Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
505642 | 2yth RC | 10187 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 H GLY 1 13.825 -12.089 -1.755
2 HA2 GLY 1 1HA GLY 1 14.060 -11.149 -3.939
3 HA3 GLY 1 2HA GLY 1 14.068 -12.776 -4.602
4 H SER 2 H SER 2 11.811 -13.811 -3.301
5 HA SER 2 HA SER 2 9.768 -13.102 -5.030
6 HB2 SER 2 1HB SER 2 10.037 -15.128 -3.364
7 HB3 SER 2 2HB SER 2 9.080 -14.104 -2.293
8 HG SER 2 HG SER 2 8.181 -14.400 -4.911
9 H SER 3 H SER 3 7.630 -12.164 -4.457
10 HA SER 3 HA SER 3 7.695 -9.524 -3.884
11 HB2 SER 3 1HB SER 3 5.443 -11.394 -3.108
12 HB3 SER 3 2HB SER 3 5.304 -9.651 -3.335
13 HG SER 3 HG SER 3 5.654 -11.679 -5.235
14 H GLY 4 H GLY 4 7.783 -8.203 -2.145
15 HA2 GLY 4 1HA GLY 4 8.206 -9.507 0.461
16 HA3 GLY 4 2HA GLY 4 8.818 -7.924 0.005
17 H SER 5 H SER 5 7.063 -6.275 -0.496
18 HA SER 5 HA SER 5 5.250 -6.239 1.757
19 HB2 SER 5 1HB SER 5 6.139 -4.244 -0.292
20 HB3 SER 5 2HB SER 5 4.661 -3.939 0.620
21 HG SER 5 HG SER 5 5.795 -3.680 2.410
22 H SER 6 H SER 6 3.674 -7.761 1.315
23 HA SER 6 HA SER 6 2.311 -8.013 -1.136
24 HB2 SER 6 1HB SER 6 2.381 -9.707 0.752
25 HB3 SER 6 2HB SER 6 1.179 -8.714 1.577
26 HG SER 6 HG SER 6 -0.117 -9.978 0.463
27 H GLY 7 H GLY 7 0.822 -6.768 -2.056
28 HA2 GLY 7 1HA GLY 7 -0.471 -4.702 -0.402
29 HA3 GLY 7 2HA GLY 7 -0.226 -4.604 -2.140
30 H SER 8 H SER 8 -1.505 -7.345 -0.314
31 HA SER 8 HA SER 8 -4.069 -6.970 -1.719
32 HB2 SER 8 1HB SER 8 -2.745 -9.582 -0.948
33 HB3 SER 8 2HB SER 8 -4.306 -9.418 -1.752
34 HG SER 8 HG SER 8 -2.012 -9.630 -2.919
35 H GLY 9 H GLY 9 -5.071 -5.870 -0.035
36 HA2 GLY 9 1HA GLY 9 -5.550 -7.502 2.383
37 HA3 GLY 9 2HA GLY 9 -5.337 -5.759 2.455
38 H GLU 10 H GLU 10 -7.424 -5.794 3.553
39 HA GLU 10 HA GLU 10 -9.708 -6.255 1.770
40 HB2 GLU 10 1HB GLU 10 -9.528 -7.233 4.161
41 HB3 GLU 10 2HB GLU 10 -9.912 -5.603 4.696
42 HG2 GLU 10 1HG GLU 10 -11.925 -5.810 3.086
43 HG3 GLU 10 2HG GLU 10 -11.606 -7.541 3.183
44 H LYS 11 H LYS 11 -8.597 -3.853 4.160
45 HA LYS 11 HA LYS 11 -10.430 -1.851 3.534
46 HB2 LYS 11 1HB LYS 11 -7.592 -1.579 4.540
47 HB3 LYS 11 2HB LYS 11 -8.789 -0.291 4.552
48 HG2 LYS 11 1HG LYS 11 -9.173 -2.911 5.976
49 HG3 LYS 11 2HG LYS 11 -8.456 -1.485 6.731
50 HD2 LYS 11 1HD LYS 11 -10.437 -0.345 6.777
51 HD3 LYS 11 2HD LYS 11 -11.066 -1.163 5.345
52 HE2 LYS 11 1HE LYS 11 -10.636 -2.682 7.886
53 HE3 LYS 11 2HE LYS 11 -12.079 -1.691 7.680
54 HZ1 LYS 11 3HZ LYS 11 -11.705 -3.252 5.375
55 HZ2 LYS 11 1HZ LYS 11 -12.984 -3.296 6.481
56 HZ3 LYS 11 2HZ LYS 11 -11.622 -4.267 6.725
57 HA PRO 12 HA PRO 12 -9.180 -0.436 -0.448
58 HB2 PRO 12 1HB PRO 12 -10.303 2.035 -0.376
59 HB3 PRO 12 2HB PRO 12 -11.249 0.555 -0.574
60 HG2 PRO 12 1HG PRO 12 -10.768 2.178 1.894
61 HG3 PRO 12 2HG PRO 12 -12.273 1.440 1.317
62 HD2 PRO 12 1HD PRO 12 -10.754 0.322 3.260
63 HD3 PRO 12 2HD PRO 12 -11.703 -0.646 2.114
64 H PHE 13 H PHE 13 -8.628 1.632 2.371
65 HA PHE 13 HA PHE 13 -6.603 3.179 1.003
66 HB2 PHE 13 1HB PHE 13 -7.201 3.225 3.958
67 HB3 PHE 13 2HB PHE 13 -6.477 4.495 2.977
68 HD1 PHE 13 HD1 PHE 13 -7.842 5.910 1.566
69 HD2 PHE 13 HD2 PHE 13 -9.584 2.850 3.958
70 HE1 PHE 13 HE1 PHE 13 -10.062 6.915 1.229
71 HE2 PHE 13 HE2 PHE 13 -11.807 3.850 3.624
72 HZ PHE 13 HZ PHE 13 -12.049 5.884 2.258
73 H GLN 14 H GLN 14 -4.842 1.967 0.527
74 HA GLN 14 HA GLN 14 -3.470 0.678 2.793
75 HB2 GLN 14 1HB GLN 14 -3.582 -0.226 -0.087
76 HB3 GLN 14 2HB GLN 14 -2.516 -0.921 1.126
77 HG2 GLN 14 1HG GLN 14 -4.411 -1.674 2.417
78 HG3 GLN 14 2HG GLN 14 -5.520 -0.891 1.293
79 HE21 GLN 14 1HE2 GLN 14 -2.731 -3.082 1.070
80 HE22 GLN 14 2HE2 GLN 14 -3.487 -4.208 -0.000
81 H CYS 15 H CYS 15 -1.339 1.113 3.070
82 HA CYS 15 HA CYS 15 -0.244 3.442 1.976
83 HB2 CYS 15 1HB CYS 15 0.375 2.030 4.122
84 HB3 CYS 15 2HB CYS 15 1.553 1.302 3.036
85 H GLU 16 H GLU 16 2.148 3.277 1.034
86 HA GLU 16 HA GLU 16 1.980 1.518 -1.325
87 HB2 GLU 16 1HB GLU 16 1.855 4.160 -1.484
88 HB3 GLU 16 2HB GLU 16 3.604 4.021 -1.371
89 HG2 GLU 16 1HG GLU 16 3.122 4.080 -3.661
90 HG3 GLU 16 2HG GLU 16 3.467 2.390 -3.297
91 H GLU 17 H GLU 17 3.929 2.661 1.302
92 HA GLU 17 HA GLU 17 6.294 1.270 0.286
93 HB2 GLU 17 1HB GLU 17 6.496 3.580 1.231
94 HB3 GLU 17 2HB GLU 17 6.018 2.932 2.794
95 HG2 GLU 17 1HG GLU 17 8.301 2.965 2.982
96 HG3 GLU 17 2HG GLU 17 8.016 1.312 2.438
97 H CYS 18 H CYS 18 3.731 0.932 2.557
98 HA CYS 18 HA CYS 18 4.933 -1.576 3.507
99 HB2 CYS 18 1HB CYS 18 4.240 -1.179 5.758
100 HB3 CYS 18 2HB CYS 18 5.113 0.256 5.231
101 H GLY 19 H GLY 19 2.483 -0.174 1.865
102 HA2 GLY 19 1HA GLY 19 0.273 -0.711 1.434
103 HA3 GLY 19 2HA GLY 19 0.936 -2.338 1.402
104 H LYS 20 H LYS 20 0.576 -0.164 4.174
105 HA LYS 20 HA LYS 20 -0.503 -2.205 5.815
106 HB2 LYS 20 1HB LYS 20 -0.019 0.719 6.075
107 HB3 LYS 20 2HB LYS 20 -1.162 -0.011 7.194
108 HG2 LYS 20 1HG LYS 20 1.472 -1.332 6.829
109 HG3 LYS 20 2HG LYS 20 1.408 0.173 7.751
110 HD2 LYS 20 1HD LYS 20 -0.308 -0.812 9.209
111 HD3 LYS 20 2HD LYS 20 -0.205 -2.321 8.298
112 HE2 LYS 20 1HE LYS 20 1.207 -2.805 10.030
113 HE3 LYS 20 2HE LYS 20 2.354 -2.105 8.889
114 HZ1 LYS 20 3HZ LYS 20 1.614 -1.191 11.475
115 HZ2 LYS 20 1HZ LYS 20 1.357 0.019 10.321
116 HZ3 LYS 20 2HZ LYS 20 2.887 -0.681 10.484
117 H ARG 21 H ARG 21 -2.610 -1.386 7.164
118 HA ARG 21 HA ARG 21 -4.709 -0.815 5.181
119 HB2 ARG 21 1HB ARG 21 -4.778 -2.907 7.363
120 HB3 ARG 21 2HB ARG 21 -6.168 -2.431 6.396
121 HG2 ARG 21 1HG ARG 21 -5.397 -3.481 4.516
122 HG3 ARG 21 2HG ARG 21 -3.705 -3.340 4.999
123 HD2 ARG 21 1HD ARG 21 -4.164 -5.610 5.251
124 HD3 ARG 21 2HD ARG 21 -4.318 -4.968 6.886
125 HE ARG 21 HE ARG 21 -6.846 -4.850 5.860
126 HH11 ARG 21 1HH1 ARG 21 -4.472 -7.360 6.289
127 HH12 ARG 21 2HH1 ARG 21 -5.647 -8.618 6.486
128 HH21 ARG 21 1HH2 ARG 21 -8.402 -6.498 6.117
129 HH22 ARG 21 2HH2 ARG 21 -7.882 -8.127 6.387
130 H PHE 22 H PHE 22 -6.333 0.524 5.828
131 HA PHE 22 HA PHE 22 -6.619 1.238 8.627
132 HB2 PHE 22 1HB PHE 22 -6.031 3.388 6.586
133 HB3 PHE 22 2HB PHE 22 -6.246 3.596 8.321
134 HD1 PHE 22 HD1 PHE 22 -4.502 2.914 9.882
135 HD2 PHE 22 HD2 PHE 22 -3.962 2.598 5.672
136 HE1 PHE 22 HE1 PHE 22 -2.078 2.652 10.216
137 HE2 PHE 22 HE2 PHE 22 -1.538 2.334 5.999
138 HZ PHE 22 HZ PHE 22 -0.593 2.360 8.273
139 H THR 23 H THR 23 -8.545 2.446 9.068
140 HA THR 23 HA THR 23 -10.715 1.718 7.349
141 HB THR 23 HB THR 23 -12.161 2.787 8.999
142 HG1 THR 23 HG1 THR 23 -11.304 4.469 9.962
143 HG21 THR 23 3HG2 THR 23 -10.124 0.806 9.696
144 HG22 THR 23 1HG2 THR 23 -11.869 0.772 9.949
145 HG23 THR 23 2HG2 THR 23 -10.828 1.620 11.093
146 H GLN 24 H GLN 24 -9.582 4.885 8.549
147 HA GLN 24 HA GLN 24 -10.943 6.166 6.294
148 HB2 GLN 24 1HB GLN 24 -9.862 7.208 8.904
149 HB3 GLN 24 2HB GLN 24 -10.325 8.288 7.596
150 HG2 GLN 24 1HG GLN 24 -12.565 7.776 7.784
151 HG3 GLN 24 2HG GLN 24 -12.252 6.233 8.577
152 HE21 GLN 24 1HE2 GLN 24 -12.944 9.525 8.993
153 HE22 GLN 24 2HE2 GLN 24 -12.841 9.578 10.716
154 H ASN 25 H ASN 25 -9.769 8.110 5.359
155 HA ASN 25 HA ASN 25 -7.230 7.213 4.361
156 HB2 ASN 25 1HB ASN 25 -7.347 9.532 3.189
157 HB3 ASN 25 2HB ASN 25 -8.499 8.284 2.722
158 HD21 ASN 25 1HD2 ASN 25 -8.057 11.371 4.144
159 HD22 ASN 25 2HD2 ASN 25 -9.727 11.747 4.381
160 H SER 26 H SER 26 -8.329 10.016 6.257
161 HA SER 26 HA SER 26 -6.100 11.467 6.618
162 HB2 SER 26 1HB SER 26 -8.153 12.048 7.758
163 HB3 SER 26 2HB SER 26 -8.038 10.617 8.782
164 HG SER 26 HG SER 26 -7.294 12.494 9.854
165 H HIS 27 H HIS 27 -6.808 8.443 8.333
166 HA HIS 27 HA HIS 27 -4.526 8.393 9.956
167 HB2 HIS 27 1HB HIS 27 -6.246 6.173 8.850
168 HB3 HIS 27 2HB HIS 27 -4.927 5.883 9.979
169 HD1 HIS 27 HD1 HIS 27 -6.575 5.027 11.780
170 HD2 HIS 27 HD2 HIS 27 -7.226 8.959 10.607
171 HE1 HIS 27 HE1 HIS 27 -8.149 5.987 13.490
172 H LEU 28 H LEU 28 -5.067 7.211 6.672
173 HA LEU 28 HA LEU 28 -2.529 5.956 6.406
174 HB2 LEU 28 1HB LEU 28 -4.244 5.224 4.963
175 HB3 LEU 28 2HB LEU 28 -4.607 6.867 4.438
176 HG LEU 28 HG LEU 28 -2.334 6.882 3.331
177 HD11 LEU 28 1HD1 LEU 28 -1.836 4.661 4.764
178 HD12 LEU 28 2HD1 LEU 28 -1.006 5.064 3.261
179 HD13 LEU 28 3HD1 LEU 28 -2.363 3.937 3.244
180 HD21 LEU 28 3HD2 LEU 28 -4.291 4.817 2.331
181 HD22 LEU 28 1HD2 LEU 28 -3.124 5.727 1.372
182 HD23 LEU 28 2HD2 LEU 28 -4.479 6.560 2.134
183 H HIS 29 H HIS 29 -3.775 8.893 4.803
184 HA HIS 29 HA HIS 29 -1.522 9.863 3.666
185 HB2 HIS 29 1HB HIS 29 -3.847 11.217 4.961
186 HB3 HIS 29 2HB HIS 29 -2.481 12.204 4.448
187 HD1 HIS 29 HD1 HIS 29 -2.863 13.161 2.215
188 HD2 HIS 29 HD2 HIS 29 -4.593 9.402 2.584
189 HE1 HIS 29 HE1 HIS 29 -3.948 12.700 -0.006
190 H SER 30 H SER 30 -2.487 10.515 7.033
191 HA SER 30 HA SER 30 -0.097 11.906 7.682
192 HB2 SER 30 1HB SER 30 -2.272 10.664 9.366
193 HB3 SER 30 2HB SER 30 -0.885 11.491 10.076
194 HG SER 30 HG SER 30 -1.510 13.371 8.997
195 H HIS 31 H HIS 31 -1.159 8.562 8.065
196 HA HIS 31 HA HIS 31 0.877 7.592 9.679
197 HB2 HIS 31 1HB HIS 31 -0.778 6.026 9.341
198 HB3 HIS 31 2HB HIS 31 -0.911 6.380 7.621
199 HD1 HIS 31 HD1 HIS 31 1.137 4.400 10.071
200 HD2 HIS 31 HD2 HIS 31 0.689 4.839 5.964
201 HE1 HIS 31 HE1 HIS 31 2.444 2.512 9.046
202 H GLN 32 H GLN 32 0.978 8.611 6.389
203 HA GLN 32 HA GLN 32 3.183 7.155 5.457
204 HB2 GLN 32 1HB GLN 32 2.346 9.964 4.716
205 HB3 GLN 32 2HB GLN 32 3.428 8.936 3.786
206 HG2 GLN 32 1HG GLN 32 1.497 7.289 3.654
207 HG3 GLN 32 2HG GLN 32 0.485 8.605 4.248
208 HE21 GLN 32 1HE2 GLN 32 0.206 7.307 1.750
209 HE22 GLN 32 2HE2 GLN 32 0.488 8.479 0.512
210 H ARG 33 H ARG 33 3.005 9.500 7.878
211 HA ARG 33 HA ARG 33 5.439 10.854 7.614
212 HB2 ARG 33 1HB ARG 33 3.682 10.185 9.952
213 HB3 ARG 33 2HB ARG 33 5.237 10.963 10.212
214 HG2 ARG 33 1HG ARG 33 4.580 12.850 8.883
215 HG3 ARG 33 2HG ARG 33 3.074 12.051 8.426
216 HD2 ARG 33 1HD ARG 33 2.604 11.956 10.953
217 HD3 ARG 33 2HD ARG 33 3.886 13.159 11.092
218 HE ARG 33 HE ARG 33 1.224 13.606 10.206
219 HH11 ARG 33 1HH1 ARG 33 4.519 14.612 9.706
220 HH12 ARG 33 2HH1 ARG 33 4.088 16.195 9.149
221 HH21 ARG 33 1HH2 ARG 33 0.644 15.687 9.474
222 HH22 ARG 33 2HH2 ARG 33 1.884 16.805 9.018
223 H VAL 34 H VAL 34 4.691 7.666 8.834
224 HA VAL 34 HA VAL 34 7.101 7.155 10.199
225 HB VAL 34 HB VAL 34 6.510 4.852 10.168
226 HG11 VAL 34 1HG1 VAL 34 4.902 5.374 11.608
227 HG12 VAL 34 2HG1 VAL 34 4.564 6.882 10.757
228 HG13 VAL 34 3HG1 VAL 34 3.763 5.391 10.262
229 HG21 VAL 34 3HG2 VAL 34 4.878 3.881 8.680
230 HG22 VAL 34 1HG2 VAL 34 4.536 5.458 7.970
231 HG23 VAL 34 2HG2 VAL 34 6.112 4.704 7.726
232 H HIS 35 H HIS 35 6.462 7.526 6.893
233 HA HIS 35 HA HIS 35 8.948 6.117 6.177
234 HB2 HIS 35 1HB HIS 35 6.733 6.917 4.285
235 HB3 HIS 35 2HB HIS 35 8.088 5.841 3.956
236 HD1 HIS 35 HD1 HIS 35 8.047 3.584 5.572
237 HD2 HIS 35 HD2 HIS 35 4.468 5.597 4.936
238 HE1 HIS 35 HE1 HIS 35 6.236 1.934 6.145
239 H THR 36 H THR 36 8.436 8.930 7.210
240 HA THR 36 HA THR 36 8.709 10.924 5.383
241 HB THR 36 HB THR 36 10.456 11.881 7.150
242 HG1 THR 36 HG1 THR 36 9.930 10.872 9.216
243 HG21 THR 36 3HG2 THR 36 8.695 13.015 8.021
244 HG22 THR 36 1HG2 THR 36 7.761 11.551 8.323
245 HG23 THR 36 2HG2 THR 36 7.827 12.235 6.699
246 H GLY 37 H GLY 37 10.620 12.137 4.642
247 HA2 GLY 37 1HA GLY 37 13.050 12.089 4.276
248 HA3 GLY 37 2HA GLY 37 12.908 10.346 4.100
249 H GLU 38 H GLU 38 11.531 9.589 2.263
250 HA GLU 38 HA GLU 38 12.471 10.614 -0.155
251 HB2 GLU 38 1HB GLU 38 11.389 8.307 0.439
252 HB3 GLU 38 2HB GLU 38 9.889 9.100 -0.023
253 HG2 GLU 38 1HG GLU 38 11.166 9.725 -2.182
254 HG3 GLU 38 2HG GLU 38 12.265 8.433 -1.703
255 H LYS 39 H LYS 39 12.080 12.646 -0.783
256 HA LYS 39 HA LYS 39 9.279 13.563 -0.801
257 HB2 LYS 39 1HB LYS 39 10.715 14.820 0.787
258 HB3 LYS 39 2HB LYS 39 11.761 15.273 -0.552
259 HG2 LYS 39 1HG LYS 39 10.396 17.131 -0.221
260 HG3 LYS 39 2HG LYS 39 9.678 16.304 -1.605
261 HD2 LYS 39 1HD LYS 39 7.828 16.789 -0.295
262 HD3 LYS 39 2HD LYS 39 8.205 15.132 0.180
263 HE2 LYS 39 1HE LYS 39 9.182 15.824 2.204
264 HE3 LYS 39 2HE LYS 39 9.294 17.501 1.672
265 HZ1 LYS 39 3HZ LYS 39 7.277 16.372 3.164
266 HZ2 LYS 39 1HZ LYS 39 6.602 16.597 1.629
267 HZ3 LYS 39 2HZ LYS 39 7.276 17.909 2.457
268 HA PRO 40 HA PRO 40 10.795 13.292 -5.178
269 HB2 PRO 40 1HB PRO 40 8.520 12.163 -6.138
270 HB3 PRO 40 2HB PRO 40 9.845 11.218 -5.449
271 HG2 PRO 40 1HG PRO 40 7.276 12.083 -4.180
272 HG3 PRO 40 2HG PRO 40 8.094 10.513 -4.090
273 HD2 PRO 40 1HD PRO 40 8.248 12.351 -2.108
274 HD3 PRO 40 2HD PRO 40 9.578 11.237 -2.482
275 H SER 41 H SER 41 10.728 15.421 -5.729
276 HA SER 41 HA SER 41 8.380 17.025 -5.546
277 HB2 SER 41 1HB SER 41 9.690 18.768 -6.552
278 HB3 SER 41 2HB SER 41 10.751 17.885 -5.455
279 HG SER 41 HG SER 41 11.164 16.621 -7.569
280 H GLY 42 H GLY 42 9.307 14.653 -7.715
281 HA2 GLY 42 1HA GLY 42 7.508 15.766 -9.779
282 HA3 GLY 42 2HA GLY 42 8.951 14.848 -10.183
283 HA PRO 43 HA PRO 43 5.110 12.100 -9.780
284 HB2 PRO 43 1HB PRO 43 4.835 11.484 -12.410
285 HB3 PRO 43 2HB PRO 43 4.032 12.868 -11.658
286 HG2 PRO 43 1HG PRO 43 6.541 12.791 -13.290
287 HG3 PRO 43 2HG PRO 43 5.200 13.949 -13.354
288 HD2 PRO 43 1HD PRO 43 7.527 14.484 -12.077
289 HD3 PRO 43 2HD PRO 43 5.966 15.130 -11.529
290 H SER 44 H SER 44 5.005 9.791 -10.410
291 HA SER 44 HA SER 44 7.714 8.680 -10.731
292 HB2 SER 44 1HB SER 44 7.001 6.776 -9.427
293 HB3 SER 44 2HB SER 44 6.576 8.240 -8.542
294 HG SER 44 HG SER 44 4.461 7.968 -9.109
295 H SER 45 H SER 45 8.006 6.831 -12.025
296 HA SER 45 HA SER 45 6.150 6.687 -14.254
297 HB2 SER 45 1HB SER 45 8.941 5.710 -13.755
298 HB3 SER 45 2HB SER 45 7.995 5.012 -15.069
299 HG SER 45 HG SER 45 9.371 7.201 -15.173
300 H GLY 46 H GLY 46 7.822 4.252 -12.241
301 HA2 GLY 46 1HA GLY 46 5.381 2.597 -12.434
302 HA3 GLY 46 2HA GLY 46 6.988 1.906 -12.601
Start of MODEL 2
1 H1 GLY 1 H GLY 1 3.742 -14.423 -15.372
2 HA2 GLY 1 1HA GLY 1 4.086 -12.198 -14.736
3 HA3 GLY 1 2HA GLY 1 3.203 -11.677 -16.164
4 H SER 2 H SER 2 2.651 -13.395 -13.091
5 HA SER 2 HA SER 2 -0.124 -12.809 -13.012
6 HB2 SER 2 1HB SER 2 1.712 -13.534 -10.716
7 HB3 SER 2 2HB SER 2 -0.048 -13.652 -10.723
8 HG SER 2 HG SER 2 1.365 -15.601 -11.247
9 H SER 3 H SER 3 2.584 -11.507 -11.089
10 HA SER 3 HA SER 3 2.790 -9.583 -9.879
11 HB2 SER 3 1HB SER 3 2.812 -8.788 -12.296
12 HB3 SER 3 2HB SER 3 1.126 -8.326 -12.064
13 HG SER 3 HG SER 3 1.901 -6.558 -11.255
14 H GLY 4 H GLY 4 0.718 -11.182 -8.957
15 HA2 GLY 4 1HA GLY 4 -0.617 -10.297 -7.041
16 HA3 GLY 4 2HA GLY 4 -1.321 -9.180 -8.201
17 H SER 5 H SER 5 -3.266 -9.722 -8.902
18 HA SER 5 HA SER 5 -5.073 -10.943 -9.552
19 HB2 SER 5 1HB SER 5 -3.185 -13.298 -9.755
20 HB3 SER 5 2HB SER 5 -4.744 -13.110 -10.558
21 HG SER 5 HG SER 5 -2.285 -12.151 -11.268
22 H SER 6 H SER 6 -4.658 -10.587 -6.840
23 HA SER 6 HA SER 6 -6.315 -12.623 -5.753
24 HB2 SER 6 1HB SER 6 -4.217 -13.879 -5.675
25 HB3 SER 6 2HB SER 6 -3.438 -12.556 -4.808
26 HG SER 6 HG SER 6 -5.224 -14.473 -3.902
27 H GLY 7 H GLY 7 -7.067 -12.125 -3.640
28 HA2 GLY 7 1HA GLY 7 -7.439 -9.431 -3.094
29 HA3 GLY 7 2HA GLY 7 -7.668 -10.722 -1.924
30 H SER 8 H SER 8 -5.824 -8.024 -2.777
31 HA SER 8 HA SER 8 -3.836 -8.687 -0.704
32 HB2 SER 8 1HB SER 8 -3.513 -7.375 -3.373
33 HB3 SER 8 2HB SER 8 -2.451 -6.886 -2.053
34 HG SER 8 HG SER 8 -2.408 -9.452 -1.935
35 H GLY 9 H GLY 9 -4.949 -7.714 0.979
36 HA2 GLY 9 1HA GLY 9 -4.942 -5.777 2.358
37 HA3 GLY 9 2HA GLY 9 -4.913 -4.781 0.911
38 H GLU 10 H GLU 10 -6.898 -6.540 3.150
39 HA GLU 10 HA GLU 10 -9.354 -6.580 1.920
40 HB2 GLU 10 1HB GLU 10 -8.699 -5.992 4.809
41 HB3 GLU 10 2HB GLU 10 -10.322 -6.323 4.221
42 HG2 GLU 10 1HG GLU 10 -9.289 -8.501 3.296
43 HG3 GLU 10 2HG GLU 10 -7.980 -8.164 4.427
44 H LYS 11 H LYS 11 -8.084 -3.928 3.937
45 HA LYS 11 HA LYS 11 -10.228 -2.165 3.264
46 HB2 LYS 11 1HB LYS 11 -7.545 -1.627 4.549
47 HB3 LYS 11 2HB LYS 11 -8.841 -0.446 4.415
48 HG2 LYS 11 1HG LYS 11 -10.284 -2.046 5.713
49 HG3 LYS 11 2HG LYS 11 -8.823 -2.990 6.014
50 HD2 LYS 11 1HD LYS 11 -7.801 -0.875 6.946
51 HD3 LYS 11 2HD LYS 11 -9.415 -0.164 6.872
52 HE2 LYS 11 1HE LYS 11 -8.854 -1.080 9.101
53 HE3 LYS 11 2HE LYS 11 -10.271 -1.839 8.377
54 HZ1 LYS 11 3HZ LYS 11 -9.188 -3.804 8.089
55 HZ2 LYS 11 1HZ LYS 11 -8.372 -3.256 9.466
56 HZ3 LYS 11 2HZ LYS 11 -7.661 -3.092 7.941
57 HA PRO 12 HA PRO 12 -8.754 -0.597 -0.579
58 HB2 PRO 12 1HB PRO 12 -10.070 1.777 -0.599
59 HB3 PRO 12 2HB PRO 12 -10.876 0.229 -0.882
60 HG2 PRO 12 1HG PRO 12 -10.738 1.864 1.623
61 HG3 PRO 12 2HG PRO 12 -12.125 1.015 0.916
62 HD2 PRO 12 1HD PRO 12 -10.696 0.002 2.980
63 HD3 PRO 12 2HD PRO 12 -11.464 -1.028 1.755
64 H PHE 13 H PHE 13 -8.636 1.514 2.265
65 HA PHE 13 HA PHE 13 -6.606 3.202 1.081
66 HB2 PHE 13 1HB PHE 13 -7.475 3.230 3.966
67 HB3 PHE 13 2HB PHE 13 -6.791 4.549 3.021
68 HD1 PHE 13 HD1 PHE 13 -8.204 5.337 0.985
69 HD2 PHE 13 HD2 PHE 13 -9.757 3.108 4.262
70 HE1 PHE 13 HE1 PHE 13 -10.471 6.126 0.443
71 HE2 PHE 13 HE2 PHE 13 -12.026 3.893 3.725
72 HZ PHE 13 HZ PHE 13 -12.385 5.403 1.813
73 H GLN 14 H GLN 14 -4.739 2.081 0.787
74 HA GLN 14 HA GLN 14 -3.469 1.000 3.213
75 HB2 GLN 14 1HB GLN 14 -3.289 -0.108 0.407
76 HB3 GLN 14 2HB GLN 14 -2.349 -0.681 1.777
77 HG2 GLN 14 1HG GLN 14 -4.704 -1.018 2.864
78 HG3 GLN 14 2HG GLN 14 -5.244 -1.025 1.187
79 HE21 GLN 14 1HE2 GLN 14 -3.222 -2.303 -0.084
80 HE22 GLN 14 2HE2 GLN 14 -3.091 -3.929 0.483
81 H CYS 15 H CYS 15 -1.077 0.946 3.087
82 HA CYS 15 HA CYS 15 -0.092 3.485 2.203
83 HB2 CYS 15 1HB CYS 15 0.602 1.965 4.260
84 HB3 CYS 15 2HB CYS 15 1.753 1.315 3.098
85 H GLU 16 H GLU 16 2.292 3.324 1.193
86 HA GLU 16 HA GLU 16 2.009 1.708 -1.255
87 HB2 GLU 16 1HB GLU 16 1.974 4.358 -1.252
88 HB3 GLU 16 2HB GLU 16 3.719 4.152 -1.197
89 HG2 GLU 16 1HG GLU 16 3.583 2.754 -3.226
90 HG3 GLU 16 2HG GLU 16 1.853 3.080 -3.299
91 H GLU 17 H GLU 17 4.021 2.551 1.416
92 HA GLU 17 HA GLU 17 6.292 1.096 0.251
93 HB2 GLU 17 1HB GLU 17 6.730 3.372 1.133
94 HB3 GLU 17 2HB GLU 17 6.210 2.833 2.724
95 HG2 GLU 17 1HG GLU 17 8.465 2.631 2.944
96 HG3 GLU 17 2HG GLU 17 8.064 1.014 2.366
97 H CYS 18 H CYS 18 3.808 0.893 2.606
98 HA CYS 18 HA CYS 18 4.946 -1.642 3.567
99 HB2 CYS 18 1HB CYS 18 4.396 -1.191 5.813
100 HB3 CYS 18 2HB CYS 18 5.137 0.297 5.233
101 H GLY 19 H GLY 19 2.547 -0.250 1.884
102 HA2 GLY 19 1HA GLY 19 0.286 -0.696 1.549
103 HA3 GLY 19 2HA GLY 19 0.930 -2.328 1.438
104 H LYS 20 H LYS 20 0.238 -0.037 4.084
105 HA LYS 20 HA LYS 20 -0.640 -2.178 5.795
106 HB2 LYS 20 1HB LYS 20 -0.242 0.759 6.059
107 HB3 LYS 20 2HB LYS 20 -1.366 -0.006 7.175
108 HG2 LYS 20 1HG LYS 20 1.305 -1.251 6.815
109 HG3 LYS 20 2HG LYS 20 1.198 0.253 7.734
110 HD2 LYS 20 1HD LYS 20 -0.167 -0.702 9.367
111 HD3 LYS 20 2HD LYS 20 -0.636 -2.046 8.322
112 HE2 LYS 20 1HE LYS 20 2.203 -1.663 9.218
113 HE3 LYS 20 2HE LYS 20 1.028 -2.512 10.220
114 HZ1 LYS 20 3HZ LYS 20 0.669 -4.080 8.431
115 HZ2 LYS 20 1HZ LYS 20 2.312 -4.029 8.831
116 HZ3 LYS 20 2HZ LYS 20 1.757 -3.250 7.437
117 H ARG 21 H ARG 21 -2.774 -1.441 7.135
118 HA ARG 21 HA ARG 21 -4.883 -0.997 5.125
119 HB2 ARG 21 1HB ARG 21 -4.870 -2.940 7.439
120 HB3 ARG 21 2HB ARG 21 -6.303 -2.543 6.499
121 HG2 ARG 21 1HG ARG 21 -5.578 -3.682 4.650
122 HG3 ARG 21 2HG ARG 21 -3.874 -3.499 5.071
123 HD2 ARG 21 1HD ARG 21 -4.461 -5.792 5.382
124 HD3 ARG 21 2HD ARG 21 -4.256 -5.066 6.976
125 HE ARG 21 HE ARG 21 -6.971 -5.082 5.997
126 HH11 ARG 21 1HH1 ARG 21 -4.531 -6.791 7.798
127 HH12 ARG 21 2HH1 ARG 21 -5.670 -7.740 8.693
128 HH21 ARG 21 1HH2 ARG 21 -8.482 -6.326 7.169
129 HH22 ARG 21 2HH2 ARG 21 -7.918 -7.475 8.334
130 H PHE 22 H PHE 22 -5.924 0.832 5.512
131 HA PHE 22 HA PHE 22 -6.447 1.592 8.307
132 HB2 PHE 22 1HB PHE 22 -5.865 3.576 6.107
133 HB3 PHE 22 2HB PHE 22 -6.007 3.895 7.833
134 HD1 PHE 22 HD1 PHE 22 -4.227 3.174 9.374
135 HD2 PHE 22 HD2 PHE 22 -3.836 2.789 5.154
136 HE1 PHE 22 HE1 PHE 22 -1.797 2.882 9.629
137 HE2 PHE 22 HE2 PHE 22 -1.406 2.496 5.402
138 HZ PHE 22 HZ PHE 22 -0.384 2.541 7.642
139 H THR 23 H THR 23 -8.458 2.376 8.757
140 HA THR 23 HA THR 23 -10.513 1.869 6.811
141 HB THR 23 HB THR 23 -12.063 2.648 8.632
142 HG1 THR 23 HG1 THR 23 -10.721 2.631 10.753
143 HG21 THR 23 3HG2 THR 23 -11.368 0.272 8.332
144 HG22 THR 23 1HG2 THR 23 -11.776 0.686 9.996
145 HG23 THR 23 2HG2 THR 23 -10.086 0.543 9.512
146 H GLN 24 H GLN 24 -9.219 4.729 8.461
147 HA GLN 24 HA GLN 24 -10.844 6.439 6.716
148 HB2 GLN 24 1HB GLN 24 -10.624 6.649 9.342
149 HB3 GLN 24 2HB GLN 24 -9.163 7.536 8.926
150 HG2 GLN 24 1HG GLN 24 -10.690 9.231 9.052
151 HG3 GLN 24 2HG GLN 24 -10.752 8.848 7.332
152 HE21 GLN 24 1HE2 GLN 24 -12.528 7.664 6.532
153 HE22 GLN 24 2HE2 GLN 24 -14.029 7.619 7.385
154 H ASN 25 H ASN 25 -9.952 7.846 5.280
155 HA ASN 25 HA ASN 25 -7.456 7.301 4.175
156 HB2 ASN 25 1HB ASN 25 -7.756 9.338 2.866
157 HB3 ASN 25 2HB ASN 25 -9.278 8.457 2.972
158 HD21 ASN 25 1HD2 ASN 25 -11.004 9.384 3.941
159 HD22 ASN 25 2HD2 ASN 25 -11.011 10.996 4.565
160 H SER 26 H SER 26 -8.422 9.801 6.485
161 HA SER 26 HA SER 26 -6.101 11.295 6.593
162 HB2 SER 26 1HB SER 26 -8.057 12.024 7.788
163 HB3 SER 26 2HB SER 26 -8.037 10.583 8.804
164 HG SER 26 HG SER 26 -6.513 12.891 8.960
165 H HIS 27 H HIS 27 -6.933 8.484 8.620
166 HA HIS 27 HA HIS 27 -4.682 8.278 10.152
167 HB2 HIS 27 1HB HIS 27 -6.570 6.269 9.017
168 HB3 HIS 27 2HB HIS 27 -5.094 5.676 9.774
169 HD1 HIS 27 HD1 HIS 27 -5.490 5.059 12.122
170 HD2 HIS 27 HD2 HIS 27 -7.830 8.295 10.976
171 HE1 HIS 27 HE1 HIS 27 -6.825 5.679 14.161
172 H LEU 28 H LEU 28 -5.084 7.245 6.802
173 HA LEU 28 HA LEU 28 -2.478 6.065 6.625
174 HB2 LEU 28 1HB LEU 28 -4.050 5.162 5.155
175 HB3 LEU 28 2HB LEU 28 -4.624 6.749 4.650
176 HG LEU 28 HG LEU 28 -2.334 7.036 3.553
177 HD11 LEU 28 1HD1 LEU 28 -1.701 4.474 2.887
178 HD12 LEU 28 2HD1 LEU 28 -2.134 4.306 4.588
179 HD13 LEU 28 3HD1 LEU 28 -0.869 5.437 4.108
180 HD21 LEU 28 3HD2 LEU 28 -3.508 6.660 1.709
181 HD22 LEU 28 1HD2 LEU 28 -4.740 5.857 2.683
182 HD23 LEU 28 2HD2 LEU 28 -3.425 4.917 1.975
183 H HIS 29 H HIS 29 -3.905 8.921 5.025
184 HA HIS 29 HA HIS 29 -1.768 10.022 3.816
185 HB2 HIS 29 1HB HIS 29 -3.831 11.491 5.469
186 HB3 HIS 29 2HB HIS 29 -2.735 12.269 4.330
187 HD1 HIS 29 HD1 HIS 29 -5.949 12.095 4.183
188 HD2 HIS 29 HD2 HIS 29 -3.208 9.928 1.935
189 HE1 HIS 29 HE1 HIS 29 -7.180 11.409 2.100
190 H SER 30 H SER 30 -2.485 10.296 7.278
191 HA SER 30 HA SER 30 -0.130 11.848 7.819
192 HB2 SER 30 1HB SER 30 -2.137 12.093 9.209
193 HB3 SER 30 2HB SER 30 -2.007 10.407 9.711
194 HG SER 30 HG SER 30 -0.858 11.233 11.271
195 H HIS 31 H HIS 31 -1.112 8.478 8.307
196 HA HIS 31 HA HIS 31 1.069 7.535 9.714
197 HB2 HIS 31 1HB HIS 31 -0.624 5.970 9.480
198 HB3 HIS 31 2HB HIS 31 -0.815 6.281 7.757
199 HD1 HIS 31 HD1 HIS 31 1.205 4.293 10.191
200 HD2 HIS 31 HD2 HIS 31 0.882 4.813 6.081
201 HE1 HIS 31 HE1 HIS 31 2.536 2.420 9.170
202 H GLN 32 H GLN 32 0.797 8.313 6.318
203 HA GLN 32 HA GLN 32 2.950 6.988 5.232
204 HB2 GLN 32 1HB GLN 32 1.662 9.622 4.646
205 HB3 GLN 32 2HB GLN 32 3.144 9.191 3.805
206 HG2 GLN 32 1HG GLN 32 2.127 7.250 2.860
207 HG3 GLN 32 2HG GLN 32 0.684 7.464 3.849
208 HE21 GLN 32 1HE2 GLN 32 0.393 7.194 1.186
209 HE22 GLN 32 2HE2 GLN 32 -0.066 8.697 0.468
210 H ARG 33 H ARG 33 2.946 9.608 7.483
211 HA ARG 33 HA ARG 33 5.461 10.724 7.043
212 HB2 ARG 33 1HB ARG 33 3.845 10.381 9.567
213 HB3 ARG 33 2HB ARG 33 5.367 11.261 9.529
214 HG2 ARG 33 1HG ARG 33 4.198 12.571 7.580
215 HG3 ARG 33 2HG ARG 33 2.730 11.979 8.359
216 HD2 ARG 33 1HD ARG 33 4.911 13.392 9.872
217 HD3 ARG 33 2HD ARG 33 3.583 14.255 9.098
218 HE ARG 33 HE ARG 33 2.270 12.468 10.592
219 HH11 ARG 33 1HH1 ARG 33 4.906 14.614 11.346
220 HH12 ARG 33 2HH1 ARG 33 4.455 14.794 13.009
221 HH21 ARG 33 1HH2 ARG 33 1.666 12.697 12.780
222 HH22 ARG 33 2HH2 ARG 33 2.613 13.702 13.824
223 H VAL 34 H VAL 34 4.537 7.735 8.586
224 HA VAL 34 HA VAL 34 6.839 7.166 10.047
225 HB VAL 34 HB VAL 34 6.180 4.889 10.048
226 HG11 VAL 34 1HG1 VAL 34 3.437 5.615 9.786
227 HG12 VAL 34 2HG1 VAL 34 4.384 5.382 11.257
228 HG13 VAL 34 3HG1 VAL 34 4.316 6.970 10.493
229 HG21 VAL 34 3HG2 VAL 34 4.516 5.487 7.602
230 HG22 VAL 34 1HG2 VAL 34 6.022 4.569 7.634
231 HG23 VAL 34 2HG2 VAL 34 4.589 3.941 8.448
232 H HIS 35 H HIS 35 6.489 7.513 6.708
233 HA HIS 35 HA HIS 35 9.013 6.068 6.233
234 HB2 HIS 35 1HB HIS 35 6.938 6.669 4.127
235 HB3 HIS 35 2HB HIS 35 8.310 5.571 4.011
236 HD1 HIS 35 HD1 HIS 35 8.125 3.457 5.787
237 HD2 HIS 35 HD2 HIS 35 4.618 5.421 4.736
238 HE1 HIS 35 HE1 HIS 35 6.265 1.866 6.362
239 H THR 36 H THR 36 7.405 9.063 6.192
240 HA THR 36 HA THR 36 8.337 10.626 4.252
241 HB THR 36 HB THR 36 7.150 11.472 6.264
242 HG1 THR 36 HG1 THR 36 7.784 13.280 5.375
243 HG21 THR 36 3HG2 THR 36 9.178 10.362 7.698
244 HG22 THR 36 1HG2 THR 36 8.071 11.586 8.319
245 HG23 THR 36 2HG2 THR 36 9.651 12.061 7.694
246 H GLY 37 H GLY 37 10.214 10.973 3.268
247 HA2 GLY 37 1HA GLY 37 12.471 10.971 2.838
248 HA3 GLY 37 2HA GLY 37 12.614 11.662 4.447
249 H GLU 38 H GLU 38 12.810 8.757 2.538
250 HA GLU 38 HA GLU 38 13.541 7.138 4.842
251 HB2 GLU 38 1HB GLU 38 13.445 6.386 1.915
252 HB3 GLU 38 2HB GLU 38 13.626 5.278 3.267
253 HG2 GLU 38 1HG GLU 38 11.422 5.598 3.977
254 HG3 GLU 38 2HG GLU 38 11.232 7.059 3.010
255 H LYS 39 H LYS 39 15.556 7.014 5.545
256 HA LYS 39 HA LYS 39 17.828 7.077 5.645
257 HB2 LYS 39 1HB LYS 39 17.476 5.272 3.887
258 HB3 LYS 39 2HB LYS 39 17.811 6.510 2.682
259 HG2 LYS 39 1HG LYS 39 19.838 5.377 3.005
260 HG3 LYS 39 2HG LYS 39 20.004 6.896 3.890
261 HD2 LYS 39 1HD LYS 39 20.851 5.246 5.336
262 HD3 LYS 39 2HD LYS 39 19.230 5.599 5.941
263 HE2 LYS 39 1HE LYS 39 18.409 3.633 4.626
264 HE3 LYS 39 2HE LYS 39 20.091 3.244 4.268
265 HZ1 LYS 39 3HZ LYS 39 20.470 3.135 6.701
266 HZ2 LYS 39 1HZ LYS 39 19.400 1.956 6.130
267 HZ3 LYS 39 2HZ LYS 39 18.806 3.316 6.941
268 HA PRO 40 HA PRO 40 17.653 11.314 3.542
269 HB2 PRO 40 1HB PRO 40 17.361 12.793 5.800
270 HB3 PRO 40 2HB PRO 40 15.989 12.172 4.874
271 HG2 PRO 40 1HG PRO 40 17.241 11.082 7.365
272 HG3 PRO 40 2HG PRO 40 15.524 11.249 6.957
273 HD2 PRO 40 1HD PRO 40 16.849 8.896 6.752
274 HD3 PRO 40 2HD PRO 40 15.517 9.339 5.666
275 H SER 41 H SER 41 19.888 10.737 3.165
276 HA SER 41 HA SER 41 21.786 11.261 5.305
277 HB2 SER 41 1HB SER 41 22.097 9.343 3.729
278 HB3 SER 41 2HB SER 41 22.340 10.507 2.427
279 HG SER 41 HG SER 41 24.272 10.960 3.175
280 H GLY 42 H GLY 42 20.253 13.495 4.528
281 HA2 GLY 42 1HA GLY 42 21.528 15.683 4.604
282 HA3 GLY 42 2HA GLY 42 22.239 15.141 3.091
283 HA PRO 43 HA PRO 43 17.556 16.095 2.242
284 HB2 PRO 43 1HB PRO 43 16.300 17.566 4.147
285 HB3 PRO 43 2HB PRO 43 16.302 15.799 4.144
286 HG2 PRO 43 1HG PRO 43 18.004 17.693 5.719
287 HG3 PRO 43 2HG PRO 43 17.204 16.202 6.250
288 HD2 PRO 43 1HD PRO 43 19.840 16.302 5.639
