HIS 8 HB2 HIS 8 3.060 2.703 16.841
48 2HB HIS 8 HB1 HIS 8 1.784 2.000 15.850
49 HD1 HIS 8 HD1 HIS 8 4.324 0.937 18.486
50 HD2 HIS 8 HD2 HIS 8 0.651 -0.288 16.939
51 HE1 HIS 8 HE1 HIS 8 3.549 -0.997 19.925
52 H PHE 9 HN PHE 9 2.240 0.119 13.702
53 HA PHE 9 HA PHE 9 2.288 -2.513 14.624
54 1HB PHE 9 HB2 PHE 9 2.269 -1.422 11.790
55 2HB PHE 9 HB1 PHE 9 1.773 -3.055 12.231
56 HD1 PHE 9 HD1 PHE 9 -0.279 -1.740 10.899
57 HD2 PHE 9 HD2 PHE 9 0.889 -1.183 14.996
58 HE1 PHE 9 HE1 PHE 9 -2.554 -0.917 11.437
59 HE2 PHE 9 HE2 PHE 9 -1.383 -0.362 15.532
60 HZ PHE 9 HZ PHE 9 -3.107 -0.224 13.753
61 H GLN 10 HN GLN 10 3.736 -4.233 14.442
62 HA GLN 10 HA GLN 10 6.526 -3.599 13.828
63 1HB GLN 10 HB2 GLN 10 4.966 -5.539 15.270
64 2HB GLN 10 HB1 GLN 10 6.091 -6.384 14.205
65 1HG GLN 10 HG2 GLN 10 7.774 -5.918 15.619
66 2HG GLN 10 HG1 GLN 10 7.493 -4.194 15.376
67 1HE2 GLN 10 HE21 GLN 10 8.189 -5.631 17.932
68 2HE2 GLN 10 HE22 GLN 10 6.938 -5.253 19.014
69 H SER 11 HN SER 11 4.158 -5.961 12.512
70 HA SER 11 HA SER 11 5.894 -6.273 10.108
71 1HB SER 11 HB2 SER 11 3.498 -7.804 11.166
72 2HB SER 11 HB1 SER 11 4.429 -8.256 9.741
73 HG SER 11 HG SER 11 5.031 -9.269 11.808
74 H CYS 12 HN CYS 12 4.129 -6.926 8.163
75 HA CYS 12 HA CYS 12 2.773 -4.358 7.633
76 1HB CYS 12 HB2 CYS 12 3.400 -4.878 5.521
77 2HB CYS 12 HB1 CYS 12 4.203 -6.295 6.180
78 H SER 13 HN SER 13 1.960 -7.531 8.727
79 HA SER 13 HA SER 13 -0.632 -7.989 7.789
80 1HB SER 13 HB2 SER 13 0.700 -8.363 10.477
81 2HB SER 13 HB1 SER 13 -0.930 -8.953 10.168
82 HG SER 13 HG SER 13 1.460 -9.964 9.390
83 H GLN 14 HN GLN 14 0.153 -6.197 10.794
84 HA GLN 14 HA GLN 14 -2.498 -5.172 11.190
85 1HB GLN 14 HB2 GLN 14 -0.429 -5.420 12.751
86 2HB GLN 14 HB1 GLN 14 0.054 -3.852 12.101
87 1HG GLN 14 HG2 GLN 14 -1.226 -3.051 13.814
88 2HG GLN 14 HG1 GLN 14 -2.549 -3.346 12.686
89 1HE2 GLN 14 HE21 GLN 14 -4.230 -4.348 13.797
90 2HE2 GLN 14 HE22 GLN 14 -4.040 -5.587 14.942
91 H CYS 15 HN CYS 15 0.359 -3.886 9.516
92 HA CYS 15 HA CYS 15 -0.347 -1.222 9.095
93 1HB CYS 15 HB2 CYS 15 1.013 -3.324 7.413
94 2HB CYS 15 HB1 CYS 15 0.860 -1.665 6.834
95 H LEU 16 HN LEU 16 -1.494 -4.068 7.263
96 HA LEU 16 HA LEU 16 -3.418 -2.271 5.840
97 1HB LEU 16 HB2 LEU 16 -2.122 -4.931 5.221
98 2HB LEU 16 HB1 LEU 16 -3.496 -4.329 4.290
99 HG LEU 16 HG LEU 16 -2.037 -2.123 4.163
100 1HD1 LEU 16 HD11 LEU 16 -0.286 -3.118 5.689
101 2HD1 LEU 16 HD12 LEU 16 0.340 -2.535 4.148
102 3HD1 LEU 16 HD13 LEU 16 0.094 -4.262 4.403
103 1HD2 LEU 16 HD21 LEU 16 -2.091 -2.771 2.009
104 2HD2 LEU 16 HD22 LEU 16 -2.371 -4.442 2.505
105 3HD2 LEU 16 HD23 LEU 16 -0.725 -3.841 2.319
106 H SER 17 HN SER 17 -3.318 -4.312 8.460
107 HA SER 17 HA SER 17 -5.975 -5.564 7.982
108 1HB SER 17 HB2 SER 17 -3.746 -5.801 9.991
109 2HB SER 17 HB1 SER 17 -5.335 -6.455 10.368
110 HG SER 17 HG SER 17 -4.079 -7.010 7.907
111 H ALA 18 HN ALA 18 -4.692 -2.695 9.203
112 HA ALA 18 HA ALA 18 -7.248 -2.060 10.595
113 1HB ALA 18 HB1 ALA 18 -5.149 -0.880 12.080
114 2HB ALA 18 HB2 ALA 18 -4.647 -2.543 11.780
115 3HB ALA 18 HB3 ALA 18 -6.180 -2.216 12.588
116 HA PRO 19 HA PRO 19 -5.357 1.181 7.796
117 1HB PRO 19 HB2 PRO 19 -7.313 1.193 5.884
118 2HB PRO 19 HB1 PRO 19 -5.873 0.160 5.817
119 1HG PRO 19 HG2 PRO 19 -8.655 -0.523 6.567
120 2HG PRO 19 HG1 PRO 19 -7.432 -1.496 5.743
121 1HD PRO 19 HD2 PRO 19 -8.108 -1.754 8.409
122 2HD PRO 19 HD1 PRO 19 -6.577 -2.296 7.691
123 HA PRO 20 HA PRO 20 -9.490 3.463 8.613
124 1HB PRO 20 HB2 PRO 20 -11.124 2.416 10.537
125 2HB PRO 20 HB1 PRO 20 -11.295 2.034 8.812
126 1HG PRO 20 HG2 PRO 20 -10.090 0.428 10.993
127 2HG PRO 20 HG1 PRO 20 -11.016 -0.097 9.580
128 1HD PRO 20 HD2 PRO 20 -8.285 -0.252 9.805
129 2HD PRO 20 HD1 PRO 20 -9.167 -0.215 8.267
130 H PHE 21 HN PHE 21 -7.449 1.908 10.908
131 HA PHE 21 HA PHE 21 -7.794 4.185 12.832
132 1HB PHE 21 HB2 PHE 21 -6.556 1.469 13.339
133 2HB PHE 21 HB1 PHE 21 -7.131 2.631 14.535
134 HD1 PHE 21 HD1 PHE 21 -7.921 -0.425 13.453
135 HD2 PHE 21 HD2 PHE 21 -9.720 3.473 13.548
136 HE1 PHE 21 HE1 PHE 21 -10.172 -1.463 13.376
137 HE2 PHE 21 HE2 PHE 21 -11.971 2.436 13.472
138 HZ PHE 21 HZ PHE 21 -12.197 -0.032 13.385
139 H VAL 22 HN VAL 22 -5.957 3.726 10.309
140 HA VAL 22 HA VAL 22 -3.495 4.725 11.669
141 HB VAL 22 HB VAL 22 -2.146 3.109 10.463
142 1HG1 VAL 22 HG11 VAL 22 -3.033 0.997 11.413
143 2HG1 VAL 22 HG12 VAL 22 -4.572 1.799 11.720
144 3HG1 VAL 22 HG13 VAL 22 -3.119 2.323 12.571
145 1HG2 VAL 22 HG21 VAL 22 -4.767 2.201 9.238
146 2HG2 VAL 22 HG22 VAL 22 -3.202 1.424 8.992
147 3HG2 VAL 22 HG23 VAL 22 -3.479 3.058 8.390
148 H GLN 23 HN GLN 23 -1.848 5.006 9.523
149 HA GLN 23 HA GLN 23 -3.347 6.322 7.320
150 1HB GLN 23 HB2 GLN 23 -3.158 8.080 8.946
151 2HB GLN 23 HB1 GLN 23 -1.480 7.662 9.295
152 1HG GLN 23 HG2 GLN 23 -1.162 9.465 7.865
153 2HG GLN 23 HG1 GLN 23 -1.171 8.148 6.695
154 1HE2 GLN 23 HE21 GLN 23 -2.601 8.440 4.985
155 2HE2 GLN 23 HE22 GLN 23 -3.986 9.421 5.027
156 H CYS 24 HN CYS 24 -0.181 5.450 8.728
157 HA CYS 24 HA CYS 24 1.350 5.880 6.347
158 1HB CYS 24 HB2 CYS 24 3.085 4.871 7.583
159 2HB CYS 24 HB1 CYS 24 2.029 5.512 8.837
160 H GLY 25 HN GLY 25 2.477 4.016 5.215
161 1HA GLY 25 HA2 GLY 25 0.709 1.658 4.798
162 2HA GLY 25 HA1 GLY 25 1.175 2.638 3.406
163 H TRP 26 HN TRP 26 2.049 0.253 2.995
164 HA TRP 26 HA TRP 26 4.648 -0.243 4.318
165 1HB TRP 26 HB2 TRP 26 2.717 -1.869 3.538
166 2HB TRP 26 HB1 TRP 26 3.502 -1.748 1.970
167 HD1 TRP 26 HD1 TRP 26 5.508 -3.291 1.582
168 HE1 TRP 26 HE1 TRP 26 6.968 -4.802 3.075
169 HE3 TRP 26 HE3 TRP 26 3.723 -1.976 6.173
170 HZ2 TRP 26 HZ2 TRP 26 7.328 -5.380 5.855
171 HZ3 TRP 26 HZ3 TRP 26 4.636 -3.020 8.229
172 HH2 TRP 26 HH2 TRP 26 6.436 -4.720 8.075
173 H CYS 27 HN CYS 27 6.606 0.348 3.372
174 HA CYS 27 HA CYS 27 6.527 1.255 0.512
175 1HB CYS 27 HB2 CYS 27 6.616 2.880 2.706
176 2HB CYS 27 HB1 CYS 27 8.335 2.651 2.394
177 H HIS 28 HN HIS 28 7.640 -0.530 -0.303
178 HA HIS 28 HA HIS 28 9.495 -1.868 -0.839
179 1HB HIS 28 HB2 HIS 28 10.224 0.826 -0.445
180 2HB HIS 28 HB1 HIS 28 11.508 -0.141 0.282
181 HD1 HIS 28 HD1 HIS 28 11.444 1.472 -2.590
182 HD2 HIS 28 HD2 HIS 28 11.369 -2.647 -1.960
183 HE1 HIS 28 HE1 HIS 28 12.285 0.406 -4.726
184 H ASP 29 HN ASP 29 8.711 -1.451 2.429
185 HA ASP 29 HA ASP 29 9.972 -3.811 3.290
186 1HB ASP 29 HB2 ASP 29 11.883 -2.583 4.628
187 2HB ASP 29 HB1 ASP 29 12.127 -2.989 2.932
188 H LYS 30 HN LYS 30 10.127 -0.604 4.906
189 HA LYS 30 HA LYS 30 8.738 -1.767 7.239
190 1HB LYS 30 HB2 LYS 30 10.834 -0.212 7.107
191 2HB LYS 30 HB1 LYS 30 9.651 1.082 6.918
192 1HG LYS 30 HG2 LYS 30 8.674 0.652 9.036
193 2HG LYS 30 HG1 LYS 30 9.451 -0.928 9.163
194 1HD LYS 30 HD2 LYS 30 10.907 0.264 10.486
195 2HD LYS 30 HD1 LYS 30 11.652 0.598 8.922
196 1HE LYS 30 HE2 LYS 30 11.425 2.779 9.684
197 2HE LYS 30 HE1 LYS 30 9.822 2.583 8.946
198 1HZ LYS 30 HZ1 LYS 30 10.568 2.155 11.787
199 2HZ LYS 30 HZ2 LYS 30 9.094 1.629 11.124
200 3HZ LYS 30 HZ3 LYS 30 9.466 3.286 11.169
201 H CYS 31 HN CYS 31 7.121 -0.178 8.337