289 HD3 PRO 43 2HD PRO 43 18.850 14.854 5.365
290 H SER 44 H SER 44 20.085 18.015 3.222
291 HA SER 44 HA SER 44 20.779 20.136 2.766
292 HB2 SER 44 1HB SER 44 20.410 20.899 0.565
293 HB3 SER 44 2HB SER 44 20.273 19.145 0.444
294 HG SER 44 HG SER 44 18.394 19.552 -0.395
295 H SER 45 H SER 45 18.771 19.990 4.695
296 HA SER 45 HA SER 45 16.880 22.128 4.106
297 HB2 SER 45 1HB SER 45 17.192 20.148 6.341
298 HB3 SER 45 2HB SER 45 16.200 21.587 6.571
299 HG SER 45 HG SER 45 15.231 19.518 5.670
300 H GLY 46 H GLY 46 16.763 24.069 5.261
301 HA2 GLY 46 1HA GLY 46 19.330 25.050 6.168
302 HA3 GLY 46 2HA GLY 46 17.861 25.993 5.970
Start of MODEL 3
1 H1 GLY 1 H GLY 1 -7.960 -12.844 16.782
2 HA2 GLY 1 1HA GLY 1 -5.982 -14.325 17.660
3 HA3 GLY 1 2HA GLY 1 -6.924 -14.237 19.142
4 H SER 2 H SER 2 -7.273 -15.060 15.697
5 HA SER 2 HA SER 2 -8.522 -17.562 16.365
6 HB2 SER 2 1HB SER 2 -10.410 -15.916 16.545
7 HB3 SER 2 2HB SER 2 -10.175 -15.538 14.838
8 HG SER 2 HG SER 2 -11.756 -17.303 15.620
9 H SER 3 H SER 3 -7.623 -18.931 14.990
10 HA SER 3 HA SER 3 -6.472 -18.033 12.511
11 HB2 SER 3 1HB SER 3 -5.372 -19.755 13.910
12 HB3 SER 3 2HB SER 3 -6.727 -20.844 13.611
13 HG SER 3 HG SER 3 -4.574 -20.389 12.086
14 H GLY 4 H GLY 4 -8.082 -17.417 11.115
15 HA2 GLY 4 1HA GLY 4 -9.877 -19.587 10.220
16 HA3 GLY 4 2HA GLY 4 -10.441 -17.932 10.389
17 H SER 5 H SER 5 -11.054 -18.355 8.095
18 HA SER 5 HA SER 5 -8.935 -17.354 6.361
19 HB2 SER 5 1HB SER 5 -9.129 -19.046 4.718
20 HB3 SER 5 2HB SER 5 -9.025 -19.915 6.249
21 HG SER 5 HG SER 5 -11.179 -20.337 6.161
22 H SER 6 H SER 6 -10.020 -17.147 4.011
23 HA SER 6 HA SER 6 -11.372 -15.697 2.856
24 HB2 SER 6 1HB SER 6 -13.584 -16.515 2.582
25 HB3 SER 6 2HB SER 6 -12.608 -17.932 2.967
26 HG SER 6 HG SER 6 -13.297 -17.522 5.213
27 H GLY 7 H GLY 7 -10.494 -14.501 5.201
28 HA2 GLY 7 1HA GLY 7 -12.537 -13.444 6.828
29 HA3 GLY 7 2HA GLY 7 -10.940 -12.743 6.607
30 H SER 8 H SER 8 -13.997 -11.900 6.522
31 HA SER 8 HA SER 8 -13.863 -10.346 4.038
32 HB2 SER 8 1HB SER 8 -16.271 -9.901 4.436
33 HB3 SER 8 2HB SER 8 -15.915 -11.626 4.347
34 HG SER 8 HG SER 8 -16.571 -11.835 6.329
35 H GLY 9 H GLY 9 -13.609 -8.190 4.031
36 HA2 GLY 9 1HA GLY 9 -14.325 -6.116 5.346
37 HA3 GLY 9 2HA GLY 9 -13.420 -6.860 6.655
38 H GLU 10 H GLU 10 -12.888 -6.176 3.192
39 HA GLU 10 HA GLU 10 -10.098 -5.603 3.712
40 HB2 GLU 10 1HB GLU 10 -10.723 -6.832 1.689
41 HB3 GLU 10 2HB GLU 10 -11.702 -5.474 1.152
42 HG2 GLU 10 1HG GLU 10 -9.565 -4.106 1.207
43 HG3 GLU 10 2HG GLU 10 -8.716 -5.642 1.371
44 H LYS 11 H LYS 11 -9.068 -3.617 3.236
45 HA LYS 11 HA LYS 11 -10.873 -1.288 3.327
46 HB2 LYS 11 1HB LYS 11 -8.123 -1.618 4.540
47 HB3 LYS 11 2HB LYS 11 -9.032 -0.113 4.522
48 HG2 LYS 11 1HG LYS 11 -10.853 -1.358 5.765
49 HG3 LYS 11 2HG LYS 11 -9.673 -2.651 5.992
50 HD2 LYS 11 1HD LYS 11 -8.165 -0.682 6.862
51 HD3 LYS 11 2HD LYS 11 -9.721 0.106 7.131
52 HE2 LYS 11 1HE LYS 11 -10.440 -1.857 8.452
53 HE3 LYS 11 2HE LYS 11 -8.837 -2.558 8.238
54 HZ1 LYS 11 3HZ LYS 11 -8.799 0.129 9.267
55 HZ2 LYS 11 1HZ LYS 11 -7.980 -1.248 9.809
56 HZ3 LYS 11 2HZ LYS 11 -9.577 -0.970 10.290
57 HA PRO 12 HA PRO 12 -9.074 -0.101 -0.530
58 HB2 PRO 12 1HB PRO 12 -9.940 2.472 -0.558
59 HB3 PRO 12 2HB PRO 12 -11.004 1.096 -0.877
60 HG2 PRO 12 1HG PRO 12 -10.640 2.664 1.647
61 HG3 PRO 12 2HG PRO 12 -12.138 2.084 0.897
62 HD2 PRO 12 1HD PRO 12 -10.969 0.818 2.986
63 HD3 PRO 12 2HD PRO 12 -11.877 -0.049 1.731
64 H PHE 13 H PHE 13 -8.722 2.084 2.256
65 HA PHE 13 HA PHE 13 -6.450 3.437 1.193
66 HB2 PHE 13 1HB PHE 13 -7.258 3.273 4.099
67 HB3 PHE 13 2HB PHE 13 -6.310 4.535 3.319
68 HD1 PHE 13 HD1 PHE 13 -7.554 5.724 1.303
69 HD2 PHE 13 HD2 PHE 13 -9.474 3.687 4.510
70 HE1 PHE 13 HE1 PHE 13 -9.609 7.012 0.886
71 HE2 PHE 13 HE2 PHE 13 -11.532 4.971 4.098
72 HZ PHE 13 HZ PHE 13 -11.602 6.635 2.284
73 H GLN 14 H GLN 14 -4.535 2.518 0.906
74 HA GLN 14 HA GLN 14 -3.374 0.946 3.072
75 HB2 GLN 14 1HB GLN 14 -3.443 -0.043 0.216
76 HB3 GLN 14 2HB GLN 14 -2.650 -0.836 1.571
77 HG2 GLN 14 1HG GLN 14 -5.076 -0.752 2.594
78 HG3 GLN 14 2HG GLN 14 -5.534 -0.659 0.895
79 HE21 GLN 14 1HE2 GLN 14 -2.987 -2.422 2.621
80 HE22 GLN 14 2HE2 GLN 14 -3.437 -3.986 2.041
81 H CYS 15 H CYS 15 -1.210 1.222 3.300
82 HA CYS 15 HA CYS 15 0.043 3.430 2.143
83 HB2 CYS 15 1HB CYS 15 0.622 2.079 4.295
84 HB3 CYS 15 2HB CYS 15 1.624 1.114 3.216
85 H GLU 16 H GLU 16 2.284 3.202 1.036
86 HA GLU 16 HA GLU 16 1.972 1.347 -1.232
87 HB2 GLU 16 1HB GLU 16 1.883 3.985 -1.481
88 HB3 GLU 16 2HB GLU 16 3.632 3.816 -1.462
89 HG2 GLU 16 1HG GLU 16 3.395 2.154 -3.324
90 HG3 GLU 16 2HG GLU 16 1.694 2.608 -3.414
91 H GLU 17 H GLU 17 4.052 2.504 1.271
92 HA GLU 17 HA GLU 17 6.349 1.059 0.172
93 HB2 GLU 17 1HB GLU 17 6.186 2.840 2.610
94 HB3 GLU 17 2HB GLU 17 7.653 2.157 1.923
95 HG2 GLU 17 1HG GLU 17 5.915 3.859 0.210
96 HG3 GLU 17 2HG GLU 17 6.948 4.622 1.417
97 H CYS 18 H CYS 18 3.883 0.807 2.548
98 HA CYS 18 HA CYS 18 5.101 -1.683 3.524
99 HB2 CYS 18 1HB CYS 18 4.644 -1.208 5.775
100 HB3 CYS 18 2HB CYS 18 5.291 0.306 5.151
101 H GLY 19 H GLY 19 2.671 -0.423 1.837
102 HA2 GLY 19 1HA GLY 19 0.408 -0.902 1.559
103 HA3 GLY 19 2HA GLY 19 1.068 -2.530 1.523
104 H LYS 20 H LYS 20 0.123 -0.057 3.911
105 HA LYS 20 HA LYS 20 -0.653 -2.148 5.780
106 HB2 LYS 20 1HB LYS 20 -0.202 0.788 5.931
107 HB3 LYS 20 2HB LYS 20 -1.335 0.087 7.079
108 HG2 LYS 20 1HG LYS 20 1.311 -1.220 6.759
109 HG3 LYS 20 2HG LYS 20 1.235 0.319 7.621
110 HD2 LYS 20 1HD LYS 20 -0.706 -1.834 8.325
111 HD3 LYS 20 2HD LYS 20 0.958 -1.958 8.902
112 HE2 LYS 20 1HE LYS 20 0.791 0.133 10.044
113 HE3 LYS 20 2HE LYS 20 -0.771 0.477 9.301
114 HZ1 LYS 20 3HZ LYS 20 -0.863 -1.998 10.666
115 HZ2 LYS 20 1HZ LYS 20 -1.788 -0.605 10.925
116 HZ3 LYS 20 2HZ LYS 20 -0.303 -0.792 11.713
117 H ARG 21 H ARG 21 -2.765 -1.242 7.107
118 HA ARG 21 HA ARG 21 -4.873 -0.755 5.116
119 HB2 ARG 21 1HB ARG 21 -4.761 -2.927 7.196
120 HB3 ARG 21 2HB ARG 21 -6.292 -2.359 6.543
121 HG2 ARG 21 1HG ARG 21 -5.922 -3.281 4.491
122 HG3 ARG 21 2HG ARG 21 -4.167 -3.162 4.632
123 HD2 ARG 21 1HD ARG 21 -4.435 -5.419 4.879
124 HD3 ARG 21 2HD ARG 21 -4.541 -4.911 6.564
125 HE ARG 21 HE ARG 21 -6.774 -5.480 6.574
126 HH11 ARG 21 1HH1 ARG 21 -5.537 -5.570 3.321
127 HH12 ARG 21 2HH1 ARG 21 -6.938 -6.355 2.671
128 HH21 ARG 21 1HH2 ARG 21 -8.624 -6.513 5.730
129 HH22 ARG 21 2HH2 ARG 21 -8.693 -6.890 4.041
130 H PHE 22 H PHE 22 -6.398 0.679 5.713
131 HA PHE 22 HA PHE 22 -6.752 1.355 8.522
132 HB2 PHE 22 1HB PHE 22 -6.096 3.496 6.491
133 HB3 PHE 22 2HB PHE 22 -6.364 3.717 8.217
134 HD1 PHE 22 HD2 PHE 22 -4.033 2.492 5.668
135 HD2 PHE 22 HD1 PHE 22 -4.651 3.219 9.817
136 HE1 PHE 22 HE2 PHE 22 -1.623 2.208 6.074
137 HE2 PHE 22 HE1 PHE 22 -2.242 2.937 10.228
138 HZ PHE 22 HZ PHE 22 -0.724 2.430 8.356
139 H THR 23 H THR 23 -8.725 2.352 8.986
140 HA THR 23 HA THR 23 -10.826 1.775 7.136
141 HB THR 23 HB THR 23 -10.989 3.321 9.730
142 HG1 THR 23 HG1 THR 23 -10.165 1.216 10.059
143 HG21 THR 23 3HG2 THR 23 -13.138 1.794 8.261
144 HG22 THR 23 1HG2 THR 23 -12.929 3.542 8.169
145 HG23 THR 23 2HG2 THR 23 -13.329 2.782 9.709
146 H GLN 24 H GLN 24 -9.496 4.784 8.492
147 HA GLN 24 HA GLN 24 -10.961 6.290 6.439
148 HB2 GLN 24 1HB GLN 24 -9.746 7.117 9.071
149 HB3 GLN 24 2HB GLN 24 -10.297 8.284 7.876
150 HG2 GLN 24 1HG GLN 24 -12.168 6.152 8.768
151 HG3 GLN 24 2HG GLN 24 -11.848 7.515 9.839
152 HE21 GLN 24 1HE2 GLN 24 -13.702 8.622 9.724
153 HE22 GLN 24 2HE2 GLN 24 -14.387 9.255 8.270
154 H ASN 25 H ASN 25 -9.877 7.955 5.261
155 HA ASN 25 HA ASN 25 -7.347 7.180 4.275
156 HB2 ASN 25 1HB ASN 25 -7.438 9.312 3.001
157 HB3 ASN 25 2HB ASN 25 -8.917 8.366 2.856
158 HD21 ASN 25 1HD2 ASN 25 -7.694 11.380 3.385
159 HD22 ASN 25 2HD2 ASN 25 -9.071 12.119 4.123
160 H SER 26 H SER 26 -8.369 9.679 6.547
161 HA SER 26 HA SER 26 -6.117 11.195 6.824
162 HB2 SER 26 1HB SER 26 -8.186 11.612 8.081
163 HB3 SER 26 2HB SER 26 -7.877 10.189 9.075
164 HG SER 26 HG SER 26 -5.721 11.468 9.365
165 H HIS 27 H HIS 27 -6.777 8.132 8.513
166 HA HIS 27 HA HIS 27 -4.467 7.936 10.011
167 HB2 HIS 27 1HB HIS 27 -6.581 6.356 9.767
168 HB3 HIS 27 2HB HIS 27 -5.507 5.466 8.692
169 HD1 HIS 27 HD1 HIS 27 -6.534 4.334 11.418
170 HD2 HIS 27 HD2 HIS 27 -2.858 6.176 10.822
171 HE1 HIS 27 HE1 HIS 27 -5.050 3.484 13.261
172 H LEU 28 H LEU 28 -4.982 7.082 6.624
173 HA LEU 28 HA LEU 28 -2.403 5.940 6.237
174 HB2 LEU 28 1HB LEU 28 -4.032 5.257 4.711
175 HB3 LEU 28 2HB LEU 28 -4.570 6.908 4.408
176 HG LEU 28 HG LEU 28 -2.286 7.254 3.303
177 HD11 LEU 28 1HD1 LEU 28 -2.348 4.262 3.059
178 HD12 LEU 28 2HD1 LEU 28 -1.393 5.091 4.288
179 HD13 LEU 28 3HD1 LEU 28 -1.071 5.379 2.578
180 HD21 LEU 28 3HD2 LEU 28 -3.146 5.861 1.248
181 HD22 LEU 28 1HD2 LEU 28 -4.023 7.284 1.810
182 HD23 LEU 28 2HD2 LEU 28 -4.582 5.672 2.256
183 H HIS 29 H HIS 29 -3.727 8.905 4.762
184 HA HIS 29 HA HIS 29 -1.530 10.071 3.770
185 HB2 HIS 29 1HB HIS 29 -3.901 11.222 5.170
186 HB3 HIS 29 2HB HIS 29 -2.572 12.302 4.760
187 HD1 HIS 29 HD1 HIS 29 -5.368 12.567 3.450
188 HD2 HIS 29 HD2 HIS 29 -2.171 10.490 1.798
189 HE1 HIS 29 HE1 HIS 29 -5.819 12.496 0.977
190 H SER 30 H SER 30 -2.500 10.393 7.183
191 HA SER 30 HA SER 30 -0.150 11.806 7.938
192 HB2 SER 30 1HB SER 30 -2.022 12.137 9.338
193 HB3 SER 30 2HB SER 30 -2.322 10.406 9.489
194 HG SER 30 HG SER 30 0.139 11.353 10.379
195 H HIS 31 H HIS 31 -1.128 8.415 8.083
196 HA HIS 31 HA HIS 31 0.957 7.390 9.602
197 HB2 HIS 31 1HB HIS 31 -0.720 5.847 9.171
198 HB3 HIS 31 2HB HIS 31 -0.798 6.254 7.460
199 HD1 HIS 31 HD1 HIS 31 0.905 4.021 9.879
200 HD2 HIS 31 HD2 HIS 31 1.166 4.987 5.847
201 HE1 HIS 31 HE1 HIS 31 2.344 2.233 8.852
202 H GLN 32 H GLN 32 0.901 8.421 6.273
203 HA GLN 32 HA GLN 32 3.164 7.139 5.286
204 HB2 GLN 32 1HB GLN 32 2.139 9.909 4.641
205 HB3 GLN 32 2HB GLN 32 3.311 9.017 3.680
206 HG2 GLN 32 1HG GLN 32 1.723 7.427 3.014
207 HG3 GLN 32 2HG GLN 32 0.581 7.926 4.261
208 HE21 GLN 32 1HE2 GLN 32 -0.129 7.687 1.596
209 HE22 GLN 32 2HE2 GLN 32 -0.493 9.255 0.967
210 H ARG 33 H ARG 33 2.878 9.773 7.516
211 HA ARG 33 HA ARG 33 5.288 11.077 7.287
212 HB2 ARG 33 1HB ARG 33 3.511 10.453 9.609
213 HB3 ARG 33 2HB ARG 33 5.080 11.187 9.913
214 HG2 ARG 33 1HG ARG 33 4.516 13.155 8.840
215 HG3 ARG 33 2HG ARG 33 3.226 12.394 7.907
216 HD2 ARG 33 1HD ARG 33 2.062 13.620 9.495
217 HD3 ARG 33 2HD ARG 33 2.110 12.006 10.202
218 HE ARG 33 HE ARG 33 4.326 13.496 11.097
219 HH11 ARG 33 1HH1 ARG 33 0.869 13.300 11.466
220 HH12 ARG 33 2HH1 ARG 33 0.873 13.946 13.074
221 HH21 ARG 33 1HH2 ARG 33 4.344 14.348 13.213
222 HH22 ARG 33 2HH2 ARG 33 2.850 14.542 14.066
223 H VAL 34 H VAL 34 4.614 7.992 8.863
224 HA VAL 34 HA VAL 34 7.046 7.572 10.141
225 HB VAL 34 HB VAL 34 6.561 5.182 10.036
226 HG11 VAL 34 1HG1 VAL 34 4.529 5.198 11.250
227 HG12 VAL 34 2HG1 VAL 34 5.306 6.749 11.571
228 HG13 VAL 34 3HG1 VAL 34 3.965 6.653 10.429
229 HG21 VAL 34 3HG2 VAL 34 4.160 4.856 8.797
230 HG22 VAL 34 1HG2 VAL 34 4.950 6.020 7.733
231 HG23 VAL 34 2HG2 VAL 34 5.722 4.472 8.076
232 H HIS 35 H HIS 35 6.181 7.237 6.769
233 HA HIS 35 HA HIS 35 8.774 6.051 6.132
234 HB2 HIS 35 1HB HIS 35 6.420 6.677 4.337
235 HB3 HIS 35 2HB HIS 35 7.876 5.813 3.854
236 HD1 HIS 35 HD1 HIS 35 8.275 3.620 5.665
237 HD2 HIS 35 HD2 HIS 35 4.427 4.934 4.812
238 HE1 HIS 35 HE1 HIS 35 6.764 1.691 6.233
239 H THR 36 H THR 36 7.947 9.000 6.874
240 HA THR 36 HA THR 36 8.288 10.851 4.989
241 HB THR 36 HB THR 36 10.039 11.937 6.686
242 HG1 THR 36 HG1 THR 36 10.180 10.905 8.547
243 HG21 THR 36 3HG2 THR 36 8.245 13.180 7.130
244 HG22 THR 36 1HG2 THR 36 7.540 11.879 8.088
245 HG23 THR 36 2HG2 THR 36 7.240 11.957 6.352
246 H GLY 37 H GLY 37 11.197 9.536 6.593
247 HA2 GLY 37 1HA GLY 37 13.148 10.517 4.992
248 HA3 GLY 37 2HA GLY 37 13.228 8.905 5.686
249 H GLU 38 H GLU 38 12.216 7.146 4.430
250 HA GLU 38 HA GLU 38 13.240 6.696 2.012
251 HB2 GLU 38 1HB GLU 38 10.587 5.869 3.136
252 HB3 GLU 38 2HB GLU 38 11.034 5.390 1.504
253 HG2 GLU 38 1HG GLU 38 12.670 4.809 3.961
254 HG3 GLU 38 2HG GLU 38 11.534 3.684 3.219
255 H LYS 39 H LYS 39 13.048 7.359 -0.043
256 HA LYS 39 HA LYS 39 11.028 9.413 -0.615
257 HB2 LYS 39 1HB LYS 39 12.481 10.223 -2.333
258 HB3 LYS 39 2HB LYS 39 13.456 9.979 -0.890
259 HG2 LYS 39 1HG LYS 39 14.105 7.740 -1.860
260 HG3 LYS 39 2HG LYS 39 13.351 8.277 -3.363
261 HD2 LYS 39 1HD LYS 39 15.431 9.942 -1.984
262 HD3 LYS 39 2HD LYS 39 15.885 8.628 -3.071
263 HE2 LYS 39 1HE LYS 39 13.958 10.781 -3.894
264 HE3 LYS 39 2HE LYS 39 15.702 10.981 -4.059
265 HZ1 LYS 39 3HZ LYS 39 14.183 9.943 -5.958
266 HZ2 LYS 39 1HZ LYS 39 14.573 8.521 -5.128
267 HZ3 LYS 39 2HZ LYS 39 15.803 9.506 -5.744
268 HA PRO 40 HA PRO 40 8.870 6.749 -3.371
269 HB2 PRO 40 1HB PRO 40 7.762 8.602 -5.017
270 HB3 PRO 40 2HB PRO 40 7.202 8.329 -3.363
271 HG2 PRO 40 1HG PRO 40 9.028 10.453 -4.418
272 HG3 PRO 40 2HG PRO 40 7.699 10.598 -3.253
273 HD2 PRO 40 1HD PRO 40 10.296 10.490 -2.494
274 HD3 PRO 40 2HD PRO 40 8.983 9.825 -1.501
275 H SER 41 H SER 41 9.929 5.520 -4.795
276 HA SER 41 HA SER 41 12.021 6.302 -6.444
277 HB2 SER 41 1HB SER 41 10.084 3.996 -6.730
278 HB3 SER 41 2HB SER 41 11.535 4.183 -7.713
279 HG SER 41 HG SER 41 12.715 3.554 -6.084
280 H GLY 42 H GLY 42 12.195 7.095 -8.480
281 HA2 GLY 42 1HA GLY 42 11.334 7.445 -10.702
282 HA3 GLY 42 2HA GLY 42 9.714 7.481 -10.021
283 HA PRO 43 HA PRO 43 11.289 11.838 -10.717
284 HB2 PRO 43 1HB PRO 43 9.243 12.620 -12.320
285 HB3 PRO 43 2HB PRO 43 10.713 11.860 -12.941
286 HG2 PRO 43 1HG PRO 43 8.035 10.638 -12.395
287 HG3 PRO 43 2HG PRO 43 9.115 10.395 -13.781
288 HD2 PRO 43 1HD PRO 43 8.951 8.629 -11.735
289 HD3 PRO 43 2HD PRO 43 10.454 8.908 -12.638
290 H SER 44 H SER 44 10.249 13.819 -10.033
291 HA SER 44 HA SER 44 8.911 13.705 -7.657
292 HB2 SER 44 1HB SER 44 8.700 15.891 -9.743
293 HB3 SER 44 2HB SER 44 8.255 16.062 -8.045
294 HG SER 44 HG SER 44 10.507 16.675 -8.872
295 H SER 45 H SER 45 6.691 14.422 -7.106
296 HA SER 45 HA SER 45 4.757 12.723 -8.074
297 HB2 SER 45 1HB SER 45 4.342 15.456 -6.837
298 HB3 SER 45 2HB SER 45 3.104 14.209 -6.987
299 HG SER 45 HG SER 45 5.217 14.407 -5.222
300 H GLY 46 H GLY 46 5.074 16.189 -8.874
301 HA2 GLY 46 1HA GLY 46 4.509 15.812 -11.620
302 HA3 GLY 46 2HA GLY 46 3.043 16.299 -10.782
Start of MODEL 4
1 H1 GLY 1 H GLY 1 -12.230 -28.019 -3.409
2 HA2 GLY 1 1HA GLY 1 -14.292 -26.209 -2.326
3 HA3 GLY 1 2HA GLY 1 -12.945 -26.859 -1.403
4 H SER 2 H SER 2 -13.290 -24.244 -1.189
5 HA SER 2 HA SER 2 -10.858 -23.154 -2.104
6 HB2 SER 2 1HB SER 2 -12.020 -23.051 -4.267
7 HB3 SER 2 2HB SER 2 -13.328 -22.130 -3.526
8 HG SER 2 HG SER 2 -12.168 -20.401 -3.738
9 H SER 3 H SER 3 -10.402 -21.145 -1.171
10 HA SER 3 HA SER 3 -12.437 -20.180 0.732
11 HB2 SER 3 1HB SER 3 -9.433 -20.132 1.103
12 HB3 SER 3 2HB SER 3 -10.644 -19.620 2.279
13 HG SER 3 HG SER 3 -10.320 -22.251 1.257
14 H GLY 4 H GLY 4 -12.333 -19.173 -1.852
15 HA2 GLY 4 1HA GLY 4 -10.974 -16.575 -1.550
16 HA3 GLY 4 2HA GLY 4 -11.469 -17.285 -3.080
17 H SER 5 H SER 5 -13.021 -16.422 0.016
18 HA SER 5 HA SER 5 -15.484 -15.753 -1.295
19 HB2 SER 5 1HB SER 5 -15.016 -16.601 1.171
20 HB3 SER 5 2HB SER 5 -14.905 -14.873 1.503
21 HG SER 5 HG SER 5 -17.101 -16.361 0.551
22 H SER 6 H SER 6 -13.061 -13.859 0.508
23 HA SER 6 HA SER 6 -14.231 -11.355 -0.228
24 HB2 SER 6 1HB SER 6 -12.983 -11.560 1.857
25 HB3 SER 6 2HB SER 6 -11.524 -11.998 0.968
26 HG SER 6 HG SER 6 -11.525 -9.790 1.528
27 H GLY 7 H GLY 7 -11.138 -12.916 -1.095
28 HA2 GLY 7 1HA GLY 7 -10.057 -12.941 -3.147
29 HA3 GLY 7 2HA GLY 7 -11.376 -11.993 -3.818
30 H SER 8 H SER 8 -11.274 -9.751 -3.783
31 HA SER 8 HA SER 8 -8.763 -8.589 -4.064
32 HB2 SER 8 1HB SER 8 -11.456 -7.339 -3.498
33 HB3 SER 8 2HB SER 8 -10.011 -6.395 -3.861
34 HG SER 8 HG SER 8 -10.632 -6.697 -5.851
35 H GLY 9 H GLY 9 -8.253 -6.453 -2.729
36 HA2 GLY 9 1HA GLY 9 -7.211 -7.224 -0.285
37 HA3 GLY 9 2HA GLY 9 -7.502 -5.556 -0.753
38 H GLU 10 H GLU 10 -7.810 -5.553 1.698
39 HA GLU 10 HA GLU 10 -10.577 -6.285 2.379
40 HB2 GLU 10 1HB GLU 10 -8.166 -5.807 4.132
41 HB3 GLU 10 2HB GLU 10 -9.796 -6.008 4.758
42 HG2 GLU 10 1HG GLU 10 -8.060 -8.017 3.378
43 HG3 GLU 10 2HG GLU 10 -8.812 -8.110 4.970
44 H LYS 11 H LYS 11 -8.170 -3.702 2.745
45 HA LYS 11 HA LYS 11 -10.384 -1.807 3.181
46 HB2 LYS 11 1HB LYS 11 -7.493 -1.585 4.038
47 HB3 LYS 11 2HB LYS 11 -8.720 -0.351 4.289
48 HG2 LYS 11 1HG LYS 11 -9.980 -2.324 5.492
49 HG3 LYS 11 2HG LYS 11 -8.342 -2.961 5.657
50 HD2 LYS 11 1HD LYS 11 -7.795 -0.558 6.511
51 HD3 LYS 11 2HD LYS 11 -9.534 -0.465 6.796
52 HE2 LYS 11 1HE LYS 11 -7.855 -2.740 7.817
53 HE3 LYS 11 2HE LYS 11 -8.078 -1.250 8.734
54 HZ1 LYS 11 3HZ LYS 11 -10.379 -2.816 7.734
55 HZ2 LYS 11 1HZ LYS 11 -10.352 -1.648 8.958
56 HZ3 LYS 11 2HZ LYS 11 -9.649 -3.163 9.220
57 HA PRO 12 HA PRO 12 -9.383 0.113 -0.651
58 HB2 PRO 12 1HB PRO 12 -10.390 2.588 -0.176
59 HB3 PRO 12 2HB PRO 12 -11.411 1.177 -0.478
60 HG2 PRO 12 1HG PRO 12 -10.667 2.454 2.125
61 HG3 PRO 12 2HG PRO 12 -12.243 1.845 1.588
62 HD2 PRO 12 1HD PRO 12 -10.623 0.439 3.241
63 HD3 PRO 12 2HD PRO 12 -11.701 -0.344 2.067
64 H PHE 13 H PHE 13 -8.660 2.006 2.277
65 HA PHE 13 HA PHE 13 -6.520 3.413 0.905
66 HB2 PHE 13 1HB PHE 13 -7.137 3.646 3.839
67 HB3 PHE 13 2HB PHE 13 -6.434 4.849 2.762
68 HD1 PHE 13 HD1 PHE 13 -7.887 5.956 1.056
69 HD2 PHE 13 HD2 PHE 13 -9.461 3.498 4.154
70 HE1 PHE 13 HE1 PHE 13 -10.113 6.945 0.706
71 HE2 PHE 13 HE2 PHE 13 -11.689 4.483 3.808
72 HZ PHE 13 HZ PHE 13 -12.017 6.208 2.082
73 H GLN 14 H GLN 14 -4.638 2.404 0.677
74 HA GLN 14 HA GLN 14 -3.473 1.074 3.015
75 HB2 GLN 14 1HB GLN 14 -3.546 -0.083 0.224
76 HB3 GLN 14 2HB GLN 14 -2.615 -0.742 1.562
77 HG2 GLN 14 1HG GLN 14 -4.798 -0.978 2.802
78 HG3 GLN 14 2HG GLN 14 -5.600 -0.605 1.278
79 HE21 GLN 14 1HE2 GLN 14 -2.942 -2.683 2.390
80 HE22 GLN 14 2HE2 GLN 14 -3.469 -4.096 1.548
81 H CYS 15 H CYS 15 -1.277 1.292 3.229
82 HA CYS 15 HA CYS 15 -0.037 3.494 2.024
83 HB2 CYS 15 1HB CYS 15 0.510 2.137 4.224
84 HB3 CYS 15 2HB CYS 15 1.616 1.276 3.158
85 H GLU 16 H GLU 16 2.265 3.193 1.001
86 HA GLU 16 HA GLU 16 1.982 1.279 -1.222
87 HB2 GLU 16 1HB GLU 16 1.915 3.913 -1.553
88 HB3 GLU 16 2HB GLU 16 3.662 3.726 -1.505
89 HG2 GLU 16 1HG GLU 16 3.687 2.384 -3.421
90 HG3 GLU 16 2HG GLU 16 1.954 2.076 -3.331
91 H GLU 17 H GLU 17 4.033 2.546 1.263
92 HA GLU 17 HA GLU 17 6.361 1.097 0.261
93 HB2 GLU 17 1HB GLU 17 6.288 2.618 2.847
94 HB3 GLU 17 2HB GLU 17 7.654 2.311 1.783
95 HG2 GLU 17 1HG GLU 17 7.300 4.487 1.281
96 HG3 GLU 17 2HG GLU 17 6.203 3.758 0.109
97 H CYS 18 H CYS 18 3.839 0.821 2.597
98 HA CYS 18 HA CYS 18 5.024 -1.697 3.540
99 HB2 CYS 18 1HB CYS 18 4.345 -1.263 5.809
100 HB3 CYS 18 2HB CYS 18 5.311 0.101 5.254
101 H GLY 19 H GLY 19 2.590 -0.331 1.896
102 HA2 GLY 19 1HA GLY 19 0.321 -0.787 1.613
103 HA3 GLY 19 2HA GLY 19 0.981 -2.409 1.463
104 H LYS 20 H LYS 20 -0.110 -0.082 3.922
105 HA LYS 20 HA LYS 20 -0.887 -2.328 5.639
106 HB2 LYS 20 1HB LYS 20 -0.157 0.506 6.103
107 HB3 LYS 20 2HB LYS 20 -1.397 -0.159 7.158
108 HG2 LYS 20 1HG LYS 20 0.338 -2.119 7.412
109 HG3 LYS 20 2HG LYS 20 1.481 -0.863 6.929
110 HD2 LYS 20 1HD LYS 20 1.493 -0.623 9.219
111 HD3 LYS 20 2HD LYS 20 0.250 0.543 8.761
112 HE2 LYS 20 1HE LYS 20 -0.647 -0.669 10.573
113 HE3 LYS 20 2HE LYS 20 -1.433 -1.314 9.132
114 HZ1 LYS 20 3HZ LYS 20 0.032 -3.196 9.172
115 HZ2 LYS 20 1HZ LYS 20 -0.695 -3.046 10.693
116 HZ3 LYS 20 2HZ LYS 20 0.908 -2.557 10.470
117 H ARG 21 H ARG 21 -2.910 -1.415 7.100
118 HA ARG 21 HA ARG 21 -5.007 -0.665 5.173
119 HB2 ARG 21 1HB ARG 21 -5.253 -2.684 7.410
120 HB3 ARG 21 2HB ARG 21 -6.547 -2.185 6.329
121 HG2 ARG 21 1HG ARG 21 -5.739 -3.392 4.573
122 HG3 ARG 21 2HG ARG 21 -4.066 -3.280 5.123
123 HD2 ARG 21 1HD ARG 21 -4.293 -5.034 6.599
124 HD3 ARG 21 2HD ARG 21 -6.036 -4.813 6.754
125 HE ARG 21 HE ARG 21 -5.578 -5.576 4.139
126 HH11 ARG 21 1HH1 ARG 21 -5.071 -6.905 7.316
127 HH12 ARG 21 2HH1 ARG 21 -5.231 -8.550 6.796
128 HH21 ARG 21 1HH2 ARG 21 -5.791 -7.737 3.442
129 HH22 ARG 21 2HH2 ARG 21 -5.639 -9.022 4.592
130 H PHE 22 H PHE 22 -6.420 0.870 5.812
131 HA PHE 22 HA PHE 22 -6.556 1.617 8.632
132 HB2 PHE 22 1HB PHE 22 -6.003 3.654 6.467
133 HB3 PHE 22 2HB PHE 22 -6.144 3.961 8.195
134 HD1 PHE 22 HD2 PHE 22 -4.026 2.584 5.545
135 HD2 PHE 22 HD1 PHE 22 -4.341 3.453 9.700
136 HE1 PHE 22 HE2 PHE 22 -1.602 2.248 5.796
137 HE2 PHE 22 HE1 PHE 22 -1.917 3.119 9.957
138 HZ PHE 22 HZ PHE 22 -0.544 2.514 8.004
139 H THR 23 H THR 23 -8.644 1.536 9.103
140 HA THR 23 HA THR 23 -10.809 1.289 7.551
141 HB THR 23 HB THR 23 -12.085 2.687 9.319
142 HG1 THR 23 HG1 THR 23 -9.738 3.534 9.897
143 HG21 THR 23 3HG2 THR 23 -12.257 0.817 10.631
144 HG22 THR 23 1HG2 THR 23 -10.519 0.523 10.632
145 HG23 THR 23 2HG2 THR 23 -11.482 0.110 9.214
146 H GLN 24 H GLN 24 -9.196 4.348 8.254
147 HA GLN 24 HA GLN 24 -10.826 5.600 6.144
148 HB2 GLN 24 1HB GLN 24 -9.985 6.677 8.817
149 HB3 GLN 24 2HB GLN 24 -10.318 7.769 7.479
150 HG2 GLN 24 1HG GLN 24 -12.334 5.698 8.187
151 HG3 GLN 24 2HG GLN 24 -12.181 7.132 9.200
152 HE21 GLN 24 1HE2 GLN 24 -13.200 8.917 8.592
153 HE22 GLN 24 2HE2 GLN 24 -13.932 9.180 7.049
154 H ASN 25 H ASN 25 -9.741 7.548 5.177
155 HA ASN 25 HA ASN 25 -7.099 6.811 4.343
156 HB2 ASN 25 1HB ASN 25 -7.321 9.098 3.108
157 HB3 ASN 25 2HB ASN 25 -8.332 7.747 2.606
158 HD21 ASN 25 1HD2 ASN 25 -8.244 10.905 3.894
159 HD22 ASN 25 2HD2 ASN 25 -9.949 11.136 4.052
160 H SER 26 H SER 26 -8.486 9.540 6.148
161 HA SER 26 HA SER 26 -6.459 11.217 6.567
162 HB2 SER 26 1HB SER 26 -8.564 11.505 7.731
163 HB3 SER 26 2HB SER 26 -8.251 10.085 8.728
164 HG SER 26 HG SER 26 -7.610 11.727 9.985
165 H HIS 27 H HIS 27 -6.798 8.148 8.331
166 HA HIS 27 HA HIS 27 -4.523 8.327 9.913
167 HB2 HIS 27 1HB HIS 27 -6.452 6.517 9.751
168 HB3 HIS 27 2HB HIS 27 -5.266 5.677 8.756
169 HD1 HIS 27 HD1 HIS 27 -6.393 5.253 11.892
170 HD2 HIS 27 HD2 HIS 27 -2.585 6.182 10.513
171 HE1 HIS 27 HE1 HIS 27 -4.822 4.536 13.720
172 H LEU 28 H LEU 28 -4.873 7.036 6.628
173 HA LEU 28 HA LEU 28 -2.217 6.162 6.323
174 HB2 LEU 28 1HB LEU 28 -3.785 5.339 4.787
175 HB3 LEU 28 2HB LEU 28 -4.366 6.954 4.387
176 HG LEU 28 HG LEU 28 -2.147 7.373 3.286
177 HD11 LEU 28 1HD1 LEU 28 -0.720 5.534 2.759
178 HD12 LEU 28 2HD1 LEU 28 -1.828 4.387 3.511
179 HD13 LEU 28 3HD1 LEU 28 -0.956 5.552 4.507
180 HD21 LEU 28 3HD2 LEU 28 -3.847 5.120 2.221
181 HD22 LEU 28 1HD2 LEU 28 -2.705 6.076 1.275
182 HD23 LEU 28 2HD2 LEU 28 -4.125 6.846 1.984
183 H HIS 29 H HIS 29 -3.786 9.187 5.288
184 HA HIS 29 HA HIS 29 -1.767 10.483 4.029
185 HB2 HIS 29 1HB HIS 29 -3.703 11.633 6.046
186 HB3 HIS 29 2HB HIS 29 -2.692 12.611 4.987
187 HD1 HIS 29 HD1 HIS 29 -5.768 12.775 4.858
188 HD2 HIS 29 HD2 HIS 29 -3.448 10.328 2.430
189 HE1 HIS 29 HE1 HIS 29 -7.167 12.332 2.815
190 H SER 30 H SER 30 -2.293 10.667 7.555
191 HA SER 30 HA SER 30 0.200 11.956 8.036
192 HB2 SER 30 1HB SER 30 -1.950 11.950 9.494
193 HB3 SER 30 2HB SER 30 -1.319 10.435 10.140
194 HG SER 30 HG SER 30 0.426 12.603 10.017
195 H HIS 31 H HIS 31 -0.958 8.631 8.515
196 HA HIS 31 HA HIS 31 1.224 7.475 9.695
197 HB2 HIS 31 1HB HIS 31 -0.518 5.989 9.440
198 HB3 HIS 31 2HB HIS 31 -0.834 6.478 7.778
199 HD1 HIS 31 HD1 HIS 31 1.244 4.151 9.825
200 HD2 HIS 31 HD2 HIS 31 0.670 5.130 5.828
201 HE1 HIS 31 HE1 HIS 31 2.394 2.337 8.516
202 H GLN 32 H GLN 32 0.855 8.457 6.354
203 HA GLN 32 HA GLN 32 2.957 7.098 5.166
204 HB2 GLN 32 1HB GLN 32 1.649 9.738 4.637
205 HB3 GLN 32 2HB GLN 32 3.086 9.290 3.728
206 HG2 GLN 32 1HG GLN 32 1.784 7.089 3.269
207 HG3 GLN 32 2HG GLN 32 0.375 8.051 3.712
208 HE21 GLN 32 1HE2 GLN 32 -0.565 8.154 1.736
209 HE22 GLN 32 2HE2 GLN 32 0.134 8.956 0.375
210 H ARG 33 H ARG 33 2.995 9.975 7.177
211 HA ARG 33 HA ARG 33 5.623 10.813 6.675
212 HB2 ARG 33 1HB ARG 33 3.787 11.137 9.037
213 HB3 ARG 33 2HB ARG 33 5.417 11.796 9.045
214 HG2 ARG 33 1HG ARG 33 4.857 13.074 6.996
215 HG3 ARG 33 2HG ARG 33 3.197 12.489 7.136
216 HD2 ARG 33 1HD ARG 33 3.192 14.619 8.133
217 HD3 ARG 33 2HD ARG 33 3.207 13.475 9.476
218 HE ARG 33 HE ARG 33 5.828 14.335 8.693
219 HH11 ARG 33 1HH1 ARG 33 3.029 15.119 10.608
220 HH12 ARG 33 2HH1 ARG 33 3.909 16.106 11.727
221 HH21 ARG 33 1HH2 ARG 33 6.998 15.632 10.160
222 HH22 ARG 33 2HH2 ARG 33 6.167 16.398 11.471
223 H VAL 34 H VAL 34 4.493 8.013 8.179
224 HA VAL 34 HA VAL 34 6.521 7.615 10.123
225 HB VAL 34 HB VAL 34 4.259 6.384 9.861
226 HG11 VAL 34 1HG1 VAL 34 4.863 5.639 7.512
227 HG12 VAL 34 2HG1 VAL 34 5.944 4.468 8.271
228 HG13 VAL 34 3HG1 VAL 34 4.210 4.402 8.587
229 HG21 VAL 34 3HG2 VAL 34 6.768 5.645 11.034
230 HG22 VAL 34 1HG2 VAL 34 5.132 5.367 11.632
231 HG23 VAL 34 2HG2 VAL 34 5.886 4.197 10.548
232 H HIS 35 H HIS 35 6.580 7.541 6.745
233 HA HIS 35 HA HIS 35 9.033 5.909 6.750
234 HB2 HIS 35 1HB HIS 35 7.253 6.477 4.375
235 HB3 HIS 35 2HB HIS 35 8.594 5.338 4.452
236 HD1 HIS 35 HD1 HIS 35 8.177 3.293 6.234
237 HD2 HIS 35 HD2 HIS 35 4.837 5.359 4.880
238 HE1 HIS 35 HE1 HIS 35 6.217 1.793 6.717
239 H THR 36 H THR 36 8.309 8.947 7.044
240 HA THR 36 HA THR 36 9.122 10.579 5.102
241 HB THR 36 HB THR 36 10.610 11.728 6.997
242 HG1 THR 36 HG1 THR 36 10.360 9.752 8.314
243 HG21 THR 36 3HG2 THR 36 7.622 11.529 6.775
244 HG22 THR 36 1HG2 THR 36 8.685 12.839 6.263
245 HG23 THR 36 2HG2 THR 36 8.382 12.569 7.979
246 H GLY 37 H GLY 37 10.719 10.605 3.669
247 HA2 GLY 37 1HA GLY 37 13.430 10.569 4.224
248 HA3 GLY 37 2HA GLY 37 12.989 8.902 3.885
249 H GLU 38 H GLU 38 11.568 8.704 1.822
250 HA GLU 38 HA GLU 38 13.143 9.523 -0.359
251 HB2 GLU 38 1HB GLU 38 11.413 7.563 -0.100
252 HB3 GLU 38 2HB GLU 38 10.275 8.751 -0.721
253 HG2 GLU 38 1HG GLU 38 11.077 7.443 -2.545
254 HG3 GLU 38 2HG GLU 38 11.752 9.065 -2.686
255 H LYS 39 H LYS 39 13.196 11.357 -1.471
256 HA LYS 39 HA LYS 39 10.911 13.204 -1.235
257 HB2 LYS 39 1HB LYS 39 12.536 15.048 -1.516
258 HB3 LYS 39 2HB LYS 39 12.838 14.098 -0.067
259 HG2 LYS 39 1HG LYS 39 14.961 14.265 -0.842
260 HG3 LYS 39 2HG LYS 39 14.469 12.802 -1.699
261 HD2 LYS 39 1HD LYS 39 14.317 13.877 -3.723
262 HD3 LYS 39 2HD LYS 39 13.983 15.446 -2.986
263 HE2 LYS 39 1HE LYS 39 16.153 15.653 -3.834
264 HE3 LYS 39 2HE LYS 39 16.385 15.343 -2.114
265 HZ1 LYS 39 3HZ LYS 39 16.476 12.876 -2.969
266 HZ2 LYS 39 1HZ LYS 39 17.850 13.863 -2.988
267 HZ3 LYS 39 2HZ LYS 39 16.963 13.622 -4.407
268 HA PRO 40 HA PRO 40 10.522 12.964 -5.615
269 HB2 PRO 40 1HB PRO 40 9.186 15.287 -6.046
270 HB3 PRO 40 2HB PRO 40 8.428 13.863 -5.326
271 HG2 PRO 40 1HG PRO 40 9.519 16.308 -3.988
272 HG3 PRO 40 2HG PRO 40 8.015 15.429 -3.657
273 HD2 PRO 40 1HD PRO 40 10.241 15.127 -2.146
274 HD3 PRO 40 2HD PRO 40 9.088 13.806 -2.421
275 H SER 41 H SER 41 11.519 13.694 -7.458
276 HA SER 41 HA SER 41 13.837 15.318 -7.137
277 HB2 SER 41 1HB SER 41 13.758 13.451 -8.742
278 HB3 SER 41 2HB SER 41 12.528 14.305 -9.675
279 HG SER 41 HG SER 41 14.743 14.542 -10.438
280 H GLY 42 H GLY 42 13.178 17.363 -6.471
281 HA2 GLY 42 1HA GLY 42 13.074 19.591 -7.427
282 HA3 GLY 42 2HA GLY 42 11.919 18.973 -8.599
283 HA PRO 43 HA PRO 43 9.528 19.252 -4.402
284 HB2 PRO 43 1HB PRO 43 10.812 20.481 -2.350
285 HB3 PRO 43 2HB PRO 43 10.906 18.739 -2.636
286 HG2 PRO 43 1HG PRO 43 12.860 20.886 -3.367
287 HG3 PRO 43 2HG PRO 43 13.167 19.279 -2.682
288 HD2 PRO 43 1HD PRO 43 13.482 19.826 -5.316
289 HD3 PRO 43 2HD PRO 43 12.967 18.232 -4.726
290 H SER 44 H SER 44 8.160 20.926 -3.781
291 HA SER 44 HA SER 44 8.987 23.682 -4.095
292 HB2 SER 44 1HB SER 44 7.021 22.369 -5.968
293 HB3 SER 44 2HB SER 44 7.018 24.109 -5.681
294 HG SER 44 HG SER 44 8.451 24.082 -7.231
295 H SER 45 H SER 45 7.068 25.176 -3.665
296 HA SER 45 HA SER 45 5.063 23.950 -1.920
297 HB2 SER 45 1HB SER 45 6.691 24.553 -0.306
298 HB3 SER 45 2HB SER 45 7.032 26.087 -1.107
299 HG SER 45 HG SER 45 5.213 25.543 0.789
300 H GLY 46 H GLY 46 3.200 25.258 -1.554
301 HA2 GLY 46 1HA GLY 46 1.743 27.035 -1.965
302 HA3 GLY 46 2HA GLY 46 2.975 27.781 -2.972
Start of MODEL 5
1 H1 GLY 1 H GLY 1 -6.938 -20.955 -7.814
2 HA2 GLY 1 1HA GLY 1 -5.424 -18.432 -7.967
3 HA3 GLY 1 2HA GLY 1 -7.041 -18.527 -8.649
4 H SER 2 H SER 2 -5.600 -19.697 -5.607
5 HA SER 2 HA SER 2 -7.937 -18.923 -4.128
6 HB2 SER 2 1HB SER 2 -6.587 -19.703 -2.150
7 HB3 SER 2 2HB SER 2 -6.783 -20.910 -3.420
8 HG SER 2 HG SER 2 -4.701 -20.615 -4.034
9 H SER 3 H SER 3 -8.213 -17.217 -2.770
10 HA SER 3 HA SER 3 -6.818 -14.844 -3.241
11 HB2 SER 3 1HB SER 3 -9.034 -14.681 -2.388
12 HB3 SER 3 2HB SER 3 -8.647 -15.684 -0.990
13 HG SER 3 HG SER 3 -8.736 -13.282 -0.726
14 H GLY 4 H GLY 4 -6.804 -16.773 -0.232
15 HA2 GLY 4 1HA GLY 4 -5.139 -17.139 1.310
16 HA3 GLY 4 2HA GLY 4 -3.989 -16.679 0.064
17 H SER 5 H SER 5 -5.334 -15.835 3.012
18 HA SER 5 HA SER 5 -3.760 -13.464 3.198
19 HB2 SER 5 1HB SER 5 -5.576 -12.434 1.994
20 HB3 SER 5 2HB SER 5 -6.768 -13.178 3.060
21 HG SER 5 HG SER 5 -4.824 -11.613 4.276
22 H SER 6 H SER 6 -3.538 -12.731 5.321
23 HA SER 6 HA SER 6 -4.427 -14.648 7.330
24 HB2 SER 6 1HB SER 6 -2.010 -13.834 7.101
25 HB3 SER 6 2HB SER 6 -2.574 -12.311 7.788
26 HG SER 6 HG SER 6 -3.217 -13.436 9.636
27 H GLY 7 H GLY 7 -6.643 -13.980 7.377
28 HA2 GLY 7 1HA GLY 7 -7.981 -12.919 9.147
29 HA3 GLY 7 2HA GLY 7 -7.030 -11.465 8.881
30 H SER 8 H SER 8 -9.877 -11.642 8.815
31 HA SER 8 HA SER 8 -10.460 -11.251 5.959
32 HB2 SER 8 1HB SER 8 -12.420 -11.602 8.240
33 HB3 SER 8 2HB SER 8 -12.801 -11.574 6.518
34 HG SER 8 HG SER 8 -12.679 -13.705 7.235
35 H GLY 9 H GLY 9 -9.691 -9.153 5.721
36 HA2 GLY 9 1HA GLY 9 -11.480 -7.067 6.220
37 HA3 GLY 9 2HA GLY 9 -10.263 -7.023 7.487
38 H GLU 10 H GLU 10 -10.991 -6.311 4.213
39 HA GLU 10 HA GLU 10 -8.228 -5.370 3.799
40 HB2 GLU 10 1HB GLU 10 -10.195 -6.643 1.958
41 HB3 GLU 10 2HB GLU 10 -9.117 -5.425 1.292
42 HG2 GLU 10 1HG GLU 10 -7.189 -6.686 1.927
43 HG3 GLU 10 2HG GLU 10 -8.179 -7.840 2.819
44 H LYS 11 H LYS 11 -8.199 -3.260 4.249
45 HA LYS 11 HA LYS 11 -10.486 -1.570 3.740
46 HB2 LYS 11 1HB LYS 11 -7.856 -1.270 5.096
47 HB3 LYS 11 2HB LYS 11 -8.613 0.191 4.476
48 HG2 LYS 11 1HG LYS 11 -9.494 0.184 6.564
49 HG3 LYS 11 2HG LYS 11 -10.713 -0.798 5.749
50 HD2 LYS 11 1HD LYS 11 -8.350 -2.178 6.915
51 HD3 LYS 11 2HD LYS 11 -9.586 -1.569 8.019
52 HE2 LYS 11 1HE LYS 11 -11.237 -2.767 6.411
53 HE3 LYS 11 2HE LYS 11 -9.809 -3.657 5.886
54 HZ1 LYS 11 3HZ LYS 11 -9.967 -3.562 8.720
55 HZ2 LYS 11 1HZ LYS 11 -9.894 -4.908 7.698
56 HZ3 LYS 11 2HZ LYS 11 -11.388 -4.208 8.070
57 HA PRO 12 HA PRO 12 -9.347 -0.058 -0.222
58 HB2 PRO 12 1HB PRO 12 -10.320 2.474 -0.099
59 HB3 PRO 12 2HB PRO 12 -11.359 1.051 -0.238
60 HG2 PRO 12 1HG PRO 12 -10.648 2.647 2.193
61 HG3 PRO 12 2HG PRO 12 -12.224 1.996 1.703
62 HD2 PRO 12 1HD PRO 12 -10.666 0.794 3.564
63 HD3 PRO 12 2HD PRO 12 -11.732 -0.119 2.476
64 H PHE 13 H PHE 13 -8.555 2.032 2.531
65 HA PHE 13 HA PHE 13 -6.499 3.421 1.045
66 HB2 PHE 13 1HB PHE 13 -7.007 3.558 4.018
67 HB3 PHE 13 2HB PHE 13 -6.192 4.748 3.008
68 HD1 PHE 13 HD1 PHE 13 -7.603 5.867 1.167
69 HD2 PHE 13 HD2 PHE 13 -9.261 3.779 4.484
70 HE1 PHE 13 HE1 PHE 13 -9.733 7.055 0.845
71 HE2 PHE 13 HE2 PHE 13 -11.394 4.963 4.167
72 HZ PHE 13 HZ PHE 13 -11.633 6.603 2.346
73 H GLN 14 H GLN 14 -4.768 2.204 0.555
74 HA GLN 14 HA GLN 14 -3.445 0.779 2.769
75 HB2 GLN 14 1HB GLN 14 -3.663 0.006 -0.139
76 HB3 GLN 14 2HB GLN 14 -2.512 -0.734 0.966
77 HG2 GLN 14 1HG GLN 14 -4.513 -1.308 2.421
78 HG3 GLN 14 2HG GLN 14 -5.506 -0.869 1.032
79 HE21 GLN 14 1HE2 GLN 14 -2.775 -2.921 1.957
80 HE22 GLN 14 2HE2 GLN 14 -3.170 -4.226 0.896
81 H CYS 15 H CYS 15 -1.229 0.964 2.952
82 HA CYS 15 HA CYS 15 -0.068 3.349 1.945
83 HB2 CYS 15 1HB CYS 15 0.448 2.008 4.127
84 HB3 CYS 15 2HB CYS 15 1.564 1.113 3.102
85 H GLU 16 H GLU 16 2.196 3.269 0.924
86 HA GLU 16 HA GLU 16 2.122 1.367 -1.325
87 HB2 GLU 16 1HB GLU 16 2.736 4.273 -1.171
88 HB3 GLU 16 2HB GLU 16 3.661 3.313 -2.317
89 HG2 GLU 16 1HG GLU 16 0.679 3.672 -2.221
90 HG3 GLU 16 2HG GLU 16 1.794 4.245 -3.460
91 H GLU 17 H GLU 17 3.983 2.659 1.272
92 HA GLU 17 HA GLU 17 6.451 1.443 0.286
93 HB2 GLU 17 1HB GLU 17 5.886 3.177 2.695
94 HB3 GLU 17 2HB GLU 17 7.464 2.500 2.320
95 HG2 GLU 17 1HG GLU 17 5.907 4.446 0.634
96 HG3 GLU 17 2HG GLU 17 7.341 4.798 1.596
97 H CYS 18 H CYS 18 3.920 0.946 2.600
98 HA CYS 18 HA CYS 18 5.217 -1.556 3.428
99 HB2 CYS 18 1HB CYS 18 4.602 -1.239 5.722
100 HB3 CYS 18 2HB CYS 18 5.457 0.209 5.201
101 H GLY 19 H GLY 19 2.680 -0.176 1.924
102 HA2 GLY 19 1HA GLY 19 0.431 -0.713 1.656
103 HA3 GLY 19 2HA GLY 19 1.144 -2.301 1.416
104 H LYS 20 H LYS 20 -0.147 -0.131 3.900
105 HA LYS 20 HA LYS 20 -0.753 -2.482 5.560
106 HB2 LYS 20 1HB LYS 20 -0.113 0.352 6.156
107 HB3 LYS 20 2HB LYS 20 -1.300 -0.419 7.200
108 HG2 LYS 20 1HG LYS 20 0.494 -2.314 7.344
109 HG3 LYS 20 2HG LYS 20 1.594 -1.026 6.847
110 HD2 LYS 20 1HD LYS 20 0.832 0.340 8.740
111 HD3 LYS 20 2HD LYS 20 -0.244 -0.966 9.241
112 HE2 LYS 20 1HE LYS 20 1.694 -1.139 10.589
113 HE3 LYS 20 2HE LYS 20 1.800 -2.433 9.397
114 HZ1 LYS 20 3HZ LYS 20 3.897 -1.554 9.309
115 HZ2 LYS 20 1HZ LYS 20 3.385 0.030 9.611
116 HZ3 LYS 20 2HZ LYS 20 3.149 -0.658 8.084
117 H ARG 21 H ARG 21 -2.784 -1.753 7.079
118 HA ARG 21 HA ARG 21 -4.939 -1.064 5.190
119 HB2 ARG 21 1HB ARG 21 -4.873 -3.081 7.428
120 HB3 ARG 21 2HB ARG 21 -6.381 -2.496 6.740
121 HG2 ARG 21 1HG ARG 21 -6.064 -3.588 4.757
122 HG3 ARG 21 2HG ARG 21 -4.306 -3.570 4.903
123 HD2 ARG 21 1HD ARG 21 -6.184 -5.258 6.553
124 HD3 ARG 21 2HD ARG 21 -5.247 -5.827 5.172
125 HE ARG 21 HE ARG 21 -3.595 -4.633 7.167
126 HH11 ARG 21 1HH1 ARG 21 -5.302 -7.545 6.315
127 HH12 ARG 21 2HH1 ARG 21 -4.261 -8.580 7.236
128 HH21 ARG 21 1HH2 ARG 21 -2.218 -5.984 8.383
129 HH22 ARG 21 2HH2 ARG 21 -2.508 -7.691 8.412
130 H PHE 22 H PHE 22 -6.424 0.430 5.794
131 HA PHE 22 HA PHE 22 -6.604 1.308 8.551
132 HB2 PHE 22 1HB PHE 22 -5.887 3.315 6.410
133 HB3 PHE 22 2HB PHE 22 -6.040 3.606 8.140
134 HD1 PHE 22 HD2 PHE 22 -3.942 2.180 5.502
135 HD2 PHE 22 HD1 PHE 22 -4.286 2.993 9.666
136 HE1 PHE 22 HE2 PHE 22 -1.539 1.736 5.785
137 HE2 PHE 22 HE1 PHE 22 -1.883 2.551 9.955
138 HZ PHE 22 HZ PHE 22 -0.506 1.920 8.013
139 H THR 23 H THR 23 -8.563 2.183 9.046
140 HA THR 23 HA THR 23 -10.548 2.187 6.889
141 HB THR 23 HB THR 23 -11.274 2.433 9.786
142 HG1 THR 23 HG1 THR 23 -10.007 0.646 9.905
143 HG21 THR 23 3HG2 THR 23 -12.555 1.383 7.284
144 HG22 THR 23 1HG2 THR 23 -13.152 2.602 8.409
145 HG23 THR 23 2HG2 THR 23 -13.144 0.901 8.875
146 H GLN 24 H GLN 24 -8.732 4.396 7.165
147 HA GLN 24 HA GLN 24 -10.635 6.532 7.159
148 HB2 GLN 24 1HB GLN 24 -8.836 6.139 9.496
149 HB3 GLN 24 2HB GLN 24 -9.061 7.782 8.912
150 HG2 GLN 24 1HG GLN 24 -11.608 7.080 9.012
151 HG3 GLN 24 2HG GLN 24 -10.990 5.944 10.210
152 HE21 GLN 24 1HE2 GLN 24 -11.789 9.195 9.516
153 HE22 GLN 24 2HE2 GLN 24 -11.403 9.860 11.063
154 H ASN 25 H ASN 25 -10.013 7.417 5.297
155 HA ASN 25 HA ASN 25 -7.644 7.299 3.991
156 HB2 ASN 25 1HB ASN 25 -8.393 9.016 2.627
157 HB3 ASN 25 2HB ASN 25 -9.899 8.482 3.368
158 HD21 ASN 25 1HD2 ASN 25 -7.808 11.071 2.834
159 HD22 ASN 25 2HD2 ASN 25 -8.582 12.230 3.855
160 H SER 26 H SER 26 -8.509 9.645 6.496
161 HA SER 26 HA SER 26 -6.219 11.244 6.352
162 HB2 SER 26 1HB SER 26 -8.185 10.642 8.542
163 HB3 SER 26 2HB SER 26 -6.773 11.647 8.865
164 HG SER 26 HG SER 26 -9.057 12.363 7.739
165 H HIS 27 H HIS 27 -6.899 8.447 8.445
166 HA HIS 27 HA HIS 27 -4.581 8.338 9.903
167 HB2 HIS 27 1HB HIS 27 -6.331 6.149 8.805
168 HB3 HIS 27 2HB HIS 27 -4.924 5.782 9.798
169 HD1 HIS 27 HD1 HIS 27 -5.938 5.069 11.957
170 HD2 HIS 27 HD2 HIS 27 -7.614 8.590 10.522
171 HE1 HIS 27 HE1 HIS 27 -7.474 5.874 13.778
172 H LEU 28 H LEU 28 -5.109 7.202 6.602
173 HA LEU 28 HA LEU 28 -2.589 5.960 6.279
174 HB2 LEU 28 1HB LEU 28 -4.189 5.309 4.732
175 HB3 LEU 28 2HB LEU 28 -4.697 6.966 4.413
176 HG LEU 28 HG LEU 28 -2.538 7.326 3.217
177 HD11 LEU 28 1HD1 LEU 28 -1.073 5.730 4.076
178 HD12 LEU 28 2HD1 LEU 28 -1.442 5.138 2.457
179 HD13 LEU 28 3HD1 LEU 28 -2.228 4.415 3.860
180 HD21 LEU 28 3HD2 LEU 28 -4.194 5.054 2.128
181 HD22 LEU 28 1HD2 LEU 28 -3.219 6.198 1.205
182 HD23 LEU 28 2HD2 LEU 28 -4.656 6.755 2.063
183 H HIS 29 H HIS 29 -3.775 9.089 5.034
184 HA HIS 29 HA HIS 29 -1.442 10.048 3.948
185 HB2 HIS 29 1HB HIS 29 -3.797 11.381 5.225
186 HB3 HIS 29 2HB HIS 29 -2.404 12.359 4.770
187 HD1 HIS 29 HD1 HIS 29 -2.040 12.811 2.290
188 HD2 HIS 29 HD2 HIS 29 -5.208 10.232 3.048
189 HE1 HIS 29 HE1 HIS 29 -3.259 12.581 0.102
190 H SER 30 H SER 30 -2.545 10.451 7.307
191 HA SER 30 HA SER 30 -0.176 11.805 8.136
192 HB2 SER 30 1HB SER 30 -1.070 11.600 10.388
193 HB3 SER 30 2HB SER 30 -2.369 12.053 9.284
194 HG SER 30 HG SER 30 -2.252 9.405 9.365
195 H HIS 31 H HIS 31 -0.959 8.534 7.604
196 HA HIS 31 HA HIS 31 1.007 7.470 9.445
197 HB2 HIS 31 1HB HIS 31 -0.699 5.942 9.260
198 HB3 HIS 31 2HB HIS 31 -1.005 6.326 7.569
199 HD1 HIS 31 HD1 HIS 31 0.893 4.034 9.763
200 HD2 HIS 31 HD2 HIS 31 0.710 4.989 5.724
201 HE1 HIS 31 HE1 HIS 31 2.117 2.184 8.579
202 H GLN 32 H GLN 32 0.852 8.494 6.159
203 HA GLN 32 HA GLN 32 2.943 6.972 5.060
204 HB2 GLN 32 1HB GLN 32 1.723 9.627 4.376
205 HB3 GLN 32 2HB GLN 32 3.140 9.052 3.509
206 HG2 GLN 32 1HG GLN 32 1.961 7.112 2.745
207 HG3 GLN 32 2HG GLN 32 0.568 7.512 3.748
208 HE21 GLN 32 1HE2 GLN 32 -0.411 7.227 1.537
209 HE22 GLN 32 2HE2 GLN 32 -0.544 8.643 0.556
210 H ARG 33 H ARG 33 2.937 9.747 7.144
211 HA ARG 33 HA ARG 33 5.569 10.651 6.649
212 HB2 ARG 33 1HB ARG 33 3.817 10.916 9.097
213 HB3 ARG 33 2HB ARG 33 5.346 11.758 8.879
214 HG2 ARG 33 1HG ARG 33 4.314 12.698 6.737
215 HG3 ARG 33 2HG ARG 33 2.775 12.129 7.387
216 HD2 ARG 33 1HD ARG 33 3.309 13.431 9.477
217 HD3 ARG 33 2HD ARG 33 4.661 14.141 8.595
218 HE ARG 33 HE ARG 33 2.520 14.592 6.983
219 HH11 ARG 33 1HH1 ARG 33 3.236 15.268 10.322
220 HH12 ARG 33 2HH1 ARG 33 2.258 16.698 10.378
221 HH21 ARG 33 1HH2 ARG 33 1.229 16.472 7.044
222 HH22 ARG 33 2HH2 ARG 33 1.116 17.381 8.513
223 H VAL 34 H VAL 34 4.334 7.937 8.334
224 HA VAL 34 HA VAL 34 6.261 7.493 10.289
225 HB VAL 34 HB VAL 34 4.092 6.161 9.721
226 HG11 VAL 34 1HG1 VAL 34 4.988 5.483 7.470
227 HG12 VAL 34 2HG1 VAL 34 6.107 4.416 8.321
228 HG13 VAL 34 3HG1 VAL 34 4.366 4.166 8.463
229 HG21 VAL 34 3HG2 VAL 34 4.933 5.392 11.662
230 HG22 VAL 34 1HG2 VAL 34 5.483 4.037 10.676
231 HG23 VAL 34 2HG2 VAL 34 6.587 5.360 11.052
232 H HIS 35 H HIS 35 6.509 7.296 6.863
233 HA HIS 35 HA HIS 35 9.091 5.902 7.076
234 HB2 HIS 35 1HB HIS 35 7.654 6.411 4.487
235 HB3 HIS 35 2HB HIS 35 8.838 5.164 4.866
236 HD1 HIS 35 HD1 HIS 35 7.937 3.218 6.509
237 HD2 HIS 35 HD2 HIS 35 5.056 5.629 4.736
238 HE1 HIS 35 HE1 HIS 35 5.773 1.958 6.737
239 H THR 36 H THR 36 8.376 8.826 7.518
240 HA THR 36 HA THR 36 9.373 10.415 5.452
241 HB THR 36 HB THR 36 8.185 11.399 7.329
242 HG1 THR 36 HG1 THR 36 10.177 12.447 6.177
243 HG21 THR 36 3HG2 THR 36 8.663 10.964 9.464
244 HG22 THR 36 1HG2 THR 36 10.340 11.462 9.251
245 HG23 THR 36 2HG2 THR 36 9.861 9.804 8.892
246 H GLY 37 H GLY 37 11.405 11.387 5.106
247 HA2 GLY 37 1HA GLY 37 13.695 10.515 6.647
248 HA3 GLY 37 2HA GLY 37 13.622 9.855 5.020
249 H GLU 38 H GLU 38 12.696 11.951 3.548
250 HA GLU 38 HA GLU 38 15.033 13.629 3.444
251 HB2 GLU 38 1HB GLU 38 13.650 12.666 1.468
252 HB3 GLU 38 2HB GLU 38 12.579 14.030 1.760
253 HG2 GLU 38 1HG GLU 38 14.768 15.428 1.617
254 HG3 GLU 38 2HG GLU 38 15.393 14.009 0.778
255 H LYS 39 H LYS 39 15.228 15.723 4.021
256 HA LYS 39 HA LYS 39 13.027 16.889 5.544
257 HB2 LYS 39 1HB LYS 39 14.685 18.457 6.394
258 HB3 LYS 39 2HB LYS 39 15.261 16.805 6.575
259 HG2 LYS 39 1HG LYS 39 17.147 17.773 5.767
260 HG3 LYS 39 2HG LYS 39 16.386 17.319 4.241
261 HD2 LYS 39 1HD LYS 39 15.302 19.676 4.379
262 HD3 LYS 39 2HD LYS 39 16.604 20.016 5.522
263 HE2 LYS 39 1HE LYS 39 17.204 18.795 2.856
264 HE3 LYS 39 2HE LYS 39 16.947 20.533 3.002
265 HZ1 LYS 39 3HZ LYS 39 18.871 20.817 4.127
266 HZ2 LYS 39 1HZ LYS 39 19.317 19.421 3.282
267 HZ3 LYS 39 2HZ LYS 39 18.802 19.308 4.889
268 HA PRO 40 HA PRO 40 11.883 19.806 2.465
269 HB2 PRO 40 1HB PRO 40 11.024 21.855 4.025
270 HB3 PRO 40 2HB PRO 40 10.115 20.352 3.827
271 HG2 PRO 40 1HG PRO 40 11.925 21.190 6.059
272 HG3 PRO 40 2HG PRO 40 10.349 20.382 6.141
273 HD2 PRO 40 1HD PRO 40 12.687 19.044 6.410
274 HD3 PRO 40 2HD PRO 40 11.246 18.310 5.678
275 H SER 41 H SER 41 13.178 20.999 1.230
276 HA SER 41 HA SER 41 15.558 22.200 2.189
277 HB2 SER 41 1HB SER 41 15.928 22.908 -0.063
278 HB3 SER 41 2HB SER 41 15.144 21.332 -0.158
279 HG SER 41 HG SER 41 14.051 22.607 -1.564
280 H GLY 42 H GLY 42 16.136 24.453 2.126
281 HA2 GLY 42 1HA GLY 42 14.355 26.122 3.485
282 HA3 GLY 42 2HA GLY 42 15.815 26.660 2.667
283 HA PRO 43 HA PRO 43 11.715 27.784 0.389
284 HB2 PRO 43 1HB PRO 43 11.042 30.120 1.598
285 HB3 PRO 43 2HB PRO 43 10.413 28.552 2.120
286 HG2 PRO 43 1HG PRO 43 12.659 30.169 3.264
287 HG3 PRO 43 2HG PRO 43 11.373 29.286 4.107
288 HD2 PRO 43 1HD PRO 43 13.878 28.298 3.831
289 HD3 PRO 43 2HD PRO 43 12.441 27.257 3.877
290 H SER 44 H SER 44 12.923 28.271 -1.402
291 HA SER 44 HA SER 44 14.056 30.985 -1.498
292 HB2 SER 44 1HB SER 44 15.279 28.428 -2.538
293 HB3 SER 44 2HB SER 44 15.789 30.019 -3.100
294 HG SER 44 HG SER 44 16.151 30.494 -0.806
295 H SER 45 H SER 45 12.169 31.736 -2.500
296 HA SER 45 HA SER 45 11.201 30.514 -4.921
297 HB2 SER 45 1HB SER 45 9.587 31.590 -3.487
298 HB3 SER 45 2HB SER 45 10.487 33.105 -3.530
299 HG SER 45 HG SER 45 9.069 33.473 -5.078
300 H GLY 46 H GLY 46 11.400 31.265 -7.010
301 HA2 GLY 46 1HA GLY 46 13.568 33.223 -7.416
302 HA3 GLY 46 2HA GLY 46 13.149 31.939 -8.540
Start of MODEL 6
1 H1 GLY 1 H GLY 1 -9.517 -10.357 5.458
2 HA2 GLY 1 1HA GLY 1 -9.264 -13.237 4.940
3 HA3 GLY 1 2HA GLY 1 -8.160 -12.486 6.083
4 H SER 2 H SER 2 -8.813 -13.483 7.930
5 HA SER 2 HA SER 2 -11.500 -12.782 8.879
6 HB2 SER 2 1HB SER 2 -11.827 -15.008 9.816
7 HB3 SER 2 2HB SER 2 -11.544 -15.131 8.080
8 HG SER 2 HG SER 2 -9.304 -15.273 9.713
9 H SER 3 H SER 3 -11.048 -11.406 10.480
10 HA SER 3 HA SER 3 -9.624 -12.355 12.793
11 HB2 SER 3 1HB SER 3 -7.685 -11.589 11.642
12 HB3 SER 3 2HB SER 3 -8.498 -10.120 11.103
13 HG SER 3 HG SER 3 -7.654 -10.795 13.719
14 H GLY 4 H GLY 4 -10.743 -11.680 14.493
15 HA2 GLY 4 1HA GLY 4 -12.762 -9.657 14.226
16 HA3 GLY 4 2HA GLY 4 -12.364 -10.549 15.688
17 H SER 5 H SER 5 -11.009 -8.022 13.574
18 HA SER 5 HA SER 5 -10.548 -6.328 15.873
19 HB2 SER 5 1HB SER 5 -8.162 -6.067 15.534
20 HB3 SER 5 2HB SER 5 -8.517 -7.777 15.775
21 HG SER 5 HG SER 5 -7.445 -6.517 13.617
22 H SER 6 H SER 6 -9.523 -4.204 15.147
23 HA SER 6 HA SER 6 -11.076 -2.831 13.435
24 HB2 SER 6 1HB SER 6 -8.241 -2.485 14.276
25 HB3 SER 6 2HB SER 6 -8.818 -1.483 12.944
26 HG SER 6 HG SER 6 -9.830 -0.316 14.353
27 H GLY 7 H GLY 7 -11.718 -3.663 11.518
28 HA2 GLY 7 1HA GLY 7 -11.116 -3.403 9.132
29 HA3 GLY 7 2HA GLY 7 -9.595 -4.189 9.528
30 H SER 8 H SER 8 -13.104 -4.715 9.495
31 HA SER 8 HA SER 8 -12.829 -7.572 9.628
32 HB2 SER 8 1HB SER 8 -15.273 -7.597 9.301
33 HB3 SER 8 2HB SER 8 -14.806 -6.461 10.566
34 HG SER 8 HG SER 8 -15.840 -5.977 8.021
35 H GLY 9 H GLY 9 -11.471 -8.034 7.844
36 HA2 GLY 9 1HA GLY 9 -11.836 -9.225 5.731
37 HA3 GLY 9 2HA GLY 9 -12.877 -7.894 5.249
38 H GLU 10 H GLU 10 -12.003 -6.097 4.322
39 HA GLU 10 HA GLU 10 -9.101 -5.789 4.289
40 HB2 GLU 10 1HB GLU 10 -9.036 -5.581 1.846
41 HB3 GLU 10 2HB GLU 10 -9.567 -7.182 2.340
42 HG2 GLU 10 1HG GLU 10 -11.850 -6.642 1.838
43 HG3 GLU 10 2HG GLU 10 -11.420 -4.966 1.502
44 H LYS 11 H LYS 11 -8.403 -3.699 3.516
45 HA LYS 11 HA LYS 11 -10.522 -1.659 3.710
46 HB2 LYS 11 1HB LYS 11 -7.695 -1.664 4.747
47 HB3 LYS 11 2HB LYS 11 -8.594 -0.168 4.523
48 HG2 LYS 11 1HG LYS 11 -9.421 -2.465 6.287
49 HG3 LYS 11 2HG LYS 11 -8.697 -0.950 6.830
50 HD2 LYS 11 1HD LYS 11 -10.633 0.250 5.796
51 HD3 LYS 11 2HD LYS 11 -11.373 -1.323 5.490
52 HE2 LYS 11 1HE LYS 11 -11.172 -1.777 7.955
53 HE3 LYS 11 2HE LYS 11 -10.695 -0.091 8.155
54 HZ1 LYS 11 3HZ LYS 11 -13.273 -1.059 7.041
55 HZ2 LYS 11 1HZ LYS 11 -12.815 0.566 7.160
56 HZ3 LYS 11 2HZ LYS 11 -13.043 -0.353 8.561
57 HA PRO 12 HA PRO 12 -9.363 -0.303 -0.314
58 HB2 PRO 12 1HB PRO 12 -10.275 2.251 -0.189
59 HB3 PRO 12 2HB PRO 12 -11.348 0.854 -0.333
60 HG2 PRO 12 1HG PRO 12 -10.604 2.428 2.102
61 HG3 PRO 12 2HG PRO 12 -12.193 1.817 1.608
62 HD2 PRO 12 1HD PRO 12 -10.669 0.575 3.470
63 HD3 PRO 12 2HD PRO 12 -11.754 -0.311 2.379
64 H PHE 13 H PHE 13 -8.658 1.988 2.325
65 HA PHE 13 HA PHE 13 -6.497 3.204 0.869
66 HB2 PHE 13 1HB PHE 13 -7.135 3.500 3.807
67 HB3 PHE 13 2HB PHE 13 -6.204 4.604 2.800
68 HD1 PHE 13 HD1 PHE 13 -7.317 6.052 1.185
69 HD2 PHE 13 HD2 PHE 13 -9.530 3.491 3.766
70 HE1 PHE 13 HE1 PHE 13 -9.364 7.320 0.682
71 HE2 PHE 13 HE2 PHE 13 -11.581 4.755 3.266
72 HZ PHE 13 HZ PHE 13 -11.500 6.672 1.722
73 H GLN 14 H GLN 14 -4.576 2.287 0.640
74 HA GLN 14 HA GLN 14 -3.385 0.897 2.928
75 HB2 GLN 14 1HB GLN 14 -3.417 -0.186 0.106
76 HB3 GLN 14 2HB GLN 14 -2.553 -0.895 1.464
77 HG2 GLN 14 1HG GLN 14 -4.894 -0.979 2.577
78 HG3 GLN 14 2HG GLN 14 -5.486 -0.811 0.925
79 HE21 GLN 14 1HE2 GLN 14 -2.876 -2.623 2.514
80 HE22 GLN 14 2HE2 GLN 14 -3.287 -4.152 1.822
81 H CYS 15 H CYS 15 -1.235 1.242 3.194
82 HA CYS 15 HA CYS 15 -0.011 3.445 2.024
83 HB2 CYS 15 1HB CYS 15 0.571 2.003 4.169
84 HB3 CYS 15 2HB CYS 15 1.692 1.222 3.060
85 H GLU 16 H GLU 16 2.282 3.212 0.969
86 HA GLU 16 HA GLU 16 2.028 1.337 -1.291
87 HB2 GLU 16 1HB GLU 16 2.749 4.227 -1.190
88 HB3 GLU 16 2HB GLU 16 3.548 3.221 -2.390
89 HG2 GLU 16 1HG GLU 16 1.510 4.394 -3.202
90 HG3 GLU 16 2HG GLU 16 1.481 2.643 -3.405
91 H GLU 17 H GLU 17 3.997 2.535 1.249
92 HA GLU 17 HA GLU 17 6.397 1.260 0.155
93 HB2 GLU 17 1HB GLU 17 5.984 3.090 2.521
94 HB3 GLU 17 2HB GLU 17 7.520 2.321 2.148
95 HG2 GLU 17 1HG GLU 17 7.361 3.430 -0.123
96 HG3 GLU 17 2HG GLU 17 6.040 4.383 0.550
97 H CYS 18 H CYS 18 3.940 0.862 2.550
98 HA CYS 18 HA CYS 18 5.235 -1.628 3.422
99 HB2 CYS 18 1HB CYS 18 4.604 -1.249 5.715
100 HB3 CYS 18 2HB CYS 18 5.510 0.153 5.154
101 H GLY 19 H GLY 19 2.675 -0.265 1.924
102 HA2 GLY 19 1HA GLY 19 0.435 -0.820 1.661
103 HA3 GLY 19 2HA GLY 19 1.137 -2.422 1.498
104 H LYS 20 H LYS 20 -0.256 -0.141 3.801
105 HA LYS 20 HA LYS 20 -0.822 -2.394 5.609
106 HB2 LYS 20 1HB LYS 20 -0.227 0.480 6.048
107 HB3 LYS 20 2HB LYS 20 -1.406 -0.255 7.127
108 HG2 LYS 20 1HG LYS 20 0.471 -2.113 7.311
109 HG3 LYS 20 2HG LYS 20 1.504 -0.753 6.867
110 HD2 LYS 20 1HD LYS 20 1.487 -0.653 9.187
111 HD3 LYS 20 2HD LYS 20 0.237 0.510 8.738
112 HE2 LYS 20 1HE LYS 20 -0.769 -0.720 10.432
113 HE3 LYS 20 2HE LYS 20 -1.384 -1.481 8.966
114 HZ1 LYS 20 3HZ LYS 20 -0.717 -3.339 10.014
115 HZ2 LYS 20 1HZ LYS 20 0.410 -2.538 10.989
116 HZ3 LYS 20 2HZ LYS 20 0.802 -2.930 9.391
117 H ARG 21 H ARG 21 -2.873 -1.545 7.073
118 HA ARG 21 HA ARG 21 -5.009 -0.922 5.141
119 HB2 ARG 21 1HB ARG 21 -5.074 -2.924 7.405
120 HB3 ARG 21 2HB ARG 21 -6.481 -2.435 6.471
121 HG2 ARG 21 1HG ARG 21 -5.764 -3.528 4.567
122 HG3 ARG 21 2HG ARG 21 -4.077 -3.534 5.084
123 HD2 ARG 21 1HD ARG 21 -6.078 -5.014 6.717
124 HD3 ARG 21 2HD ARG 21 -5.556 -5.715 5.185
125 HE ARG 21 HE ARG 21 -4.018 -5.489 7.603
126 HH11 ARG 21 1HH1 ARG 21 -3.880 -5.790 4.137
127 HH12 ARG 21 2HH1 ARG 21 -2.295 -6.491 4.131
128 HH21 ARG 21 1HH2 ARG 21 -1.931 -6.411 7.607
129 HH22 ARG 21 2HH2 ARG 21 -1.188 -6.844 6.105
130 H PHE 22 H PHE 22 -6.471 0.583 5.737
131 HA PHE 22 HA PHE 22 -6.527 1.469 8.532
132 HB2 PHE 22 1HB PHE 22 -6.247 3.321 6.155
133 HB3 PHE 22 2HB PHE 22 -6.473 3.827 7.826
134 HD1 PHE 22 HD2 PHE 22 -4.142 2.235 5.465
135 HD2 PHE 22 HD1 PHE 22 -4.663 3.873 9.359
136 HE1 PHE 22 HE2 PHE 22 -1.704 2.217 5.795
137 HE2 PHE 22 HE1 PHE 22 -2.225 3.859 9.694
138 HZ PHE 22 HZ PHE 22 -0.742 3.029 7.912
139 H THR 23 H THR 23 -8.431 2.724 9.082
140 HA THR 23 HA THR 23 -10.753 1.818 7.561
141 HB THR 23 HB THR 23 -10.881 1.361 9.915
142 HG1 THR 23 HG1 THR 23 -12.861 1.974 9.069
143 HG21 THR 23 3HG2 THR 23 -9.630 3.929 10.153
144 HG22 THR 23 1HG2 THR 23 -9.852 2.685 11.383
145 HG23 THR 23 2HG2 THR 23 -11.104 3.899 11.120
146 H GLN 24 H GLN 24 -8.821 4.533 7.765
147 HA GLN 24 HA GLN 24 -10.800 6.123 6.350
148 HB2 GLN 24 1HB GLN 24 -10.802 6.577 8.935
149 HB3 GLN 24 2HB GLN 24 -9.338 7.484 8.579
150 HG2 GLN 24 1HG GLN 24 -10.471 9.030 7.257
151 HG3 GLN 24 2HG GLN 24 -11.872 7.976 7.064
152 HE21 GLN 24 1HE2 GLN 24 -12.840 10.136 7.694
153 HE22 GLN 24 2HE2 GLN 24 -13.119 10.390 9.380
154 H ASN 25 H ASN 25 -9.911 7.709 5.015
155 HA ASN 25 HA ASN 25 -7.370 7.183 3.968
156 HB2 ASN 25 1HB ASN 25 -7.805 8.859 2.436
157 HB3 ASN 25 2HB ASN 25 -9.437 8.471 2.972
158 HD21 ASN 25 1HD2 ASN 25 -10.301 9.809 4.744
159 HD22 ASN 25 2HD2 ASN 25 -9.884 11.486 4.773
160 H SER 26 H SER 26 -8.470 9.806 6.099
161 HA SER 26 HA SER 26 -6.150 11.272 6.300
162 HB2 SER 26 1HB SER 26 -8.277 10.686 8.360
163 HB3 SER 26 2HB SER 26 -6.959 11.820 8.656
164 HG SER 26 HG SER 26 -8.017 13.234 7.537
165 H HIS 27 H HIS 27 -7.084 8.424 8.203
166 HA HIS 27 HA HIS 27 -4.957 8.310 9.959
167 HB2 HIS 27 1HB HIS 27 -6.694 6.214 8.707
168 HB3 HIS 27 2HB HIS 27 -5.329 5.725 9.707
169 HD1 HIS 27 HD1 HIS 27 -8.744 6.039 10.061
170 HD2 HIS 27 HD2 HIS 27 -5.562 7.533 12.276
171 HE1 HIS 27 HE1 HIS 27 -9.689 6.549 12.335
172 H LEU 28 H LEU 28 -5.076 7.446 6.573
173 HA LEU 28 HA LEU 28 -2.500 6.152 6.591
174 HB2 LEU 28 1HB LEU 28 -4.001 5.323 4.990
175 HB3 LEU 28 2HB LEU 28 -4.442 6.940 4.444
176 HG LEU 28 HG LEU 28 -2.064 7.121 3.556
177 HD11 LEU 28 1HD1 LEU 28 -1.206 4.742 2.964
178 HD12 LEU 28 2HD1 LEU 28 -2.147 4.248 4.371
179 HD13 LEU 28 3HD1 LEU 28 -0.850 5.430 4.549
180 HD21 LEU 28 3HD2 LEU 28 -3.047 6.734 1.604
181 HD22 LEU 28 1HD2 LEU 28 -4.411 6.028 2.470
182 HD23 LEU 28 2HD2 LEU 28 -3.088 4.999 1.921
183 H HIS 29 H HIS 29 -3.791 9.165 5.191
184 HA HIS 29 HA HIS 29 -1.559 10.241 4.073
185 HB2 HIS 29 1HB HIS 29 -3.909 11.431 5.464
186 HB3 HIS 29 2HB HIS 29 -2.556 12.495 5.091
187 HD1 HIS 29 HD1 HIS 29 -3.823 13.812 3.305
188 HD2 HIS 29 HD2 HIS 29 -3.647 9.731 2.546
189 HE1 HIS 29 HE1 HIS 29 -4.618 13.534 0.935
190 H SER 30 H SER 30 -2.444 10.397 7.507
191 HA SER 30 HA SER 30 -0.092 11.848 8.249
192 HB2 SER 30 1HB SER 30 -0.826 11.441 10.558
193 HB3 SER 30 2HB SER 30 -2.170 11.999 9.562
194 HG SER 30 HG SER 30 -3.125 10.274 10.286
195 H HIS 31 H HIS 31 -1.013 8.472 8.107
196 HA HIS 31 HA HIS 31 1.128 7.431 9.633
197 HB2 HIS 31 1HB HIS 31 -0.526 5.857 9.367
198 HB3 HIS 31 2HB HIS 31 -0.849 6.320 7.699
199 HD1 HIS 31 HD1 HIS 31 1.360 4.136 9.781
200 HD2 HIS 31 HD2 HIS 31 0.684 4.994 5.772
201 HE1 HIS 31 HE1 HIS 31 2.590 2.359 8.496
202 H GLN 32 H GLN 32 0.917 8.634 6.411
203 HA GLN 32 HA GLN 32 3.053 7.254 5.217
204 HB2 GLN 32 1HB GLN 32 1.684 9.863 4.691
205 HB3 GLN 32 2HB GLN 32 3.166 9.480 3.826
206 HG2 GLN 32 1HG GLN 32 2.202 7.798 2.626
207 HG3 GLN 32 2HG GLN 32 1.004 7.447 3.871
208 HE21 GLN 32 1HE2 GLN 32 -0.226 7.420 1.721
209 HE22 GLN 32 2HE2 GLN 32 -0.998 8.902 1.281
210 H ARG 33 H ARG 33 3.043 9.501 7.734
211 HA ARG 33 HA ARG 33 5.507 10.821 7.244
212 HB2 ARG 33 1HB ARG 33 3.678 10.499 9.570
213 HB3 ARG 33 2HB ARG 33 5.327 11.015 9.897
214 HG2 ARG 33 1HG ARG 33 3.774 12.900 9.667
215 HG3 ARG 33 2HG ARG 33 5.056 12.931 8.454
216 HD2 ARG 33 1HD ARG 33 3.530 11.974 6.807
217 HD3 ARG 33 2HD ARG 33 2.252 11.907 8.020
218 HE ARG 33 HE ARG 33 3.047 14.179 6.496
219 HH11 ARG 33 1HH1 ARG 33 1.786 13.189 9.587
220 HH12 ARG 33 2HH1 ARG 33 0.990 14.697 9.891
221 HH21 ARG 33 1HH2 ARG 33 2.003 16.169 6.886
222 HH22 ARG 33 2HH2 ARG 33 1.113 16.391 8.354
223 H VAL 34 H VAL 34 4.645 7.761 8.671
224 HA VAL 34 HA VAL 34 6.939 7.186 10.136
225 HB VAL 34 HB VAL 34 6.384 4.844 9.896
226 HG11 VAL 34 1HG1 VAL 34 3.955 4.934 10.522
227 HG12 VAL 34 2HG1 VAL 34 5.003 6.019 11.439
228 HG13 VAL 34 3HG1 VAL 34 3.991 6.656 10.142
229 HG21 VAL 34 3HG2 VAL 34 5.175 5.769 7.407
230 HG22 VAL 34 1HG2 VAL 34 5.773 4.171 7.852
231 HG23 VAL 34 2HG2 VAL 34 4.145 4.665 8.317
232 H HIS 35 H HIS 35 6.484 7.386 6.728
233 HA HIS 35 HA HIS 35 9.135 6.182 6.279
234 HB2 HIS 35 1HB HIS 35 7.054 6.626 4.145
235 HB3 HIS 35 2HB HIS 35 8.464 5.572 4.091
236 HD1 HIS 35 HD1 HIS 35 8.322 3.411 5.697
237 HD2 HIS 35 HD2 HIS 35 4.756 5.420 4.983
238 HE1 HIS 35 HE1 HIS 35 6.503 1.802 6.347
239 H THR 36 H THR 36 8.042 9.045 6.913
240 HA THR 36 HA THR 36 8.616 10.706 4.730
241 HB THR 36 HB THR 36 7.432 11.469 6.770
242 HG1 THR 36 HG1 THR 36 8.133 13.175 5.625
243 HG21 THR 36 3HG2 THR 36 8.348 11.488 8.822
244 HG22 THR 36 1HG2 THR 36 9.897 12.086 8.229
245 HG23 THR 36 2HG2 THR 36 9.525 10.364 8.144
246 H GLY 37 H GLY 37 10.689 8.744 6.484
247 HA2 GLY 37 1HA GLY 37 12.966 8.527 5.677
248 HA3 GLY 37 2HA GLY 37 13.011 10.274 5.498
249 H GLU 38 H GLU 38 13.095 7.616 7.782
250 HA GLU 38 HA GLU 38 13.357 9.141 10.137
251 HB2 GLU 38 1HB GLU 38 12.790 6.777 10.209
252 HB3 GLU 38 2HB GLU 38 14.342 6.356 9.499
253 HG2 GLU 38 1HG GLU 38 15.515 6.955 11.444
254 HG3 GLU 38 2HG GLU 38 14.124 7.803 12.116
255 H LYS 39 H LYS 39 15.087 10.000 11.175
256 HA LYS 39 HA LYS 39 17.788 9.450 10.329
257 HB2 LYS 39 1HB LYS 39 18.314 11.810 9.789
258 HB3 LYS 39 2HB LYS 39 17.189 11.085 8.648
259 HG2 LYS 39 1HG LYS 39 16.154 13.076 8.968
260 HG3 LYS 39 2HG LYS 39 15.406 12.160 10.279
261 HD2 LYS 39 1HD LYS 39 17.415 13.033 11.681