202 HA CYS 31 HA CYS 31 4.992 0.411 6.362
203 1HB CYS 31 HB2 CYS 31 5.002 -0.854 8.731
204 2HB CYS 31 HB1 CYS 31 4.695 0.782 9.311
205 H VAL 32 HN VAL 32 5.349 2.433 5.464
206 HA VAL 32 HA VAL 32 5.288 4.770 7.302
207 HB VAL 32 HB VAL 32 7.252 5.724 6.264
208 1HG1 VAL 32 HG11 VAL 32 7.566 3.911 8.020
209 2HG1 VAL 32 HG12 VAL 32 8.951 4.176 6.961
210 3HG1 VAL 32 HG13 VAL 32 7.889 2.795 6.692
211 1HG2 VAL 32 HG21 VAL 32 8.428 4.548 4.429
212 2HG2 VAL 32 HG22 VAL 32 6.776 4.955 3.968
213 3HG2 VAL 32 HG23 VAL 32 7.179 3.303 4.435
214 H ARG 33 HN ARG 33 4.961 6.830 5.882
215 HA ARG 33 HA ARG 33 3.210 6.102 3.561
216 1HB ARG 33 HB2 ARG 33 2.425 7.279 5.796
217 2HB ARG 33 HB1 ARG 33 3.085 8.719 5.032
218 1HG ARG 33 HG2 ARG 33 1.569 7.367 3.048
219 2HG ARG 33 HG1 ARG 33 0.580 7.414 4.509
220 1HD ARG 33 HD2 ARG 33 1.277 9.917 4.653
221 2HD ARG 33 HD1 ARG 33 1.730 9.729 2.948
222 HE ARG 33 HE ARG 33 -1.020 9.308 4.037
223 1HH1 ARG 33 HH21 ARG 33 0.497 8.056 1.445
224 2HH1 ARG 33 HH22 ARG 33 -0.397 8.904 0.227
225 1HH2 ARG 33 HH11 ARG 33 -1.873 11.102 2.464
226 2HH2 ARG 33 HH12 ARG 33 -1.738 10.628 0.803
227 H SER 34 HN SER 34 3.084 8.032 1.948
228 HA SER 34 HA SER 34 5.438 8.392 0.546
229 1HB SER 34 HB2 SER 34 2.842 9.749 0.809
230 2HB SER 34 HB1 SER 34 4.113 10.779 0.157
231 HG SER 34 HG SER 34 4.270 9.520 -1.563
232 H GLU 35 HN GLU 35 4.311 10.368 3.282
233 HA GLU 35 HA GLU 35 6.308 12.415 3.099
234 1HB GLU 35 HB2 GLU 35 4.276 11.403 4.977
235 2HB GLU 35 HB1 GLU 35 5.634 12.212 5.762
236 1HG GLU 35 HG2 GLU 35 5.240 14.239 4.645
237 2HG GLU 35 HG1 GLU 35 4.302 13.461 3.370
238 H GLU 36 HN GLU 36 6.549 9.111 4.057
239 HA GLU 36 HA GLU 36 9.176 9.686 5.390
240 1HB GLU 36 HB2 GLU 36 6.865 7.956 5.990
241 2HB GLU 36 HB1 GLU 36 8.428 7.155 6.159
242 1HG GLU 36 HG2 GLU 36 9.098 9.356 7.435
243 2HG GLU 36 HG1 GLU 36 7.356 9.537 7.639
244 H CYS 37 HN CYS 37 7.642 8.211 2.696
245 HA CYS 37 HA CYS 37 9.516 6.055 2.221
246 1HB CYS 37 HB2 CYS 37 7.574 7.638 0.516
247 2HB CYS 37 HB1 CYS 37 8.497 6.274 -0.115
248 H LEU 38 HN LEU 38 11.474 6.110 1.105
249 HA LEU 38 HA LEU 38 13.064 8.410 0.949
250 1HB LEU 38 HB2 LEU 38 13.317 5.733 0.458
251 2HB LEU 38 HB1 LEU 38 13.446 6.380 -1.177
252 HG LEU 38 HG LEU 38 14.988 7.857 0.867
253 1HD1 LEU 38 HD11 LEU 38 16.780 5.870 0.327
254 2HD1 LEU 38 HD12 LEU 38 15.288 4.941 0.468
255 3HD1 LEU 38 HD13 LEU 38 15.825 5.955 1.807
256 1HD2 LEU 38 HD21 LEU 38 15.039 7.198 -1.986
257 2HD2 LEU 38 HD22 LEU 38 16.628 7.067 -1.234
258 3HD2 LEU 38 HD23 LEU 38 15.733 8.584 -1.145
259 H SER 39 HN SER 39 11.842 6.828 -2.020
260 HA SER 39 HA SER 39 11.907 9.411 -3.438
261 1HB SER 39 HB2 SER 39 12.374 6.790 -4.094
262 2HB SER 39 HB1 SER 39 10.741 7.012 -4.714
263 HG SER 39 HG SER 39 13.143 8.203 -5.474
264 H GLY 40 HN GLY 40 9.863 9.737 -4.960
265 1HA GLY 40 HA2 GLY 40 7.580 10.120 -3.199
266 2HA GLY 40 HA1 GLY 40 7.634 10.512 -4.918
267 H THR 41 HN THR 41 7.924 7.479 -3.025
268 HA THR 41 HA THR 41 5.708 6.353 -4.699
269 HB THR 41 HB THR 41 8.085 5.754 -5.424
270 HG1 THR 41 HG1 THR 41 6.509 3.594 -4.491
271 1HG2 THR 41 HG21 THR 41 7.990 4.229 -2.808
272 2HG2 THR 41 HG22 THR 41 9.042 5.601 -3.159
273 3HG2 THR 41 HG23 THR 41 9.248 4.082 -4.035
274 H TRP 42 HN TRP 42 4.345 4.938 -3.570
275 HA TRP 42 HA TRP 42 5.048 4.117 -0.802
276 1HB TRP 42 HB2 TRP 42 4.090 6.345 -0.577
277 2HB TRP 42 HB1 TRP 42 2.742 5.911 -1.627
278 HD1 TRP 42 HD1 TRP 42 4.207 5.070 1.829