262 HD3 LYS 39 2HD LYS 39 17.552 14.244 10.404
263 HE2 LYS 39 1HE LYS 39 16.199 15.113 12.206
264 HE3 LYS 39 2HE LYS 39 15.193 14.861 10.781
265 HZ1 LYS 39 3HZ LYS 39 15.266 12.565 12.483
266 HZ2 LYS 39 1HZ LYS 39 13.934 13.406 11.866
267 HZ3 LYS 39 2HZ LYS 39 14.681 13.931 13.290
268 HA PRO 40 HA PRO 40 18.389 10.327 14.610
269 HB2 PRO 40 1HB PRO 40 21.099 10.483 14.598
270 HB3 PRO 40 2HB PRO 40 20.225 8.952 14.471
271 HG2 PRO 40 1HG PRO 40 21.466 10.609 12.309
272 HG3 PRO 40 2HG PRO 40 21.503 8.851 12.531
273 HD2 PRO 40 1HD PRO 40 19.829 10.063 10.782
274 HD3 PRO 40 2HD PRO 40 19.399 8.566 11.635
275 H SER 41 H SER 41 20.463 12.217 12.400
276 HA SER 41 HA SER 41 20.984 14.359 14.070
277 HB2 SER 41 1HB SER 41 21.511 15.630 12.070
278 HB3 SER 41 2HB SER 41 22.059 13.968 11.856
279 HG SER 41 HG SER 41 20.688 15.172 10.148
280 H GLY 42 H GLY 42 19.434 15.346 15.226
281 HA2 GLY 42 1HA GLY 42 17.649 17.147 13.991
282 HA3 GLY 42 2HA GLY 42 16.765 15.704 14.467
283 HA PRO 43 HA PRO 43 18.467 17.558 18.588
284 HB2 PRO 43 1HB PRO 43 19.762 19.939 18.431
285 HB3 PRO 43 2HB PRO 43 20.592 18.384 18.301
286 HG2 PRO 43 1HG PRO 43 19.715 20.250 16.131
287 HG3 PRO 43 2HG PRO 43 21.239 19.358 16.291
288 HD2 PRO 43 1HD PRO 43 19.227 18.528 14.680
289 HD3 PRO 43 2HD PRO 43 20.319 17.396 15.504
290 H SER 44 H SER 44 17.060 19.434 16.058
291 HA SER 44 HA SER 44 16.085 21.699 17.067
292 HB2 SER 44 1HB SER 44 14.297 19.661 15.720
293 HB3 SER 44 2HB SER 44 14.059 21.408 15.757
294 HG SER 44 HG SER 44 16.482 20.992 14.818
295 H SER 45 H SER 45 15.267 22.268 18.959
296 HA SER 45 HA SER 45 14.203 20.381 20.808
297 HB2 SER 45 1HB SER 45 15.375 22.289 21.679
298 HB3 SER 45 2HB SER 45 14.304 23.404 20.831
299 HG SER 45 HG SER 45 13.088 23.334 22.529
300 H GLY 46 H GLY 46 12.709 23.178 19.162
301 HA2 GLY 46 1HA GLY 46 10.407 21.962 18.286
302 HA3 GLY 46 2HA GLY 46 10.064 22.416 19.949
Start of MODEL 7
1 H1 GLY 1 H GLY 1 -0.227 -26.796 3.976
2 HA2 GLY 1 1HA GLY 1 -1.285 -24.579 5.003
3 HA3 GLY 1 2HA GLY 1 -0.132 -23.886 3.872
4 H SER 2 H SER 2 -3.235 -25.187 4.269
5 HA SER 2 HA SER 2 -3.609 -25.628 1.402
6 HB2 SER 2 1HB SER 2 -4.487 -27.252 3.157
7 HB3 SER 2 2HB SER 2 -5.672 -26.014 3.574
8 HG SER 2 HG SER 2 -6.018 -27.781 1.786
9 H SER 3 H SER 3 -5.399 -24.640 0.283
10 HA SER 3 HA SER 3 -6.377 -22.143 1.479
11 HB2 SER 3 1HB SER 3 -4.355 -21.830 -0.093
12 HB3 SER 3 2HB SER 3 -5.475 -22.238 -1.393
13 HG SER 3 HG SER 3 -5.311 -19.955 0.160
14 H GLY 4 H GLY 4 -8.443 -21.580 0.941
15 HA2 GLY 4 1HA GLY 4 -9.817 -22.795 -1.281
16 HA3 GLY 4 2HA GLY 4 -10.321 -23.432 0.278
17 H SER 5 H SER 5 -10.132 -21.067 1.792
18 HA SER 5 HA SER 5 -12.652 -19.937 1.331
19 HB2 SER 5 1HB SER 5 -10.346 -19.318 3.109
20 HB3 SER 5 2HB SER 5 -11.556 -18.054 2.883
21 HG SER 5 HG SER 5 -12.484 -20.624 3.413
22 H SER 6 H SER 6 -13.352 -18.191 0.230
23 HA SER 6 HA SER 6 -11.330 -16.571 -1.175
24 HB2 SER 6 1HB SER 6 -12.657 -18.208 -2.616
25 HB3 SER 6 2HB SER 6 -14.067 -17.201 -2.283
26 HG SER 6 HG SER 6 -12.417 -16.829 -4.199
27 H GLY 7 H GLY 7 -12.265 -15.816 1.310
28 HA2 GLY 7 1HA GLY 7 -13.827 -13.425 0.596
29 HA3 GLY 7 2HA GLY 7 -14.311 -14.398 1.977
30 H SER 8 H SER 8 -11.758 -12.354 0.671
31 HA SER 8 HA SER 8 -10.799 -11.920 3.425
32 HB2 SER 8 1HB SER 8 -9.239 -11.697 0.839
33 HB3 SER 8 2HB SER 8 -8.604 -11.357 2.449
34 HG SER 8 HG SER 8 -8.045 -13.416 2.172
35 H GLY 9 H GLY 9 -11.210 -9.974 4.222
36 HA2 GLY 9 1HA GLY 9 -12.428 -7.910 2.754
37 HA3 GLY 9 2HA GLY 9 -11.727 -7.742 4.357
38 H GLU 10 H GLU 10 -11.700 -6.033 1.858
39 HA GLU 10 HA GLU 10 -8.808 -5.534 1.887
40 HB2 GLU 10 1HB GLU 10 -10.549 -6.039 -0.475
41 HB3 GLU 10 2HB GLU 10 -9.303 -4.809 -0.629
42 HG2 GLU 10 1HG GLU 10 -7.577 -6.347 -0.287
43 HG3 GLU 10 2HG GLU 10 -8.672 -7.561 0.370
44 H LYS 11 H LYS 11 -8.355 -3.501 2.395
45 HA LYS 11 HA LYS 11 -10.507 -1.527 2.378
46 HB2 LYS 11 1HB LYS 11 -7.736 -1.411 3.585
47 HB3 LYS 11 2HB LYS 11 -8.972 -0.171 3.759
48 HG2 LYS 11 1HG LYS 11 -10.424 -1.990 4.788
49 HG3 LYS 11 2HG LYS 11 -8.946 -2.950 4.887
50 HD2 LYS 11 1HD LYS 11 -7.980 -0.806 6.030
51 HD3 LYS 11 2HD LYS 11 -9.681 -0.436 6.325
52 HE2 LYS 11 1HE LYS 11 -8.519 -3.110 7.031
53 HE3 LYS 11 2HE LYS 11 -8.379 -1.734 8.125
54 HZ1 LYS 11 3HZ LYS 11 -10.566 -1.788 8.619
55 HZ2 LYS 11 1HZ LYS 11 -10.418 -3.415 8.177
56 HZ3 LYS 11 2HZ LYS 11 -11.035 -2.292 7.074
57 HA PRO 12 HA PRO 12 -9.016 0.563 -1.197
58 HB2 PRO 12 1HB PRO 12 -10.034 3.033 -0.714
59 HB3 PRO 12 2HB PRO 12 -11.033 1.663 -1.213
60 HG2 PRO 12 1HG PRO 12 -10.591 2.787 1.526
61 HG3 PRO 12 2HG PRO 12 -12.099 2.241 0.771
62 HD2 PRO 12 1HD PRO 12 -10.716 0.717 2.530
63 HD3 PRO 12 2HD PRO 12 -11.654 0.020 1.194
64 H PHE 13 H PHE 13 -8.421 1.923 1.997
65 HA PHE 13 HA PHE 13 -6.217 3.539 0.959
66 HB2 PHE 13 1HB PHE 13 -7.107 3.403 3.834
67 HB3 PHE 13 2HB PHE 13 -6.232 4.697 3.021
68 HD1 PHE 13 HD1 PHE 13 -7.450 6.043 1.258
69 HD2 PHE 13 HD2 PHE 13 -9.437 3.423 3.961
70 HE1 PHE 13 HE1 PHE 13 -9.574 7.204 0.816
71 HE2 PHE 13 HE2 PHE 13 -11.564 4.579 3.522
72 HZ PHE 13 HZ PHE 13 -11.635 6.471 1.948
73 H GLN 14 H GLN 14 -4.536 2.187 0.554
74 HA GLN 14 HA GLN 14 -3.445 0.737 2.867
75 HB2 GLN 14 1HB GLN 14 -3.720 -0.250 0.032
76 HB3 GLN 14 2HB GLN 14 -2.604 -0.976 1.181
77 HG2 GLN 14 1HG GLN 14 -4.734 -1.156 2.683
78 HG3 GLN 14 2HG GLN 14 -5.579 -1.019 1.142
79 HE21 GLN 14 1HE2 GLN 14 -2.696 -2.709 2.348
80 HE22 GLN 14 2HE2 GLN 14 -3.122 -4.252 1.699
81 H CYS 15 H CYS 15 -1.373 1.164 3.294
82 HA CYS 15 HA CYS 15 0.041 3.223 2.145
83 HB2 CYS 15 1HB CYS 15 0.458 1.755 4.311
84 HB3 CYS 15 2HB CYS 15 1.583 0.916 3.248
85 H GLU 16 H GLU 16 2.249 3.011 1.072
86 HA GLU 16 HA GLU 16 2.054 1.064 -1.132
87 HB2 GLU 16 1HB GLU 16 2.759 3.955 -1.075
88 HB3 GLU 16 2HB GLU 16 3.616 2.934 -2.221
89 HG2 GLU 16 1HG GLU 16 0.676 3.495 -2.065
90 HG3 GLU 16 2HG GLU 16 1.789 3.819 -3.393
91 H GLU 17 H GLU 17 4.000 2.347 1.398
92 HA GLU 17 HA GLU 17 6.409 1.032 0.383
93 HB2 GLU 17 1HB GLU 17 6.493 3.374 1.309
94 HB3 GLU 17 2HB GLU 17 6.116 2.695 2.886
95 HG2 GLU 17 1HG GLU 17 8.408 2.888 2.957
96 HG3 GLU 17 2HG GLU 17 8.183 1.205 2.482
97 H CYS 18 H CYS 18 3.918 0.693 2.760
98 HA CYS 18 HA CYS 18 5.182 -1.795 3.681
99 HB2 CYS 18 1HB CYS 18 4.696 -1.368 5.948
100 HB3 CYS 18 2HB CYS 18 5.371 0.143 5.347
101 H GLY 19 H GLY 19 2.685 -0.493 2.081
102 HA2 GLY 19 1HA GLY 19 0.440 -1.025 1.797
103 HA3 GLY 19 2HA GLY 19 1.125 -2.642 1.723
104 H LYS 20 H LYS 20 -0.252 -0.236 3.914
105 HA LYS 20 HA LYS 20 -0.858 -2.379 5.830
106 HB2 LYS 20 1HB LYS 20 -0.545 0.590 6.086
107 HB3 LYS 20 2HB LYS 20 -1.503 -0.290 7.269
108 HG2 LYS 20 1HG LYS 20 1.215 -1.307 6.646
109 HG3 LYS 20 2HG LYS 20 1.074 0.163 7.612
110 HD2 LYS 20 1HD LYS 20 1.025 -1.400 9.279
111 HD3 LYS 20 2HD LYS 20 -0.701 -1.296 8.922
112 HE2 LYS 20 1HE LYS 20 0.934 -3.250 7.391
113 HE3 LYS 20 2HE LYS 20 0.567 -3.619 9.075
114 HZ1 LYS 20 3HZ LYS 20 -1.577 -3.998 8.607
115 HZ2 LYS 20 1HZ LYS 20 -1.040 -4.204 7.016
116 HZ3 LYS 20 2HZ LYS 20 -1.689 -2.721 7.504
117 H ARG 21 H ARG 21 -2.983 -1.518 7.161
118 HA ARG 21 HA ARG 21 -5.072 -1.044 5.141
119 HB2 ARG 21 1HB ARG 21 -5.042 -3.084 7.363
120 HB3 ARG 21 2HB ARG 21 -6.523 -2.581 6.559
121 HG2 ARG 21 1HG ARG 21 -6.009 -3.665 4.624
122 HG3 ARG 21 2HG ARG 21 -4.269 -3.499 4.863
123 HD2 ARG 21 1HD ARG 21 -5.820 -5.200 6.752
124 HD3 ARG 21 2HD ARG 21 -5.478 -5.824 5.139
125 HE ARG 21 HE ARG 21 -3.599 -5.435 7.288
126 HH11 ARG 21 1HH1 ARG 21 -4.014 -5.785 3.849
127 HH12 ARG 21 2HH1 ARG 21 -2.394 -6.337 3.578
128 HH21 ARG 21 1HH2 ARG 21 -1.464 -6.160 6.945
129 HH22 ARG 21 2HH2 ARG 21 -0.944 -6.550 5.340
130 H PHE 22 H PHE 22 -6.485 0.517 5.625
131 HA PHE 22 HA PHE 22 -6.986 1.257 8.391
132 HB2 PHE 22 1HB PHE 22 -6.125 3.401 6.455
133 HB3 PHE 22 2HB PHE 22 -6.325 3.525 8.200
134 HD1 PHE 22 HD1 PHE 22 -4.694 2.366 9.699
135 HD2 PHE 22 HD2 PHE 22 -4.081 2.740 5.504
136 HE1 PHE 22 HE1 PHE 22 -2.301 1.884 10.010
137 HE2 PHE 22 HE2 PHE 22 -1.688 2.257 5.807
138 HZ PHE 22 HZ PHE 22 -0.795 1.828 8.062
139 H THR 23 H THR 23 -9.026 1.945 8.701
140 HA THR 23 HA THR 23 -10.870 1.808 6.516
141 HB THR 23 HB THR 23 -11.523 1.020 8.737
142 HG1 THR 23 HG1 THR 23 -12.923 3.055 7.426
143 HG21 THR 23 3HG2 THR 23 -11.558 2.297 10.637
144 HG22 THR 23 1HG2 THR 23 -11.810 3.802 9.755
145 HG23 THR 23 2HG2 THR 23 -10.209 3.063 9.800
146 H GLN 24 H GLN 24 -9.439 4.385 8.438
147 HA GLN 24 HA GLN 24 -10.921 6.372 6.862
148 HB2 GLN 24 1HB GLN 24 -9.630 6.420 9.559
149 HB3 GLN 24 2HB GLN 24 -9.805 7.926 8.669
150 HG2 GLN 24 1HG GLN 24 -12.213 7.580 8.535
151 HG3 GLN 24 2HG GLN 24 -12.045 6.057 9.409
152 HE21 GLN 24 1HE2 GLN 24 -10.631 6.422 11.498
153 HE22 GLN 24 2HE2 GLN 24 -11.182 7.717 12.500
154 H ASN 25 H ASN 25 -9.886 7.898 5.638
155 HA ASN 25 HA ASN 25 -7.356 7.248 4.580
156 HB2 ASN 25 1HB ASN 25 -7.578 9.676 3.629
157 HB3 ASN 25 2HB ASN 25 -8.688 8.422 3.084
158 HD21 ASN 25 1HD2 ASN 25 -8.314 11.267 5.048
159 HD22 ASN 25 2HD2 ASN 25 -9.999 11.588 5.258
160 H SER 26 H SER 26 -8.392 9.772 6.847
161 HA SER 26 HA SER 26 -6.144 11.256 7.164
162 HB2 SER 26 1HB SER 26 -7.977 10.241 9.347
163 HB3 SER 26 2HB SER 26 -6.805 11.542 9.558
164 HG SER 26 HG SER 26 -8.393 12.751 8.893
165 H HIS 27 H HIS 27 -6.770 8.102 8.659
166 HA HIS 27 HA HIS 27 -4.499 7.899 10.240
167 HB2 HIS 27 1HB HIS 27 -5.962 5.711 8.749
168 HB3 HIS 27 2HB HIS 27 -4.793 5.440 10.038
169 HD1 HIS 27 HD1 HIS 27 -7.721 4.475 10.272
170 HD2 HIS 27 HD2 HIS 27 -6.301 8.078 11.776
171 HE1 HIS 27 HE1 HIS 27 -9.316 5.112 12.109
172 H LEU 28 H LEU 28 -4.938 6.954 6.844
173 HA LEU 28 HA LEU 28 -2.293 5.995 6.492
174 HB2 LEU 28 1HB LEU 28 -3.894 5.219 4.965
175 HB3 LEU 28 2HB LEU 28 -4.468 6.847 4.610
176 HG LEU 28 HG LEU 28 -2.273 7.275 3.475
177 HD11 LEU 28 1HD1 LEU 28 -1.935 4.356 4.081
178 HD12 LEU 28 2HD1 LEU 28 -0.816 5.684 4.381
179 HD13 LEU 28 3HD1 LEU 28 -1.106 5.132 2.732
180 HD21 LEU 28 3HD2 LEU 28 -3.811 6.936 1.860
181 HD22 LEU 28 1HD2 LEU 28 -4.394 5.435 2.579
182 HD23 LEU 28 2HD2 LEU 28 -2.915 5.435 1.618
183 H HIS 29 H HIS 29 -3.850 9.022 5.428
184 HA HIS 29 HA HIS 29 -1.861 10.343 4.201
185 HB2 HIS 29 1HB HIS 29 -3.959 11.273 6.110
186 HB3 HIS 29 2HB HIS 29 -2.729 12.423 5.596
187 HD1 HIS 29 HD1 HIS 29 -4.645 13.754 4.383
188 HD2 HIS 29 HD2 HIS 29 -3.920 9.950 2.878
189 HE1 HIS 29 HE1 HIS 29 -5.796 13.684 2.148
190 H SER 30 H SER 30 -2.307 10.679 7.726
191 HA SER 30 HA SER 30 0.191 11.880 8.179
192 HB2 SER 30 1HB SER 30 -1.742 11.960 9.757
193 HB3 SER 30 2HB SER 30 -1.442 10.268 10.155
194 HG SER 30 HG SER 30 0.833 11.221 10.555
195 H HIS 31 H HIS 31 -0.843 8.511 8.239
196 HA HIS 31 HA HIS 31 1.399 7.343 9.390
197 HB2 HIS 31 1HB HIS 31 -0.593 6.044 8.976
198 HB3 HIS 31 2HB HIS 31 -0.442 6.285 7.238
199 HD1 HIS 31 HD1 HIS 31 1.587 4.696 10.041
200 HD2 HIS 31 HD2 HIS 31 0.786 4.226 5.991
201 HE1 HIS 31 HE1 HIS 31 2.785 2.592 9.358
202 H GLN 32 H GLN 32 0.841 8.386 6.074
203 HA GLN 32 HA GLN 32 3.003 7.204 4.807
204 HB2 GLN 32 1HB GLN 32 1.588 9.818 4.338
205 HB3 GLN 32 2HB GLN 32 2.912 9.290 3.308
206 HG2 GLN 32 1HG GLN 32 1.688 7.317 2.669
207 HG3 GLN 32 2HG GLN 32 0.392 7.720 3.793
208 HE21 GLN 32 1HE2 GLN 32 0.783 7.485 0.730
209 HE22 GLN 32 2HE2 GLN 32 -0.047 8.876 0.130
210 H ARG 33 H ARG 33 2.871 10.156 6.732
211 HA ARG 33 HA ARG 33 5.449 11.110 6.179
212 HB2 ARG 33 1HB ARG 33 3.450 11.527 8.343
213 HB3 ARG 33 2HB ARG 33 5.104 12.033 8.663
214 HG2 ARG 33 1HG ARG 33 4.147 13.951 7.818
215 HG3 ARG 33 2HG ARG 33 4.914 13.253 6.390
216 HD2 ARG 33 1HD ARG 33 2.734 12.218 5.798
217 HD3 ARG 33 2HD ARG 33 2.004 13.070 7.158
218 HE ARG 33 HE ARG 33 2.817 14.200 4.622
219 HH11 ARG 33 1HH1 ARG 33 1.933 14.808 7.934
220 HH12 ARG 33 2HH1 ARG 33 1.475 16.454 7.647
221 HH21 ARG 33 1HH2 ARG 33 2.218 16.366 4.231
222 HH22 ARG 33 2HH2 ARG 33 1.637 17.339 5.540
223 H VAL 34 H VAL 34 4.361 8.483 8.127
224 HA VAL 34 HA VAL 34 6.480 8.271 9.953
225 HB VAL 34 HB VAL 34 4.807 6.065 8.742
226 HG11 VAL 34 1HG1 VAL 34 6.838 5.169 9.718
227 HG12 VAL 34 2HG1 VAL 34 6.546 6.070 11.207
228 HG13 VAL 34 3HG1 VAL 34 5.451 4.771 10.732
229 HG21 VAL 34 3HG2 VAL 34 4.450 7.316 11.447
230 HG22 VAL 34 1HG2 VAL 34 3.669 7.976 10.010
231 HG23 VAL 34 2HG2 VAL 34 3.315 6.328 10.528
232 H HIS 35 H HIS 35 6.278 7.534 6.578
233 HA HIS 35 HA HIS 35 8.806 6.053 6.659
234 HB2 HIS 35 1HB HIS 35 6.938 6.501 4.323
235 HB3 HIS 35 2HB HIS 35 8.327 5.420 4.358
236 HD1 HIS 35 HD1 HIS 35 8.056 3.545 6.455
237 HD2 HIS 35 HD2 HIS 35 4.635 5.172 4.750
238 HE1 HIS 35 HE1 HIS 35 6.197 1.950 7.025
239 H THR 36 H THR 36 8.286 9.074 6.903
240 HA THR 36 HA THR 36 9.097 10.554 4.773
241 HB THR 36 HB THR 36 10.380 11.992 6.492
242 HG1 THR 36 HG1 THR 36 8.986 10.499 8.424
243 HG21 THR 36 3HG2 THR 36 8.395 13.004 6.253
244 HG22 THR 36 1HG2 THR 36 7.926 12.175 7.737
245 HG23 THR 36 2HG2 THR 36 7.531 11.469 6.169
246 H GLY 37 H GLY 37 11.321 9.035 7.120
247 HA2 GLY 37 1HA GLY 37 13.151 8.017 5.343
248 HA3 GLY 37 2HA GLY 37 13.642 9.688 5.577
249 H GLU 38 H GLU 38 12.222 7.487 7.957
250 HA GLU 38 HA GLU 38 14.778 7.523 9.416
251 HB2 GLU 38 1HB GLU 38 12.024 8.165 10.416
252 HB3 GLU 38 2HB GLU 38 13.227 7.499 11.512
253 HG2 GLU 38 1HG GLU 38 13.697 9.964 9.861
254 HG3 GLU 38 2HG GLU 38 13.021 10.001 11.489
255 H LYS 39 H LYS 39 14.120 5.454 7.759
256 HA LYS 39 HA LYS 39 13.088 3.340 9.516
257 HB2 LYS 39 1HB LYS 39 13.444 3.483 6.523
258 HB3 LYS 39 2HB LYS 39 13.043 1.993 7.367
259 HG2 LYS 39 1HG LYS 39 11.031 3.185 8.292
260 HG3 LYS 39 2HG LYS 39 11.397 4.499 7.171
261 HD2 LYS 39 1HD LYS 39 11.214 1.716 6.119
262 HD3 LYS 39 2HD LYS 39 9.725 2.579 6.509
263 HE2 LYS 39 1HE LYS 39 9.987 3.190 4.319
264 HE3 LYS 39 2HE LYS 39 10.864 4.497 5.114
265 HZ1 LYS 39 3HZ LYS 39 11.894 3.107 3.133
266 HZ2 LYS 39 1HZ LYS 39 12.388 2.113 4.409
267 HZ3 LYS 39 2HZ LYS 39 12.849 3.740 4.377
268 HA PRO 40 HA PRO 40 17.097 1.633 10.102
269 HB2 PRO 40 1HB PRO 40 16.438 -0.968 10.516
270 HB3 PRO 40 2HB PRO 40 16.141 0.300 11.711
271 HG2 PRO 40 1HG PRO 40 14.247 -0.935 9.749
272 HG3 PRO 40 2HG PRO 40 13.983 -0.529 11.455
273 HD2 PRO 40 1HD PRO 40 13.098 1.038 9.431
274 HD3 PRO 40 2HD PRO 40 13.609 1.699 10.997
275 H SER 41 H SER 41 14.959 -0.246 7.961
276 HA SER 41 HA SER 41 16.657 -1.889 6.666
277 HB2 SER 41 1HB SER 41 14.340 -1.843 6.038
278 HB3 SER 41 2HB SER 41 14.474 -0.186 5.451
279 HG SER 41 HG SER 41 16.165 -2.085 4.316
280 H GLY 42 H GLY 42 18.410 -1.761 5.405
281 HA2 GLY 42 1HA GLY 42 20.115 0.263 5.155
282 HA3 GLY 42 2HA GLY 42 19.881 -0.867 3.830
283 HA PRO 43 HA PRO 43 17.446 3.294 3.062
284 HB2 PRO 43 1HB PRO 43 18.825 5.447 3.974
285 HB3 PRO 43 2HB PRO 43 17.586 4.624 4.930
286 HG2 PRO 43 1HG PRO 43 20.565 4.356 5.057
287 HG3 PRO 43 2HG PRO 43 19.394 4.463 6.384
288 HD2 PRO 43 1HD PRO 43 20.463 2.112 5.570
289 HD3 PRO 43 2HD PRO 43 18.816 2.237 6.220
290 H SER 44 H SER 44 20.997 3.519 3.306
291 HA SER 44 HA SER 44 22.576 4.223 1.810
292 HB2 SER 44 1HB SER 44 20.775 2.714 -0.101
293 HB3 SER 44 2HB SER 44 22.474 3.104 -0.370
294 HG SER 44 HG SER 44 22.668 1.160 0.482
295 H SER 45 H SER 45 20.815 6.248 2.323
296 HA SER 45 HA SER 45 20.404 7.484 -0.322
297 HB2 SER 45 1HB SER 45 18.933 8.059 2.262
298 HB3 SER 45 2HB SER 45 18.646 8.857 0.716
299 HG SER 45 HG SER 45 17.894 6.341 1.584
300 H GLY 46 H GLY 46 21.230 8.196 3.067
301 HA2 GLY 46 1HA GLY 46 22.779 9.661 3.938
302 HA3 GLY 46 2HA GLY 46 23.406 9.876 2.311
Start of MODEL 8
1 H1 GLY 1 H GLY 1 2.028 -18.088 21.121
2 HA2 GLY 1 1HA GLY 1 2.224 -15.435 20.047
3 HA3 GLY 1 2HA GLY 1 1.049 -16.661 19.592
4 H SER 2 H SER 2 -0.218 -14.533 19.549
5 HA SER 2 HA SER 2 -1.943 -14.517 21.827
6 HB2 SER 2 1HB SER 2 -1.591 -12.279 22.602
7 HB3 SER 2 2HB SER 2 -0.013 -13.065 22.575
8 HG SER 2 HG SER 2 -0.106 -12.055 20.261
9 H SER 3 H SER 3 -3.939 -14.051 21.163
10 HA SER 3 HA SER 3 -4.450 -13.406 18.446
11 HB2 SER 3 1HB SER 3 -5.920 -14.778 20.034
12 HB3 SER 3 2HB SER 3 -6.477 -13.232 20.674
13 HG SER 3 HG SER 3 -7.878 -13.507 19.091
14 H GLY 4 H GLY 4 -4.825 -11.506 17.471
15 HA2 GLY 4 1HA GLY 4 -5.660 -9.179 18.972
16 HA3 GLY 4 2HA GLY 4 -4.014 -9.090 18.362
17 H SER 5 H SER 5 -3.793 -9.580 15.972
18 HA SER 5 HA SER 5 -5.460 -7.785 14.535
19 HB2 SER 5 1HB SER 5 -4.134 -8.425 12.580
20 HB3 SER 5 2HB SER 5 -3.082 -8.153 13.969
21 HG SER 5 HG SER 5 -4.031 -10.742 13.482
22 H SER 6 H SER 6 -7.301 -8.135 13.481
23 HA SER 6 HA SER 6 -7.944 -10.792 12.476
24 HB2 SER 6 1HB SER 6 -9.771 -9.315 14.388
25 HB3 SER 6 2HB SER 6 -10.152 -10.822 13.556
26 HG SER 6 HG SER 6 -9.175 -11.812 15.114
27 H GLY 7 H GLY 7 -8.344 -10.386 10.403
28 HA2 GLY 7 1HA GLY 7 -10.516 -9.240 9.318
29 HA3 GLY 7 2HA GLY 7 -9.476 -7.846 9.573
30 H SER 8 H SER 8 -10.506 -9.614 7.194
31 HA SER 8 HA SER 8 -8.006 -10.354 5.934
32 HB2 SER 8 1HB SER 8 -9.429 -11.082 4.056
33 HB3 SER 8 2HB SER 8 -9.988 -11.756 5.586
34 HG SER 8 HG SER 8 -11.058 -9.447 4.325
35 H GLY 9 H GLY 9 -7.833 -7.728 6.491
36 HA2 GLY 9 1HA GLY 9 -7.484 -5.646 5.582
37 HA3 GLY 9 2HA GLY 9 -7.125 -6.532 4.107
38 H GLU 10 H GLU 10 -8.332 -6.053 2.403
39 HA GLU 10 HA GLU 10 -10.060 -5.340 1.105
40 HB2 GLU 10 1HB GLU 10 -11.273 -6.989 2.750
41 HB3 GLU 10 2HB GLU 10 -11.961 -5.512 3.410
42 HG2 GLU 10 1HG GLU 10 -12.084 -6.017 0.474
43 HG3 GLU 10 2HG GLU 10 -13.216 -6.828 1.555
44 H LYS 11 H LYS 11 -8.467 -3.418 2.300
45 HA LYS 11 HA LYS 11 -10.400 -1.259 2.844
46 HB2 LYS 11 1HB LYS 11 -7.563 -1.519 3.860
47 HB3 LYS 11 2HB LYS 11 -8.623 -0.145 4.147
48 HG2 LYS 11 1HG LYS 11 -9.272 -2.948 5.023
49 HG3 LYS 11 2HG LYS 11 -8.435 -1.771 6.039
50 HD2 LYS 11 1HD LYS 11 -10.302 -0.448 6.277
51 HD3 LYS 11 2HD LYS 11 -11.016 -0.998 4.760
52 HE2 LYS 11 1HE LYS 11 -10.665 -2.924 7.016
53 HE3 LYS 11 2HE LYS 11 -12.006 -1.781 7.050
54 HZ1 LYS 11 3HZ LYS 11 -12.339 -4.086 5.979
55 HZ2 LYS 11 1HZ LYS 11 -11.531 -3.419 4.650
56 HZ3 LYS 11 2HZ LYS 11 -12.971 -2.723 5.200
57 HA PRO 12 HA PRO 12 -8.865 0.529 -0.901
58 HB2 PRO 12 1HB PRO 12 -9.979 2.985 -0.592
59 HB3 PRO 12 2HB PRO 12 -10.913 1.558 -1.057
60 HG2 PRO 12 1HG PRO 12 -10.622 2.837 1.634
61 HG3 PRO 12 2HG PRO 12 -12.080 2.203 0.848
62 HD2 PRO 12 1HD PRO 12 -10.725 0.818 2.740
63 HD3 PRO 12 2HD PRO 12 -11.584 0.022 1.406
64 H PHE 13 H PHE 13 -8.318 1.873 2.272
65 HA PHE 13 HA PHE 13 -6.219 3.638 1.250
66 HB2 PHE 13 1HB PHE 13 -7.165 3.388 4.106
67 HB3 PHE 13 2HB PHE 13 -6.237 4.703 3.392
68 HD1 PHE 13 HD1 PHE 13 -7.446 5.852 1.318
69 HD2 PHE 13 HD2 PHE 13 -9.404 3.725 4.442
70 HE1 PHE 13 HE1 PHE 13 -9.533 7.059 0.828
71 HE2 PHE 13 HE2 PHE 13 -11.494 4.929 3.956
72 HZ PHE 13 HZ PHE 13 -11.561 6.598 2.147
73 H GLN 14 H GLN 14 -4.621 2.144 0.724
74 HA GLN 14 HA GLN 14 -3.402 0.772 3.029
75 HB2 GLN 14 1HB GLN 14 -3.527 -0.137 0.150
76 HB3 GLN 14 2HB GLN 14 -2.547 -0.910 1.389
77 HG2 GLN 14 1HG GLN 14 -4.852 -1.041 2.652
78 HG3 GLN 14 2HG GLN 14 -5.492 -0.922 1.014
79 HE21 GLN 14 1HE2 GLN 14 -2.923 -2.649 2.755
80 HE22 GLN 14 2HE2 GLN 14 -3.222 -4.184 2.020
81 H CYS 15 H CYS 15 -1.298 1.155 3.415
82 HA CYS 15 HA CYS 15 0.028 3.340 2.397
83 HB2 CYS 15 1HB CYS 15 0.543 1.722 4.430
84 HB3 CYS 15 2HB CYS 15 1.655 0.994 3.275
85 H GLU 16 H GLU 16 2.269 3.201 1.300
86 HA GLU 16 HA GLU 16 2.025 1.467 -1.070
87 HB2 GLU 16 1HB GLU 16 2.716 4.345 -0.776
88 HB3 GLU 16 2HB GLU 16 3.566 3.434 -2.016
89 HG2 GLU 16 1HG GLU 16 1.253 2.684 -2.797
90 HG3 GLU 16 2HG GLU 16 0.632 3.984 -1.781
91 H GLU 17 H GLU 17 4.026 2.558 1.514
92 HA GLU 17 HA GLU 17 6.414 1.336 0.349
93 HB2 GLU 17 1HB GLU 17 6.451 3.606 1.504
94 HB3 GLU 17 2HB GLU 17 6.213 2.734 3.012
95 HG2 GLU 17 1HG GLU 17 8.487 2.964 2.981
96 HG3 GLU 17 2HG GLU 17 8.294 1.378 2.237
97 H CYS 18 H CYS 18 3.996 0.817 2.782
98 HA CYS 18 HA CYS 18 5.249 -1.763 3.421
99 HB2 CYS 18 1HB CYS 18 4.908 -1.527 5.738
100 HB3 CYS 18 2HB CYS 18 5.576 0.021 5.234
101 H GLY 19 H GLY 19 2.743 -0.343 2.010
102 HA2 GLY 19 1HA GLY 19 0.480 -0.801 1.768
103 HA3 GLY 19 2HA GLY 19 1.105 -2.438 1.642
104 H LYS 20 H LYS 20 -0.052 -0.027 3.963
105 HA LYS 20 HA LYS 20 -0.634 -2.156 5.884
106 HB2 LYS 20 1HB LYS 20 -0.300 0.795 6.044
107 HB3 LYS 20 2HB LYS 20 -1.398 0.046 7.195
108 HG2 LYS 20 1HG LYS 20 1.294 -1.156 6.857
109 HG3 LYS 20 2HG LYS 20 1.165 0.378 7.721
110 HD2 LYS 20 1HD LYS 20 -0.544 -2.005 8.394
111 HD3 LYS 20 2HD LYS 20 1.042 -1.741 9.123
112 HE2 LYS 20 1HE LYS 20 0.342 0.262 10.155
113 HE3 LYS 20 2HE LYS 20 -1.118 0.349 9.171
114 HZ1 LYS 20 3HZ LYS 20 -0.534 -1.459 11.433
115 HZ2 LYS 20 1HZ LYS 20 -1.746 -1.822 10.311
116 HZ3 LYS 20 2HZ LYS 20 -1.844 -0.408 11.232
117 H ARG 21 H ARG 21 -2.772 -1.354 7.229
118 HA ARG 21 HA ARG 21 -4.911 -1.005 5.238
119 HB2 ARG 21 1HB ARG 21 -4.773 -3.005 7.492
120 HB3 ARG 21 2HB ARG 21 -6.274 -2.588 6.677
121 HG2 ARG 21 1HG ARG 21 -5.678 -3.646 4.736
122 HG3 ARG 21 2HG ARG 21 -3.949 -3.463 5.039
123 HD2 ARG 21 1HD ARG 21 -4.032 -5.163 6.755
124 HD3 ARG 21 2HD ARG 21 -5.783 -5.287 6.589
125 HE ARG 21 HE ARG 21 -4.305 -5.821 4.169
126 HH11 ARG 21 1HH1 ARG 21 -5.686 -7.158 7.072
127 HH12 ARG 21 2HH1 ARG 21 -5.796 -8.765 6.435
128 HH21 ARG 21 1HH2 ARG 21 -4.445 -7.933 3.319
129 HH22 ARG 21 2HH2 ARG 21 -5.089 -9.205 4.301
130 H PHE 22 H PHE 22 -6.190 0.657 5.681
131 HA PHE 22 HA PHE 22 -6.676 1.392 8.476
132 HB2 PHE 22 1HB PHE 22 -6.069 3.464 6.366
133 HB3 PHE 22 2HB PHE 22 -6.239 3.710 8.101
134 HD1 PHE 22 HD1 PHE 22 -4.494 2.783 9.638
135 HD2 PHE 22 HD2 PHE 22 -4.001 2.893 5.412
136 HE1 PHE 22 HE1 PHE 22 -2.066 2.502 9.917
137 HE2 PHE 22 HE2 PHE 22 -1.572 2.611 5.684
138 HZ PHE 22 HZ PHE 22 -0.602 2.415 7.939
139 H THR 23 H THR 23 -8.666 2.353 8.879
140 HA THR 23 HA THR 23 -10.733 1.711 7.009
141 HB THR 23 HB THR 23 -12.275 2.660 8.681
142 HG1 THR 23 HG1 THR 23 -11.279 3.393 10.686
143 HG21 THR 23 3HG2 THR 23 -11.269 0.329 8.867
144 HG22 THR 23 1HG2 THR 23 -11.959 1.008 10.340
145 HG23 THR 23 2HG2 THR 23 -10.210 0.998 10.108
146 H GLN 24 H GLN 24 -9.630 4.786 8.443
147 HA GLN 24 HA GLN 24 -11.037 6.234 6.323
148 HB2 GLN 24 1HB GLN 24 -9.807 7.139 8.925
149 HB3 GLN 24 2HB GLN 24 -10.448 8.253 7.725
150 HG2 GLN 24 1HG GLN 24 -12.652 7.340 7.971
151 HG3 GLN 24 2HG GLN 24 -12.050 6.073 9.039
152 HE21 GLN 24 1HE2 GLN 24 -14.067 8.200 9.440
153 HE22 GLN 24 2HE2 GLN 24 -13.558 9.050 10.856
154 H ASN 25 H ASN 25 -9.900 8.170 5.411
155 HA ASN 25 HA ASN 25 -7.412 7.346 4.278
156 HB2 ASN 25 1HB ASN 25 -7.535 9.809 3.371
157 HB3 ASN 25 2HB ASN 25 -8.654 8.588 2.772
158 HD21 ASN 25 1HD2 ASN 25 -10.241 10.032 2.221
159 HD22 ASN 25 2HD2 ASN 25 -11.163 10.909 3.390
160 H SER 26 H SER 26 -8.357 9.990 6.463
161 HA SER 26 HA SER 26 -6.043 11.326 6.842
162 HB2 SER 26 1HB SER 26 -7.991 11.987 8.070
163 HB3 SER 26 2HB SER 26 -8.038 10.452 8.938
164 HG SER 26 HG SER 26 -6.869 11.431 10.373
165 H HIS 27 H HIS 27 -6.919 8.395 8.674
166 HA HIS 27 HA HIS 27 -4.650 8.066 10.170
167 HB2 HIS 27 1HB HIS 27 -6.333 5.945 8.826
168 HB3 HIS 27 2HB HIS 27 -5.119 5.603 10.055
169 HD1 HIS 27 HD1 HIS 27 -8.393 5.307 10.122
170 HD2 HIS 27 HD2 HIS 27 -5.990 8.019 12.154
171 HE1 HIS 27 HE1 HIS 27 -9.740 6.035 12.117
172 H LEU 28 H LEU 28 -5.144 7.176 6.788
173 HA LEU 28 HA LEU 28 -2.621 5.892 6.480
174 HB2 LEU 28 1HB LEU 28 -4.306 5.281 4.957
175 HB3 LEU 28 2HB LEU 28 -4.662 6.959 4.555
176 HG LEU 28 HG LEU 28 -2.348 7.038 3.502
177 HD11 LEU 28 1HD1 LEU 28 -2.515 4.090 3.219
178 HD12 LEU 28 2HD1 LEU 28 -1.855 4.740 4.719
179 HD13 LEU 28 3HD1 LEU 28 -1.112 5.157 3.175
180 HD21 LEU 28 3HD2 LEU 28 -4.452 6.925 2.229
181 HD22 LEU 28 1HD2 LEU 28 -4.378 5.164 2.293
182 HD23 LEU 28 2HD2 LEU 28 -3.135 6.068 1.427
183 H HIS 29 H HIS 29 -3.845 9.112 5.604
184 HA HIS 29 HA HIS 29 -1.568 10.114 4.376
185 HB2 HIS 29 1HB HIS 29 -3.701 11.491 6.007
186 HB3 HIS 29 2HB HIS 29 -2.429 12.373 5.168
187 HD1 HIS 29 HD1 HIS 29 -5.463 12.671 4.483
188 HD2 HIS 29 HD2 HIS 29 -2.780 10.223 2.465
189 HE1 HIS 29 HE1 HIS 29 -6.449 12.336 2.193
190 H SER 30 H SER 30 -2.440 10.113 7.812
191 HA SER 30 HA SER 30 -0.043 11.472 8.609
192 HB2 SER 30 1HB SER 30 -2.303 10.138 10.071
193 HB3 SER 30 2HB SER 30 -0.846 10.621 10.939
194 HG SER 30 HG SER 30 -1.203 12.754 10.080
195 H HIS 31 H HIS 31 -0.709 8.334 7.655
196 HA HIS 31 HA HIS 31 1.310 7.095 9.353
197 HB2 HIS 31 1HB HIS 31 -0.668 5.778 8.990
198 HB3 HIS 31 2HB HIS 31 -0.543 5.976 7.245
199 HD1 HIS 31 HD1 HIS 31 1.440 4.395 10.078
200 HD2 HIS 31 HD2 HIS 31 0.745 3.937 6.007
201 HE1 HIS 31 HE1 HIS 31 2.643 2.286 9.424
202 H GLN 32 H GLN 32 0.747 7.841 5.939
203 HA GLN 32 HA GLN 32 2.948 6.644 4.792
204 HB2 GLN 32 1HB GLN 32 1.440 9.153 4.130
205 HB3 GLN 32 2HB GLN 32 2.843 8.681 3.180
206 HG2 GLN 32 1HG GLN 32 1.695 6.448 2.854
207 HG3 GLN 32 2HG GLN 32 0.251 7.209 3.519
208 HE21 GLN 32 1HE2 GLN 32 -1.096 7.647 1.933
209 HE22 GLN 32 2HE2 GLN 32 -0.683 8.346 0.408
210 H ARG 33 H ARG 33 2.750 9.898 6.212
211 HA ARG 33 HA ARG 33 5.320 10.772 5.701
212 HB2 ARG 33 1HB ARG 33 5.056 12.240 7.659
213 HB3 ARG 33 2HB ARG 33 3.612 12.221 6.655
214 HG2 ARG 33 1HG ARG 33 2.643 12.032 8.696
215 HG3 ARG 33 2HG ARG 33 2.901 10.320 8.352
216 HD2 ARG 33 1HD ARG 33 5.107 10.539 9.562
217 HD3 ARG 33 2HD ARG 33 4.564 12.133 10.085
218 HE ARG 33 HE ARG 33 2.753 9.954 10.672
219 HH11 ARG 33 1HH1 ARG 33 5.379 11.946 11.792
220 HH12 ARG 33 2HH1 ARG 33 5.070 11.638 13.468
221 HH21 ARG 33 1HH2 ARG 33 2.336 9.541 12.876
222 HH22 ARG 33 2HH2 ARG 33 3.340 10.269 14.084
223 H VAL 34 H VAL 34 4.232 8.377 7.953
224 HA VAL 34 HA VAL 34 6.257 8.332 9.833
225 HB VAL 34 HB VAL 34 4.904 5.920 8.615
226 HG11 VAL 34 1HG1 VAL 34 6.984 5.554 10.017
227 HG12 VAL 34 2HG1 VAL 34 6.055 6.178 11.381
228 HG13 VAL 34 3HG1 VAL 34 5.525 4.717 10.546
229 HG21 VAL 34 3HG2 VAL 34 3.524 7.892 9.661
230 HG22 VAL 34 1HG2 VAL 34 3.122 6.216 10.034
231 HG23 VAL 34 2HG2 VAL 34 4.054 7.176 11.183
232 H HIS 35 H HIS 35 6.212 6.933 6.587
233 HA HIS 35 HA HIS 35 8.903 5.884 6.904
234 HB2 HIS 35 1HB HIS 35 7.224 5.905 4.394
235 HB3 HIS 35 2HB HIS 35 8.602 4.870 4.757
236 HD1 HIS 35 HD1 HIS 35 8.187 2.829 6.274
237 HD2 HIS 35 HD2 HIS 35 4.794 5.117 5.557
238 HE1 HIS 35 HE1 HIS 35 6.254 1.432 7.069
239 H THR 36 H THR 36 8.223 8.826 6.882
240 HA THR 36 HA THR 36 8.969 10.142 4.590
241 HB THR 36 HB THR 36 8.219 11.383 6.518
242 HG1 THR 36 HG1 THR 36 10.832 12.337 6.381
243 HG21 THR 36 3HG2 THR 36 8.946 10.479 8.472
244 HG22 THR 36 1HG2 THR 36 10.191 11.716 8.304
245 HG23 THR 36 2HG2 THR 36 10.527 10.056 7.815
246 H GLY 37 H GLY 37 10.897 8.100 6.541
247 HA2 GLY 37 1HA GLY 37 13.164 8.517 4.783
248 HA3 GLY 37 2HA GLY 37 13.444 8.961 6.460
249 H GLU 38 H GLU 38 14.352 7.435 7.653
250 HA GLU 38 HA GLU 38 14.298 4.676 6.717
251 HB2 GLU 38 1HB GLU 38 15.912 6.106 8.825
252 HB3 GLU 38 2HB GLU 38 15.968 4.361 8.615
253 HG2 GLU 38 1HG GLU 38 16.608 6.340 6.442
254 HG3 GLU 38 2HG GLU 38 17.810 5.600 7.498
255 H LYS 39 H LYS 39 11.945 4.614 7.296
256 HA LYS 39 HA LYS 39 10.196 4.232 8.758
257 HB2 LYS 39 1HB LYS 39 11.537 2.054 8.327
258 HB3 LYS 39 2HB LYS 39 12.073 2.236 9.992
259 HG2 LYS 39 1HG LYS 39 9.726 2.224 10.727
260 HG3 LYS 39 2HG LYS 39 9.223 1.975 9.054
261 HD2 LYS 39 1HD LYS 39 10.821 -0.069 9.147
262 HD3 LYS 39 2HD LYS 39 10.669 0.110 10.897
263 HE2 LYS 39 1HE LYS 39 8.405 -0.382 10.878
264 HE3 LYS 39 2HE LYS 39 8.223 0.046 9.177
265 HZ1 LYS 39 3HZ LYS 39 8.714 -2.017 8.545
266 HZ2 LYS 39 1HZ LYS 39 8.469 -2.471 10.157
267 HZ3 LYS 39 2HZ LYS 39 10.031 -2.140 9.599
268 HA PRO 40 HA PRO 40 12.324 6.426 12.376
269 HB2 PRO 40 1HB PRO 40 11.219 8.874 11.981
270 HB3 PRO 40 2HB PRO 40 12.754 8.384 11.255
271 HG2 PRO 40 1HG PRO 40 10.018 8.444 10.041
272 HG3 PRO 40 2HG PRO 40 11.564 8.957 9.340
273 HD2 PRO 40 1HD PRO 40 10.416 6.576 8.751
274 HD3 PRO 40 2HD PRO 40 12.177 6.802 8.797
275 H SER 41 H SER 41 11.323 6.627 14.322
276 HA SER 41 HA SER 41 8.451 6.103 14.383
277 HB2 SER 41 1HB SER 41 8.867 5.699 16.834
278 HB3 SER 41 2HB SER 41 9.760 4.625 15.756
279 HG SER 41 HG SER 41 11.051 5.515 17.460
280 H GLY 42 H GLY 42 10.713 8.194 16.196
281 HA2 GLY 42 1HA GLY 42 9.468 10.615 15.740
282 HA3 GLY 42 2HA GLY 42 8.634 9.914 17.119
283 HA PRO 43 HA PRO 43 12.627 12.176 18.341
284 HB2 PRO 43 1HB PRO 43 11.484 14.340 19.515
285 HB3 PRO 43 2HB PRO 43 11.930 14.298 17.805
286 HG2 PRO 43 1HG PRO 43 9.251 13.880 19.074
287 HG3 PRO 43 2HG PRO 43 9.669 14.808 17.622
288 HD2 PRO 43 1HD PRO 43 8.617 12.315 17.506
289 HD3 PRO 43 2HD PRO 43 9.761 12.926 16.294
290 H SER 44 H SER 44 12.893 10.509 19.853
291 HA SER 44 HA SER 44 12.670 9.375 21.840
292 HB2 SER 44 1HB SER 44 13.133 10.779 23.771
293 HB3 SER 44 2HB SER 44 14.074 11.354 22.394
294 HG SER 44 HG SER 44 11.549 12.470 22.824
295 H SER 45 H SER 45 10.200 9.540 20.621
296 HA SER 45 HA SER 45 8.404 9.947 22.923
297 HB2 SER 45 1HB SER 45 7.908 10.476 19.991
298 HB3 SER 45 2HB SER 45 6.602 10.347 21.169
299 HG SER 45 HG SER 45 8.372 12.391 20.727
300 H GLY 46 H GLY 46 6.776 8.422 23.260
301 HA2 GLY 46 1HA GLY 46 7.310 5.781 22.958
302 HA3 GLY 46 2HA GLY 46 5.670 6.403 23.061
Start of MODEL 9
1 H1 GLY 1 H GLY 1 -12.860 -24.029 9.848
2 HA2 GLY 1 1HA GLY 1 -13.036 -26.434 8.832
3 HA3 GLY 1 2HA GLY 1 -14.395 -26.525 9.942
4 H SER 2 H SER 2 -13.119 -24.256 7.502
5 HA SER 2 HA SER 2 -15.882 -23.931 6.528
6 HB2 SER 2 1HB SER 2 -13.619 -21.931 6.321
7 HB3 SER 2 2HB SER 2 -15.292 -21.679 5.822
8 HG SER 2 HG SER 2 -15.376 -20.871 7.789
9 H SER 3 H SER 3 -16.158 -23.607 4.240
10 HA SER 3 HA SER 3 -14.093 -25.004 2.680
11 HB2 SER 3 1HB SER 3 -17.071 -24.904 2.529
12 HB3 SER 3 2HB SER 3 -16.175 -25.117 1.025
13 HG SER 3 HG SER 3 -16.776 -26.964 2.773
14 H GLY 4 H GLY 4 -13.663 -22.314 3.219
15 HA2 GLY 4 1HA GLY 4 -12.719 -21.075 1.159
16 HA3 GLY 4 2HA GLY 4 -14.418 -20.933 0.732
17 H SER 5 H SER 5 -12.593 -18.774 1.172
18 HA SER 5 HA SER 5 -13.770 -17.568 3.591
19 HB2 SER 5 1HB SER 5 -11.061 -17.158 2.323
20 HB3 SER 5 2HB SER 5 -11.731 -16.038 3.509
21 HG SER 5 HG SER 5 -12.046 -18.255 4.681
22 H SER 6 H SER 6 -15.593 -16.859 2.384
23 HA SER 6 HA SER 6 -15.020 -14.700 0.463
24 HB2 SER 6 1HB SER 6 -16.322 -16.608 -0.450
25 HB3 SER 6 2HB SER 6 -17.570 -16.307 0.759
26 HG SER 6 HG SER 6 -16.725 -14.524 -1.283
27 H GLY 7 H GLY 7 -15.886 -12.692 0.763
28 HA2 GLY 7 1HA GLY 7 -17.999 -11.771 2.115
29 HA3 GLY 7 2HA GLY 7 -16.892 -12.128 3.432
30 H SER 8 H SER 8 -16.465 -10.090 4.127
31 HA SER 8 HA SER 8 -14.829 -8.447 2.356
32 HB2 SER 8 1HB SER 8 -17.459 -7.624 3.525
33 HB3 SER 8 2HB SER 8 -16.184 -6.418 3.353
34 HG SER 8 HG SER 8 -16.166 -7.574 1.078
35 H GLY 9 H GLY 9 -13.026 -7.963 3.407
36 HA2 GLY 9 1HA GLY 9 -13.167 -7.227 6.238
37 HA3 GLY 9 2HA GLY 9 -12.130 -8.578 5.801
38 H GLU 10 H GLU 10 -11.046 -7.676 3.423
39 HA GLU 10 HA GLU 10 -8.849 -6.241 4.203
40 HB2 GLU 10 1HB GLU 10 -10.141 -6.266 1.471
41 HB3 GLU 10 2HB GLU 10 -8.507 -5.711 1.802
42 HG2 GLU 10 1HG GLU 10 -8.019 -8.003 2.700
43 HG3 GLU 10 2HG GLU 10 -9.590 -8.500 2.071
44 H LYS 11 H LYS 11 -8.215 -4.034 3.169
45 HA LYS 11 HA LYS 11 -10.400 -2.115 3.644
46 HB2 LYS 11 1HB LYS 11 -7.498 -1.870 4.456
47 HB3 LYS 11 2HB LYS 11 -8.681 -0.574 4.579
48 HG2 LYS 11 1HG LYS 11 -10.016 -2.334 5.982
49 HG3 LYS 11 2HG LYS 11 -8.423 -3.067 6.186
50 HD2 LYS 11 1HD LYS 11 -7.598 -0.820 6.951
51 HD3 LYS 11 2HD LYS 11 -9.278 -0.279 6.949
52 HE2 LYS 11 1HE LYS 11 -8.493 -2.753 8.437
53 HE3 LYS 11 2HE LYS 11 -8.207 -1.165 9.148
54 HZ1 LYS 11 3HZ LYS 11 -10.774 -2.446 8.466
55 HZ2 LYS 11 1HZ LYS 11 -10.663 -0.762 8.595
56 HZ3 LYS 11 2HZ LYS 11 -10.293 -1.739 9.925
57 HA PRO 12 HA PRO 12 -9.471 -0.491 -0.341
58 HB2 PRO 12 1HB PRO 12 -10.485 2.010 -0.038
59 HB3 PRO 12 2HB PRO 12 -11.503 0.575 -0.215
60 HG2 PRO 12 1HG PRO 12 -10.724 2.049 2.271
61 HG3 PRO 12 2HG PRO 12 -12.305 1.394 1.808
62 HD2 PRO 12 1HD PRO 12 -10.652 0.125 3.536
63 HD3 PRO 12 2HD PRO 12 -11.743 -0.749 2.442
64 H PHE 13 H PHE 13 -8.770 1.711 2.377
65 HA PHE 13 HA PHE 13 -6.671 3.024 0.890
66 HB2 PHE 13 1HB PHE 13 -7.398 3.331 3.809
67 HB3 PHE 13 2HB PHE 13 -6.412 4.429 2.848
68 HD1 PHE 13 HD1 PHE 13 -7.491 5.683 0.956
69 HD2 PHE 13 HD2 PHE 13 -9.731 3.527 3.863
70 HE1 PHE 13 HE1 PHE 13 -9.505 6.958 0.345
71 HE2 PHE 13 HE2 PHE 13 -11.748 4.798 3.256
72 HZ PHE 13 HZ PHE 13 -11.637 6.515 1.495
73 H GLN 14 H GLN 14 -4.682 2.250 0.727
74 HA GLN 14 HA GLN 14 -3.457 0.934 3.031
75 HB2 GLN 14 1HB GLN 14 -3.614 -0.257 0.260
76 HB3 GLN 14 2HB GLN 14 -2.516 -0.829 1.508
77 HG2 GLN 14 1HG GLN 14 -4.756 -0.996 2.898
78 HG3 GLN 14 2HG GLN 14 -5.458 -1.121 1.286
79 HE21 GLN 14 1HE2 GLN 14 -2.849 -2.462 3.271
80 HE22 GLN 14 2HE2 GLN 14 -2.974 -4.072 2.656
81 H CYS 15 H CYS 15 -1.272 1.248 3.213
82 HA CYS 15 HA CYS 15 -0.125 3.489 2.037
83 HB2 CYS 15 1HB CYS 15 0.560 2.024 4.133
84 HB3 CYS 15 2HB CYS 15 1.645 1.270 2.969
85 H GLU 16 H GLU 16 2.221 3.186 0.973
86 HA GLU 16 HA GLU 16 1.814 1.476 -1.392
87 HB2 GLU 16 1HB GLU 16 1.837 4.123 -1.518
88 HB3 GLU 16 2HB GLU 16 3.578 3.879 -1.511
89 HG2 GLU 16 1HG GLU 16 1.920 2.309 -3.415
90 HG3 GLU 16 2HG GLU 16 2.232 4.010 -3.753
91 H GLU 17 H GLU 17 4.055 2.610 1.037
92 HA GLU 17 HA GLU 17 6.232 1.029 -0.093
93 HB2 GLU 17 1HB GLU 17 6.391 2.559 2.485
94 HB3 GLU 17 2HB GLU 17 7.678 2.166 1.354
95 HG2 GLU 17 1HG GLU 17 7.424 4.360 0.862
96 HG3 GLU 17 2HG GLU 17 6.238 3.688 -0.256
97 H CYS 18 H CYS 18 3.908 0.964 2.486
98 HA CYS 18 HA CYS 18 5.012 -1.622 3.361
99 HB2 CYS 18 1HB CYS 18 4.587 -1.141 5.627
100 HB3 CYS 18 2HB CYS 18 5.322 0.329 4.996
101 H GLY 19 H GLY 19 2.566 -0.218 1.773
102 HA2 GLY 19 1HA GLY 19 0.282 -0.621 1.556
103 HA3 GLY 19 2HA GLY 19 0.889 -2.266 1.441
104 H LYS 20 H LYS 20 0.208 0.125 4.000
105 HA LYS 20 HA LYS 20 -0.547 -1.974 5.836
106 HB2 LYS 20 1HB LYS 20 -0.176 0.974 5.980
107 HB3 LYS 20 2HB LYS 20 -1.254 0.239 7.159
108 HG2 LYS 20 1HG LYS 20 1.418 -0.990 6.758
109 HG3 LYS 20 2HG LYS 20 1.323 0.544 7.625
110 HD2 LYS 20 1HD LYS 20 -0.317 -0.454 9.167
111 HD3 LYS 20 2HD LYS 20 -0.161 -1.992 8.315
112 HE2 LYS 20 1HE LYS 20 1.227 -2.138 10.228
113 HE3 LYS 20 2HE LYS 20 2.300 -1.905 8.849
114 HZ1 LYS 20 3HZ LYS 20 1.390 0.295 10.619
115 HZ2 LYS 20 1HZ LYS 20 2.577 0.375 9.416
116 HZ3 LYS 20 2HZ LYS 20 2.853 -0.529 10.819
117 H ARG 21 H ARG 21 -2.644 -1.135 7.227
118 HA ARG 21 HA ARG 21 -4.823 -0.803 5.274
119 HB2 ARG 21 1HB ARG 21 -4.773 -2.653 7.666
120 HB3 ARG 21 2HB ARG 21 -6.185 -2.343 6.665
121 HG2 ARG 21 1HG ARG 21 -5.407 -3.595 4.930
122 HG3 ARG 21 2HG ARG 21 -3.714 -3.282 5.319
123 HD2 ARG 21 1HD ARG 21 -4.175 -5.584 5.783
124 HD3 ARG 21 2HD ARG 21 -3.974 -4.742 7.319
125 HE ARG 21 HE ARG 21 -6.199 -5.119 7.797
126 HH11 ARG 21 1HH1 ARG 21 -5.513 -6.000 4.500
127 HH12 ARG 21 2HH1 ARG 21 -7.027 -6.808 4.263
128 HH21 ARG 21 1HH2 ARG 21 -8.197 -6.178 7.497
129 HH22 ARG 21 2HH2 ARG 21 -8.554 -6.907 5.968
130 H PHE 22 H PHE 22 -6.340 0.671 5.771
131 HA PHE 22 HA PHE 22 -6.675 1.580 8.511
132 HB2 PHE 22 1HB PHE 22 -6.094 3.615 6.363
133 HB3 PHE 22 2HB PHE 22 -6.194 3.870 8.102
134 HD1 PHE 22 HD2 PHE 22 -4.135 2.543 5.371
135 HD2 PHE 22 HD1 PHE 22 -4.338 3.400 9.535
136 HE1 PHE 22 HE2 PHE 22 -1.702 2.233 5.549
137 HE2 PHE 22 HE1 PHE 22 -1.904 3.091 9.720
138 HZ PHE 22 HZ PHE 22 -0.583 2.506 7.726
139 H THR 23 H THR 23 -8.699 2.333 8.933
140 HA THR 23 HA THR 23 -10.725 1.825 6.971
141 HB THR 23 HB THR 23 -11.121 1.341 9.346
142 HG1 THR 23 HG1 THR 23 -12.844 3.409 8.403
143 HG21 THR 23 3HG2 THR 23 -11.144 4.336 9.729
144 HG22 THR 23 1HG2 THR 23 -9.847 3.265 10.258
145 HG23 THR 23 2HG2 THR 23 -11.458 3.113 10.960
146 H GLN 24 H GLN 24 -9.239 4.687 8.377
147 HA GLN 24 HA GLN 24 -10.902 6.371 6.629
148 HB2 GLN 24 1HB GLN 24 -10.700 6.678 9.245
149 HB3 GLN 24 2HB GLN 24 -9.218 7.520 8.812
150 HG2 GLN 24 1HG GLN 24 -10.802 9.207 8.930
151 HG3 GLN 24 2HG GLN 24 -10.677 8.871 7.204
152 HE21 GLN 24 1HE2 GLN 24 -12.704 8.912 9.953
153 HE22 GLN 24 2HE2 GLN 24 -14.152 8.377 9.178
154 H ASN 25 H ASN 25 -9.988 7.510 5.028
155 HA ASN 25 HA ASN 25 -7.459 6.945 4.055
156 HB2 ASN 25 1HB ASN 25 -9.200 7.936 2.664
157 HB3 ASN 25 2HB ASN 25 -9.133 9.425 3.603
158 HD21 ASN 25 1HD2 ASN 25 -8.326 10.917 2.310
159 HD22 ASN 25 2HD2 ASN 25 -6.887 10.765 1.366
160 H SER 26 H SER 26 -8.494 9.488 6.253
161 HA SER 26 HA SER 26 -6.242 11.106 6.246
162 HB2 SER 26 1HB SER 26 -8.202 11.820 7.430
163 HB3 SER 26 2HB SER 26 -8.143 10.414 8.493
164 HG SER 26 HG SER 26 -7.295 12.415 9.395
165 H HIS 27 H HIS 27 -6.924 8.308 8.339
166 HA HIS 27 HA HIS 27 -4.719 8.247 9.926
167 HB2 HIS 27 1HB HIS 27 -6.721 6.538 9.576
168 HB3 HIS 27 2HB HIS 27 -5.500 5.662 8.656
169 HD1 HIS 27 HD1 HIS 27 -6.052 3.934 10.746
170 HD2 HIS 27 HD2 HIS 27 -3.782 7.315 11.570
171 HE1 HIS 27 HE1 HIS 27 -4.874 3.442 12.913
172 H LEU 28 H LEU 28 -4.915 6.932 6.627
173 HA LEU 28 HA LEU 28 -2.267 6.007 6.485
174 HB2 LEU 28 1HB LEU 28 -3.769 5.202 4.872
175 HB3 LEU 28 2HB LEU 28 -4.275 6.827 4.412
176 HG LEU 28 HG LEU 28 -2.068 7.188 3.369
177 HD11 LEU 28 1HD1 LEU 28 -0.352 5.762 3.530
178 HD12 LEU 28 2HD1 LEU 28 -1.382 4.345 3.336
179 HD13 LEU 28 3HD1 LEU 28 -1.224 5.109 4.917
180 HD21 LEU 28 3HD2 LEU 28 -2.473 5.100 1.692
181 HD22 LEU 28 1HD2 LEU 28 -3.410 6.595 1.667
182 HD23 LEU 28 2HD2 LEU 28 -4.033 5.178 2.513
183 H HIS 29 H HIS 29 -3.627 8.926 4.943
184 HA HIS 29 HA HIS 29 -1.478 10.155 3.949
185 HB2 HIS 29 1HB HIS 29 -3.809 11.258 5.462
186 HB3 HIS 29 2HB HIS 29 -2.513 12.351 4.983
187 HD1 HIS 29 HD1 HIS 29 -2.679 13.285 2.690
188 HD2 HIS 29 HD2 HIS 29 -4.962 9.843 3.140
189 HE1 HIS 29 HE1 HIS 29 -3.946 13.031 0.532
190 H SER 30 H SER 30 -2.387 10.474 7.383
191 HA SER 30 HA SER 30 -0.022 11.861 8.108
192 HB2 SER 30 1HB SER 30 -2.157 11.931 9.404
193 HB3 SER 30 2HB SER 30 -1.861 10.267 9.910
194 HG SER 30 HG SER 30 0.193 12.099 10.315
195 H HIS 31 H HIS 31 -1.007 8.465 8.354
196 HA HIS 31 HA HIS 31 1.140 7.449 9.768
197 HB2 HIS 31 1HB HIS 31 -0.534 5.891 9.414
198 HB3 HIS 31 2HB HIS 31 -0.705 6.306 7.711
199 HD1 HIS 31 HD1 HIS 31 1.412 4.264 10.046
200 HD2 HIS 31 HD2 HIS 31 0.894 4.859 5.967
201 HE1 HIS 31 HE1 HIS 31 2.730 2.438 8.928
202 H GLN 32 H GLN 32 0.946 8.408 6.413
203 HA GLN 32 HA GLN 32 3.167 7.140 5.353
204 HB2 GLN 32 1HB GLN 32 2.111 9.908 4.755
205 HB3 GLN 32 2HB GLN 32 3.277 9.046 3.759
206 HG2 GLN 32 1HG GLN 32 1.433 7.195 3.726
207 HG3 GLN 32 2HG GLN 32 0.370 8.538 4.145
208 HE21 GLN 32 1HE2 GLN 32 0.883 6.805 1.674
209 HE22 GLN 32 2HE2 GLN 32 0.975 7.956 0.389
210 H ARG 33 H ARG 33 3.012 9.629 7.707
211 HA ARG 33 HA ARG 33 5.507 10.866 7.315
212 HB2 ARG 33 1HB ARG 33 5.210 11.841 9.431
213 HB3 ARG 33 2HB ARG 33 3.575 11.597 8.831
214 HG2 ARG 33 1HG ARG 33 3.257 9.701 10.233
215 HG3 ARG 33 2HG ARG 33 4.963 9.680 10.685
216 HD2 ARG 33 1HD ARG 33 3.349 12.128 11.222
217 HD3 ARG 33 2HD ARG 33 3.154 10.728 12.276
218 HE ARG 33 HE ARG 33 5.835 11.064 12.188
219 HH11 ARG 33 1HH1 ARG 33 3.179 13.206 12.880
220 HH12 ARG 33 2HH1 ARG 33 4.092 14.197 13.969
221 HH21 ARG 33 1HH2 ARG 33 7.048 12.362 13.619
222 HH22 ARG 33 2HH2 ARG 33 6.293 13.717 14.388
223 H VAL 34 H VAL 34 4.624 7.813 8.681
224 HA VAL 34 HA VAL 34 6.878 7.329 10.291
225 HB VAL 34 HB VAL 34 6.327 4.942 10.066
226 HG11 VAL 34 1HG1 VAL 34 4.888 6.848 11.330
227 HG12 VAL 34 2HG1 VAL 34 3.638 6.106 10.330
228 HG13 VAL 34 3HG1 VAL 34 4.567 5.119 11.459
229 HG21 VAL 34 3HG2 VAL 34 3.927 4.959 8.640
230 HG22 VAL 34 1HG2 VAL 34 5.066 5.867 7.645
231 HG23 VAL 34 2HG2 VAL 34 5.452 4.222 8.150
232 H HIS 35 H HIS 35 6.578 7.574 6.922
233 HA HIS 35 HA HIS 35 9.126 6.150 6.522
234 HB2 HIS 35 1HB HIS 35 7.103 6.831 4.385
235 HB3 HIS 35 2HB HIS 35 8.492 5.758 4.243
236 HD1 HIS 35 HD1 HIS 35 8.314 3.545 5.862
237 HD2 HIS 35 HD2 HIS 35 4.788 5.552 4.969
238 HE1 HIS 35 HE1 HIS 35 6.467 1.912 6.359
239 H THR 36 H THR 36 8.379 9.042 7.294
240 HA THR 36 HA THR 36 8.861 10.925 5.421
241 HB THR 36 HB THR 36 10.404 12.001 7.311
242 HG1 THR 36 HG1 THR 36 10.176 9.739 8.361
243 HG21 THR 36 3HG2 THR 36 8.570 13.216 7.740
244 HG22 THR 36 1HG2 THR 36 7.673 11.812 8.316
245 HG23 THR 36 2HG2 THR 36 7.749 12.162 6.589
246 H GLY 37 H GLY 37 11.329 8.891 6.955
247 HA2 GLY 37 1HA GLY 37 13.010 8.423 4.942
248 HA3 GLY 37 2HA GLY 37 13.421 10.088 5.322
249 H GLU 38 H GLU 38 13.865 6.813 6.143
250 HA GLU 38 HA GLU 38 15.454 7.609 8.494
251 HB2 GLU 38 1HB GLU 38 14.943 5.523 9.551
252 HB3 GLU 38 2HB GLU 38 13.426 6.247 9.038
253 HG2 GLU 38 1HG GLU 38 14.793 4.289 7.255
254 HG3 GLU 38 2HG GLU 38 13.881 3.714 8.649
255 H LYS 39 H LYS 39 17.386 6.394 8.888
256 HA LYS 39 HA LYS 39 18.497 5.194 6.437
257 HB2 LYS 39 1HB LYS 39 19.690 7.198 6.903
258 HB3 LYS 39 2HB LYS 39 19.802 6.818 8.616
259 HG2 LYS 39 1HG LYS 39 21.381 5.083 8.207
260 HG3 LYS 39 2HG LYS 39 21.136 5.196 6.462
261 HD2 LYS 39 1HD LYS 39 23.142 6.343 6.843
262 HD3 LYS 39 2HD LYS 39 21.931 7.619 6.695
263 HE2 LYS 39 1HE LYS 39 21.759 7.595 9.205
264 HE3 LYS 39 2HE LYS 39 23.160 6.525 9.218
265 HZ1 LYS 39 3HZ LYS 39 23.992 8.682 9.518
266 HZ2 LYS 39 1HZ LYS 39 23.022 9.334 8.294
267 HZ3 LYS 39 2HZ LYS 39 24.315 8.317 7.898
268 HA PRO 40 HA PRO 40 18.780 1.429 8.747
269 HB2 PRO 40 1HB PRO 40 20.349 0.074 6.994
270 HB3 PRO 40 2HB PRO 40 18.628 0.363 6.717
271 HG2 PRO 40 1HG PRO 40 20.996 1.831 5.622
272 HG3 PRO 40 2HG PRO 40 19.515 1.319 4.791
273 HD2 PRO 40 1HD PRO 40 19.902 3.860 5.644
274 HD3 PRO 40 2HD PRO 40 18.297 3.103 5.595
275 H SER 41 H SER 41 20.643 -0.164 9.304
276 HA SER 41 HA SER 41 23.212 1.165 9.658
277 HB2 SER 41 1HB SER 41 21.733 1.712 11.652
278 HB3 SER 41 2HB SER 41 21.782 -0.006 12.048
279 HG SER 41 HG SER 41 23.768 1.925 12.239
280 H GLY 42 H GLY 42 24.853 -0.341 10.608
281 HA2 GLY 42 1HA GLY 42 24.205 -3.161 10.033
282 HA3 GLY 42 2HA GLY 42 25.638 -2.415 9.341
283 HA PRO 43 HA PRO 43 27.979 -3.601 12.848
284 HB2 PRO 43 1HB PRO 43 29.766 -1.565 13.023
285 HB3 PRO 43 2HB PRO 43 29.827 -2.789 11.750
286 HG2 PRO 43 1HG PRO 43 28.713 -0.012 11.656
287 HG3 PRO 43 2HG PRO 43 29.702 -0.862 10.454
288 HD2 PRO 43 1HD PRO 43 27.016 -0.610 10.217
289 HD3 PRO 43 2HD PRO 43 27.899 -2.025 9.610
290 H SER 44 H SER 44 26.820 -0.255 12.837
291 HA SER 44 HA SER 44 27.226 0.250 15.585
292 HB2 SER 44 1HB SER 44 26.893 2.078 14.016
293 HB3 SER 44 2HB SER 44 25.273 1.495 13.635
294 HG SER 44 HG SER 44 25.249 1.749 16.199
295 H SER 45 H SER 45 24.341 -0.777 13.778
296 HA SER 45 HA SER 45 22.454 -0.831 15.745
297 HB2 SER 45 1HB SER 45 22.199 -1.513 13.302
298 HB3 SER 45 2HB SER 45 22.769 -3.110 13.789
299 HG SER 45 HG SER 45 20.319 -2.215 13.908
300 H GLY 46 H GLY 46 22.230 -1.803 17.648
301 HA2 GLY 46 1HA GLY 46 24.207 -3.568 18.665
302 HA3 GLY 46 2HA GLY 46 22.694 -3.149 19.453
Start of MODEL 10
1 H1 GLY 1 H GLY 1 -31.640 -16.746 2.974
2 HA2 GLY 1 1HA GLY 1 -29.316 -16.264 3.483
3 HA3 GLY 1 2HA GLY 1 -29.899 -17.420 4.672
4 H SER 2 H SER 2 -29.453 -19.691 4.305
5 HA SER 2 HA SER 2 -27.747 -21.240 4.153
6 HB2 SER 2 1HB SER 2 -29.245 -21.277 2.003
7 HB3 SER 2 2HB SER 2 -27.794 -20.667 1.208
8 HG SER 2 HG SER 2 -27.343 -22.801 2.874
9 H SER 3 H SER 3 -26.628 -18.795 4.818
10 HA SER 3 HA SER 3 -24.181 -18.720 3.176
11 HB2 SER 3 1HB SER 3 -23.869 -16.414 4.156
12 HB3 SER 3 2HB SER 3 -25.264 -16.580 3.089
13 HG SER 3 HG SER 3 -25.852 -15.482 4.973
14 H GLY 4 H GLY 4 -22.245 -17.879 4.527
15 HA2 GLY 4 1HA GLY 4 -21.928 -18.101 7.222
16 HA3 GLY 4 2HA GLY 4 -21.869 -19.767 6.667
17 H SER 5 H SER 5 -20.521 -19.492 4.273
18 HA SER 5 HA SER 5 -17.903 -19.722 4.895
19 HB2 SER 5 1HB SER 5 -18.705 -20.212 2.663
20 HB3 SER 5 2HB SER 5 -19.055 -18.508 2.372
21 HG SER 5 HG SER 5 -17.094 -18.425 1.639
22 H SER 6 H SER 6 -16.146 -18.441 5.233
23 HA SER 6 HA SER 6 -16.698 -15.596 5.681
24 HB2 SER 6 1HB SER 6 -14.633 -17.495 6.769
25 HB3 SER 6 2HB SER 6 -14.414 -15.750 6.893
26 HG SER 6 HG SER 6 -16.602 -17.255 7.899
27 H GLY 7 H GLY 7 -15.396 -13.974 4.829
28 HA2 GLY 7 1HA GLY 7 -13.066 -14.462 3.286
29 HA3 GLY 7 2HA GLY 7 -14.462 -14.295 2.231
30 H SER 8 H SER 8 -12.457 -12.672 4.614
31 HA SER 8 HA SER 8 -12.746 -10.164 3.294
32 HB2 SER 8 1HB SER 8 -14.878 -10.546 4.816
33 HB3 SER 8 2HB SER 8 -13.779 -10.035 6.097
34 HG SER 8 HG SER 8 -13.397 -8.126 4.903
35 H GLY 9 H GLY 9 -11.176 -8.701 3.909
36 HA2 GLY 9 1HA GLY 9 -9.782 -8.431 6.221
37 HA3 GLY 9 2HA GLY 9 -9.000 -9.803 5.449
38 H GLU 10 H GLU 10 -10.046 -6.474 4.737
39 HA GLU 10 HA GLU 10 -7.488 -5.651 3.885
40 HB2 GLU 10 1HB GLU 10 -7.840 -5.423 1.496
41 HB3 GLU 10 2HB GLU 10 -8.011 -7.109 1.964
42 HG2 GLU 10 1HG GLU 10 -10.414 -5.347 1.745
43 HG3 GLU 10 2HG GLU 10 -9.698 -6.077 0.309
44 H LYS 11 H LYS 11 -7.718 -3.506 2.549
45 HA LYS 11 HA LYS 11 -10.150 -2.044 3.202
46 HB2 LYS 11 1HB LYS 11 -7.434 -1.387 4.331
47 HB3 LYS 11 2HB LYS 11 -8.701 -0.175 4.184
48 HG2 LYS 11 1HG LYS 11 -9.223 -2.751 5.610
49 HG3 LYS 11 2HG LYS 11 -8.400 -1.418 6.422
50 HD2 LYS 11 1HD LYS 11 -10.304 0.053 5.874
51 HD3 LYS 11 2HD LYS 11 -11.130 -1.322 5.137
52 HE2 LYS 11 1HE LYS 11 -10.152 -1.597 7.932
53 HE3 LYS 11 2HE LYS 11 -11.578 -0.601 7.644
54 HZ1 LYS 11 3HZ LYS 11 -11.216 -3.488 7.155
55 HZ2 LYS 11 1HZ LYS 11 -12.409 -2.617 6.329
56 HZ3 LYS 11 2HZ LYS 11 -12.441 -2.702 8.018
57 HA PRO 12 HA PRO 12 -9.333 0.005 -0.594
58 HB2 PRO 12 1HB PRO 12 -10.468 2.429 -0.141
59 HB3 PRO 12 2HB PRO 12 -11.414 0.957 -0.391
60 HG2 PRO 12 1HG PRO 12 -10.683 2.325 2.169
61 HG3 PRO 12 2HG PRO 12 -12.234 1.617 1.682
62 HD2 PRO 12 1HD PRO 12 -10.499 0.338 3.321
63 HD3 PRO 12 2HD PRO 12 -11.557 -0.527 2.188
64 H PHE 13 H PHE 13 -8.543 1.843 2.334
65 HA PHE 13 HA PHE 13 -6.516 3.351 0.859
66 HB2 PHE 13 1HB PHE 13 -7.252 3.705 3.762
67 HB3 PHE 13 2HB PHE 13 -6.456 4.857 2.694
68 HD1 PHE 13 HD1 PHE 13 -7.817 5.735 0.702
69 HD2 PHE 13 HD2 PHE 13 -9.546 3.785 4.068
70 HE1 PHE 13 HE1 PHE 13 -9.997 6.740 0.161
71 HE2 PHE 13 HE2 PHE 13 -11.729 4.786 3.531
72 HZ PHE 13 HZ PHE 13 -11.957 6.264 1.575
73 H GLN 14 H GLN 14 -4.716 2.155 0.618
74 HA GLN 14 HA GLN 14 -3.486 1.077 3.064
75 HB2 GLN 14 1HB GLN 14 -3.515 -0.202 0.327
76 HB3 GLN 14 2HB GLN 14 -2.546 -0.766 1.681
77 HG2 GLN 14 1HG GLN 14 -4.816 -0.901 2.922
78 HG3 GLN 14 2HG GLN 14 -5.504 -0.874 1.299
79 HE21 GLN 14 1HE2 GLN 14 -2.829 -2.473 3.005
80 HE22 GLN 14 2HE2 GLN 14 -3.147 -4.050 2.376
81 H CYS 15 H CYS 15 -1.208 1.129 3.150
82 HA CYS 15 HA CYS 15 -0.029 3.403 1.961
83 HB2 CYS 15 1HB CYS 15 0.565 2.031 4.150
84 HB3 CYS 15 2HB CYS 15 1.676 1.210 3.057
85 H GLU 16 H GLU 16 2.220 3.162 0.863
86 HA GLU 16 HA GLU 16 1.925 1.227 -1.340
87 HB2 GLU 16 1HB GLU 16 2.725 4.091 -1.278
88 HB3 GLU 16 2HB GLU 16 3.535 3.052 -2.442
89 HG2 GLU 16 1HG GLU 16 1.778 3.837 -3.680
90 HG3 GLU 16 2HG GLU 16 1.117 2.323 -3.064
91 H GLU 17 H GLU 17 3.953 2.407 1.170
92 HA GLU 17 HA GLU 17 6.306 1.041 0.097
93 HB2 GLU 17 1HB GLU 17 6.686 3.270 0.979
94 HB3 GLU 17 2HB GLU 17 5.959 2.821 2.515
95 HG2 GLU 17 1HG GLU 17 7.772 1.200 2.875
96 HG3 GLU 17 2HG GLU 17 8.515 1.724 1.365
97 H CYS 18 H CYS 18 3.847 0.733 2.519
98 HA CYS 18 HA CYS 18 5.075 -1.796 3.391
99 HB2 CYS 18 1HB CYS 18 4.305 -1.408 5.662
100 HB3 CYS 18 2HB CYS 18 5.324 -0.067 5.149
101 H GLY 19 H GLY 19 2.476 -0.278 1.971
102 HA2 GLY 19 1HA GLY 19 0.288 -0.876 1.554
103 HA3 GLY 19 2HA GLY 19 0.969 -2.494 1.454
104 H LYS 20 H LYS 20 0.036 -0.141 3.967
105 HA LYS 20 HA LYS 20 -0.781 -2.334 5.703
106 HB2 LYS 20 1HB LYS 20 -0.141 0.532 6.051
107 HB3 LYS 20 2HB LYS 20 -1.397 -0.101 7.107
108 HG2 LYS 20 1HG LYS 20 0.386 -2.018 7.478
109 HG3 LYS 20 2HG LYS 20 1.499 -0.731 7.009
110 HD2 LYS 20 1HD LYS 20 0.676 0.687 8.778
111 HD3 LYS 20 2HD LYS 20 -0.572 -0.492 9.191
112 HE2 LYS 20 1HE LYS 20 0.907 -1.899 10.219
113 HE3 LYS 20 2HE LYS 20 2.259 -1.393 9.209
114 HZ1 LYS 20 3HZ LYS 20 2.770 0.303 10.583
115 HZ2 LYS 20 1HZ LYS 20 1.997 -0.664 11.736
116 HZ3 LYS 20 2HZ LYS 20 1.162 0.614 11.008
117 H ARG 21 H ARG 21 -2.859 -1.565 7.088
118 HA ARG 21 HA ARG 21 -4.964 -0.899 5.137
119 HB2 ARG 21 1HB ARG 21 -5.125 -2.943 7.360
120 HB3 ARG 21 2HB ARG 21 -6.445 -2.492 6.288
121 HG2 ARG 21 1HG ARG 21 -5.553 -3.606 4.493
122 HG3 ARG 21 2HG ARG 21 -3.902 -3.490 5.105
123 HD2 ARG 21 1HD ARG 21 -4.218 -5.236 6.625
124 HD3 ARG 21 2HD ARG 21 -5.975 -5.121 6.529
125 HE ARG 21 HE ARG 21 -5.255 -5.816 4.013
126 HH11 ARG 21 1HH1 ARG 21 -4.556 -7.129 7.161
127 HH12 ARG 21 2HH1 ARG 21 -4.404 -8.758 6.591
128 HH21 ARG 21 1HH2 ARG 21 -5.057 -7.957 3.251
129 HH22 ARG 21 2HH2 ARG 21 -4.688 -9.228 4.367
130 H PHE 22 H PHE 22 -6.286 0.706 5.709
131 HA PHE 22 HA PHE 22 -6.488 1.428 8.550
132 HB2 PHE 22 1HB PHE 22 -6.072 3.365 6.263
133 HB3 PHE 22 2HB PHE 22 -6.391 3.819 7.933
134 HD1 PHE 22 HD1 PHE 22 -4.701 3.432 9.668
135 HD2 PHE 22 HD2 PHE 22 -3.914 2.641 5.561
136 HE1 PHE 22 HE1 PHE 22 -2.287 3.379 10.145
137 HE2 PHE 22 HE2 PHE 22 -1.499 2.585 6.031
138 HZ PHE 22 HZ PHE 22 -0.683 2.953 8.325
139 H THR 23 H THR 23 -8.473 2.115 9.231
140 HA THR 23 HA THR 23 -10.713 1.457 7.581
141 HB THR 23 HB THR 23 -10.905 1.016 9.930
142 HG1 THR 23 HG1 THR 23 -12.538 3.226 9.166
143 HG21 THR 23 3HG2 THR 23 -9.502 3.403 10.250
144 HG22 THR 23 1HG2 THR 23 -10.126 2.365 11.530
145 HG23 THR 23 2HG2 THR 23 -11.092 3.719 10.944
146 H GLN 24 H GLN 24 -8.872 4.275 8.044
147 HA GLN 24 HA GLN 24 -10.873 5.831 6.567
148 HB2 GLN 24 1HB GLN 24 -9.390 6.716 9.041
149 HB3 GLN 24 2HB GLN 24 -10.180 7.840 7.943
150 HG2 GLN 24 1HG GLN 24 -11.606 5.584 9.325
151 HG3 GLN 24 2HG GLN 24 -11.501 7.221 9.969
152 HE21 GLN 24 1HE2 GLN 24 -13.465 5.197 8.390
153 HE22 GLN 24 2HE2 GLN 24 -14.408 6.320 7.477
154 H ASN 25 H ASN 25 -9.872 7.872 5.649
155 HA ASN 25 HA ASN 25 -7.458 7.130 4.263
156 HB2 ASN 25 1HB ASN 25 -7.797 9.337 3.099
157 HB3 ASN 25 2HB ASN 25 -9.154 8.222 2.968
158 HD21 ASN 25 1HD2 ASN 25 -8.101 11.285 3.993
159 HD22 ASN 25 2HD2 ASN 25 -9.594 11.834 4.667
160 H SER 26 H SER 26 -8.427 9.798 6.412
161 HA SER 26 HA SER 26 -6.173 11.287 6.554
162 HB2 SER 26 1HB SER 26 -8.361 11.504 7.903
163 HB3 SER 26 2HB SER 26 -7.571 10.474 9.097
164 HG SER 26 HG SER 26 -6.072 12.025 9.458
165 H HIS 27 H HIS 27 -6.743 8.273 8.342
166 HA HIS 27 HA HIS 27 -4.424 8.165 9.837
167 HB2 HIS 27 1HB HIS 27 -6.037 5.959 8.558
168 HB3 HIS 27 2HB HIS 27 -4.682 5.639 9.637
169 HD1 HIS 27 HD1 HIS 27 -8.076 5.460 9.863
170 HD2 HIS 27 HD2 HIS 27 -5.293 7.592 12.092
171 HE1 HIS 27 HE1 HIS 27 -9.201 5.942 12.060
172 H LEU 28 H LEU 28 -4.920 7.301 6.456
173 HA LEU 28 HA LEU 28 -2.327 6.187 6.070
174 HB2 LEU 28 1HB LEU 28 -3.961 5.495 4.546
175 HB3 LEU 28 2HB LEU 28 -4.493 7.146 4.232
176 HG LEU 28 HG LEU 28 -2.325 7.541 3.057
177 HD11 LEU 28 1HD1 LEU 28 -2.016 4.591 3.558
178 HD12 LEU 28 2HD1 LEU 28 -0.910 5.891 3.999
179 HD13 LEU 28 3HD1 LEU 28 -1.130 5.459 2.304
180 HD21 LEU 28 3HD2 LEU 28 -2.971 5.843 1.146
181 HD22 LEU 28 1HD2 LEU 28 -4.007 7.214 1.545
182 HD23 LEU 28 2HD2 LEU 28 -4.398 5.606 2.157
183 H HIS 29 H HIS 29 -3.768 9.313 5.146
184 HA HIS 29 HA HIS 29 -1.625 10.510 3.935
185 HB2 HIS 29 1HB HIS 29 -3.605 11.800 5.824
186 HB3 HIS 29 2HB HIS 29 -2.559 12.673 4.707
187 HD1 HIS 29 HD1 HIS 29 -5.696 12.771 4.619
188 HD2 HIS 29 HD2 HIS 29 -3.288 10.372 2.230
189 HE1 HIS 29 HE1 HIS 29 -7.073 12.257 2.579
190 H SER 30 H SER 30 -2.351 10.570 7.423
191 HA SER 30 HA SER 30 0.059 11.924 8.107
192 HB2 SER 30 1HB SER 30 -1.765 10.280 9.879
193 HB3 SER 30 2HB SER 30 -0.558 11.445 10.423
194 HG SER 30 HG SER 30 -2.786 12.068 8.778
195 H HIS 31 H HIS 31 -0.958 8.537 8.139
196 HA HIS 31 HA HIS 31 1.196 7.386 9.434
197 HB2 HIS 31 1HB HIS 31 -0.635 5.984 8.913
198 HB3 HIS 31 2HB HIS 31 -0.557 6.381 7.199
199 HD1 HIS 31 HD1 HIS 31 0.992 4.191 9.795
200 HD2 HIS 31 HD2 HIS 31 1.341 4.937 5.723
201 HE1 HIS 31 HE1 HIS 31 2.403 2.318 8.887
202 H GLN 32 H GLN 32 0.958 8.582 6.151
203 HA GLN 32 HA GLN 32 3.149 7.396 4.963
204 HB2 GLN 32 1HB GLN 32 1.724 9.979 4.599
205 HB3 GLN 32 2HB GLN 32 3.297 9.812 3.829
206 HG2 GLN 32 1HG GLN 32 2.577 8.190 2.386
207 HG3 GLN 32 2HG GLN 32 1.291 7.649 3.463
208 HE21 GLN 32 1HE2 GLN 32 0.136 7.741 1.347
209 HE22 GLN 32 2HE2 GLN 32 -0.629 9.231 0.924
210 H ARG 33 H ARG 33 3.037 10.077 7.228
211 HA ARG 33 HA ARG 33 5.690 10.961 6.941
212 HB2 ARG 33 1HB ARG 33 4.065 11.034 9.484
213 HB3 ARG 33 2HB ARG 33 5.380 12.108 9.026
214 HG2 ARG 33 1HG ARG 33 2.996 11.981 7.259
215 HG3 ARG 33 2HG ARG 33 2.857 12.828 8.801
216 HD2 ARG 33 1HD ARG 33 3.544 14.536 7.430
217 HD3 ARG 33 2HD ARG 33 5.094 13.953 8.035
218 HE ARG 33 HE ARG 33 4.810 12.525 5.789
219 HH11 ARG 33 1HH1 ARG 33 4.422 15.924 6.434
220 HH12 ARG 33 2HH1 ARG 33 4.891 16.413 4.840
221 HH21 ARG 33 1HH2 ARG 33 5.428 13.156 3.686
222 HH22 ARG 33 2HH2 ARG 33 5.462 14.838 3.277
223 H VAL 34 H VAL 34 4.320 8.225 8.563
224 HA VAL 34 HA VAL 34 6.338 7.677 10.429
225 HB VAL 34 HB VAL 34 4.568 5.729 8.944
226 HG11 VAL 34 1HG1 VAL 34 5.053 4.474 11.229
227 HG12 VAL 34 2HG1 VAL 34 6.107 4.296 9.825
228 HG13 VAL 34 3HG1 VAL 34 6.551 5.398 11.129
229 HG21 VAL 34 3HG2 VAL 34 4.116 6.555 11.767
230 HG22 VAL 34 1HG2 VAL 34 3.642 7.663 10.479
231 HG23 VAL 34 2HG2 VAL 34 2.958 6.038 10.542
232 H HIS 35 H HIS 35 6.474 7.677 7.067
233 HA HIS 35 HA HIS 35 8.804 5.874 7.063
234 HB2 HIS 35 1HB HIS 35 7.004 6.687 4.771
235 HB3 HIS 35 2HB HIS 35 8.423 5.655 4.623