279 HE1 TRP 42 HE1 TRP 42 2.295 4.224 3.330
280 HE3 TRP 42 HE3 TRP 42 0.415 4.935 -1.585
281 HZ2 TRP 42 HZ2 TRP 42 -0.495 3.562 3.103
282 HZ3 TRP 42 HZ3 TRP 42 -1.853 4.195 -0.923
283 HH2 TRP 42 HH2 TRP 42 -2.314 3.508 1.413
284 H THR 43 HN THR 43 4.067 2.100 -0.334
285 HA THR 43 HA THR 43 1.860 1.240 -2.171
286 HB THR 43 HB THR 43 4.113 0.399 -2.874
287 HG1 THR 43 HG1 THR 43 2.041 -0.813 -3.017
288 1HG2 THR 43 HG21 THR 43 4.004 -0.899 -0.141
289 2HG2 THR 43 HG22 THR 43 5.213 0.243 -0.729
290 3HG2 THR 43 HG23 THR 43 5.127 -1.380 -1.413
291 H GLN 44 HN GLN 44 0.926 -0.926 -1.276
292 HA GLN 44 HA GLN 44 0.987 -1.046 1.694
293 1HB GLN 44 HB2 GLN 44 -1.587 -1.021 1.552
294 2HB GLN 44 HB1 GLN 44 -0.770 0.518 1.284
295 1HG GLN 44 HG2 GLN 44 -1.702 0.665 -0.754
296 2HG GLN 44 HG1 GLN 44 -0.919 -0.844 -1.221
297 1HE2 GLN 44 HE21 GLN 44 -3.531 -0.200 1.179
298 2HE2 GLN 44 HE22 GLN 44 -4.637 -1.284 0.484
299 H GLN 45 HN GLN 45 2.132 -3.076 0.891
300 HA GLN 45 HA GLN 45 0.479 -5.127 -0.404
301 1HB GLN 45 HB2 GLN 45 3.158 -4.535 -0.200
302 2HB GLN 45 HB1 GLN 45 3.000 -5.878 0.933
303 1HG GLN 45 HG2 GLN 45 1.478 -6.673 -1.264
304 2HG GLN 45 HG1 GLN 45 2.891 -5.899 -1.982
305 1HE2 GLN 45 HE21 GLN 45 1.828 -8.869 -0.943
306 2HE2 GLN 45 HE22 GLN 45 3.316 -9.578 -0.542
307 H ILE 46 HN ILE 46 -0.782 -6.565 0.688
308 HA ILE 46 HA ILE 46 -0.825 -6.524 3.642
309 HB ILE 46 HB ILE 46 -2.917 -6.412 2.423
310 1HG1 ILE 46 HG12 ILE 46 -4.079 -8.391 3.302
311 2HG1 ILE 46 HG11 ILE 46 -2.538 -9.224 3.503
312 1HG2 ILE 46 HG21 ILE 46 -2.777 -7.299 0.329
313 2HG2 ILE 46 HG22 ILE 46 -3.320 -8.780 1.117
314 3HG2 ILE 46 HG23 ILE 46 -1.601 -8.518 0.821
315 1HD1 ILE 46 HD11 ILE 46 -3.207 -8.297 5.650
316 2HD1 ILE 46 HD12 ILE 46 -3.429 -6.703 4.931
317 3HD1 ILE 46 HD13 ILE 46 -1.812 -7.396 5.056
318 H CYS 47 HN CYS 47 -0.107 -8.218 4.916
319 HA CYS 47 HA CYS 47 1.392 -10.396 3.566
320 1HB CYS 47 HB2 CYS 47 1.151 -9.413 6.427
321 2HB CYS 47 HB1 CYS 47 2.188 -10.753 5.935
322 H LEU 48 HN LEU 48 1.084 -12.646 4.372
323 HA LEU 48 HA LEU 48 -1.794 -13.185 4.957
324 1HB LEU 48 HB2 LEU 48 0.458 -14.507 3.518
325 2HB LEU 48 HB1 LEU 48 -0.727 -15.570 4.280
326 HG LEU 48 HG LEU 48 -2.503 -14.065 3.140
327 1HD1 LEU 48 HD11 LEU 48 -0.793 -12.315 2.522
328 2HD1 LEU 48 HD12 LEU 48 -1.777 -12.871 1.169
329 3HD1 LEU 48 HD13 LEU 48 -0.125 -13.461 1.360
330 1HD2 LEU 48 HD21 LEU 48 -1.466 -15.316 0.835
331 2HD2 LEU 48 HD22 LEU 48 -2.642 -15.987 1.965
332 3HD2 LEU 48 HD23 LEU 48 -0.921 -16.303 2.192
Start of MODEL 20
1 1H GLY 1 HT1 GLY 1 2.873 14.008 10.912
2 2H GLY 1 HT2 GLY 1 2.663 12.322 10.963
3 3H GLY 1 HT3 GLY 1 3.132 13.165 12.361
4 1HA GLY 1 HA2 GLY 1 0.855 14.437 11.744
5 2HA GLY 1 HA1 GLY 1 0.505 12.788 11.222
6 H SER 2 HN SER 2 -0.901 12.259 12.918
7 HA SER 2 HA SER 2 0.339 12.195 15.653
8 1HB SER 2 HB2 SER 2 -2.114 13.324 14.605
9 2HB SER 2 HB1 SER 2 -2.477 12.124 15.843
10 HG SER 2 HG SER 2 -1.998 13.728 17.131
11 H ALA 3 HN ALA 3 -2.261 10.662 13.705
12 HA ALA 3 HA ALA 3 -2.749 8.352 15.140
13 1HB ALA 3 HB1 ALA 3 -2.276 7.994 12.229
14 2HB ALA 3 HB2 ALA 3 -3.351 9.319 12.676
15 3HB ALA 3 HB3 ALA 3 -3.726 7.671 13.178
16 H MET 4 HN MET 4 -1.222 7.059 16.114
17 HA MET 4 HA MET 4 1.227 6.344 14.537
18 1HB MET 4 HB2 MET 4 2.121 5.885 16.892
19 2HB MET 4 HB1 MET 4 1.781 7.574 16.517
20 1HG MET 4 HG2 MET 4 0.072 7.690 18.011
21 2HG MET 4 HG1 MET 4 -0.521 6.081 17.597
22 1HE MET 4 HE1 MET 4 -0.336 4.182 19.864
23 2HE MET 4 HE2 MET 4 -1.221 5.681 19.594