236 HD1 HIS 35 HD1 HIS 35 8.200 3.484 6.462
237 HD2 HIS 35 HD2 HIS 35 4.760 5.206 4.893
238 HE1 HIS 35 HE1 HIS 35 6.395 1.756 6.742
239 H THR 36 H THR 36 8.369 8.916 7.568
240 HA THR 36 HA THR 36 9.445 10.529 5.667
241 HB THR 36 HB THR 36 10.670 11.684 7.677
242 HG1 THR 36 HG1 THR 36 8.851 10.034 9.108
243 HG21 THR 36 3HG2 THR 36 7.834 11.501 6.938
244 HG22 THR 36 1HG2 THR 36 8.861 12.919 7.147
245 HG23 THR 36 2HG2 THR 36 8.132 12.143 8.553
246 H GLY 37 H GLY 37 11.179 10.322 4.418
247 HA2 GLY 37 1HA GLY 37 13.766 9.772 5.603
248 HA3 GLY 37 2HA GLY 37 13.191 8.534 4.496
249 H GLU 38 H GLU 38 13.413 12.096 4.595
250 HA GLU 38 HA GLU 38 14.476 11.986 1.848
251 HB2 GLU 38 1HB GLU 38 12.139 12.971 2.149
252 HB3 GLU 38 2HB GLU 38 12.922 14.304 2.986
253 HG2 GLU 38 1HG GLU 38 13.880 15.125 1.084
254 HG3 GLU 38 2HG GLU 38 13.915 13.552 0.290
255 H LYS 39 H LYS 39 16.148 11.802 4.057
256 HA LYS 39 HA LYS 39 17.753 14.194 3.685
257 HB2 LYS 39 1HB LYS 39 18.079 14.579 6.071
258 HB3 LYS 39 2HB LYS 39 16.379 14.736 5.648
259 HG2 LYS 39 1HG LYS 39 16.227 12.254 6.379
260 HG3 LYS 39 2HG LYS 39 17.748 12.589 7.208
261 HD2 LYS 39 1HD LYS 39 16.624 14.530 8.314
262 HD3 LYS 39 2HD LYS 39 15.104 13.986 7.601
263 HE2 LYS 39 1HE LYS 39 16.777 12.115 9.234
264 HE3 LYS 39 2HE LYS 39 15.703 13.271 10.020
265 HZ1 LYS 39 3HZ LYS 39 14.866 11.251 8.009
266 HZ2 LYS 39 1HZ LYS 39 13.846 12.334 8.814
267 HZ3 LYS 39 2HZ LYS 39 14.640 11.118 9.680
268 HA PRO 40 HA PRO 40 21.064 11.310 3.778
269 HB2 PRO 40 1HB PRO 40 23.093 12.887 4.654
270 HB3 PRO 40 2HB PRO 40 22.407 13.018 3.030
271 HG2 PRO 40 1HG PRO 40 21.862 14.685 5.456
272 HG3 PRO 40 2HG PRO 40 22.101 15.199 3.776
273 HD2 PRO 40 1HD PRO 40 19.646 14.989 4.899
274 HD3 PRO 40 2HD PRO 40 19.938 14.678 3.175
275 H SER 41 H SER 41 23.023 10.719 5.298
276 HA SER 41 HA SER 41 21.962 9.632 7.644
277 HB2 SER 41 1HB SER 41 24.388 9.216 8.249
278 HB3 SER 41 2HB SER 41 23.888 8.600 6.674
279 HG SER 41 HG SER 41 25.462 10.863 7.273
280 H GLY 42 H GLY 42 24.039 12.480 7.179
281 HA2 GLY 42 1HA GLY 42 24.644 14.157 8.643
282 HA3 GLY 42 2HA GLY 42 22.932 14.133 9.040
283 HA PRO 43 HA PRO 43 25.439 11.492 12.283
284 HB2 PRO 43 1HB PRO 43 27.987 12.365 12.626
285 HB3 PRO 43 2HB PRO 43 27.558 11.074 11.498
286 HG2 PRO 43 1HG PRO 43 28.070 13.973 10.954
287 HG3 PRO 43 2HG PRO 43 28.611 12.552 10.043
288 HD2 PRO 43 1HD PRO 43 26.499 14.060 9.270
289 HD3 PRO 43 2HD PRO 43 26.585 12.313 8.969
290 H SER 44 H SER 44 25.129 14.788 11.716
291 HA SER 44 HA SER 44 26.083 16.017 14.008
292 HB2 SER 44 1HB SER 44 24.477 17.788 13.569
293 HB3 SER 44 2HB SER 44 25.133 17.207 12.039
294 HG SER 44 HG SER 44 22.757 16.108 13.067
295 H SER 45 H SER 45 24.898 16.807 15.892
296 HA SER 45 HA SER 45 23.799 14.787 17.425
297 HB2 SER 45 1HB SER 45 24.714 16.920 18.320
298 HB3 SER 45 2HB SER 45 23.267 17.751 17.747
299 HG SER 45 HG SER 45 23.578 16.576 20.050
300 H GLY 46 H GLY 46 21.670 14.361 18.171
301 HA2 GLY 46 1HA GLY 46 19.613 15.068 16.180
302 HA3 GLY 46 2HA GLY 46 19.609 13.606 17.156
Start of MODEL 11
1 H1 GLY 1 H GLY 1 -2.786 -19.340 5.295
2 HA2 GLY 1 1HA GLY 1 -5.112 -18.576 3.970
3 HA3 GLY 1 2HA GLY 1 -5.269 -20.291 4.320
4 H SER 2 H SER 2 -3.950 -17.516 6.128
5 HA SER 2 HA SER 2 -5.560 -18.383 8.431
6 HB2 SER 2 1HB SER 2 -2.917 -17.006 8.171
7 HB3 SER 2 2HB SER 2 -3.892 -16.709 9.610
8 HG SER 2 HG SER 2 -3.566 -18.707 10.262
9 H SER 3 H SER 3 -7.460 -17.342 7.611
10 HA SER 3 HA SER 3 -7.446 -14.473 7.264
11 HB2 SER 3 1HB SER 3 -9.929 -14.797 6.966
12 HB3 SER 3 2HB SER 3 -8.929 -15.714 5.839
13 HG SER 3 HG SER 3 -10.096 -17.325 6.537
14 H GLY 4 H GLY 4 -9.219 -16.689 9.437
15 HA2 GLY 4 1HA GLY 4 -9.531 -16.457 11.742
16 HA3 GLY 4 2HA GLY 4 -8.780 -14.870 11.660
17 H SER 5 H SER 5 -11.065 -15.334 13.160
18 HA SER 5 HA SER 5 -13.466 -14.741 11.795
19 HB2 SER 5 1HB SER 5 -13.070 -15.652 14.216
20 HB3 SER 5 2HB SER 5 -13.021 -13.945 14.655
21 HG SER 5 HG SER 5 -15.119 -14.303 14.778
22 H SER 6 H SER 6 -13.056 -13.007 10.401
23 HA SER 6 HA SER 6 -13.197 -10.397 11.699
24 HB2 SER 6 1HB SER 6 -10.760 -11.073 11.018
25 HB3 SER 6 2HB SER 6 -11.310 -10.699 9.385
26 HG SER 6 HG SER 6 -11.666 -8.895 11.529
27 H GLY 7 H GLY 7 -14.019 -8.720 10.325
28 HA2 GLY 7 1HA GLY 7 -15.589 -9.810 8.077
29 HA3 GLY 7 2HA GLY 7 -16.075 -8.442 9.066
30 H SER 8 H SER 8 -14.436 -6.571 9.011
31 HA SER 8 HA SER 8 -13.981 -5.959 6.202
32 HB2 SER 8 1HB SER 8 -13.975 -4.291 8.715
33 HB3 SER 8 2HB SER 8 -13.436 -3.650 7.163
34 HG SER 8 HG SER 8 -15.440 -3.506 6.548
35 H GLY 9 H GLY 9 -12.234 -7.883 7.009
36 HA2 GLY 9 1HA GLY 9 -9.840 -7.275 8.161
37 HA3 GLY 9 2HA GLY 9 -9.987 -8.343 6.773
38 H GLU 10 H GLU 10 -9.871 -7.375 4.631
39 HA GLU 10 HA GLU 10 -7.677 -5.655 4.357
40 HB2 GLU 10 1HB GLU 10 -9.836 -6.395 2.377
41 HB3 GLU 10 2HB GLU 10 -8.374 -5.515 1.955
42 HG2 GLU 10 1HG GLU 10 -7.719 -7.617 1.415
43 HG3 GLU 10 2HG GLU 10 -7.210 -7.580 3.102
44 H LYS 11 H LYS 11 -7.732 -3.571 3.098
45 HA LYS 11 HA LYS 11 -10.103 -1.942 3.606
46 HB2 LYS 11 1HB LYS 11 -7.381 -1.468 4.783
47 HB3 LYS 11 2HB LYS 11 -8.459 -0.118 4.457
48 HG2 LYS 11 1HG LYS 11 -9.214 -2.481 6.158
49 HG3 LYS 11 2HG LYS 11 -8.528 -0.985 6.796
50 HD2 LYS 11 1HD LYS 11 -10.405 0.281 5.944
51 HD3 LYS 11 2HD LYS 11 -11.067 -1.162 5.174
52 HE2 LYS 11 1HE LYS 11 -11.022 -2.147 7.576
53 HE3 LYS 11 2HE LYS 11 -10.921 -0.461 8.080
54 HZ1 LYS 11 3HZ LYS 11 -13.102 -1.801 6.600
55 HZ2 LYS 11 1HZ LYS 11 -12.946 -0.116 6.617
56 HZ3 LYS 11 2HZ LYS 11 -13.187 -0.957 8.064
57 HA PRO 12 HA PRO 12 -9.136 -0.205 -0.311
58 HB2 PRO 12 1HB PRO 12 -10.254 2.256 -0.053
59 HB3 PRO 12 2HB PRO 12 -11.211 0.781 -0.240
60 HG2 PRO 12 1HG PRO 12 -10.546 2.304 2.250
61 HG3 PRO 12 2HG PRO 12 -12.090 1.583 1.758
62 HD2 PRO 12 1HD PRO 12 -10.426 0.394 3.533
63 HD3 PRO 12 2HD PRO 12 -11.458 -0.531 2.423
64 H PHE 13 H PHE 13 -8.470 1.882 2.488
65 HA PHE 13 HA PHE 13 -6.437 3.337 1.012
66 HB2 PHE 13 1HB PHE 13 -7.081 3.608 3.947
67 HB3 PHE 13 2HB PHE 13 -6.309 4.790 2.895
68 HD1 PHE 13 HD1 PHE 13 -7.699 5.784 1.007
69 HD2 PHE 13 HD2 PHE 13 -9.384 3.629 4.268
70 HE1 PHE 13 HE1 PHE 13 -9.888 6.809 0.550
71 HE2 PHE 13 HE2 PHE 13 -11.576 4.650 3.815
72 HZ PHE 13 HZ PHE 13 -11.831 6.242 1.953
73 H GLN 14 H GLN 14 -4.758 1.947 0.629
74 HA GLN 14 HA GLN 14 -3.400 0.864 3.010
75 HB2 GLN 14 1HB GLN 14 -3.332 -0.270 0.209
76 HB3 GLN 14 2HB GLN 14 -2.558 -0.955 1.632
77 HG2 GLN 14 1HG GLN 14 -4.656 -1.488 2.616
78 HG3 GLN 14 2HG GLN 14 -5.529 -0.579 1.383
79 HE21 GLN 14 1HE2 GLN 14 -2.816 -2.771 0.916
80 HE22 GLN 14 2HE2 GLN 14 -3.680 -3.932 -0.027
81 H CYS 15 H CYS 15 -1.228 1.198 3.225
82 HA CYS 15 HA CYS 15 -0.079 3.439 2.009
83 HB2 CYS 15 1HB CYS 15 0.535 2.159 4.213
84 HB3 CYS 15 2HB CYS 15 1.630 1.265 3.163
85 H GLU 16 H GLU 16 2.229 3.230 0.977
86 HA GLU 16 HA GLU 16 1.997 1.328 -1.261
87 HB2 GLU 16 1HB GLU 16 1.898 3.968 -1.549
88 HB3 GLU 16 2HB GLU 16 3.648 3.798 -1.506
89 HG2 GLU 16 1HG GLU 16 2.018 2.095 -3.339
90 HG3 GLU 16 2HG GLU 16 2.410 3.757 -3.775
91 H GLU 17 H GLU 17 3.995 2.544 1.278
92 HA GLU 17 HA GLU 17 6.358 1.160 0.258
93 HB2 GLU 17 1HB GLU 17 6.407 3.505 1.298
94 HB3 GLU 17 2HB GLU 17 6.177 2.695 2.841
95 HG2 GLU 17 1HG GLU 17 8.534 3.225 2.342
96 HG3 GLU 17 2HG GLU 17 8.238 1.506 2.598
97 H CYS 18 H CYS 18 3.828 0.815 2.579
98 HA CYS 18 HA CYS 18 5.053 -1.695 3.499
99 HB2 CYS 18 1HB CYS 18 4.246 -1.309 5.755
100 HB3 CYS 18 2HB CYS 18 5.263 0.040 5.259
101 H GLY 19 H GLY 19 2.514 -0.224 1.972
102 HA2 GLY 19 1HA GLY 19 0.303 -0.791 1.580
103 HA3 GLY 19 2HA GLY 19 1.009 -2.390 1.401
104 H LYS 20 H LYS 20 0.051 -0.182 4.034
105 HA LYS 20 HA LYS 20 -0.743 -2.471 5.652
106 HB2 LYS 20 1HB LYS 20 -0.175 0.397 6.151
107 HB3 LYS 20 2HB LYS 20 -1.376 -0.355 7.193
108 HG2 LYS 20 1HG LYS 20 0.479 -2.211 7.420
109 HG3 LYS 20 2HG LYS 20 1.540 -0.875 6.969
110 HD2 LYS 20 1HD LYS 20 1.502 -0.762 9.292
111 HD3 LYS 20 2HD LYS 20 0.297 0.436 8.813
112 HE2 LYS 20 1HE LYS 20 -1.488 -0.960 9.399
113 HE3 LYS 20 2HE LYS 20 -0.473 -2.401 9.412
114 HZ1 LYS 20 3HZ LYS 20 -1.125 -1.505 11.645
115 HZ2 LYS 20 1HZ LYS 20 -0.124 -0.176 11.337
116 HZ3 LYS 20 2HZ LYS 20 0.536 -1.731 11.418
117 H ARG 21 H ARG 21 -2.823 -1.684 7.101
118 HA ARG 21 HA ARG 21 -4.943 -1.082 5.144
119 HB2 ARG 21 1HB ARG 21 -4.949 -3.087 7.401
120 HB3 ARG 21 2HB ARG 21 -6.407 -2.574 6.562
121 HG2 ARG 21 1HG ARG 21 -5.838 -3.662 4.620
122 HG3 ARG 21 2HG ARG 21 -4.111 -3.630 4.983
123 HD2 ARG 21 1HD ARG 21 -4.359 -5.340 6.636
124 HD3 ARG 21 2HD ARG 21 -6.117 -5.262 6.528
125 HE ARG 21 HE ARG 21 -6.030 -6.598 4.667
126 HH11 ARG 21 1HH1 ARG 21 -2.843 -5.381 5.362
127 HH12 ARG 21 2HH1 ARG 21 -2.060 -6.394 4.195
128 HH21 ARG 21 1HH2 ARG 21 -5.011 -7.936 3.127
129 HH22 ARG 21 2HH2 ARG 21 -3.294 -7.846 2.923
130 H PHE 22 H PHE 22 -6.280 0.536 5.648
131 HA PHE 22 HA PHE 22 -6.502 1.386 8.446
132 HB2 PHE 22 1HB PHE 22 -6.007 3.273 6.134
133 HB3 PHE 22 2HB PHE 22 -6.262 3.737 7.813
134 HD1 PHE 22 HD1 PHE 22 -4.548 3.235 9.509
135 HD2 PHE 22 HD2 PHE 22 -3.897 2.496 5.368
136 HE1 PHE 22 HE1 PHE 22 -2.128 3.076 9.922
137 HE2 PHE 22 HE2 PHE 22 -1.475 2.335 5.774
138 HZ PHE 22 HZ PHE 22 -0.588 2.624 8.054
139 H THR 23 H THR 23 -8.416 2.557 8.945
140 HA THR 23 HA THR 23 -10.689 1.701 7.425
141 HB THR 23 HB THR 23 -12.010 2.968 9.120
142 HG1 THR 23 HG1 THR 23 -9.805 3.368 10.737
143 HG21 THR 23 3HG2 THR 23 -11.669 0.729 9.694
144 HG22 THR 23 1HG2 THR 23 -11.112 1.606 11.118
145 HG23 THR 23 2HG2 THR 23 -9.942 0.962 9.965
146 H GLN 24 H GLN 24 -9.417 4.914 8.313
147 HA GLN 24 HA GLN 24 -10.911 6.034 6.037
148 HB2 GLN 24 1HB GLN 24 -9.878 7.426 8.514
149 HB3 GLN 24 2HB GLN 24 -10.755 8.200 7.201
150 HG2 GLN 24 1HG GLN 24 -11.766 6.219 9.209
151 HG3 GLN 24 2HG GLN 24 -12.334 7.858 8.892
152 HE21 GLN 24 1HE2 GLN 24 -12.804 4.597 8.280
153 HE22 GLN 24 2HE2 GLN 24 -13.941 4.737 6.987
154 H ASN 25 H ASN 25 -9.815 8.106 5.173
155 HA ASN 25 HA ASN 25 -7.265 7.340 4.149
156 HB2 ASN 25 1HB ASN 25 -7.345 9.602 3.043
157 HB3 ASN 25 2HB ASN 25 -8.730 8.568 2.703
158 HD21 ASN 25 1HD2 ASN 25 -8.832 11.283 2.319
159 HD22 ASN 25 2HD2 ASN 25 -9.912 11.986 3.469
160 H SER 26 H SER 26 -8.352 9.960 6.295
161 HA SER 26 HA SER 26 -6.122 11.374 6.773
162 HB2 SER 26 1HB SER 26 -8.423 11.450 7.974
163 HB3 SER 26 2HB SER 26 -7.671 10.369 9.147
164 HG SER 26 HG SER 26 -6.901 13.001 8.446
165 H HIS 27 H HIS 27 -6.868 8.338 8.486
166 HA HIS 27 HA HIS 27 -4.617 8.084 10.025
167 HB2 HIS 27 1HB HIS 27 -6.318 6.031 8.636
168 HB3 HIS 27 2HB HIS 27 -4.931 5.545 9.606
169 HD1 HIS 27 HD1 HIS 27 -5.550 4.970 11.917
170 HD2 HIS 27 HD2 HIS 27 -8.073 7.865 10.331
171 HE1 HIS 27 HE1 HIS 27 -7.233 5.458 13.722
172 H LEU 28 H LEU 28 -4.984 7.315 6.600
173 HA LEU 28 HA LEU 28 -2.357 6.213 6.327
174 HB2 LEU 28 1HB LEU 28 -3.825 5.415 4.735
175 HB3 LEU 28 2HB LEU 28 -4.545 6.999 4.457
176 HG LEU 28 HG LEU 28 -2.347 7.636 3.349
177 HD11 LEU 28 1HD1 LEU 28 -1.047 5.757 4.299
178 HD12 LEU 28 2HD1 LEU 28 -0.943 5.857 2.541
179 HD13 LEU 28 3HD1 LEU 28 -1.979 4.645 3.296
180 HD21 LEU 28 3HD2 LEU 28 -3.602 5.412 1.826
181 HD22 LEU 28 1HD2 LEU 28 -3.183 7.044 1.307
182 HD23 LEU 28 2HD2 LEU 28 -4.612 6.776 2.306
183 H HIS 29 H HIS 29 -3.817 9.199 5.023
184 HA HIS 29 HA HIS 29 -1.680 10.440 3.942
185 HB2 HIS 29 1HB HIS 29 -3.838 11.662 5.667
186 HB3 HIS 29 2HB HIS 29 -2.690 12.619 4.735
187 HD1 HIS 29 HD1 HIS 29 -4.679 13.579 3.344
188 HD2 HIS 29 HD2 HIS 29 -4.138 9.475 2.991
189 HE1 HIS 29 HE1 HIS 29 -6.052 12.888 1.353
190 H SER 30 H SER 30 -2.438 10.347 7.404
191 HA SER 30 HA SER 30 -0.085 11.857 8.105
192 HB2 SER 30 1HB SER 30 -2.161 12.002 9.446
193 HB3 SER 30 2HB SER 30 -1.982 10.302 9.882
194 HG SER 30 HG SER 30 0.240 11.863 10.354
195 H HIS 31 H HIS 31 -1.150 8.485 8.426
196 HA HIS 31 HA HIS 31 0.952 7.386 9.790
197 HB2 HIS 31 1HB HIS 31 -0.677 5.827 9.346
198 HB3 HIS 31 2HB HIS 31 -0.886 6.361 7.681
199 HD1 HIS 31 HD1 HIS 31 1.126 4.050 9.808
200 HD2 HIS 31 HD2 HIS 31 0.824 5.148 5.813
201 HE1 HIS 31 HE1 HIS 31 2.453 2.333 8.537
202 H GLN 32 H GLN 32 0.805 8.156 6.342
203 HA GLN 32 HA GLN 32 3.081 6.990 5.389
204 HB2 GLN 32 1HB GLN 32 1.749 9.596 4.754
205 HB3 GLN 32 2HB GLN 32 3.265 9.180 3.968
206 HG2 GLN 32 1HG GLN 32 2.337 7.365 2.856
207 HG3 GLN 32 2HG GLN 32 0.958 7.278 3.951
208 HE21 GLN 32 1HE2 GLN 32 0.713 7.281 1.179
209 HE22 GLN 32 2HE2 GLN 32 -0.083 8.736 0.694
210 H ARG 33 H ARG 33 2.830 9.792 7.468
211 HA ARG 33 HA ARG 33 5.238 11.024 7.262
212 HB2 ARG 33 1HB ARG 33 3.594 10.351 9.686
213 HB3 ARG 33 2HB ARG 33 5.101 11.244 9.837
214 HG2 ARG 33 1HG ARG 33 4.079 12.819 8.066
215 HG3 ARG 33 2HG ARG 33 2.549 12.063 8.517
216 HD2 ARG 33 1HD ARG 33 2.631 12.890 10.681
217 HD3 ARG 33 2HD ARG 33 4.377 13.130 10.628
218 HE ARG 33 HE ARG 33 2.901 14.790 8.795
219 HH11 ARG 33 1HH1 ARG 33 4.162 14.482 12.025
220 HH12 ARG 33 2HH1 ARG 33 4.200 16.190 12.313
221 HH21 ARG 33 1HH2 ARG 33 2.946 17.040 9.162
222 HH22 ARG 33 2HH2 ARG 33 3.508 17.644 10.684
223 H VAL 34 H VAL 34 4.607 7.890 8.718
224 HA VAL 34 HA VAL 34 6.983 7.436 10.061
225 HB VAL 34 HB VAL 34 6.577 5.067 9.804
226 HG11 VAL 34 1HG1 VAL 34 4.201 6.828 10.253
227 HG12 VAL 34 2HG1 VAL 34 4.044 5.072 10.349
228 HG13 VAL 34 3HG1 VAL 34 5.157 5.920 11.424
229 HG21 VAL 34 3HG2 VAL 34 4.777 5.930 7.557
230 HG22 VAL 34 1HG2 VAL 34 6.122 4.790 7.514
231 HG23 VAL 34 2HG2 VAL 34 4.623 4.353 8.333
232 H HIS 35 H HIS 35 6.252 6.999 6.626
233 HA HIS 35 HA HIS 35 9.002 6.184 6.097
234 HB2 HIS 35 1HB HIS 35 6.826 6.544 4.044
235 HB3 HIS 35 2HB HIS 35 8.275 5.549 3.934
236 HD1 HIS 35 HD1 HIS 35 8.270 3.526 5.865
237 HD2 HIS 35 HD2 HIS 35 4.627 5.103 4.640
238 HE1 HIS 35 HE1 HIS 35 6.546 1.808 6.499
239 H THR 36 H THR 36 8.047 8.971 6.881
240 HA THR 36 HA THR 36 8.291 10.727 4.719
241 HB THR 36 HB THR 36 7.473 11.410 6.951
242 HG1 THR 36 HG1 THR 36 8.396 12.937 5.381
243 HG21 THR 36 3HG2 THR 36 10.294 11.690 7.889
244 HG22 THR 36 1HG2 THR 36 9.477 10.138 8.070
245 HG23 THR 36 2HG2 THR 36 8.805 11.583 8.826
246 H GLY 37 H GLY 37 10.686 8.944 6.478
247 HA2 GLY 37 1HA GLY 37 12.804 8.594 5.283
248 HA3 GLY 37 2HA GLY 37 12.782 10.310 4.906
249 H GLU 38 H GLU 38 12.843 8.072 7.669
250 HA GLU 38 HA GLU 38 14.477 10.057 9.109
251 HB2 GLU 38 1HB GLU 38 12.190 9.404 10.061
252 HB3 GLU 38 2HB GLU 38 12.911 7.840 10.413
253 HG2 GLU 38 1HG GLU 38 14.264 10.315 11.366
254 HG3 GLU 38 2HG GLU 38 12.845 9.715 12.222
255 H LYS 39 H LYS 39 16.296 9.349 10.249
256 HA LYS 39 HA LYS 39 17.094 6.633 10.401
257 HB2 LYS 39 1HB LYS 39 18.839 6.547 8.782
258 HB3 LYS 39 2HB LYS 39 17.396 7.100 7.942
259 HG2 LYS 39 1HG LYS 39 18.211 9.231 7.657
260 HG3 LYS 39 2HG LYS 39 19.314 9.107 9.030
261 HD2 LYS 39 1HD LYS 39 20.735 9.002 7.189
262 HD3 LYS 39 2HD LYS 39 20.509 7.306 7.622
263 HE2 LYS 39 1HE LYS 39 18.924 8.752 5.505
264 HE3 LYS 39 2HE LYS 39 20.347 7.764 5.179
265 HZ1 LYS 39 3HZ LYS 39 18.751 6.206 4.887
266 HZ2 LYS 39 1HZ LYS 39 17.650 6.948 5.936
267 HZ3 LYS 39 2HZ LYS 39 18.928 6.032 6.560
268 HA PRO 40 HA PRO 40 19.639 8.455 13.494
269 HB2 PRO 40 1HB PRO 40 21.382 6.412 13.890
270 HB3 PRO 40 2HB PRO 40 19.709 6.370 14.456
271 HG2 PRO 40 1HG PRO 40 20.912 5.137 12.008
272 HG3 PRO 40 2HG PRO 40 19.743 4.447 13.149
273 HD2 PRO 40 1HD PRO 40 19.008 5.473 10.754
274 HD3 PRO 40 2HD PRO 40 17.962 5.548 12.186
275 H SER 41 H SER 41 21.239 9.893 13.362
276 HA SER 41 HA SER 41 22.929 10.030 11.067
277 HB2 SER 41 1HB SER 41 23.840 12.034 12.081
278 HB3 SER 41 2HB SER 41 22.091 12.032 12.302
279 HG SER 41 HG SER 41 23.142 10.788 14.379
280 H GLY 42 H GLY 42 23.087 8.071 13.690
281 HA2 GLY 42 1HA GLY 42 24.755 6.872 14.725
282 HA3 GLY 42 2HA GLY 42 25.555 6.973 13.163
283 HA PRO 43 HA PRO 43 28.158 9.105 16.395
284 HB2 PRO 43 1HB PRO 43 30.435 7.737 15.835
285 HB3 PRO 43 2HB PRO 43 29.229 7.161 16.992
286 HG2 PRO 43 1HG PRO 43 29.649 6.363 14.137
287 HG3 PRO 43 2HG PRO 43 29.306 5.342 15.546
288 HD2 PRO 43 1HD PRO 43 27.396 6.056 13.764
289 HD3 PRO 43 2HD PRO 43 27.048 5.801 15.486
290 H SER 44 H SER 44 29.211 8.008 13.167
291 HA SER 44 HA SER 44 29.746 10.739 12.376
292 HB2 SER 44 1HB SER 44 32.108 10.189 11.687
293 HB3 SER 44 2HB SER 44 31.854 10.276 13.430
294 HG SER 44 HG SER 44 31.519 7.891 13.220
295 H SER 45 H SER 45 30.785 10.676 10.064
296 HA SER 45 HA SER 45 30.415 10.213 7.866
297 HB2 SER 45 1HB SER 45 31.794 8.252 8.393
298 HB3 SER 45 2HB SER 45 30.355 7.364 8.891
299 HG SER 45 HG SER 45 30.999 6.898 6.727
300 H GLY 46 H GLY 46 28.147 11.005 9.230
301 HA2 GLY 46 1HA GLY 46 25.863 9.632 9.328
302 HA3 GLY 46 2HA GLY 46 25.918 11.226 8.591
Start of MODEL 12
1 H1 GLY 1 H GLY 1 6.396 -23.020 2.282
2 HA2 GLY 1 1HA GLY 1 4.704 -21.847 0.674
3 HA3 GLY 1 2HA GLY 1 3.551 -22.790 1.607
4 H SER 2 H SER 2 4.165 -19.817 1.294
5 HA SER 2 HA SER 2 4.095 -19.226 4.170
6 HB2 SER 2 1HB SER 2 5.762 -17.806 2.086
7 HB3 SER 2 2HB SER 2 5.433 -17.141 3.685
8 HG SER 2 HG SER 2 7.146 -18.246 4.214
9 H SER 3 H SER 3 1.908 -18.855 4.184
10 HA SER 3 HA SER 3 1.047 -16.384 2.882
11 HB2 SER 3 1HB SER 3 -0.375 -19.040 2.618
12 HB3 SER 3 2HB SER 3 -1.124 -17.490 2.235
13 HG SER 3 HG SER 3 1.340 -18.203 1.078
14 H GLY 4 H GLY 4 -0.816 -15.411 3.859
15 HA2 GLY 4 1HA GLY 4 -1.560 -16.533 6.479
16 HA3 GLY 4 2HA GLY 4 -1.002 -14.870 6.367
17 H SER 5 H SER 5 -3.674 -16.495 6.868
18 HA SER 5 HA SER 5 -5.373 -14.907 5.075
19 HB2 SER 5 1HB SER 5 -5.956 -17.207 4.945
20 HB3 SER 5 2HB SER 5 -5.896 -17.398 6.698
21 HG SER 5 HG SER 5 -7.672 -15.496 5.764
22 H SER 6 H SER 6 -5.191 -12.936 6.192
23 HA SER 6 HA SER 6 -6.168 -12.856 8.947
24 HB2 SER 6 1HB SER 6 -5.449 -10.461 8.860
25 HB3 SER 6 2HB SER 6 -4.140 -11.599 8.546
26 HG SER 6 HG SER 6 -4.010 -10.919 6.540
27 H GLY 7 H GLY 7 -6.839 -11.381 5.781
28 HA2 GLY 7 1HA GLY 7 -8.806 -10.598 4.885
29 HA3 GLY 7 2HA GLY 7 -9.648 -11.441 6.177
30 H SER 8 H SER 8 -10.264 -10.335 8.012
31 HA SER 8 HA SER 8 -11.108 -8.514 9.103
32 HB2 SER 8 1HB SER 8 -8.246 -7.691 8.600
33 HB3 SER 8 2HB SER 8 -9.345 -6.750 9.609
34 HG SER 8 HG SER 8 -9.652 -8.791 10.799
35 H GLY 9 H GLY 9 -11.760 -8.545 6.368
36 HA2 GLY 9 1HA GLY 9 -12.634 -7.188 4.736
37 HA3 GLY 9 2HA GLY 9 -12.735 -5.958 5.988
38 H GLU 10 H GLU 10 -10.870 -7.209 3.329
39 HA GLU 10 HA GLU 10 -8.518 -5.835 3.456
40 HB2 GLU 10 1HB GLU 10 -10.277 -6.376 1.065
41 HB3 GLU 10 2HB GLU 10 -8.659 -5.701 0.926
42 HG2 GLU 10 1HG GLU 10 -9.482 -8.424 1.854
43 HG3 GLU 10 2HG GLU 10 -8.379 -7.981 0.552
44 H LYS 11 H LYS 11 -8.623 -3.830 4.410
45 HA LYS 11 HA LYS 11 -10.407 -1.780 3.882
46 HB2 LYS 11 1HB LYS 11 -7.488 -1.587 4.647
47 HB3 LYS 11 2HB LYS 11 -8.632 -0.253 4.726
48 HG2 LYS 11 1HG LYS 11 -9.313 -2.761 6.162
49 HG3 LYS 11 2HG LYS 11 -8.055 -1.723 6.838
50 HD2 LYS 11 1HD LYS 11 -9.519 0.043 7.182
51 HD3 LYS 11 2HD LYS 11 -10.675 -0.552 5.988
52 HE2 LYS 11 1HE LYS 11 -11.697 -0.984 8.046
53 HE3 LYS 11 2HE LYS 11 -11.006 -2.535 7.571
54 HZ1 LYS 11 3HZ LYS 11 -10.604 -1.238 9.945
55 HZ2 LYS 11 1HZ LYS 11 -9.167 -0.971 9.091
56 HZ3 LYS 11 2HZ LYS 11 -9.711 -2.550 9.358
57 HA PRO 12 HA PRO 12 -9.469 -0.411 -0.197
58 HB2 PRO 12 1HB PRO 12 -10.444 2.117 -0.030
59 HB3 PRO 12 2HB PRO 12 -11.484 0.691 -0.127
60 HG2 PRO 12 1HG PRO 12 -10.676 2.288 2.273
61 HG3 PRO 12 2HG PRO 12 -12.268 1.632 1.850
62 HD2 PRO 12 1HD PRO 12 -10.629 0.435 3.642
63 HD3 PRO 12 2HD PRO 12 -11.737 -0.482 2.600
64 H PHE 13 H PHE 13 -8.689 1.866 2.430
65 HA PHE 13 HA PHE 13 -6.624 3.137 0.869
66 HB2 PHE 13 1HB PHE 13 -7.041 3.485 3.831
67 HB3 PHE 13 2HB PHE 13 -6.371 4.634 2.677
68 HD1 PHE 13 HD1 PHE 13 -7.839 5.861 1.152
69 HD2 PHE 13 HD2 PHE 13 -9.399 3.251 4.130
70 HE1 PHE 13 HE1 PHE 13 -10.059 6.886 0.882
71 HE2 PHE 13 HE2 PHE 13 -11.622 4.271 3.865
72 HZ PHE 13 HZ PHE 13 -11.954 6.091 2.239
73 H GLN 14 H GLN 14 -4.682 2.279 0.597
74 HA GLN 14 HA GLN 14 -3.395 0.928 2.858
75 HB2 GLN 14 1HB GLN 14 -3.620 -0.156 0.049
76 HB3 GLN 14 2HB GLN 14 -2.482 -0.772 1.240
77 HG2 GLN 14 1HG GLN 14 -4.426 -1.269 2.724
78 HG3 GLN 14 2HG GLN 14 -5.483 -0.835 1.381
79 HE21 GLN 14 1HE2 GLN 14 -2.501 -2.736 1.701
80 HE22 GLN 14 2HE2 GLN 14 -3.112 -4.144 0.907
81 H CYS 15 H CYS 15 -1.225 1.274 3.042
82 HA CYS 15 HA CYS 15 -0.102 3.532 1.838
83 HB2 CYS 15 1HB CYS 15 0.553 2.144 4.000
84 HB3 CYS 15 2HB CYS 15 1.684 1.381 2.887
85 H GLU 16 H GLU 16 2.284 3.217 0.852
86 HA GLU 16 HA GLU 16 1.962 1.417 -1.460
87 HB2 GLU 16 1HB GLU 16 1.941 4.065 -1.677
88 HB3 GLU 16 2HB GLU 16 3.685 3.843 -1.643
89 HG2 GLU 16 1HG GLU 16 2.838 3.932 -3.921
90 HG3 GLU 16 2HG GLU 16 3.559 2.364 -3.561
91 H GLU 17 H GLU 17 4.000 2.495 1.107
92 HA GLU 17 HA GLU 17 6.307 1.045 0.041
93 HB2 GLU 17 1HB GLU 17 6.501 3.372 1.055
94 HB3 GLU 17 2HB GLU 17 6.186 2.616 2.611
95 HG2 GLU 17 1HG GLU 17 8.581 2.984 2.167
96 HG3 GLU 17 2HG GLU 17 8.174 1.290 2.439
97 H CYS 18 H CYS 18 3.790 0.786 2.384
98 HA CYS 18 HA CYS 18 4.977 -1.732 3.346
99 HB2 CYS 18 1HB CYS 18 4.024 -1.327 5.553
100 HB3 CYS 18 2HB CYS 18 5.093 -0.002 5.102
101 H GLY 19 H GLY 19 2.338 -0.130 1.939
102 HA2 GLY 19 1HA GLY 19 0.262 -0.834 1.259
103 HA3 GLY 19 2HA GLY 19 0.929 -2.458 1.333
104 H LYS 20 H LYS 20 0.778 -0.432 4.162
105 HA LYS 20 HA LYS 20 -0.548 -2.343 5.716
106 HB2 LYS 20 1HB LYS 20 0.217 0.498 6.026
107 HB3 LYS 20 2HB LYS 20 -1.084 -0.062 7.069
108 HG2 LYS 20 1HG LYS 20 0.619 -2.051 7.489
109 HG3 LYS 20 2HG LYS 20 1.784 -0.803 7.042
110 HD2 LYS 20 1HD LYS 20 1.665 -0.413 9.288
111 HD3 LYS 20 2HD LYS 20 0.345 0.627 8.749
112 HE2 LYS 20 1HE LYS 20 -0.215 -2.224 9.431
113 HE3 LYS 20 2HE LYS 20 -0.001 -1.051 10.730
114 HZ1 LYS 20 3HZ LYS 20 -2.204 -1.389 8.907
115 HZ2 LYS 20 1HZ LYS 20 -1.699 0.218 9.064
116 HZ3 LYS 20 2HZ LYS 20 -2.164 -0.660 10.433
117 H ARG 21 H ARG 21 -2.602 -1.328 7.060
118 HA ARG 21 HA ARG 21 -4.633 -0.640 5.044
119 HB2 ARG 21 1HB ARG 21 -5.030 -2.574 7.332
120 HB3 ARG 21 2HB ARG 21 -6.211 -2.149 6.100
121 HG2 ARG 21 1HG ARG 21 -5.160 -3.390 4.470
122 HG3 ARG 21 2HG ARG 21 -3.597 -3.333 5.288
123 HD2 ARG 21 1HD ARG 21 -5.968 -4.790 6.426
124 HD3 ARG 21 2HD ARG 21 -4.831 -5.555 5.317
125 HE ARG 21 HE ARG 21 -3.226 -4.543 7.242
126 HH11 ARG 21 1HH1 ARG 21 -6.058 -6.566 7.311
127 HH12 ARG 21 2HH1 ARG 21 -5.584 -7.405 8.751
128 HH21 ARG 21 1HH2 ARG 21 -2.591 -5.639 9.139
129 HH22 ARG 21 2HH2 ARG 21 -3.612 -6.876 9.790
130 H PHE 22 H PHE 22 -6.426 0.563 5.799
131 HA PHE 22 HA PHE 22 -6.470 1.497 8.533
132 HB2 PHE 22 1HB PHE 22 -5.961 3.451 6.278
133 HB3 PHE 22 2HB PHE 22 -6.249 3.873 7.963
134 HD1 PHE 22 HD2 PHE 22 -3.878 2.284 5.635
135 HD2 PHE 22 HD1 PHE 22 -4.517 3.763 9.575
136 HE1 PHE 22 HE2 PHE 22 -1.464 2.128 6.082
137 HE2 PHE 22 HE1 PHE 22 -2.103 3.610 10.028
138 HZ PHE 22 HZ PHE 22 -0.573 2.790 8.280
139 H THR 23 H THR 23 -8.440 2.344 9.135
140 HA THR 23 HA THR 23 -10.612 1.877 7.257
141 HB THR 23 HB THR 23 -10.824 0.980 9.531
142 HG1 THR 23 HG1 THR 23 -12.627 3.019 8.726
143 HG21 THR 23 3HG2 THR 23 -10.081 3.710 10.242
144 HG22 THR 23 1HG2 THR 23 -9.969 2.226 11.188
145 HG23 THR 23 2HG2 THR 23 -11.487 3.122 11.130
146 H GLN 24 H GLN 24 -8.666 4.423 7.939
147 HA GLN 24 HA GLN 24 -10.711 6.334 7.069
148 HB2 GLN 24 1HB GLN 24 -10.466 6.606 9.497
149 HB3 GLN 24 2HB GLN 24 -8.734 6.833 9.301
150 HG2 GLN 24 1HG GLN 24 -9.588 8.984 9.556
151 HG3 GLN 24 2HG GLN 24 -9.325 8.815 7.822
152 HE21 GLN 24 1HE2 GLN 24 -11.567 9.458 10.283
153 HE22 GLN 24 2HE2 GLN 24 -12.979 9.578 9.297
154 H ASN 25 H ASN 25 -10.068 7.528 5.396
155 HA ASN 25 HA ASN 25 -7.692 7.112 4.037
156 HB2 ASN 25 1HB ASN 25 -8.237 9.253 2.835
157 HB3 ASN 25 2HB ASN 25 -9.561 8.092 2.895
158 HD21 ASN 25 1HD2 ASN 25 -8.846 11.250 3.165
159 HD22 ASN 25 2HD2 ASN 25 -10.146 11.772 4.177
160 H SER 26 H SER 26 -8.543 9.900 6.090
161 HA SER 26 HA SER 26 -6.163 11.290 5.930
162 HB2 SER 26 1HB SER 26 -8.194 11.039 8.140
163 HB3 SER 26 2HB SER 26 -6.772 12.067 8.317
164 HG SER 26 HG SER 26 -7.572 13.442 6.912
165 H HIS 27 H HIS 27 -7.043 8.710 8.205
166 HA HIS 27 HA HIS 27 -4.844 8.676 9.840
167 HB2 HIS 27 1HB HIS 27 -6.700 6.569 8.845
168 HB3 HIS 27 2HB HIS 27 -5.241 6.044 9.680
169 HD1 HIS 27 HD1 HIS 27 -6.724 5.143 11.629
170 HD2 HIS 27 HD2 HIS 27 -6.953 9.248 11.031
171 HE1 HIS 27 HE1 HIS 27 -7.835 6.062 13.690
172 H LEU 28 H LEU 28 -5.163 7.160 6.649
173 HA LEU 28 HA LEU 28 -2.599 5.973 6.620
174 HB2 LEU 28 1HB LEU 28 -4.165 5.118 5.101
175 HB3 LEU 28 2HB LEU 28 -4.566 6.719 4.483
176 HG LEU 28 HG LEU 28 -2.235 6.783 3.501
177 HD11 LEU 28 1HD1 LEU 28 -0.814 5.176 4.058
178 HD12 LEU 28 2HD1 LEU 28 -1.831 4.023 3.194
179 HD13 LEU 28 3HD1 LEU 28 -2.079 4.298 4.918
180 HD21 LEU 28 3HD2 LEU 28 -2.863 5.307 1.600
181 HD22 LEU 28 1HD2 LEU 28 -4.139 6.422 2.089
182 HD23 LEU 28 2HD2 LEU 28 -4.225 4.724 2.558
183 H HIS 29 H HIS 29 -3.799 8.936 5.040
184 HA HIS 29 HA HIS 29 -1.523 9.848 3.852
185 HB2 HIS 29 1HB HIS 29 -3.804 11.262 5.175
186 HB3 HIS 29 2HB HIS 29 -2.434 12.203 4.595
187 HD1 HIS 29 HD1 HIS 29 -5.290 12.442 3.372
188 HD2 HIS 29 HD2 HIS 29 -2.231 10.083 1.843
189 HE1 HIS 29 HE1 HIS 29 -5.840 12.123 0.939
190 H SER 30 H SER 30 -2.436 10.312 7.252
191 HA SER 30 HA SER 30 -0.088 11.776 7.925
192 HB2 SER 30 1HB SER 30 -2.078 10.306 9.669
193 HB3 SER 30 2HB SER 30 -0.805 11.363 10.279
194 HG SER 30 HG SER 30 -1.922 12.866 8.588
195 H HIS 31 H HIS 31 -1.051 8.386 8.251
196 HA HIS 31 HA HIS 31 1.027 7.390 9.751
197 HB2 HIS 31 1HB HIS 31 -0.509 5.751 9.310
198 HB3 HIS 31 2HB HIS 31 -0.738 6.264 7.641
199 HD1 HIS 31 HD1 HIS 31 1.440 4.107 9.792
200 HD2 HIS 31 HD2 HIS 31 0.932 5.037 5.775
201 HE1 HIS 31 HE1 HIS 31 2.808 2.414 8.532
202 H GLN 32 H GLN 32 0.965 8.010 6.264
203 HA GLN 32 HA GLN 32 3.303 6.902 5.424
204 HB2 GLN 32 1HB GLN 32 2.211 9.620 4.679
205 HB3 GLN 32 2HB GLN 32 3.463 8.768 3.784
206 HG2 GLN 32 1HG GLN 32 1.937 7.002 3.224
207 HG3 GLN 32 2HG GLN 32 0.687 7.707 4.247
208 HE21 GLN 32 1HE2 GLN 32 -0.599 7.613 2.288
209 HE22 GLN 32 2HE2 GLN 32 -0.477 8.895 1.137
210 H ARG 33 H ARG 33 2.916 9.828 7.329
211 HA ARG 33 HA ARG 33 5.360 11.022 7.163
212 HB2 ARG 33 1HB ARG 33 3.541 10.610 9.524
213 HB3 ARG 33 2HB ARG 33 5.037 11.524 9.672
214 HG2 ARG 33 1HG ARG 33 4.034 12.791 7.573
215 HG3 ARG 33 2HG ARG 33 2.520 12.212 8.269
216 HD2 ARG 33 1HD ARG 33 2.904 13.352 10.300
217 HD3 ARG 33 2HD ARG 33 4.595 13.651 9.899
218 HE ARG 33 HE ARG 33 3.340 14.976 7.948
219 HH11 ARG 33 1HH1 ARG 33 2.821 14.917 11.390
220 HH12 ARG 33 2HH1 ARG 33 2.229 16.543 11.460
221 HH21 ARG 33 1HH2 ARG 33 2.562 17.119 8.027
222 HH22 ARG 33 2HH2 ARG 33 2.082 17.795 9.547
223 H VAL 34 H VAL 34 4.532 8.152 9.057
224 HA VAL 34 HA VAL 34 6.816 7.794 10.538
225 HB VAL 34 HB VAL 34 6.351 5.427 10.571
226 HG11 VAL 34 1HG1 VAL 34 3.966 5.461 11.188
227 HG12 VAL 34 2HG1 VAL 34 4.852 6.833 11.856
228 HG13 VAL 34 3HG1 VAL 34 3.814 7.054 10.448
229 HG21 VAL 34 3HG2 VAL 34 4.999 6.026 7.999
230 HG22 VAL 34 1HG2 VAL 34 5.967 4.630 8.474
231 HG23 VAL 34 2HG2 VAL 34 4.295 4.769 9.016
232 H HIS 35 H HIS 35 6.307 7.111 7.123
233 HA HIS 35 HA HIS 35 8.782 5.753 6.729
234 HB2 HIS 35 1HB HIS 35 6.912 7.102 4.772
235 HB3 HIS 35 2HB HIS 35 8.308 6.135 4.303
236 HD1 HIS 35 HD1 HIS 35 8.032 3.704 6.066
237 HD2 HIS 35 HD2 HIS 35 4.795 5.519 4.198
238 HE1 HIS 35 HE1 HIS 35 6.258 1.927 5.917
239 H THR 36 H THR 36 7.808 9.082 6.782
240 HA THR 36 HA THR 36 8.905 11.037 6.276
241 HB THR 36 HB THR 36 11.402 10.850 7.203
242 HG1 THR 36 HG1 THR 36 11.370 8.595 7.468
243 HG21 THR 36 3HG2 THR 36 9.502 12.151 8.156
244 HG22 THR 36 1HG2 THR 36 10.563 11.452 9.378
245 HG23 THR 36 2HG2 THR 36 9.005 10.703 9.031
246 H GLY 37 H GLY 37 8.930 9.152 4.098
247 HA2 GLY 37 1HA GLY 37 11.524 9.843 2.861
248 HA3 GLY 37 2HA GLY 37 10.654 8.359 2.506
249 H GLU 38 H GLU 38 9.585 11.748 2.722
250 HA GLU 38 HA GLU 38 8.540 11.473 -0.020
251 HB2 GLU 38 1HB GLU 38 7.421 12.729 2.435
252 HB3 GLU 38 2HB GLU 38 7.078 13.506 0.896
253 HG2 GLU 38 1HG GLU 38 6.075 11.480 0.051
254 HG3 GLU 38 2HG GLU 38 6.503 10.621 1.530
255 H LYS 39 H LYS 39 9.556 12.652 -1.486
256 HA LYS 39 HA LYS 39 11.305 14.818 -0.666
257 HB2 LYS 39 1HB LYS 39 11.995 14.839 -3.042
258 HB3 LYS 39 2HB LYS 39 12.151 13.249 -2.307
259 HG2 LYS 39 1HG LYS 39 10.053 12.560 -3.359
260 HG3 LYS 39 2HG LYS 39 9.911 14.152 -4.108
261 HD2 LYS 39 1HD LYS 39 11.855 13.792 -5.431
262 HD3 LYS 39 2HD LYS 39 12.279 12.337 -4.527
263 HE2 LYS 39 1HE LYS 39 11.342 11.486 -6.472
264 HE3 LYS 39 2HE LYS 39 9.994 11.447 -5.336
265 HZ1 LYS 39 3HZ LYS 39 9.877 12.533 -7.779
266 HZ2 LYS 39 1HZ LYS 39 10.244 13.899 -6.850
267 HZ3 LYS 39 2HZ LYS 39 8.869 12.980 -6.496
268 HA PRO 40 HA PRO 40 8.477 18.077 -1.544
269 HB2 PRO 40 1HB PRO 40 10.255 20.077 -2.001
270 HB3 PRO 40 2HB PRO 40 9.921 19.439 -0.387
271 HG2 PRO 40 1HG PRO 40 12.193 18.820 -2.235
272 HG3 PRO 40 2HG PRO 40 12.220 19.108 -0.486
273 HD2 PRO 40 1HD PRO 40 12.308 16.622 -1.555
274 HD3 PRO 40 2HD PRO 40 11.532 16.964 0.005
275 H SER 41 H SER 41 11.079 17.336 -3.789
276 HA SER 41 HA SER 41 9.388 17.543 -6.052
277 HB2 SER 41 1HB SER 41 10.345 19.470 -7.158
278 HB3 SER 41 2HB SER 41 9.750 19.972 -5.576
279 HG SER 41 HG SER 41 11.698 20.598 -5.149
280 H GLY 42 H GLY 42 10.178 16.257 -7.601
281 HA2 GLY 42 1HA GLY 42 12.902 15.242 -7.266
282 HA3 GLY 42 2HA GLY 42 11.636 14.510 -8.240
283 HA PRO 43 HA PRO 43 14.685 16.846 -10.942
284 HB2 PRO 43 1HB PRO 43 15.451 14.710 -12.433
285 HB3 PRO 43 2HB PRO 43 16.258 15.171 -10.929
286 HG2 PRO 43 1HG PRO 43 14.196 13.052 -11.399
287 HG3 PRO 43 2HG PRO 43 15.672 12.980 -10.419
288 HD2 PRO 43 1HD PRO 43 13.221 13.371 -9.336
289 HD3 PRO 43 2HD PRO 43 14.696 14.075 -8.641
290 H SER 44 H SER 44 14.586 17.033 -13.325
291 HA SER 44 HA SER 44 12.035 17.411 -14.282
292 HB2 SER 44 1HB SER 44 14.685 17.048 -15.639
293 HB3 SER 44 2HB SER 44 13.219 17.172 -16.612
294 HG SER 44 HG SER 44 12.980 19.110 -14.952
295 H SER 45 H SER 45 14.177 14.661 -15.023
296 HA SER 45 HA SER 45 11.987 13.224 -16.267
297 HB2 SER 45 1HB SER 45 13.667 11.515 -16.774
298 HB3 SER 45 2HB SER 45 14.252 13.112 -17.242
299 HG SER 45 HG SER 45 15.587 13.137 -15.487
300 H GLY 46 H GLY 46 11.563 10.939 -15.643
301 HA2 GLY 46 1HA GLY 46 11.768 10.598 -12.714
302 HA3 GLY 46 2HA GLY 46 10.303 10.218 -13.607
Start of MODEL 13
1 H1 GLY 1 H GLY 1 15.173 -9.696 -6.025
2 HA2 GLY 1 1HA GLY 1 12.939 -9.122 -6.043
3 HA3 GLY 1 2HA GLY 1 13.268 -8.736 -7.726
4 H SER 2 H SER 2 12.418 -11.444 -5.592
5 HA SER 2 HA SER 2 11.066 -12.725 -7.868
6 HB2 SER 2 1HB SER 2 11.133 -14.791 -6.514
7 HB3 SER 2 2HB SER 2 12.746 -14.126 -6.768
8 HG SER 2 HG SER 2 12.760 -14.452 -4.651
9 H SER 3 H SER 3 9.803 -10.539 -6.716
10 HA SER 3 HA SER 3 7.672 -11.735 -5.078
11 HB2 SER 3 1HB SER 3 7.133 -9.492 -4.339
12 HB3 SER 3 2HB SER 3 8.864 -9.756 -4.129
13 HG SER 3 HG SER 3 7.634 -7.866 -5.550
14 H GLY 4 H GLY 4 5.454 -10.934 -5.497
15 HA2 GLY 4 1HA GLY 4 4.339 -9.567 -7.459
16 HA3 GLY 4 2HA GLY 4 4.969 -10.924 -8.380
17 H SER 5 H SER 5 2.261 -9.763 -6.997
18 HA SER 5 HA SER 5 0.924 -12.300 -7.145
19 HB2 SER 5 1HB SER 5 0.150 -12.439 -4.877
20 HB3 SER 5 2HB SER 5 1.905 -12.282 -4.821
21 HG SER 5 HG SER 5 1.060 -10.859 -3.342
22 H SER 6 H SER 6 -1.454 -12.037 -6.604
23 HA SER 6 HA SER 6 -2.442 -9.309 -6.858
24 HB2 SER 6 1HB SER 6 -2.036 -10.432 -9.182
25 HB3 SER 6 2HB SER 6 -3.496 -11.344 -8.798
26 HG SER 6 HG SER 6 -3.485 -9.059 -9.901
27 H GLY 7 H GLY 7 -4.689 -9.090 -6.374
28 HA2 GLY 7 1HA GLY 7 -6.542 -11.038 -5.858
29 HA3 GLY 7 2HA GLY 7 -5.578 -10.963 -4.391
30 H SER 8 H SER 8 -7.391 -10.256 -3.203
31 HA SER 8 HA SER 8 -8.284 -7.519 -3.821
32 HB2 SER 8 1HB SER 8 -9.656 -9.674 -2.196
33 HB3 SER 8 2HB SER 8 -10.273 -8.039 -2.431
34 HG SER 8 HG SER 8 -9.887 -10.053 -4.385
35 H GLY 9 H GLY 9 -8.806 -6.164 -1.900
36 HA2 GLY 9 1HA GLY 9 -6.840 -6.665 0.248
37 HA3 GLY 9 2HA GLY 9 -7.236 -5.064 -0.359
38 H GLU 10 H GLU 10 -7.350 -5.952 2.372
39 HA GLU 10 HA GLU 10 -10.069 -6.447 3.095
40 HB2 GLU 10 1HB GLU 10 -7.647 -5.604 4.683
41 HB3 GLU 10 2HB GLU 10 -9.225 -5.851 5.417
42 HG2 GLU 10 1HG GLU 10 -8.063 -7.848 5.766
43 HG3 GLU 10 2HG GLU 10 -9.163 -8.182 4.430
44 H LYS 11 H LYS 11 -7.997 -3.585 2.998
45 HA LYS 11 HA LYS 11 -10.406 -1.928 3.367
46 HB2 LYS 11 1HB LYS 11 -7.614 -1.515 4.424
47 HB3 LYS 11 2HB LYS 11 -8.772 -0.197 4.304
48 HG2 LYS 11 1HG LYS 11 -9.393 -2.728 5.790
49 HG3 LYS 11 2HG LYS 11 -8.560 -1.369 6.548
50 HD2 LYS 11 1HD LYS 11 -10.417 0.070 6.215
51 HD3 LYS 11 2HD LYS 11 -11.201 -1.082 5.131
52 HE2 LYS 11 1HE LYS 11 -12.280 -1.120 7.297
53 HE3 LYS 11 2HE LYS 11 -11.449 -2.649 7.013
54 HZ1 LYS 11 3HZ LYS 11 -10.314 -2.344 8.871
55 HZ2 LYS 11 1HZ LYS 11 -11.133 -0.891 9.157
56 HZ3 LYS 11 2HZ LYS 11 -9.680 -0.887 8.290
57 HA PRO 12 HA PRO 12 -9.494 -0.017 -0.481
58 HB2 PRO 12 1HB PRO 12 -10.472 2.479 -0.053
59 HB3 PRO 12 2HB PRO 12 -11.510 1.066 -0.277
60 HG2 PRO 12 1HG PRO 12 -10.675 2.421 2.259
61 HG3 PRO 12 2HG PRO 12 -12.271 1.805 1.793
62 HD2 PRO 12 1HD PRO 12 -10.607 0.442 3.437
63 HD3 PRO 12 2HD PRO 12 -11.726 -0.371 2.324
64 H PHE 13 H PHE 13 -8.609 1.872 2.396
65 HA PHE 13 HA PHE 13 -6.524 3.252 0.901
66 HB2 PHE 13 1HB PHE 13 -7.100 3.562 3.842
67 HB3 PHE 13 2HB PHE 13 -6.329 4.712 2.754
68 HD1 PHE 13 HD1 PHE 13 -7.909 5.338 0.658
69 HD2 PHE 13 HD2 PHE 13 -9.233 4.056 4.495
70 HE1 PHE 13 HE1 PHE 13 -10.080 6.428 0.269
71 HE2 PHE 13 HE2 PHE 13 -11.407 5.143 4.112
72 HZ PHE 13 HZ PHE 13 -11.833 6.330 1.997
73 H GLN 14 H GLN 14 -4.485 2.588 0.852
74 HA GLN 14 HA GLN 14 -3.353 1.147 3.113
75 HB2 GLN 14 1HB GLN 14 -3.268 0.011 0.313
76 HB3 GLN 14 2HB GLN 14 -2.508 -0.680 1.740
77 HG2 GLN 14 1HG GLN 14 -4.822 -0.857 2.732
78 HG3 GLN 14 2HG GLN 14 -5.437 -0.464 1.127
79 HE21 GLN 14 1HE2 GLN 14 -2.853 -2.556 2.373
80 HE22 GLN 14 2HE2 GLN 14 -3.365 -3.976 1.533
81 H CYS 15 H CYS 15 -1.112 1.283 3.257
82 HA CYS 15 HA CYS 15 0.077 3.572 2.141
83 HB2 CYS 15 1HB CYS 15 0.671 2.113 4.273
84 HB3 CYS 15 2HB CYS 15 1.784 1.339 3.149
85 H GLU 16 H GLU 16 2.421 3.260 1.125
86 HA GLU 16 HA GLU 16 2.089 1.478 -1.200
87 HB2 GLU 16 1HB GLU 16 2.055 4.123 -1.404
88 HB3 GLU 16 2HB GLU 16 3.800 3.915 -1.368
89 HG2 GLU 16 1HG GLU 16 3.750 2.543 -3.318
90 HG3 GLU 16 2HG GLU 16 1.988 2.486 -3.294
91 H GLU 17 H GLU 17 4.172 2.598 1.331
92 HA GLU 17 HA GLU 17 6.465 1.145 0.249
93 HB2 GLU 17 1HB GLU 17 6.193 2.902 2.694
94 HB3 GLU 17 2HB GLU 17 7.683 2.119 2.189
95 HG2 GLU 17 1HG GLU 17 7.911 3.473 0.317
96 HG3 GLU 17 2HG GLU 17 6.213 3.946 0.334
97 H CYS 18 H CYS 18 3.955 0.834 2.586
98 HA CYS 18 HA CYS 18 5.120 -1.718 3.464
99 HB2 CYS 18 1HB CYS 18 4.402 -1.338 5.739
100 HB3 CYS 18 2HB CYS 18 5.410 0.014 5.233
101 H GLY 19 H GLY 19 2.660 -0.230 1.907
102 HA2 GLY 19 1HA GLY 19 0.403 -0.689 1.586
103 HA3 GLY 19 2HA GLY 19 1.059 -2.305 1.370
104 H LYS 20 H LYS 20 -0.033 -0.077 3.917
105 HA LYS 20 HA LYS 20 -0.755 -2.368 5.585
106 HB2 LYS 20 1HB LYS 20 -0.183 0.496 6.068
107 HB3 LYS 20 2HB LYS 20 -1.414 -0.226 7.094
108 HG2 LYS 20 1HG LYS 20 0.422 -2.105 7.369
109 HG3 LYS 20 2HG LYS 20 1.499 -0.771 6.948
110 HD2 LYS 20 1HD LYS 20 1.406 -0.628 9.259
111 HD3 LYS 20 2HD LYS 20 0.177 0.536 8.758
112 HE2 LYS 20 1HE LYS 20 -1.580 -1.002 9.224
113 HE3 LYS 20 2HE LYS 20 -0.441 -2.328 9.451
114 HZ1 LYS 20 3HZ LYS 20 -0.289 -1.806 11.582
115 HZ2 LYS 20 1HZ LYS 20 -1.429 -0.574 11.374
116 HZ3 LYS 20 2HZ LYS 20 0.220 -0.237 11.208
117 H ARG 21 H ARG 21 -2.849 -1.590 7.015
118 HA ARG 21 HA ARG 21 -4.954 -0.901 5.076
119 HB2 ARG 21 1HB ARG 21 -4.993 -3.115 7.131
120 HB3 ARG 21 2HB ARG 21 -6.421 -2.554 6.272
121 HG2 ARG 21 1HG ARG 21 -5.797 -3.523 4.312
122 HG3 ARG 21 2HG ARG 21 -4.073 -3.364 4.654
123 HD2 ARG 21 1HD ARG 21 -5.935 -5.297 6.029
124 HD3 ARG 21 2HD ARG 21 -4.871 -5.709 4.684
125 HE ARG 21 HE ARG 21 -3.507 -4.530 6.924
126 HH11 ARG 21 1HH1 ARG 21 -4.703 -7.487 5.528
127 HH12 ARG 21 2HH1 ARG 21 -3.594 -8.498 6.395
128 HH21 ARG 21 1HH2 ARG 21 -2.042 -5.850 8.070
129 HH22 ARG 21 2HH2 ARG 21 -2.081 -7.566 7.841
130 H PHE 22 H PHE 22 -6.116 0.788 5.699
131 HA PHE 22 HA PHE 22 -6.433 1.303 8.579
132 HB2 PHE 22 1HB PHE 22 -6.032 3.428 6.464
133 HB3 PHE 22 2HB PHE 22 -6.193 3.687 8.198
134 HD1 PHE 22 HD2 PHE 22 -4.006 2.308 5.570
135 HD2 PHE 22 HD1 PHE 22 -4.341 3.475 9.649
136 HE1 PHE 22 HE2 PHE 22 -1.565 2.129 5.818
137 HE2 PHE 22 HE1 PHE 22 -1.900 3.299 9.904
138 HZ PHE 22 HZ PHE 22 -0.509 2.624 7.987
139 H THR 23 H THR 23 -8.360 2.394 9.193
140 HA THR 23 HA THR 23 -10.643 1.603 7.684
141 HB THR 23 HB THR 23 -10.747 1.662 10.115
142 HG1 THR 23 HG1 THR 23 -12.766 2.552 10.215
143 HG21 THR 23 3HG2 THR 23 -10.676 4.667 9.992
144 HG22 THR 23 1HG2 THR 23 -9.224 3.707 10.274
145 HG23 THR 23 2HG2 THR 23 -10.571 3.623 11.409
146 H GLN 24 H GLN 24 -9.293 4.791 8.528
147 HA GLN 24 HA GLN 24 -10.887 5.947 6.339
148 HB2 GLN 24 1HB GLN 24 -9.854 7.157 8.899
149 HB3 GLN 24 2HB GLN 24 -10.444 8.138 7.565
150 HG2 GLN 24 1HG GLN 24 -12.617 7.000 7.717
151 HG3 GLN 24 2HG GLN 24 -12.018 6.081 9.096
152 HE21 GLN 24 1HE2 GLN 24 -11.691 7.125 11.061
153 HE22 GLN 24 2HE2 GLN 24 -12.380 8.671 11.405
154 H ASN 25 H ASN 25 -9.896 7.655 5.083
155 HA ASN 25 HA ASN 25 -7.282 6.976 4.222
156 HB2 ASN 25 1HB ASN 25 -7.497 8.940 2.734
157 HB3 ASN 25 2HB ASN 25 -8.919 7.902 2.672
158 HD21 ASN 25 1HD2 ASN 25 -8.113 10.957 2.502
159 HD22 ASN 25 2HD2 ASN 25 -9.448 11.712 3.299
160 H SER 26 H SER 26 -8.575 9.714 6.072
161 HA SER 26 HA SER 26 -6.384 11.325 6.297
162 HB2 SER 26 1HB SER 26 -8.770 11.477 7.388
163 HB3 SER 26 2HB SER 26 -7.966 10.744 8.777
164 HG SER 26 HG SER 26 -6.500 12.776 7.761
165 H HIS 27 H HIS 27 -7.106 8.479 8.299
166 HA HIS 27 HA HIS 27 -4.930 8.604 10.018
167 HB2 HIS 27 1HB HIS 27 -6.703 6.429 9.031
168 HB3 HIS 27 2HB HIS 27 -5.212 5.950 9.836
169 HD1 HIS 27 HD1 HIS 27 -7.945 5.330 11.098
170 HD2 HIS 27 HD2 HIS 27 -5.693 8.715 11.957
171 HE1 HIS 27 HE1 HIS 27 -8.718 6.095 13.366
172 H LEU 28 H LEU 28 -5.138 7.396 6.728
173 HA LEU 28 HA LEU 28 -2.534 6.210 6.721
174 HB2 LEU 28 1HB LEU 28 -3.883 5.256 5.133
175 HB3 LEU 28 2HB LEU 28 -4.633 6.790 4.695
176 HG LEU 28 HG LEU 28 -2.571 7.418 3.489
177 HD11 LEU 28 1HD1 LEU 28 -1.632 4.593 3.719
178 HD12 LEU 28 2HD1 LEU 28 -1.191 5.772 4.954
179 HD13 LEU 28 3HD1 LEU 28 -0.734 6.044 3.273
180 HD21 LEU 28 3HD2 LEU 28 -2.862 5.152 1.939
181 HD22 LEU 28 1HD2 LEU 28 -3.823 6.627 1.824
182 HD23 LEU 28 2HD2 LEU 28 -4.400 5.272 2.795
183 H HIS 29 H HIS 29 -3.841 9.073 5.037
184 HA HIS 29 HA HIS 29 -1.673 10.154 3.898
185 HB2 HIS 29 1HB HIS 29 -3.975 11.386 5.329
186 HB3 HIS 29 2HB HIS 29 -2.636 12.440 4.884
187 HD1 HIS 29 HD1 HIS 29 -4.243 13.653 3.208
188 HD2 HIS 29 HD2 HIS 29 -3.516 9.654 2.346
189 HE1 HIS 29 HE1 HIS 29 -5.038 13.319 0.846
190 H SER 30 H SER 30 -2.409 10.376 7.359
191 HA SER 30 HA SER 30 -0.038 11.872 7.959
192 HB2 SER 30 1HB SER 30 -2.069 12.055 9.347
193 HB3 SER 30 2HB SER 30 -1.898 10.363 9.814
194 HG SER 30 HG SER 30 0.295 12.036 10.214
195 H HIS 31 H HIS 31 -1.015 8.487 8.187
196 HA HIS 31 HA HIS 31 1.165 7.483 9.599
197 HB2 HIS 31 1HB HIS 31 -0.538 5.936 9.332
198 HB3 HIS 31 2HB HIS 31 -0.756 6.314 7.626
199 HD1 HIS 31 HD1 HIS 31 1.075 4.077 9.928
200 HD2 HIS 31 HD2 HIS 31 1.121 5.046 5.888
201 HE1 HIS 31 HE1 HIS 31 2.432 2.273 8.819
202 H GLN 32 H GLN 32 0.815 8.244 6.184
203 HA GLN 32 HA GLN 32 2.978 6.985 5.071
204 HB2 GLN 32 1HB GLN 32 1.575 9.548 4.513
205 HB3 GLN 32 2HB GLN 32 3.117 9.279 3.712
206 HG2 GLN 32 1HG GLN 32 2.276 7.209 2.753
207 HG3 GLN 32 2HG GLN 32 0.737 7.442 3.581
208 HE21 GLN 32 1HE2 GLN 32 -0.783 8.120 2.270
209 HE22 GLN 32 2HE2 GLN 32 -0.583 9.209 0.943
210 H ARG 33 H ARG 33 2.984 9.534 7.383
211 HA ARG 33 HA ARG 33 5.506 10.666 6.891
212 HB2 ARG 33 1HB ARG 33 3.740 10.471 9.306
213 HB3 ARG 33 2HB ARG 33 5.364 11.129 9.459
214 HG2 ARG 33 1HG ARG 33 4.567 12.601 7.410
215 HG3 ARG 33 2HG ARG 33 2.981 12.247 8.097
216 HD2 ARG 33 1HD ARG 33 3.835 14.322 9.007
217 HD3 ARG 33 2HD ARG 33 3.756 13.095 10.271
218 HE ARG 33 HE ARG 33 6.016 13.274 10.508
219 HH11 ARG 33 1HH1 ARG 33 5.122 14.531 7.387
220 HH12 ARG 33 2HH1 ARG 33 6.719 15.090 7.010
221 HH21 ARG 33 1HH2 ARG 33 8.121 14.004 10.024
222 HH22 ARG 33 2HH2 ARG 33 8.424 14.789 8.510
223 H VAL 34 H VAL 34 4.521 7.842 8.758
224 HA VAL 34 HA VAL 34 6.729 7.227 10.216
225 HB VAL 34 HB VAL 34 6.201 4.854 9.928
226 HG11 VAL 34 1HG1 VAL 34 4.840 6.168 11.452
227 HG12 VAL 34 2HG1 VAL 34 3.755 6.608 10.132
228 HG13 VAL 34 3HG1 VAL 34 3.861 4.930 10.666
229 HG21 VAL 34 3HG2 VAL 34 3.903 4.997 8.265
230 HG22 VAL 34 1HG2 VAL 34 5.257 5.720 7.396
231 HG23 VAL 34 2HG2 VAL 34 5.385 4.074 8.015
232 H HIS 35 H HIS 35 6.504 7.340 6.782
233 HA HIS 35 HA HIS 35 9.184 6.137 6.549
234 HB2 HIS 35 1HB HIS 35 7.269 6.464 4.251
235 HB3 HIS 35 2HB HIS 35 8.660 5.391 4.376
236 HD1 HIS 35 HD1 HIS 35 8.328 3.423 6.274
237 HD2 HIS 35 HD2 HIS 35 4.909 5.245 4.774
238 HE1 HIS 35 HE1 HIS 35 6.438 1.855 6.814
239 H THR 36 H THR 36 7.260 8.947 6.063
240 HA THR 36 HA THR 36 8.408 10.392 4.096
241 HB THR 36 HB THR 36 7.482 11.229 6.820
242 HG1 THR 36 HG1 THR 36 6.567 12.139 4.302
243 HG21 THR 36 3HG2 THR 36 7.703 13.614 5.599
244 HG22 THR 36 1HG2 THR 36 9.131 12.813 4.945
245 HG23 THR 36 2HG2 THR 36 8.930 12.971 6.690
246 H GLY 37 H GLY 37 10.563 9.946 3.688
247 HA2 GLY 37 1HA GLY 37 12.690 11.124 3.900
248 HA3 GLY 37 2HA GLY 37 12.451 11.103 5.641
249 H GLU 38 H GLU 38 12.455 8.698 3.003
250 HA GLU 38 HA GLU 38 13.870 6.844 4.761
251 HB2 GLU 38 1HB GLU 38 13.406 5.173 2.994
252 HB3 GLU 38 2HB GLU 38 11.947 5.940 3.607
253 HG2 GLU 38 1HG GLU 38 11.764 7.310 1.663
254 HG3 GLU 38 2HG GLU 38 13.342 6.782 1.080
255 H LYS 39 H LYS 39 15.930 6.188 4.456
256 HA LYS 39 HA LYS 39 17.361 7.254 2.111
257 HB2 LYS 39 1HB LYS 39 17.795 8.247 4.518
258 HB3 LYS 39 2HB LYS 39 18.781 6.802 4.703
259 HG2 LYS 39 1HG LYS 39 19.146 8.574 2.326
260 HG3 LYS 39 2HG LYS 39 19.870 8.998 3.879
261 HD2 LYS 39 1HD LYS 39 20.250 6.298 2.608
262 HD3 LYS 39 2HD LYS 39 21.312 7.664 2.257
263 HE2 LYS 39 1HE LYS 39 20.759 6.824 5.080
264 HE3 LYS 39 2HE LYS 39 21.985 6.003 4.116
265 HZ1 LYS 39 3HZ LYS 39 23.070 8.149 3.769
266 HZ2 LYS 39 1HZ LYS 39 22.968 7.767 5.414
267 HZ3 LYS 39 2HZ LYS 39 21.912 8.905 4.743
268 HA PRO 40 HA PRO 40 18.437 3.045 1.329
269 HB2 PRO 40 1HB PRO 40 20.467 3.494 -0.417
270 HB3 PRO 40 2HB PRO 40 18.766 3.701 -0.848
271 HG2 PRO 40 1HG PRO 40 20.784 5.766 -0.060
272 HG3 PRO 40 2HG PRO 40 19.572 5.823 -1.353
273 HD2 PRO 40 1HD PRO 40 19.218 7.057 1.031
274 HD3 PRO 40 2HD PRO 40 17.869 6.381 0.096
275 H SER 41 H SER 41 19.605 1.691 2.529
276 HA SER 41 HA SER 41 21.951 2.680 3.941
277 HB2 SER 41 1HB SER 41 20.138 0.319 4.232
278 HB3 SER 41 2HB SER 41 21.763 0.228 4.910
279 HG SER 41 HG SER 41 20.572 1.091 6.511
280 H GLY 42 H GLY 42 23.831 1.122 4.165
281 HA2 GLY 42 1HA GLY 42 24.514 0.131 1.476
282 HA3 GLY 42 2HA GLY 42 25.675 0.672 2.678
283 HA PRO 43 HA PRO 43 26.331 -3.455 3.985
284 HB2 PRO 43 1HB PRO 43 26.737 -3.151 6.652
285 HB3 PRO 43 2HB PRO 43 27.913 -2.637 5.437
286 HG2 PRO 43 1HG PRO 43 25.892 -1.006 6.925
287 HG3 PRO 43 2HG PRO 43 27.586 -0.627 6.559
288 HD2 PRO 43 1HD PRO 43 25.523 0.395 5.134
289 HD3 PRO 43 2HD PRO 43 27.102 0.038 4.406
290 H SER 44 H SER 44 23.792 -1.613 5.498
291 HA SER 44 HA SER 44 22.641 -3.870 6.874
292 HB2 SER 44 1HB SER 44 22.464 -1.456 7.641
293 HB3 SER 44 2HB SER 44 21.319 -1.209 6.323
294 HG SER 44 HG SER 44 20.014 -2.838 7.260
295 H SER 45 H SER 45 22.271 -5.383 5.232
296 HA SER 45 HA SER 45 20.533 -4.675 3.018
297 HB2 SER 45 1HB SER 45 21.064 -6.770 2.095
298 HB3 SER 45 2HB SER 45 22.546 -6.297 2.924
299 HG SER 45 HG SER 45 21.452 -8.527 3.247
300 H GLY 46 H GLY 46 18.401 -5.032 2.915
301 HA2 GLY 46 1HA GLY 46 16.783 -6.961 3.696
302 HA3 GLY 46 2HA GLY 46 17.108 -6.217 5.255
Start of MODEL 14
1 H1 GLY 1 H GLY 1 -13.795 -26.357 1.283
2 HA2 GLY 1 1HA GLY 1 -12.977 -25.346 3.356
3 HA3 GLY 1 2HA GLY 1 -11.514 -24.915 2.484
4 H SER 2 H SER 2 -11.467 -22.758 2.447
5 HA SER 2 HA SER 2 -13.929 -21.327 1.702
6 HB2 SER 2 1HB SER 2 -12.777 -20.822 3.935
7 HB3 SER 2 2HB SER 2 -11.499 -20.075 2.977
8 HG SER 2 HG SER 2 -12.760 -18.432 2.578
9 H SER 3 H SER 3 -13.590 -21.712 -0.544
10 HA SER 3 HA SER 3 -11.200 -20.704 -1.813
11 HB2 SER 3 1HB SER 3 -12.169 -22.632 -2.833
12 HB3 SER 3 2HB SER 3 -13.766 -21.885 -2.885
13 HG SER 3 HG SER 3 -11.479 -21.029 -4.336
14 H GLY 4 H GLY 4 -14.669 -19.937 -2.201
15 HA2 GLY 4 1HA GLY 4 -13.939 -17.309 -3.248
16 HA3 GLY 4 2HA GLY 4 -15.543 -18.027 -3.268
17 H SER 5 H SER 5 -16.654 -16.352 -2.357
18 HA SER 5 HA SER 5 -17.236 -14.747 -0.809
19 HB2 SER 5 1HB SER 5 -16.785 -17.150 0.979
20 HB3 SER 5 2HB SER 5 -17.778 -15.747 1.372
21 HG SER 5 HG SER 5 -18.226 -17.418 -0.875
22 H SER 6 H SER 6 -14.542 -14.466 -1.429
23 HA SER 6 HA SER 6 -13.269 -13.953 1.173
24 HB2 SER 6 1HB SER 6 -12.087 -14.271 -1.593
25 HB3 SER 6 2HB SER 6 -11.156 -13.748 -0.190
26 HG SER 6 HG SER 6 -12.662 -16.136 -0.158
27 H GLY 7 H GLY 7 -12.542 -11.930 1.718
28 HA2 GLY 7 1HA GLY 7 -11.877 -9.683 1.008
29 HA3 GLY 7 2HA GLY 7 -13.161 -9.761 -0.189
30 H SER 8 H SER 8 -12.707 -9.995 3.337
31 HA SER 8 HA SER 8 -15.390 -8.994 3.790
32 HB2 SER 8 1HB SER 8 -14.389 -10.788 5.216
33 HB3 SER 8 2HB SER 8 -13.228 -9.606 5.819
34 HG SER 8 HG SER 8 -15.238 -8.356 6.365
35 H GLY 9 H GLY 9 -12.053 -7.928 4.366
36 HA2 GLY 9 1HA GLY 9 -13.090 -5.246 5.016
37 HA3 GLY 9 2HA GLY 9 -11.512 -5.858 5.487
38 H GLU 10 H GLU 10 -10.260 -6.664 3.366
39 HA GLU 10 HA GLU 10 -8.883 -5.677 1.789
40 HB2 GLU 10 1HB GLU 10 -10.853 -6.908 0.659
41 HB3 GLU 10 2HB GLU 10 -11.459 -5.300 0.288
42 HG2 GLU 10 1HG GLU 10 -8.650 -5.941 -0.425
43 HG3 GLU 10 2HG GLU 10 -9.944 -6.635 -1.399
44 H LYS 11 H LYS 11 -9.526 -3.752 3.695
45 HA LYS 11 HA LYS 11 -10.689 -1.414 3.097
46 HB2 LYS 11 1HB LYS 11 -7.937 -1.826 4.267
47 HB3 LYS 11 2HB LYS 11 -8.742 -0.263 4.235
48 HG2 LYS 11 1HG LYS 11 -10.632 -1.326 5.503
49 HG3 LYS 11 2HG LYS 11 -9.600 -2.745 5.697
50 HD2 LYS 11 1HD LYS 11 -7.873 -0.990 6.590
51 HD3 LYS 11 2HD LYS 11 -9.316 -0.011 6.864
52 HE2 LYS 11 1HE LYS 11 -10.280 -1.925 8.141
53 HE3 LYS 11 2HE LYS 11 -8.731 -2.750 7.979
54 HZ1 LYS 11 3HZ LYS 11 -8.495 -0.075 8.999
55 HZ2 LYS 11 1HZ LYS 11 -7.835 -1.518 9.587
56 HZ3 LYS 11 2HZ LYS 11 -9.417 -1.083 9.997
57 HA PRO 12 HA PRO 12 -9.029 -0.043 -0.767
58 HB2 PRO 12 1HB PRO 12 -10.028 2.481 -0.699
59 HB3 PRO 12 2HB PRO 12 -11.024 1.062 -1.046
60 HG2 PRO 12 1HG PRO 12 -10.700 2.567 1.521
61 HG3 PRO 12 2HG PRO 12 -12.178 1.933 0.775
62 HD2 PRO 12 1HD PRO 12 -10.911 0.665 2.805
63 HD3 PRO 12 2HD PRO 12 -11.793 -0.209 1.536
64 H PHE 13 H PHE 13 -8.566 1.749 2.228
65 HA PHE 13 HA PHE 13 -6.401 3.324 1.117
66 HB2 PHE 13 1HB PHE 13 -7.261 3.141 4.008
67 HB3 PHE 13 2HB PHE 13 -6.312 4.417 3.253
68 HD1 PHE 13 HD1 PHE 13 -7.576 5.479 1.113
69 HD2 PHE 13 HD2 PHE 13 -9.441 3.641 4.469
70 HE1 PHE 13 HE1 PHE 13 -9.638 6.740 0.653
71 HE2 PHE 13 HE2 PHE 13 -11.506 4.898 4.014
72 HZ PHE 13 HZ PHE 13 -11.607 6.449 2.104
73 H GLN 14 H GLN 14 -4.521 2.331 0.782
74 HA GLN 14 HA GLN 14 -3.308 0.865 2.997
75 HB2 GLN 14 1HB GLN 14 -3.368 -0.237 0.185
76 HB3 GLN 14 2HB GLN 14 -2.625 -0.986 1.592
77 HG2 GLN 14 1HG GLN 14 -4.840 -1.209 2.624
78 HG3 GLN 14 2HG GLN 14 -5.567 -0.501 1.182
79 HE21 GLN 14 1HE2 GLN 14 -2.959 -2.865 1.525
80 HE22 GLN 14 2HE2 GLN 14 -3.740 -4.119 0.631
81 H CYS 15 H CYS 15 -1.189 1.284 3.237
82 HA CYS 15 HA CYS 15 0.036 3.405 1.924
83 HB2 CYS 15 1HB CYS 15 0.627 2.125 4.156
84 HB3 CYS 15 2HB CYS 15 1.720 1.233 3.103
85 H GLU 16 H GLU 16 2.329 3.091 0.881
86 HA GLU 16 HA GLU 16 2.030 1.113 -1.284
87 HB2 GLU 16 1HB GLU 16 1.940 3.734 -1.689
88 HB3 GLU 16 2HB GLU 16 3.689 3.563 -1.655
89 HG2 GLU 16 1HG GLU 16 3.448 1.786 -3.411
90 HG3 GLU 16 2HG GLU 16 1.752 2.250 -3.538
91 H GLU 17 H GLU 17 4.080 2.419 1.168
92 HA GLU 17 HA GLU 17 6.409 0.959 0.170
93 HB2 GLU 17 1HB GLU 17 6.098 2.880 2.483
94 HB3 GLU 17 2HB GLU 17 7.604 2.085 2.047
95 HG2 GLU 17 1HG GLU 17 7.778 3.271 0.033
96 HG3 GLU 17 2HG GLU 17 6.096 3.795 0.101
97 H CYS 18 H CYS 18 3.899 0.736 2.509
98 HA CYS 18 HA CYS 18 5.126 -1.718 3.562
99 HB2 CYS 18 1HB CYS 18 4.435 -1.206 5.806
100 HB3 CYS 18 2HB CYS 18 5.354 0.168 5.199
101 H GLY 19 H GLY 19 2.654 -0.427 1.881
102 HA2 GLY 19 1HA GLY 19 0.400 -0.948 1.604
103 HA3 GLY 19 2HA GLY 19 1.097 -2.557 1.491
104 H LYS 20 H LYS 20 -0.056 -0.199 3.890
105 HA LYS 20 HA LYS 20 -0.753 -2.410 5.680
106 HB2 LYS 20 1HB LYS 20 -0.148 0.465 6.032
107 HB3 LYS 20 2HB LYS 20 -1.387 -0.193 7.094
108 HG2 LYS 20 1HG LYS 20 0.436 -2.084 7.436
109 HG3 LYS 20 2HG LYS 20 1.518 -0.767 6.977
110 HD2 LYS 20 1HD LYS 20 0.218 0.607 8.737
111 HD3 LYS 20 2HD LYS 20 -0.329 -0.963 9.331
112 HE2 LYS 20 1HE LYS 20 2.080 -1.640 9.477
113 HE3 LYS 20 2HE LYS 20 2.508 0.029 9.103
114 HZ1 LYS 20 3HZ LYS 20 0.708 -0.591 11.356
115 HZ2 LYS 20 1HZ LYS 20 1.670 0.779 11.109
116 HZ3 LYS 20 2HZ LYS 20 2.386 -0.689 11.545
117 H ARG 21 H ARG 21 -2.830 -1.540 7.091
118 HA ARG 21 HA ARG 21 -4.949 -1.007 5.115
119 HB2 ARG 21 1HB ARG 21 -4.856 -3.031 7.337
120 HB3 ARG 21 2HB ARG 21 -6.389 -2.442 6.709
121 HG2 ARG 21 1HG ARG 21 -6.123 -3.485 4.688
122 HG3 ARG 21 2HG ARG 21 -4.361 -3.479 4.795
123 HD2 ARG 21 1HD ARG 21 -5.026 -5.727 5.082
124 HD3 ARG 21 2HD ARG 21 -4.597 -5.136 6.686
125 HE ARG 21 HE ARG 21 -7.306 -4.720 6.438
126 HH11 ARG 21 1HH1 ARG 21 -5.147 -7.448 6.309
127 HH12 ARG 21 2HH1 ARG 21 -6.323 -8.573 6.904
128 HH21 ARG 21 1HH2 ARG 21 -8.863 -6.191 7.222
129 HH22 ARG 21 2HH2 ARG 21 -8.436 -7.857 7.422
130 H PHE 22 H PHE 22 -6.290 0.619 5.582
131 HA PHE 22 HA PHE 22 -6.544 1.518 8.359
132 HB2 PHE 22 1HB PHE 22 -6.007 3.410 6.062
133 HB3 PHE 22 2HB PHE 22 -6.195 3.838 7.760
134 HD1 PHE 22 HD1 PHE 22 -4.423 3.416 9.355
135 HD2 PHE 22 HD2 PHE 22 -3.969 2.417 5.242
136 HE1 PHE 22 HE1 PHE 22 -1.997 3.175 9.685
137 HE2 PHE 22 HE2 PHE 22 -1.542 2.173 5.566
138 HZ PHE 22 HZ PHE 22 -0.553 2.551 7.790
139 H THR 23 H THR 23 -8.476 2.593 8.840
140 HA THR 23 HA THR 23 -10.634 2.024 6.962
141 HB THR 23 HB THR 23 -12.152 2.485 8.819
142 HG1 THR 23 HG1 THR 23 -9.778 3.409 10.018
143 HG21 THR 23 3HG2 THR 23 -11.816 0.481 9.822
144 HG22 THR 23 1HG2 THR 23 -10.130 0.831 10.200
145 HG23 THR 23 2HG2 THR 23 -10.580 0.310 8.577
146 H GLN 24 H GLN 24 -9.038 4.737 8.508
147 HA GLN 24 HA GLN 24 -10.838 6.583 7.092
148 HB2 GLN 24 1HB GLN 24 -9.101 6.951 9.528
149 HB3 GLN 24 2HB GLN 24 -9.820 8.305 8.667
150 HG2 GLN 24 1HG GLN 24 -11.287 6.056 10.025
151 HG3 GLN 24 2HG GLN 24 -11.173 7.729 10.571
152 HE21 GLN 24 1HE2 GLN 24 -13.059 5.539 8.978
153 HE22 GLN 24 2HE2 GLN 24 -14.093 6.626 8.122
154 H ASN 25 H ASN 25 -10.076 7.880 5.528
155 HA ASN 25 HA ASN 25 -7.667 7.381 4.246
156 HB2 ASN 25 1HB ASN 25 -8.097 9.774 3.268
157 HB3 ASN 25 2HB ASN 25 -9.218 8.465 2.904
158 HD21 ASN 25 1HD2 ASN 25 -11.230 8.411 3.951
159 HD22 ASN 25 2HD2 ASN 25 -11.908 9.829 4.668
160 H SER 26 H SER 26 -8.451 9.758 6.725
161 HA SER 26 HA SER 26 -6.116 11.291 6.610
162 HB2 SER 26 1HB SER 26 -8.130 11.924 7.906
163 HB3 SER 26 2HB SER 26 -7.774 10.638 9.059
164 HG SER 26 HG SER 26 -5.595 11.854 9.084
165 H HIS 27 H HIS 27 -6.862 8.411 8.552
166 HA HIS 27 HA HIS 27 -4.584 8.201 10.063
167 HB2 HIS 27 1HB HIS 27 -6.485 6.224 8.909
168 HB3 HIS 27 2HB HIS 27 -4.973 5.602 9.565
169 HD1 HIS 27 HD1 HIS 27 -8.012 5.343 10.722
170 HD2 HIS 27 HD2 HIS 27 -4.893 7.653 12.204
171 HE1 HIS 27 HE1 HIS 27 -8.553 5.725 13.148
172 H LEU 28 H LEU 28 -5.058 6.972 6.759
173 HA LEU 28 HA LEU 28 -2.478 5.892 6.454
174 HB2 LEU 28 1HB LEU 28 -4.120 5.177 4.937
175 HB3 LEU 28 2HB LEU 28 -4.566 6.829 4.513
176 HG LEU 28 HG LEU 28 -2.316 7.042 3.407
177 HD11 LEU 28 1HD1 LEU 28 -2.188 4.067 3.355
178 HD12 LEU 28 2HD1 LEU 28 -1.515 4.933 4.736
179 HD13 LEU 28 3HD1 LEU 28 -0.909 5.257 3.112
180 HD21 LEU 28 3HD2 LEU 28 -4.127 4.888 2.322
181 HD22 LEU 28 1HD2 LEU 28 -3.006 5.888 1.398
182 HD23 LEU 28 2HD2 LEU 28 -4.410 6.623 2.173
183 H HIS 29 H HIS 29 -3.774 8.888 5.009
184 HA HIS 29 HA HIS 29 -1.501 9.952 3.963
185 HB2 HIS 29 1HB HIS 29 -3.728 11.397 5.407
186 HB3 HIS 29 2HB HIS 29 -2.494 12.210 4.449
187 HD1 HIS 29 HD1 HIS 29 -4.235 13.083 2.761
188 HD2 HIS 29 HD2 HIS 29 -4.094 8.941 3.053
189 HE1 HIS 29 HE1 HIS 29 -5.553 12.226 0.798
190 H SER 30 H SER 30 -2.609 10.395 7.318
191 HA SER 30 HA SER 30 -0.288 11.847 8.109
192 HB2 SER 30 1HB SER 30 -2.348 10.409 9.801
193 HB3 SER 30 2HB SER 30 -1.157 11.563 10.400
194 HG SER 30 HG SER 30 -2.266 12.895 8.558
195 H HIS 31 H HIS 31 -1.043 8.504 7.794
196 HA HIS 31 HA HIS 31 0.918 7.520 9.630
197 HB2 HIS 31 1HB HIS 31 -0.663 5.898 9.282
198 HB3 HIS 31 2HB HIS 31 -0.902 6.341 7.595
199 HD1 HIS 31 HD1 HIS 31 1.118 4.136 9.807
200 HD2 HIS 31 HD2 HIS 31 0.864 5.103 5.774
201 HE1 HIS 31 HE1 HIS 31 2.473 2.388 8.609
202 H GLN 32 H GLN 32 0.794 7.991 6.121
203 HA GLN 32 HA GLN 32 3.140 6.815 5.334
204 HB2 GLN 32 1HB GLN 32 1.858 9.370 4.371
205 HB3 GLN 32 2HB GLN 32 3.239 8.632 3.570
206 HG2 GLN 32 1HG GLN 32 1.721 6.514 3.527
207 HG3 GLN 32 2HG GLN 32 0.421 7.685 3.746
208 HE21 GLN 32 1HE2 GLN 32 -0.524 7.635 1.796
209 HE22 GLN 32 2HE2 GLN 32 0.266 8.026 0.310
210 H ARG 33 H ARG 33 2.757 9.512 7.397