24 3HE MET 4 HE3 MET 4 -0.356 5.437 21.109
25 H GLY 5 HN GLY 5 -0.912 4.819 13.852
26 1HA GLY 5 HA2 GLY 5 -0.798 2.380 15.562
27 2HA GLY 5 HA1 GLY 5 -2.053 2.720 14.368
28 H CYS 6 HN CYS 6 -0.888 3.189 12.075
29 HA CYS 6 HA CYS 6 0.096 0.704 11.118
30 1HB CYS 6 HB2 CYS 6 -0.962 2.438 9.749
31 2HB CYS 6 HB1 CYS 6 0.387 3.530 10.052
32 H ARG 7 HN ARG 7 1.891 3.728 11.814
33 HA ARG 7 HA ARG 7 4.495 2.580 11.314
34 1HB ARG 7 HB2 ARG 7 3.273 5.081 12.109
35 2HB ARG 7 HB1 ARG 7 4.683 4.755 13.117
36 1HG ARG 7 HG2 ARG 7 6.001 5.424 11.423
37 2HG ARG 7 HG1 ARG 7 5.421 4.052 10.477
38 1HD ARG 7 HD2 ARG 7 4.876 5.921 9.123
39 2HD ARG 7 HD1 ARG 7 3.355 5.593 9.978
40 HE ARG 7 HE ARG 7 4.878 7.298 11.641
41 1HH1 ARG 7 HH21 ARG 7 5.373 8.285 8.718
42 2HH1 ARG 7 HH22 ARG 7 4.195 9.552 8.633
43 1HH2 ARG 7 HH11 ARG 7 2.495 8.521 11.475
44 2HH2 ARG 7 HH12 ARG 7 2.563 9.684 10.193
45 H HIS 8 HN HIS 8 2.276 2.280 13.909
46 HA HIS 8 HA HIS 8 4.363 1.659 15.929
47 1HB HIS 8 HB2 HIS 8 2.580 2.940 16.788
48 2HB HIS 8 HB1 HIS 8 1.374 2.053 15.857
49 HD1 HIS 8 HD1 HIS 8 3.265 1.986 19.066
50 HD2 HIS 8 HD2 HIS 8 0.697 -0.533 16.961
51 HE1 HIS 8 HE1 HIS 8 2.559 0.168 20.683
52 H PHE 9 HN PHE 9 2.280 0.059 13.666
53 HA PHE 9 HA PHE 9 2.013 -2.481 14.998
54 1HB PHE 9 HB2 PHE 9 2.008 -1.661 12.076
55 2HB PHE 9 HB1 PHE 9 1.424 -3.208 12.680
56 HD1 PHE 9 HD1 PHE 9 0.482 -1.498 15.353
57 HD2 PHE 9 HD2 PHE 9 -0.353 -1.442 11.147
58 HE1 PHE 9 HE1 PHE 9 -1.728 -0.466 15.801
59 HE2 PHE 9 HE2 PHE 9 -2.558 -0.405 11.588
60 HZ PHE 9 HZ PHE 9 -3.246 0.088 13.921
61 H GLN 10 HN GLN 10 3.238 -4.423 14.593
62 HA GLN 10 HA GLN 10 6.094 -4.038 14.384
63 1HB GLN 10 HB2 GLN 10 4.393 -6.548 14.247
64 2HB GLN 10 HB1 GLN 10 6.110 -6.480 14.646
65 1HG GLN 10 HG2 GLN 10 4.193 -4.815 16.240
66 2HG GLN 10 HG1 GLN 10 4.294 -6.545 16.571
67 1HE2 GLN 10 HE21 GLN 10 6.325 -7.387 17.421
68 2HE2 GLN 10 HE22 GLN 10 7.525 -6.356 18.035
69 H SER 11 HN SER 11 4.261 -6.377 12.402
70 HA SER 11 HA SER 11 6.066 -5.760 10.122
71 1HB SER 11 HB2 SER 11 5.536 -8.081 11.100
72 2HB SER 11 HB1 SER 11 3.957 -7.913 10.341
73 HG SER 11 HG SER 11 6.151 -7.314 8.756
74 H CYS 12 HN CYS 12 3.991 -6.920 8.288
75 HA CYS 12 HA CYS 12 2.577 -4.377 7.726
76 1HB CYS 12 HB2 CYS 12 2.197 -5.492 5.534
77 2HB CYS 12 HB1 CYS 12 3.903 -5.487 5.982
78 H SER 13 HN SER 13 1.941 -7.393 9.189
79 HA SER 13 HA SER 13 -0.635 -8.131 8.419
80 1HB SER 13 HB2 SER 13 -0.507 -8.235 11.254
81 2HB SER 13 HB1 SER 13 -0.139 -9.529 10.120
82 HG SER 13 HG SER 13 1.520 -8.153 11.682
83 H GLN 14 HN GLN 14 0.051 -5.917 11.157
84 HA GLN 14 HA GLN 14 -2.715 -5.006 11.255
85 1HB GLN 14 HB2 GLN 14 -0.879 -5.278 13.088
86 2HB GLN 14 HB1 GLN 14 -0.352 -3.686 12.557
87 1HG GLN 14 HG2 GLN 14 -2.097 -2.663 13.563
88 2HG GLN 14 HG1 GLN 14 -3.249 -3.832 12.923
89 1HE2 GLN 14 HE21 GLN 14 -4.192 -5.146 14.491
90 2HE2 GLN 14 HE22 GLN 14 -3.508 -5.506 16.002
91 H CYS 15 HN CYS 15 0.312 -3.762 9.896
92 HA CYS 15 HA CYS 15 -0.415 -1.059 9.423
93 1HB CYS 15 HB2 CYS 15 1.461 -3.087 8.382
94 2HB CYS 15 HB1 CYS 15 1.127 -1.760 7.273
95 H LEU 16 HN LEU 16 -1.307 -4.012 7.712
96 HA LEU 16 HA LEU 16 -2.827 -2.383 5.707
97 1HB LEU 16 HB2 LEU 16 -1.539 -5.110 5.755
98 2HB LEU 16 HB1 LEU 16 -2.796 -4.745 4.572
99 HG LEU 16 HG LEU 16 -1.485 -2.750 3.850
100 1HD1 LEU 16 HD11 LEU 16 1.069 -3.172 4.695
101 2HD1 LEU 16 HD12 LEU 16 0.169 -3.648 6.136
102 3HD1 LEU 16 HD13 LEU 16 -0.036 -2.032 5.461
103 1HD2 LEU 16 HD21 LEU 16 0.597 -4.745 3.509
104 2HD2 LEU 16 HD22 LEU 16 -0.522 -4.095 2.311
105 3HD2 LEU 16 HD23 LEU 16 -0.999 -5.468 3.309
106 H SER 17 HN SER 17 -3.174 -4.389 8.463
107 HA SER 17 HA SER 17 -5.856 -5.394 7.730
108 1HB SER 17 HB2 SER 17 -3.979 -5.639 10.080
109 2HB SER 17 HB1 SER 17 -5.626 -6.253 10.166
110 HG SER 17 HG SER 17 -3.477 -7.059 8.540
111 H ALA 18 HN ALA 18 -4.516 -2.580 9.145
112 HA ALA 18 HA ALA 18 -7.234 -1.732 10.030
113 1HB ALA 18 HB1 ALA 18 -6.459 -2.275 12.129
114 2HB ALA 18 HB2 ALA 18 -5.700 -0.687 12.003
115 3HB ALA 18 HB3 ALA 18 -4.768 -2.142 11.647
116 HA PRO 19 HA PRO 19 -4.664 1.396 7.695
117 1HB PRO 19 HB2 PRO 19 -6.223 1.531 5.453
118 2HB PRO 19 HB1 PRO 19 -4.858 0.414 5.635
119 1HG PRO 19 HG2 PRO 19 -7.765 -0.108 5.839
120 2HG PRO 19 HG1 PRO 19 -6.466 -1.150 5.248
121 1HD PRO 19 HD2 PRO 19 -7.651 -1.368 7.736
122 2HD PRO 19 HD1 PRO 19 -6.053 -2.009 7.309
123 HA PRO 20 HA PRO 20 -8.781 3.874 7.750
124 1HB PRO 20 HB2 PRO 20 -10.763 2.913 9.371
125 2HB PRO 20 HB1 PRO 20 -10.661 2.533 7.643
126 1HG PRO 20 HG2 PRO 20 -9.900 0.885 9.987
127 2HG PRO 20 HG1 PRO 20 -10.618 0.396 8.444
128 1HD PRO 20 HD2 PRO 20 -7.977 0.098 9.082
129 2HD PRO 20 HD1 PRO 20 -8.593 0.208 7.424
130 H PHE 21 HN PHE 21 -7.631 2.053 10.524
131 HA PHE 21 HA PHE 21 -8.100 4.320 12.377
132 1HB PHE 21 HB2 PHE 21 -6.703 1.680 12.878
133 2HB PHE 21 HB1 PHE 21 -7.518 2.710 14.056
134 HD1 PHE 21 HD1 PHE 21 -7.901 -0.328 12.716
135 HD2 PHE 21 HD2 PHE 21 -10.035 3.399 12.804
136 HE1 PHE 21 HE1 PHE 21 -10.026 -1.535 12.299
137 HE2 PHE 21 HE2 PHE 21 -12.160 2.192 12.387
138 HZ PHE 21 HZ PHE 21 -12.157 -0.276 12.139
139 H VAL 22 HN VAL 22 -5.843 3.624 10.083
140 HA VAL 22 HA VAL 22 -3.705 5.110 11.552
141 HB VAL 22 HB VAL 22 -2.077 3.494 10.737
142 1HG1 VAL 22 HG11 VAL 22 -4.017 1.497 11.645
143 2HG1 VAL 22 HG12 VAL 22 -4.015 2.944 12.652
144 3HG1 VAL 22 HG13 VAL 22 -2.523 2.035 12.412
145 1HG2 VAL 22 HG21 VAL 22 -2.945 2.890 8.603
146 2HG2 VAL 22 HG22 VAL 22 -4.475 2.354 9.296
147 3HG2 VAL 22 HG23 VAL 22 -3.010 1.411 9.560
148 H GLN 23 HN GLN 23 -1.871 5.529 9.664
149 HA GLN 23 HA GLN 23 -3.262 6.174 7.109
150 1HB GLN 23 HB2 GLN 23 -3.160 8.425 7.440
151 2HB GLN 23 HB1 GLN 23 -3.010 7.996 9.141
152 1HG GLN 23 HG2 GLN 23 -0.480 7.922 8.757
153 2HG GLN 23 HG1 GLN 23 -0.794 8.689 7.199
154 1HE2 GLN 23 HE21 GLN 23 -2.326 9.241 10.420
155 2HE2 GLN 23 HE22 GLN 23 -1.967 10.900 10.469
156 H CYS 24 HN CYS 24 -0.614 4.776 8.538
157 HA CYS 24 HA CYS 24 1.323 5.684 6.479
158 1HB CYS 24 HB2 CYS 24 2.752 5.339 8.198
159 2HB CYS 24 HB1 CYS 24 1.399 4.826 9.192
160 H GLY 25 HN GLY 25 2.675 3.734 5.539
161 1HA GLY 25 HA2 GLY 25 1.005 1.353 4.976
162 2HA GLY 25 HA1 GLY 25 1.444 2.361 3.599
163 H TRP 26 HN TRP 26 2.436 0.001 3.211
164 HA TRP 26 HA TRP 26 5.039 -0.373 4.562
165 1HB TRP 26 HB2 TRP 26 3.296 -2.149 3.823
166 2HB TRP 26 HB1 TRP 26 3.919 -1.888 2.197
167 HD1 TRP 26 HD1 TRP 26 6.029 -3.208 1.559
168 HE1 TRP 26 HE1 TRP 26 7.773 -4.598 2.862
169 HE3 TRP 26 HE3 TRP 26 4.526 -2.241 6.310
170 HZ2 TRP 26 HZ2 TRP 26 8.433 -5.209 5.591
171 HZ3 TRP 26 HZ3 TRP 26 5.721 -3.233 8.253
172 HH2 TRP 26 HH2 TRP 26 7.659 -4.696 7.901
173 H CYS 27 HN CYS 27 7.005 0.215 3.639
174 HA CYS 27 HA CYS 27 6.964 1.118 0.781
175 1HB CYS 27 HB2 CYS 27 6.786 2.886 2.674
176 2HB CYS 27 HB1 CYS 27 8.485 2.522 2.973
177 H HIS 28 HN HIS 28 8.152 -0.629 0.009
178 HA HIS 28 HA HIS 28 10.080 -1.839 -0.549
179 1HB HIS 28 HB2 HIS 28 10.957 0.748 0.615
180 2HB HIS 28 HB1 HIS 28 12.198 -0.478 0.362
181 HD1 HIS 28 HD1 HIS 28 12.026 -1.631 -2.181
182 HD2 HIS 28 HD2 HIS 28 10.447 2.194 -1.676
183 HE1 HIS 28 HE1 HIS 28 11.849 -0.618 -4.495
184 H ASP 29 HN ASP 29 9.380 -1.404 2.857
185 HA ASP 29 HA ASP 29 10.372 -3.946 3.583
186 1HB ASP 29 HB2 ASP 29 12.514 -3.015 4.789
187 2HB ASP 29 HB1 ASP 29 12.583 -3.376 3.067
188 H LYS 30 HN LYS 30 10.016 -0.581 4.735
189 HA LYS 30 HA LYS 30 9.258 -1.709 7.414
190 1HB LYS 30 HB2 LYS 30 11.294 -0.136 7.013
191 2HB LYS 30 HB1 LYS 30 10.081 1.135 6.853
192 1HG LYS 30 HG2 LYS 30 9.469 -0.483 9.157
193 2HG LYS 30 HG1 LYS 30 11.143 0.068 9.252
194 1HD LYS 30 HD2 LYS 30 10.387 2.391 8.824
195 2HD LYS 30 HD1 LYS 30 8.717 1.825 8.793
196 1HE LYS 30 HE2 LYS 30 9.372 2.760 11.028
197 2HE LYS 30 HE1 LYS 30 8.916 1.047 11.125
198 1HZ LYS 30 HZ1 LYS 30 11.115 0.374 11.211
199 2HZ LYS 30 HZ2 LYS 30 11.145 1.782 12.161
200 3HZ LYS 30 HZ3 LYS 30 11.705 1.824 10.557
201 H CYS 31 HN CYS 31 7.546 -0.519 8.572
202 HA CYS 31 HA CYS 31 5.281 0.147 6.830
203 1HB CYS 31 HB2 CYS 31 5.894 -0.428 9.668
204 2HB CYS 31 HB1 CYS 31 4.560 0.697 9.428
205 H VAL 32 HN VAL 32 5.559 2.171 5.842
206 HA VAL 32 HA VAL 32 5.625 4.541 7.622
207 HB VAL 32 HB VAL 32 7.583 5.451 6.541
208 1HG1 VAL 32 HG11 VAL 32 7.938 3.699 8.316
209 2HG1 VAL 32 HG12 VAL 32 9.277 3.842 7.178
210 3HG1 VAL 32 HG13 VAL 32 8.132 2.509 7.030
211 1HG2 VAL 32 HG21 VAL 32 6.955 4.548 4.266
212 2HG2 VAL 32 HG22 VAL 32 7.594 2.986 4.774
213 3HG2 VAL 32 HG23 VAL 32 8.666 4.381 4.656
214 H ARG 33 HN ARG 33 5.438 6.590 6.127
215 HA ARG 33 HA ARG 33 3.647 5.935 3.809
216 1HB ARG 33 HB2 ARG 33 2.823 6.935 6.142
217 2HB ARG 33 HB1 ARG 33 3.366 8.447 5.416
218 1HG ARG 33 HG2 ARG 33 1.984 7.401 3.332
219 2HG ARG 33 HG1 ARG 33 1.079 6.707 4.677
220 1HD ARG 33 HD2 ARG 33 0.046 8.700 4.982
221 2HD ARG 33 HD1 ARG 33 1.621 9.451 5.308
222 HE ARG 33 HE ARG 33 1.562 10.311 3.114
223 1HH1 ARG 33 HH11 ARG 33 -1.435 9.666 3.098
224 2HH1 ARG 33 HH12 ARG 33 -1.570 8.779 1.616
225 1HH2 ARG 33 HH21 ARG 33 1.842 8.231 1.325
226 2HH2 ARG 33 HH22 ARG 33 0.285 7.967 0.611
227 H SER 34 HN SER 34 3.440 8.025 2.369
228 HA SER 34 HA SER 34 5.801 8.625 1.052
229 1HB SER 34 HB2 SER 34 3.511 10.542 1.597
230 2HB SER 34 HB1 SER 34 4.590 10.574 0.205
231 HG SER 34 HG SER 34 3.559 8.919 -0.640
232 H GLU 35 HN GLU 35 4.543 10.138 3.996
233 HA GLU 35 HA GLU 35 6.126 12.408 4.280
234 1HB GLU 35 HB2 GLU 35 4.354 11.274 5.804
235 2HB GLU 35 HB1 GLU 35 5.721 10.412 6.509
236 1HG GLU 35 HG2 GLU 35 6.441 13.167 6.311
237 2HG GLU 35 HG1 GLU 35 4.844 13.078 7.055
238 H GLU 36 HN GLU 36 7.065 9.047 5.094
239 HA GLU 36 HA GLU 36 9.835 9.907 5.670
240 1HB GLU 36 HB2 GLU 36 8.860 8.264 7.118
241 2HB GLU 36 HB1 GLU 36 8.295 7.299 5.753
242 1HG GLU 36 HG2 GLU 36 10.256 6.196 6.568
243 2HG GLU 36 HG1 GLU 36 10.748 7.037 5.097
244 H CYS 37 HN CYS 37 8.080 7.932 3.267
245 HA CYS 37 HA CYS 37 10.540 7.374 1.750
246 1HB CYS 37 HB2 CYS 37 7.649 6.668 1.714
247 2HB CYS 37 HB1 CYS 37 8.478 6.609 0.159
248 H LEU 38 HN LEU 38 11.374 8.817 0.298
249 HA LEU 38 HA LEU 38 9.650 11.048 -0.674
250 1HB LEU 38 HB2 LEU 38 12.384 10.665 0.151
251 2HB LEU 38 HB1 LEU 38 12.355 11.296 -1.496
252 HG LEU 38 HG LEU 38 12.343 13.165 0.068
253 1HD1 LEU 38 HD11 LEU 38 9.611 13.607 -0.510
254 2HD1 LEU 38 HD12 LEU 38 10.229 12.600 -1.820
255 3HD1 LEU 38 HD13 LEU 38 11.001 14.144 -1.454
256 1HD2 LEU 38 HD21 LEU 38 10.330 11.447 1.396
257 2HD2 LEU 38 HD22 LEU 38 9.954 13.171 1.384
258 3HD2 LEU 38 HD23 LEU 38 11.462 12.602 2.099
259 H SER 39 HN SER 39 10.580 8.010 -1.705
260 HA SER 39 HA SER 39 11.091 8.693 -4.526
261 1HB SER 39 HB2 SER 39 10.754 6.111 -2.968
262 2HB SER 39 HB1 SER 39 11.124 6.165 -4.690
263 HG SER 39 HG SER 39 12.874 7.708 -3.846
264 H GLY 40 HN GLY 40 8.411 9.290 -3.131
265 1HA GLY 40 HA2 GLY 40 6.108 9.002 -3.563
266 2HA GLY 40 HA1 GLY 40 6.643 8.965 -5.245
267 H THR 41 HN THR 41 7.761 6.560 -2.998
268 HA THR 41 HA THR 41 6.204 4.490 -4.493
269 HB THR 41 HB THR 41 8.779 4.465 -2.887
270 HG1 THR 41 HG1 THR 41 8.090 4.426 -5.610
271 1HG2 THR 41 HG21 THR 41 6.995 2.325 -3.388
272 2HG2 THR 41 HG22 THR 41 8.633 2.232 -2.742
273 3HG2 THR 41 HG23 THR 41 8.363 2.111 -4.481
274 H TRP 42 HN TRP 42 4.373 3.939 -3.326
275 HA TRP 42 HA TRP 42 4.733 3.298 -0.432
276 1HB TRP 42 HB2 TRP 42 3.879 5.648 -0.794
277 2HB TRP 42 HB1 TRP 42 2.460 4.950 -1.577
278 HD1 TRP 42 HD1 TRP 42 4.349 4.609 1.784
279 HE1 TRP 42 HE1 TRP 42 2.611 4.194 3.642
280 HE3 TRP 42 HE3 TRP 42 0.084 4.455 -1.022
281 HZ2 TRP 42 HZ2 TRP 42 -0.220 3.848 3.902
282 HZ3 TRP 42 HZ3 TRP 42 -2.117 4.082 0.056
283 HH2 TRP 42 HH2 TRP 42 -2.274 3.778 2.512
284 H THR 43 HN THR 43 4.089 1.198 -0.255
285 HA THR 43 HA THR 43 1.801 0.257 -1.954
286 HB THR 43 HB THR 43 3.872 -0.856 -2.498
287 HG1 THR 43 HG1 THR 43 3.393 -2.999 -1.637
288 1HG2 THR 43 HG21 THR 43 4.153 -1.182 0.496
289 2HG2 THR 43 HG22 THR 43 5.209 -0.269 -0.581
290 3HG2 THR 43 HG23 THR 43 5.163 -2.031 -0.673
291 H GLN 44 HN GLN 44 0.002 -0.463 -0.846
292 HA GLN 44 HA GLN 44 0.294 -0.944 2.103
293 1HB GLN 44 HB2 GLN 44 -2.091 0.004 2.139
294 2HB GLN 44 HB1 GLN 44 -0.801 1.155 1.785
295 1HG GLN 44 HG2 GLN 44 -1.537 1.506 -0.332
296 2HG GLN 44 HG1 GLN 44 -1.854 -0.207 -0.601
297 1HE2 GLN 44 HE21 GLN 44 -3.268 1.448 2.177
298 2HE2 GLN 44 HE22 GLN 44 -4.864 1.445 1.600
299 H GLN 45 HN GLN 45 0.381 -2.958 -0.039
300 HA GLN 45 HA GLN 45 -1.787 -4.696 0.950
301 1HB GLN 45 HB2 GLN 45 -2.319 -3.113 -1.198
302 2HB GLN 45 HB1 GLN 45 -1.637 -4.525 -2.009
303 1HG GLN 45 HG2 GLN 45 -3.441 -5.378 0.075
304 2HG GLN 45 HG1 GLN 45 -4.259 -4.238 -0.992
305 1HE2 GLN 45 HE21 GLN 45 -3.263 -4.771 -3.490
306 2HE2 GLN 45 HE22 GLN 45 -3.527 -6.391 -3.922
307 H ILE 46 HN ILE 46 -0.355 -6.314 1.570
308 HA ILE 46 HA ILE 46 1.135 -7.698 -0.596
309 HB ILE 46 HB ILE 46 2.439 -6.818 1.996
310 1HG1 ILE 46 HG12 ILE 46 2.422 -5.534 -0.747
311 2HG1 ILE 46 HG11 ILE 46 1.967 -4.797 0.789
312 1HG2 ILE 46 HG21 ILE 46 4.237 -7.989 1.286
313 2HG2 ILE 46 HG22 ILE 46 4.101 -7.346 -0.350
314 3HG2 ILE 46 HG23 ILE 46 3.147 -8.750 0.128
315 1HD1 ILE 46 HD11 ILE 46 4.351 -5.189 1.565
316 2HD1 ILE 46 HD12 ILE 46 4.177 -4.006 0.270
317 3HD1 ILE 46 HD13 ILE 46 4.738 -5.635 -0.097
318 H CYS 47 HN CYS 47 0.788 -7.668 2.969
319 HA CYS 47 HA CYS 47 0.377 -10.632 2.875
320 1HB CYS 47 HB2 CYS 47 1.195 -10.551 5.183
321 2HB CYS 47 HB1 CYS 47 2.315 -9.683 4.134
322 H LEU 48 HN LEU 48 -1.099 -11.391 4.759
323 HA LEU 48 HA LEU 48 -3.613 -9.827 4.630
324 1HB LEU 48 HB2 LEU 48 -2.722 -12.609 5.093
325 2HB LEU 48 HB1 LEU 48 -4.118 -12.117 6.052
326 HG LEU 48 HG LEU 48 -4.242 -11.255 3.241
327 1HD1 LEU 48 HD11 LEU 48 -3.449 -13.959 3.842
328 2HD1 LEU 48 HD12 LEU 48 -3.754 -13.225 2.267
329 3HD1 LEU 48 HD13 LEU 48 -5.080 -13.961 3.169
330 1HD2 LEU 48 HD21 LEU 48 -6.355 -11.089 4.019
331 2HD2 LEU 48 HD22 LEU 48 -5.967 -12.053 5.444
332 3HD2 LEU 48 HD23 LEU 48 -6.439 -12.849 3.943