211 HA ARG 33 HA ARG 33 5.106 10.945 6.966
212 HB2 ARG 33 1HB ARG 33 3.624 10.445 9.554
213 HB3 ARG 33 2HB ARG 33 4.877 11.660 9.337
214 HG2 ARG 33 1HG ARG 33 3.450 12.676 7.545
215 HG3 ARG 33 2HG ARG 33 2.171 11.561 8.031
216 HD2 ARG 33 1HD ARG 33 1.922 12.563 10.117
217 HD3 ARG 33 2HD ARG 33 3.513 13.321 10.048
218 HE ARG 33 HE ARG 33 2.108 14.450 7.990
219 HH11 ARG 33 1HH1 ARG 33 1.659 14.145 11.429
220 HH12 ARG 33 2HH1 ARG 33 0.780 15.630 11.577
221 HH21 ARG 33 1HH2 ARG 33 0.951 16.408 8.173
222 HH22 ARG 33 2HH2 ARG 33 0.377 16.916 9.725
223 H VAL 34 H VAL 34 4.547 7.944 8.685
224 HA VAL 34 HA VAL 34 6.913 7.754 10.143
225 HB VAL 34 HB VAL 34 6.565 5.371 10.211
226 HG11 VAL 34 1HG1 VAL 34 4.176 5.293 10.892
227 HG12 VAL 34 2HG1 VAL 34 5.066 6.651 11.583
228 HG13 VAL 34 3HG1 VAL 34 3.974 6.912 10.222
229 HG21 VAL 34 3HG2 VAL 34 5.378 4.131 8.696
230 HG22 VAL 34 1HG2 VAL 34 4.321 5.474 8.261
231 HG23 VAL 34 2HG2 VAL 34 5.971 5.414 7.641
232 H HIS 35 H HIS 35 6.414 7.638 6.763
233 HA HIS 35 HA HIS 35 9.000 6.340 6.293
234 HB2 HIS 35 1HB HIS 35 6.943 7.174 4.242
235 HB3 HIS 35 2HB HIS 35 8.322 6.107 3.994
236 HD1 HIS 35 HD1 HIS 35 8.134 3.942 5.881
237 HD2 HIS 35 HD2 HIS 35 4.685 5.723 4.402
238 HE1 HIS 35 HE1 HIS 35 6.305 2.251 6.223
239 H THR 36 H THR 36 8.513 9.146 7.301
240 HA THR 36 HA THR 36 8.875 11.219 5.679
241 HB THR 36 HB THR 36 10.871 11.886 7.322
242 HG1 THR 36 HG1 THR 36 9.480 10.006 8.916
243 HG21 THR 36 3HG2 THR 36 8.484 11.807 8.929
244 HG22 THR 36 1HG2 THR 36 8.087 12.228 7.264
245 HG23 THR 36 2HG2 THR 36 9.265 13.188 8.159
246 H GLY 37 H GLY 37 11.854 9.652 6.843
247 HA2 GLY 37 1HA GLY 37 13.190 8.683 4.842
248 HA3 GLY 37 2HA GLY 37 13.110 10.345 4.277
249 H GLU 38 H GLU 38 13.453 9.461 7.652
250 HA GLU 38 HA GLU 38 16.002 10.882 7.712
251 HB2 GLU 38 1HB GLU 38 13.944 11.137 9.361
252 HB3 GLU 38 2HB GLU 38 14.721 9.784 10.173
253 HG2 GLU 38 1HG GLU 38 16.614 11.018 10.695
254 HG3 GLU 38 2HG GLU 38 16.280 12.234 9.463
255 H LYS 39 H LYS 39 15.705 8.152 6.603
256 HA LYS 39 HA LYS 39 16.817 6.281 8.426
257 HB2 LYS 39 1HB LYS 39 16.971 4.802 6.594
258 HB3 LYS 39 2HB LYS 39 15.547 5.783 6.273
259 HG2 LYS 39 1HG LYS 39 17.318 7.251 4.957
260 HG3 LYS 39 2HG LYS 39 18.154 5.699 4.868
261 HD2 LYS 39 1HD LYS 39 15.942 4.740 4.043
262 HD3 LYS 39 2HD LYS 39 15.421 6.413 3.833
263 HE2 LYS 39 1HE LYS 39 17.720 6.592 2.544
264 HE3 LYS 39 2HE LYS 39 17.481 4.856 2.353
265 HZ1 LYS 39 3HZ LYS 39 15.859 5.175 0.875
266 HZ2 LYS 39 1HZ LYS 39 16.437 6.760 0.746
267 HZ3 LYS 39 2HZ LYS 39 15.135 6.415 1.769
268 HA PRO 40 HA PRO 40 21.052 7.496 8.406
269 HB2 PRO 40 1HB PRO 40 22.160 5.142 9.184
270 HB3 PRO 40 2HB PRO 40 21.273 6.198 10.290
271 HG2 PRO 40 1HG PRO 40 20.339 3.738 8.863
272 HG3 PRO 40 2HG PRO 40 20.055 4.233 10.542
273 HD2 PRO 40 1HD PRO 40 18.202 4.556 8.594
274 HD3 PRO 40 2HD PRO 40 18.358 5.680 9.960
275 H SER 41 H SER 41 19.675 5.407 6.197
276 HA SER 41 HA SER 41 22.173 4.663 4.894
277 HB2 SER 41 1HB SER 41 20.110 3.132 5.120
278 HB3 SER 41 2HB SER 41 19.410 4.108 3.829
279 HG SER 41 HG SER 41 20.776 3.269 2.431
280 H GLY 42 H GLY 42 22.734 6.931 4.477
281 HA2 GLY 42 1HA GLY 42 22.918 7.866 2.088
282 HA3 GLY 42 2HA GLY 42 21.191 8.130 2.274
283 HA PRO 43 HA PRO 43 23.976 11.521 4.303
284 HB2 PRO 43 1HB PRO 43 24.601 13.104 2.188
285 HB3 PRO 43 2HB PRO 43 25.646 11.793 2.749
286 HG2 PRO 43 1HG PRO 43 23.702 11.825 0.473
287 HG3 PRO 43 2HG PRO 43 25.340 11.150 0.535
288 HD2 PRO 43 1HD PRO 43 23.123 9.615 0.776
289 HD3 PRO 43 2HD PRO 43 24.645 9.231 1.605
290 H SER 44 H SER 44 22.810 13.142 5.134
291 HA SER 44 HA SER 44 20.186 13.683 4.346
292 HB2 SER 44 1HB SER 44 20.260 15.538 5.935
293 HB3 SER 44 2HB SER 44 21.074 14.129 6.615
294 HG SER 44 HG SER 44 23.051 15.076 6.110
295 H SER 45 H SER 45 19.546 16.162 4.034
296 HA SER 45 HA SER 45 19.344 17.850 2.522
297 HB2 SER 45 1HB SER 45 21.457 18.593 3.536
298 HB3 SER 45 2HB SER 45 22.360 17.599 2.394
299 HG SER 45 HG SER 45 21.775 18.927 0.758
300 H GLY 46 H GLY 46 18.869 15.319 1.504
301 HA2 GLY 46 1HA GLY 46 20.297 14.916 -0.956
302 HA3 GLY 46 2HA GLY 46 18.854 14.059 -0.434
Start of MODEL 15
1 H1 GLY 1 H GLY 1 -7.912 -17.108 -11.832
2 HA2 GLY 1 1HA GLY 1 -10.332 -17.265 -10.276
3 HA3 GLY 1 2HA GLY 1 -9.907 -18.784 -11.051
4 H SER 2 H SER 2 -9.487 -19.880 -9.153
5 HA SER 2 HA SER 2 -8.416 -20.445 -7.202
6 HB2 SER 2 1HB SER 2 -6.028 -20.734 -7.487
7 HB3 SER 2 2HB SER 2 -6.828 -21.100 -9.016
8 HG SER 2 HG SER 2 -6.127 -19.195 -9.848
9 H SER 3 H SER 3 -9.460 -17.883 -6.992
10 HA SER 3 HA SER 3 -7.486 -16.031 -6.057
11 HB2 SER 3 1HB SER 3 -9.586 -15.213 -6.989
12 HB3 SER 3 2HB SER 3 -10.497 -16.048 -5.732
13 HG SER 3 HG SER 3 -8.703 -13.875 -5.416
14 H GLY 4 H GLY 4 -7.328 -15.220 -3.870
15 HA2 GLY 4 1HA GLY 4 -8.486 -16.191 -1.592
16 HA3 GLY 4 2HA GLY 4 -7.223 -17.358 -1.957
17 H SER 5 H SER 5 -5.284 -15.611 -2.989
18 HA SER 5 HA SER 5 -3.811 -14.916 -0.812
19 HB2 SER 5 1HB SER 5 -2.637 -13.262 -2.312
20 HB3 SER 5 2HB SER 5 -2.803 -14.882 -2.991
21 HG SER 5 HG SER 5 -3.617 -13.804 -4.614
22 H SER 6 H SER 6 -6.083 -12.809 -2.543
23 HA SER 6 HA SER 6 -5.695 -10.653 -0.658
24 HB2 SER 6 1HB SER 6 -6.112 -10.105 -2.996
25 HB3 SER 6 2HB SER 6 -7.648 -10.970 -2.951
26 HG SER 6 HG SER 6 -6.944 -8.526 -1.754
27 H GLY 7 H GLY 7 -6.663 -10.581 1.252
28 HA2 GLY 7 1HA GLY 7 -9.390 -10.762 1.705
29 HA3 GLY 7 2HA GLY 7 -8.746 -12.371 1.993
30 H SER 8 H SER 8 -6.312 -11.788 3.151
31 HA SER 8 HA SER 8 -6.733 -11.672 5.789
32 HB2 SER 8 1HB SER 8 -4.446 -10.321 4.338
33 HB3 SER 8 2HB SER 8 -4.460 -10.689 6.062
34 HG SER 8 HG SER 8 -4.307 -12.801 5.633
35 H GLY 9 H GLY 9 -6.318 -8.789 3.749
36 HA2 GLY 9 1HA GLY 9 -7.142 -7.107 6.008
37 HA3 GLY 9 2HA GLY 9 -6.399 -6.539 4.520
38 H GLU 10 H GLU 10 -8.805 -5.563 5.825
39 HA GLU 10 HA GLU 10 -10.663 -5.950 3.582
40 HB2 GLU 10 1HB GLU 10 -11.275 -7.199 5.772
41 HB3 GLU 10 2HB GLU 10 -11.680 -5.602 6.386
42 HG2 GLU 10 1HG GLU 10 -13.702 -6.431 5.616
43 HG3 GLU 10 2HG GLU 10 -13.155 -5.381 4.309
44 H LYS 11 H LYS 11 -8.873 -3.875 3.715
45 HA LYS 11 HA LYS 11 -10.666 -1.594 4.170
46 HB2 LYS 11 1HB LYS 11 -7.866 -1.964 5.171
47 HB3 LYS 11 2HB LYS 11 -8.447 -0.349 4.787
48 HG2 LYS 11 1HG LYS 11 -9.913 -0.307 6.532
49 HG3 LYS 11 2HG LYS 11 -10.124 -2.059 6.542
50 HD2 LYS 11 1HD LYS 11 -7.491 -0.839 7.285
51 HD3 LYS 11 2HD LYS 11 -8.800 -0.930 8.465
52 HE2 LYS 11 1HE LYS 11 -7.970 -3.353 6.913
53 HE3 LYS 11 2HE LYS 11 -7.068 -2.853 8.343
54 HZ1 LYS 11 3HZ LYS 11 -8.704 -4.426 9.007
55 HZ2 LYS 11 1HZ LYS 11 -9.939 -3.590 8.206
56 HZ3 LYS 11 2HZ LYS 11 -9.207 -2.913 9.573
57 HA PRO 12 HA PRO 12 -9.550 -0.603 0.018
58 HB2 PRO 12 1HB PRO 12 -10.409 1.972 -0.007
59 HB3 PRO 12 2HB PRO 12 -11.511 0.591 -0.056
60 HG2 PRO 12 1HG PRO 12 -10.714 2.297 2.272
61 HG3 PRO 12 2HG PRO 12 -12.320 1.688 1.829
62 HD2 PRO 12 1HD PRO 12 -10.803 0.532 3.751
63 HD3 PRO 12 2HD PRO 12 -11.915 -0.396 2.726
64 H PHE 13 H PHE 13 -8.848 1.955 2.411
65 HA PHE 13 HA PHE 13 -6.706 3.062 0.912
66 HB2 PHE 13 1HB PHE 13 -7.249 3.339 3.874
67 HB3 PHE 13 2HB PHE 13 -6.258 4.407 2.886
68 HD1 PHE 13 HD1 PHE 13 -7.290 5.936 1.289
69 HD2 PHE 13 HD2 PHE 13 -9.638 3.472 3.845
70 HE1 PHE 13 HE1 PHE 13 -9.264 7.326 0.810
71 HE2 PHE 13 HE2 PHE 13 -11.615 4.857 3.370
72 HZ PHE 13 HZ PHE 13 -11.430 6.786 1.850
73 H GLN 14 H GLN 14 -4.660 2.428 0.743
74 HA GLN 14 HA GLN 14 -3.442 0.855 2.881
75 HB2 GLN 14 1HB GLN 14 -3.633 -0.035 0.002
76 HB3 GLN 14 2HB GLN 14 -2.499 -0.726 1.156
77 HG2 GLN 14 1HG GLN 14 -4.677 -1.088 2.580
78 HG3 GLN 14 2HG GLN 14 -5.452 -0.999 0.999
79 HE21 GLN 14 1HE2 GLN 14 -2.739 -2.579 2.643
80 HE22 GLN 14 2HE2 GLN 14 -2.910 -4.097 1.838
81 H CYS 15 H CYS 15 -1.168 0.929 2.920
82 HA CYS 15 HA CYS 15 -0.051 3.351 1.938
83 HB2 CYS 15 1HB CYS 15 0.555 1.866 4.041
84 HB3 CYS 15 2HB CYS 15 1.685 1.123 2.913
85 H GLU 16 H GLU 16 2.323 3.094 0.951
86 HA GLU 16 HA GLU 16 2.040 1.382 -1.431
87 HB2 GLU 16 1HB GLU 16 1.976 4.027 -1.562
88 HB3 GLU 16 2HB GLU 16 3.723 3.845 -1.496
89 HG2 GLU 16 1HG GLU 16 3.342 2.130 -3.415
90 HG3 GLU 16 2HG GLU 16 1.807 2.974 -3.607
91 H GLU 17 H GLU 17 4.113 2.508 1.122
92 HA GLU 17 HA GLU 17 6.409 1.060 0.043
93 HB2 GLU 17 1HB GLU 17 6.162 2.771 2.524
94 HB3 GLU 17 2HB GLU 17 7.652 2.058 1.922
95 HG2 GLU 17 1HG GLU 17 7.638 3.433 -0.006
96 HG3 GLU 17 2HG GLU 17 5.994 3.981 0.318
97 H CYS 18 H CYS 18 3.917 0.760 2.410
98 HA CYS 18 HA CYS 18 5.068 -1.808 3.255
99 HB2 CYS 18 1HB CYS 18 4.471 -1.431 5.547
100 HB3 CYS 18 2HB CYS 18 5.412 -0.044 5.009
101 H GLY 19 H GLY 19 2.673 -0.415 1.636
102 HA2 GLY 19 1HA GLY 19 0.419 -0.843 1.290
103 HA3 GLY 19 2HA GLY 19 1.007 -2.499 1.302
104 H LYS 20 H LYS 20 0.606 -0.096 3.896
105 HA LYS 20 HA LYS 20 -0.419 -2.045 5.704
106 HB2 LYS 20 1HB LYS 20 0.080 0.885 5.760
107 HB3 LYS 20 2HB LYS 20 -1.076 0.248 6.923
108 HG2 LYS 20 1HG LYS 20 1.546 -1.122 6.670
109 HG3 LYS 20 2HG LYS 20 1.494 0.448 7.476
110 HD2 LYS 20 1HD LYS 20 -0.419 -1.741 8.218
111 HD3 LYS 20 2HD LYS 20 1.207 -1.680 8.903
112 HE2 LYS 20 1HE LYS 20 -0.510 0.761 8.968
113 HE3 LYS 20 2HE LYS 20 -0.801 -0.532 10.130
114 HZ1 LYS 20 3HZ LYS 20 1.475 -0.349 10.877
115 HZ2 LYS 20 1HZ LYS 20 0.713 1.157 10.992
116 HZ3 LYS 20 2HZ LYS 20 1.795 0.853 9.729
117 H ARG 21 H ARG 21 -2.518 -1.071 7.005
118 HA ARG 21 HA ARG 21 -4.622 -0.584 5.016
119 HB2 ARG 21 1HB ARG 21 -4.598 -2.735 7.132
120 HB3 ARG 21 2HB ARG 21 -6.071 -2.194 6.337
121 HG2 ARG 21 1HG ARG 21 -5.537 -3.187 4.360
122 HG3 ARG 21 2HG ARG 21 -3.799 -3.029 4.622
123 HD2 ARG 21 1HD ARG 21 -4.189 -4.735 6.535
124 HD3 ARG 21 2HD ARG 21 -5.698 -5.081 5.691
125 HE ARG 21 HE ARG 21 -3.708 -5.208 3.785
126 HH11 ARG 21 1HH1 ARG 21 -4.491 -6.839 6.760
127 HH12 ARG 21 2HH1 ARG 21 -3.760 -8.335 6.284
128 HH21 ARG 21 1HH2 ARG 21 -2.742 -7.173 3.147
129 HH22 ARG 21 2HH2 ARG 21 -2.764 -8.525 4.229
130 H PHE 22 H PHE 22 -6.261 0.737 5.674
131 HA PHE 22 HA PHE 22 -6.530 1.447 8.477
132 HB2 PHE 22 1HB PHE 22 -6.040 3.633 6.454
133 HB3 PHE 22 2HB PHE 22 -6.141 3.784 8.205
134 HD1 PHE 22 HD2 PHE 22 -4.082 2.437 5.446
135 HD2 PHE 22 HD1 PHE 22 -4.240 3.526 9.558
136 HE1 PHE 22 HE2 PHE 22 -1.640 2.186 5.603
137 HE2 PHE 22 HE1 PHE 22 -1.797 3.279 9.720
138 HZ PHE 22 HZ PHE 22 -0.494 2.607 7.742
139 H THR 23 H THR 23 -8.466 2.630 8.938
140 HA THR 23 HA THR 23 -10.593 2.003 7.064
141 HB THR 23 HB THR 23 -10.758 3.204 9.835
142 HG1 THR 23 HG1 THR 23 -11.679 0.853 10.011
143 HG21 THR 23 3HG2 THR 23 -12.914 1.974 8.115
144 HG22 THR 23 1HG2 THR 23 -12.713 3.700 8.412
145 HG23 THR 23 2HG2 THR 23 -13.115 2.616 9.744
146 H GLN 24 H GLN 24 -9.340 4.878 8.743
147 HA GLN 24 HA GLN 24 -10.953 6.586 7.002
148 HB2 GLN 24 1HB GLN 24 -10.611 6.818 9.615
149 HB3 GLN 24 2HB GLN 24 -9.162 7.684 9.123
150 HG2 GLN 24 1HG GLN 24 -10.894 9.275 9.468
151 HG3 GLN 24 2HG GLN 24 -10.592 9.165 7.734
152 HE21 GLN 24 1HE2 GLN 24 -12.848 8.671 10.280
153 HE22 GLN 24 2HE2 GLN 24 -14.199 8.235 9.295
154 H ASN 25 H ASN 25 -10.123 7.716 5.358
155 HA ASN 25 HA ASN 25 -7.682 7.199 4.216
156 HB2 ASN 25 1HB ASN 25 -9.507 8.341 3.038
157 HB3 ASN 25 2HB ASN 25 -9.263 9.774 4.031
158 HD21 ASN 25 1HD2 ASN 25 -9.148 9.611 1.185
159 HD22 ASN 25 2HD2 ASN 25 -7.550 10.065 0.710
160 H SER 26 H SER 26 -8.499 9.783 6.493
161 HA SER 26 HA SER 26 -6.165 11.247 6.460
162 HB2 SER 26 1HB SER 26 -8.203 11.835 7.761
163 HB3 SER 26 2HB SER 26 -7.788 10.578 8.927
164 HG SER 26 HG SER 26 -5.791 12.407 8.344
165 H HIS 27 H HIS 27 -6.889 8.370 8.418
166 HA HIS 27 HA HIS 27 -4.623 8.164 9.930
167 HB2 HIS 27 1HB HIS 27 -6.724 6.573 9.627
168 HB3 HIS 27 2HB HIS 27 -5.602 5.671 8.613
169 HD1 HIS 27 HD1 HIS 27 -6.284 3.991 10.787
170 HD2 HIS 27 HD2 HIS 27 -3.502 7.022 11.366
171 HE1 HIS 27 HE1 HIS 27 -4.987 3.331 12.838
172 H LEU 28 H LEU 28 -5.025 7.189 6.552
173 HA LEU 28 HA LEU 28 -2.430 6.075 6.269
174 HB2 LEU 28 1HB LEU 28 -4.049 5.382 4.714
175 HB3 LEU 28 2HB LEU 28 -4.502 7.040 4.324
176 HG LEU 28 HG LEU 28 -2.337 7.337 3.183
177 HD11 LEU 28 1HD1 LEU 28 -0.718 5.953 3.885
178 HD12 LEU 28 2HD1 LEU 28 -1.372 4.855 2.670
179 HD13 LEU 28 3HD1 LEU 28 -1.857 4.691 4.357
180 HD21 LEU 28 3HD2 LEU 28 -4.273 6.696 1.882
181 HD22 LEU 28 1HD2 LEU 28 -3.991 4.994 2.249
182 HD23 LEU 28 2HD2 LEU 28 -2.838 5.884 1.254
183 H HIS 29 H HIS 29 -3.714 9.027 4.731
184 HA HIS 29 HA HIS 29 -1.506 10.187 3.769
185 HB2 HIS 29 1HB HIS 29 -3.861 11.374 5.181
186 HB3 HIS 29 2HB HIS 29 -2.532 12.427 4.705
187 HD1 HIS 29 HD1 HIS 29 -4.035 13.634 2.978
188 HD2 HIS 29 HD2 HIS 29 -3.554 9.568 2.271
189 HE1 HIS 29 HE1 HIS 29 -4.886 13.252 0.642
190 H SER 30 H SER 30 -2.417 10.200 7.190
191 HA SER 30 HA SER 30 -0.120 11.726 7.987
192 HB2 SER 30 1HB SER 30 -2.075 11.929 9.352
193 HB3 SER 30 2HB SER 30 -2.197 10.181 9.547
194 HG SER 30 HG SER 30 -1.034 11.786 11.180
195 H HIS 31 H HIS 31 -1.087 8.318 8.218
196 HA HIS 31 HA HIS 31 1.055 7.301 9.625
197 HB2 HIS 31 1HB HIS 31 -0.581 5.720 9.234
198 HB3 HIS 31 2HB HIS 31 -0.767 6.175 7.543
199 HD1 HIS 31 HD1 HIS 31 1.410 4.120 9.816
200 HD2 HIS 31 HD2 HIS 31 0.820 4.776 5.756
201 HE1 HIS 31 HE1 HIS 31 2.740 2.335 8.646
202 H GLN 32 H GLN 32 0.828 7.993 6.165
203 HA GLN 32 HA GLN 32 3.141 6.855 5.227
204 HB2 GLN 32 1HB GLN 32 1.627 9.317 4.473
205 HB3 GLN 32 2HB GLN 32 3.187 9.020 3.718
206 HG2 GLN 32 1HG GLN 32 2.450 7.047 2.702
207 HG3 GLN 32 2HG GLN 32 1.032 6.940 3.744
208 HE21 GLN 32 1HE2 GLN 32 1.349 6.998 0.791
209 HE22 GLN 32 2HE2 GLN 32 0.319 8.277 0.254
210 H ARG 33 H ARG 33 2.807 9.553 7.357
211 HA ARG 33 HA ARG 33 5.291 10.806 6.940
212 HB2 ARG 33 1HB ARG 33 4.834 12.048 8.846
213 HB3 ARG 33 2HB ARG 33 3.225 11.575 8.319
214 HG2 ARG 33 1HG ARG 33 3.289 9.710 9.946
215 HG3 ARG 33 2HG ARG 33 4.843 10.315 10.521
216 HD2 ARG 33 1HD ARG 33 2.916 11.040 11.908
217 HD3 ARG 33 2HD ARG 33 3.844 12.378 11.230
218 HE ARG 33 HE ARG 33 1.119 11.636 10.584
219 HH11 ARG 33 1HH1 ARG 33 3.937 13.480 9.702
220 HH12 ARG 33 2HH1 ARG 33 3.056 14.601 8.717
221 HH21 ARG 33 1HH2 ARG 33 -0.052 13.104 9.290
222 HH22 ARG 33 2HH2 ARG 33 0.787 14.386 8.484
223 H VAL 34 H VAL 34 4.328 8.064 8.918
224 HA VAL 34 HA VAL 34 6.485 7.754 10.586
225 HB VAL 34 HB VAL 34 6.008 5.402 10.677
226 HG11 VAL 34 1HG1 VAL 34 3.293 5.744 10.442
227 HG12 VAL 34 2HG1 VAL 34 4.262 6.142 11.862
228 HG13 VAL 34 3HG1 VAL 34 3.877 7.391 10.677
229 HG21 VAL 34 3HG2 VAL 34 5.461 5.701 7.925
230 HG22 VAL 34 1HG2 VAL 34 5.482 4.215 8.876
231 HG23 VAL 34 2HG2 VAL 34 3.980 5.119 8.685
232 H HIS 35 H HIS 35 6.367 7.359 7.151
233 HA HIS 35 HA HIS 35 8.927 5.970 7.064
234 HB2 HIS 35 1HB HIS 35 7.135 6.901 4.810
235 HB3 HIS 35 2HB HIS 35 8.566 5.890 4.636
236 HD1 HIS 35 HD1 HIS 35 8.321 3.587 6.278
237 HD2 HIS 35 HD2 HIS 35 4.890 5.416 4.816
238 HE1 HIS 35 HE1 HIS 35 6.521 1.836 6.404
239 H THR 36 H THR 36 8.537 8.814 7.996
240 HA THR 36 HA THR 36 9.272 10.845 6.461
241 HB THR 36 HB THR 36 10.963 11.533 8.271
242 HG1 THR 36 HG1 THR 36 9.898 9.168 9.459
243 HG21 THR 36 3HG2 THR 36 8.324 11.853 8.118
244 HG22 THR 36 1HG2 THR 36 9.254 12.395 9.515
245 HG23 THR 36 2HG2 THR 36 8.381 10.863 9.576
246 H GLY 37 H GLY 37 11.599 8.371 7.538
247 HA2 GLY 37 1HA GLY 37 13.956 9.192 6.565
248 HA3 GLY 37 2HA GLY 37 13.423 7.529 6.370
249 H GLU 38 H GLU 38 12.253 6.976 4.408
250 HA GLU 38 HA GLU 38 13.525 7.967 2.101
251 HB2 GLU 38 1HB GLU 38 11.154 6.179 2.553
252 HB3 GLU 38 2HB GLU 38 11.611 6.672 0.928
253 HG2 GLU 38 1HG GLU 38 13.955 5.799 1.586
254 HG3 GLU 38 2HG GLU 38 13.091 4.947 2.864
255 H LYS 39 H LYS 39 13.112 10.279 2.437
256 HA LYS 39 HA LYS 39 10.941 11.163 0.788
257 HB2 LYS 39 1HB LYS 39 10.111 10.860 3.284
258 HB3 LYS 39 2HB LYS 39 10.906 12.414 3.499
259 HG2 LYS 39 1HG LYS 39 8.648 12.891 3.047
260 HG3 LYS 39 2HG LYS 39 9.526 13.251 1.559
261 HD2 LYS 39 1HD LYS 39 8.839 11.136 0.602
262 HD3 LYS 39 2HD LYS 39 8.052 10.676 2.114
263 HE2 LYS 39 1HE LYS 39 6.592 12.706 1.844
264 HE3 LYS 39 2HE LYS 39 7.274 12.893 0.229
265 HZ1 LYS 39 3HZ LYS 39 6.512 10.524 -0.152
266 HZ2 LYS 39 1HZ LYS 39 5.301 11.702 -0.063
267 HZ3 LYS 39 2HZ LYS 39 5.593 10.688 1.259
268 HA PRO 40 HA PRO 40 14.130 14.129 -0.008
269 HB2 PRO 40 1HB PRO 40 12.702 15.717 -1.684
270 HB3 PRO 40 2HB PRO 40 13.349 14.146 -2.169
271 HG2 PRO 40 1HG PRO 40 10.576 14.865 -1.301
272 HG3 PRO 40 2HG PRO 40 11.095 13.815 -2.633
273 HD2 PRO 40 1HD PRO 40 10.248 12.839 -0.253
274 HD3 PRO 40 2HD PRO 40 11.480 12.022 -1.236
275 H SER 41 H SER 41 11.264 14.669 1.693
276 HA SER 41 HA SER 41 11.937 17.482 2.215
277 HB2 SER 41 1HB SER 41 9.405 15.914 2.300
278 HB3 SER 41 2HB SER 41 9.582 17.240 3.450
279 HG SER 41 HG SER 41 10.200 18.511 1.510
280 H GLY 42 H GLY 42 13.085 17.874 3.981
281 HA2 GLY 42 1HA GLY 42 13.000 15.929 6.185
282 HA3 GLY 42 2HA GLY 42 14.290 17.086 5.894
283 HA PRO 43 HA PRO 43 12.522 19.629 9.010
284 HB2 PRO 43 1HB PRO 43 13.618 22.010 8.305
285 HB3 PRO 43 2HB PRO 43 14.547 20.714 9.066
286 HG2 PRO 43 1HG PRO 43 14.369 21.471 6.175
287 HG3 PRO 43 2HG PRO 43 15.795 21.024 7.128
288 HD2 PRO 43 1HD PRO 43 14.551 19.287 5.465
289 HD3 PRO 43 2HD PRO 43 15.355 18.767 6.960
290 H SER 44 H SER 44 12.092 20.327 5.624
291 HA SER 44 HA SER 44 10.633 21.735 4.514
292 HB2 SER 44 1HB SER 44 8.885 20.180 6.429
293 HB3 SER 44 2HB SER 44 8.250 21.133 5.088
294 HG SER 44 HG SER 44 10.273 19.346 4.462
295 H SER 45 H SER 45 11.893 23.295 6.333
296 HA SER 45 HA SER 45 9.725 25.055 7.251
297 HB2 SER 45 1HB SER 45 10.549 23.972 9.247
298 HB3 SER 45 2HB SER 45 12.219 24.315 8.797
299 HG SER 45 HG SER 45 12.001 26.163 9.746
300 H GLY 46 H GLY 46 9.866 26.958 6.277
301 HA2 GLY 46 1HA GLY 46 12.263 28.476 6.176
302 HA3 GLY 46 2HA GLY 46 11.927 27.768 4.603
Start of MODEL 16
1 H1 GLY 1 H GLY 1 -13.541 -33.135 8.585
2 HA2 GLY 1 1HA GLY 1 -15.156 -31.096 9.189
3 HA3 GLY 1 2HA GLY 1 -14.027 -31.031 10.534
4 H SER 2 H SER 2 -13.598 -28.862 9.661
5 HA SER 2 HA SER 2 -11.370 -28.981 7.781
6 HB2 SER 2 1HB SER 2 -12.274 -26.978 6.553
7 HB3 SER 2 2HB SER 2 -13.192 -28.461 6.299
8 HG SER 2 HG SER 2 -14.179 -26.212 7.037
9 H SER 3 H SER 3 -9.717 -27.955 8.668
10 HA SER 3 HA SER 3 -10.247 -25.592 10.342
11 HB2 SER 3 1HB SER 3 -8.527 -27.981 10.936
12 HB3 SER 3 2HB SER 3 -8.130 -26.410 11.632
13 HG SER 3 HG SER 3 -10.693 -26.726 12.020
14 H GLY 4 H GLY 4 -8.820 -23.897 10.157
15 HA2 GLY 4 1HA GLY 4 -6.275 -23.800 9.206
16 HA3 GLY 4 2HA GLY 4 -7.248 -23.841 7.743
17 H SER 5 H SER 5 -5.936 -21.708 7.664
18 HA SER 5 HA SER 5 -6.567 -19.510 9.240
19 HB2 SER 5 1HB SER 5 -4.731 -19.330 7.729
20 HB3 SER 5 2HB SER 5 -5.751 -19.699 6.338
21 HG SER 5 HG SER 5 -6.445 -17.484 7.876
22 H SER 6 H SER 6 -8.092 -17.888 9.131
23 HA SER 6 HA SER 6 -10.128 -17.889 7.088
24 HB2 SER 6 1HB SER 6 -12.013 -18.323 8.536
25 HB3 SER 6 2HB SER 6 -10.886 -19.671 8.677
26 HG SER 6 HG SER 6 -10.640 -19.212 10.708
27 H GLY 7 H GLY 7 -11.420 -16.009 7.107
28 HA2 GLY 7 1HA GLY 7 -12.118 -13.912 7.927
29 HA3 GLY 7 2HA GLY 7 -10.890 -14.018 9.180
30 H SER 8 H SER 8 -11.472 -13.312 5.787
31 HA SER 8 HA SER 8 -8.768 -12.331 5.407
32 HB2 SER 8 1HB SER 8 -11.133 -12.804 3.653
33 HB3 SER 8 2HB SER 8 -9.948 -11.607 3.130
34 HG SER 8 HG SER 8 -8.498 -13.595 3.863
35 H GLY 9 H GLY 9 -8.149 -10.311 5.783
36 HA2 GLY 9 1HA GLY 9 -10.246 -8.246 6.036
37 HA3 GLY 9 2HA GLY 9 -8.753 -8.252 6.962
38 H GLU 10 H GLU 10 -10.230 -6.612 4.648
39 HA GLU 10 HA GLU 10 -7.719 -5.678 3.515
40 HB2 GLU 10 1HB GLU 10 -8.855 -7.514 2.038
41 HB3 GLU 10 2HB GLU 10 -9.960 -6.219 1.602
42 HG2 GLU 10 1HG GLU 10 -7.856 -4.877 1.029
43 HG3 GLU 10 2HG GLU 10 -7.020 -6.428 1.083
44 H LYS 11 H LYS 11 -7.754 -3.540 2.893
45 HA LYS 11 HA LYS 11 -10.311 -2.112 3.168
46 HB2 LYS 11 1HB LYS 11 -7.668 -1.451 4.454
47 HB3 LYS 11 2HB LYS 11 -8.914 -0.233 4.214
48 HG2 LYS 11 1HG LYS 11 -10.471 -1.619 5.540
49 HG3 LYS 11 2HG LYS 11 -9.152 -2.752 5.846
50 HD2 LYS 11 1HD LYS 11 -7.940 -1.153 7.094
51 HD3 LYS 11 2HD LYS 11 -8.960 0.172 6.529
52 HE2 LYS 11 1HE LYS 11 -9.619 -0.292 8.759
53 HE3 LYS 11 2HE LYS 11 -10.878 -0.948 7.714
54 HZ1 LYS 11 3HZ LYS 11 -10.597 -2.846 8.804
55 HZ2 LYS 11 1HZ LYS 11 -9.195 -2.297 9.576
56 HZ3 LYS 11 2HZ LYS 11 -9.095 -3.001 8.042
57 HA PRO 12 HA PRO 12 -9.285 -0.071 -0.580
58 HB2 PRO 12 1HB PRO 12 -10.414 2.367 -0.190
59 HB3 PRO 12 2HB PRO 12 -11.363 0.905 -0.483
60 HG2 PRO 12 1HG PRO 12 -10.743 2.273 2.107
61 HG3 PRO 12 2HG PRO 12 -12.277 1.581 1.546
62 HD2 PRO 12 1HD PRO 12 -10.639 0.288 3.272
63 HD3 PRO 12 2HD PRO 12 -11.650 -0.569 2.090
64 H PHE 13 H PHE 13 -8.621 1.768 2.379
65 HA PHE 13 HA PHE 13 -6.586 3.344 1.023
66 HB2 PHE 13 1HB PHE 13 -7.185 3.438 3.970
67 HB3 PHE 13 2HB PHE 13 -6.531 4.708 2.941
68 HD1 PHE 13 HD1 PHE 13 -8.084 5.636 1.112
69 HD2 PHE 13 HD2 PHE 13 -9.447 3.382 4.455
70 HE1 PHE 13 HE1 PHE 13 -10.346 6.554 0.804
71 HE2 PHE 13 HE2 PHE 13 -11.711 4.295 4.152
72 HZ PHE 13 HZ PHE 13 -12.163 5.883 2.325
73 H GLN 14 H GLN 14 -4.776 2.207 0.632
74 HA GLN 14 HA GLN 14 -3.489 0.897 2.932
75 HB2 GLN 14 1HB GLN 14 -3.649 -0.076 0.080
76 HB3 GLN 14 2HB GLN 14 -2.495 -0.711 1.245
77 HG2 GLN 14 1HG GLN 14 -4.173 -1.663 2.563
78 HG3 GLN 14 2HG GLN 14 -5.438 -0.701 1.801
79 HE21 GLN 14 1HE2 GLN 14 -2.885 -2.954 0.784
80 HE22 GLN 14 2HE2 GLN 14 -3.889 -3.881 -0.272
81 H CYS 15 H CYS 15 -1.261 1.100 3.095
82 HA CYS 15 HA CYS 15 -0.136 3.468 2.054
83 HB2 CYS 15 1HB CYS 15 0.460 2.050 4.189
84 HB3 CYS 15 2HB CYS 15 1.587 1.253 3.096
85 H GLU 16 H GLU 16 2.218 3.275 1.067
86 HA GLU 16 HA GLU 16 2.012 1.496 -1.273
87 HB2 GLU 16 1HB GLU 16 1.869 4.143 -1.451
88 HB3 GLU 16 2HB GLU 16 3.620 4.002 -1.397
89 HG2 GLU 16 1HG GLU 16 2.153 2.263 -3.296
90 HG3 GLU 16 2HG GLU 16 2.271 3.982 -3.669
91 H GLU 17 H GLU 17 3.980 2.654 1.321
92 HA GLU 17 HA GLU 17 6.363 1.331 0.266
93 HB2 GLU 17 1HB GLU 17 5.937 3.070 2.699
94 HB3 GLU 17 2HB GLU 17 7.471 2.315 2.290
95 HG2 GLU 17 1HG GLU 17 7.683 3.605 0.316
96 HG3 GLU 17 2HG GLU 17 6.022 4.185 0.439
97 H CYS 18 H CYS 18 3.838 0.898 2.579
98 HA CYS 18 HA CYS 18 5.078 -1.633 3.416
99 HB2 CYS 18 1HB CYS 18 4.345 -1.315 5.695
100 HB3 CYS 18 2HB CYS 18 5.308 0.078 5.215
101 H GLY 19 H GLY 19 2.532 -0.130 1.953
102 HA2 GLY 19 1HA GLY 19 0.318 -0.683 1.566
103 HA3 GLY 19 2HA GLY 19 1.010 -2.286 1.372
104 H LYS 20 H LYS 20 0.169 -0.109 4.071
105 HA LYS 20 HA LYS 20 -0.691 -2.407 5.639
106 HB2 LYS 20 1HB LYS 20 0.040 0.403 6.202
107 HB3 LYS 20 2HB LYS 20 -1.213 -0.279 7.230
108 HG2 LYS 20 1HG LYS 20 0.531 -2.268 7.394
109 HG3 LYS 20 2HG LYS 20 1.662 -0.964 7.027
110 HD2 LYS 20 1HD LYS 20 1.586 -0.941 9.347
111 HD3 LYS 20 2HD LYS 20 0.426 0.315 8.907
112 HE2 LYS 20 1HE LYS 20 -1.390 -1.366 9.130
113 HE3 LYS 20 2HE LYS 20 -0.194 -2.528 9.702
114 HZ1 LYS 20 3HZ LYS 20 -1.234 -1.567 11.588
115 HZ2 LYS 20 1HZ LYS 20 -1.003 0.007 11.012
116 HZ3 LYS 20 2HZ LYS 20 0.325 -0.916 11.507
117 H ARG 21 H ARG 21 -2.707 -1.566 7.156
118 HA ARG 21 HA ARG 21 -4.846 -0.898 5.241
119 HB2 ARG 21 1HB ARG 21 -4.958 -2.743 7.633
120 HB3 ARG 21 2HB ARG 21 -6.345 -2.287 6.653
121 HG2 ARG 21 1HG ARG 21 -5.681 -3.567 4.868
122 HG3 ARG 21 2HG ARG 21 -3.978 -3.514 5.328
123 HD2 ARG 21 1HD ARG 21 -6.048 -4.943 6.974
124 HD3 ARG 21 2HD ARG 21 -5.198 -5.727 5.643
125 HE ARG 21 HE ARG 21 -3.170 -4.766 7.109
126 HH11 ARG 21 1HH1 ARG 21 -6.006 -6.591 7.976
127 HH12 ARG 21 2HH1 ARG 21 -5.244 -7.387 9.313
128 HH21 ARG 21 1HH2 ARG 21 -2.157 -5.808 8.867
129 HH22 ARG 21 2HH2 ARG 21 -3.055 -6.941 9.820
130 H PHE 22 H PHE 22 -6.278 0.664 5.784
131 HA PHE 22 HA PHE 22 -6.342 1.674 8.521
132 HB2 PHE 22 1HB PHE 22 -5.855 3.519 6.176
133 HB3 PHE 22 2HB PHE 22 -5.934 3.964 7.877
134 HD1 PHE 22 HD2 PHE 22 -3.951 2.113 5.369
135 HD2 PHE 22 HD1 PHE 22 -4.037 3.839 9.259
136 HE1 PHE 22 HE2 PHE 22 -1.519 1.794 5.561
137 HE2 PHE 22 HE1 PHE 22 -1.605 3.523 9.457
138 HZ PHE 22 HZ PHE 22 -0.343 2.498 7.607
139 H THR 23 H THR 23 -8.370 2.029 9.122
140 HA THR 23 HA THR 23 -10.577 1.590 7.482
141 HB THR 23 HB THR 23 -10.607 3.276 9.988
142 HG1 THR 23 HG1 THR 23 -11.079 0.502 9.995
143 HG21 THR 23 3HG2 THR 23 -12.793 1.415 9.532
144 HG22 THR 23 1HG2 THR 23 -12.640 2.599 8.235
145 HG23 THR 23 2HG2 THR 23 -12.838 3.139 9.902
146 H GLN 24 H GLN 24 -9.261 4.687 8.655
147 HA GLN 24 HA GLN 24 -10.926 6.086 6.687
148 HB2 GLN 24 1HB GLN 24 -9.438 7.050 9.128
149 HB3 GLN 24 2HB GLN 24 -10.185 8.141 7.970
150 HG2 GLN 24 1HG GLN 24 -11.857 5.985 9.135
151 HG3 GLN 24 2HG GLN 24 -11.429 7.357 10.157
152 HE21 GLN 24 1HE2 GLN 24 -13.011 6.393 7.183
153 HE22 GLN 24 2HE2 GLN 24 -14.008 7.796 7.035
154 H ASN 25 H ASN 25 -9.983 7.792 5.403
155 HA ASN 25 HA ASN 25 -7.511 7.000 4.219
156 HB2 ASN 25 1HB ASN 25 -9.399 8.018 2.948
157 HB3 ASN 25 2HB ASN 25 -9.082 9.546 3.765
158 HD21 ASN 25 1HD2 ASN 25 -8.548 10.681 1.954
159 HD22 ASN 25 2HD2 ASN 25 -7.122 10.378 1.026
160 H SER 26 H SER 26 -8.527 9.741 6.224
161 HA SER 26 HA SER 26 -6.243 11.273 6.191
162 HB2 SER 26 1HB SER 26 -8.226 12.048 7.329
163 HB3 SER 26 2HB SER 26 -8.129 10.729 8.494
164 HG SER 26 HG SER 26 -6.043 11.663 9.096
165 H HIS 27 H HIS 27 -6.962 8.515 8.312
166 HA HIS 27 HA HIS 27 -4.704 8.549 9.902
167 HB2 HIS 27 1HB HIS 27 -6.565 6.420 8.973
168 HB3 HIS 27 2HB HIS 27 -5.057 5.908 9.725
169 HD1 HIS 27 HD1 HIS 27 -5.886 5.115 11.948
170 HD2 HIS 27 HD2 HIS 27 -7.288 8.907 10.992
171 HE1 HIS 27 HE1 HIS 27 -7.041 5.948 14.022
172 H LEU 28 H LEU 28 -5.100 7.288 6.637
173 HA LEU 28 HA LEU 28 -2.559 6.030 6.484
174 HB2 LEU 28 1HB LEU 28 -4.182 5.294 4.957
175 HB3 LEU 28 2HB LEU 28 -4.561 6.936 4.442
176 HG LEU 28 HG LEU 28 -2.304 7.035 3.370
177 HD11 LEU 28 1HD1 LEU 28 -0.821 5.364 3.476
178 HD12 LEU 28 2HD1 LEU 28 -2.059 4.123 3.285
179 HD13 LEU 28 3HD1 LEU 28 -1.753 4.825 4.873
180 HD21 LEU 28 3HD2 LEU 28 -3.144 6.237 1.424
181 HD22 LEU 28 1HD2 LEU 28 -4.625 6.149 2.378
182 HD23 LEU 28 2HD2 LEU 28 -3.644 4.703 2.138
183 H HIS 29 H HIS 29 -3.731 9.014 4.913
184 HA HIS 29 HA HIS 29 -1.451 9.976 3.823
185 HB2 HIS 29 1HB HIS 29 -3.691 11.410 5.222
186 HB3 HIS 29 2HB HIS 29 -2.343 12.308 4.530
187 HD1 HIS 29 HD1 HIS 29 -2.458 12.800 2.084
188 HD2 HIS 29 HD2 HIS 29 -5.172 9.873 3.237
189 HE1 HIS 29 HE1 HIS 29 -3.879 12.363 0.055
190 H SER 30 H SER 30 -2.414 10.428 7.216
191 HA SER 30 HA SER 30 -0.040 11.822 7.938
192 HB2 SER 30 1HB SER 30 -2.137 12.050 9.211
193 HB3 SER 30 2HB SER 30 -2.023 10.360 9.700
194 HG SER 30 HG SER 30 -1.172 11.614 11.334
195 H HIS 31 H HIS 31 -1.074 8.453 8.145
196 HA HIS 31 HA HIS 31 1.041 7.455 9.675
197 HB2 HIS 31 1HB HIS 31 -0.611 5.881 9.443
198 HB3 HIS 31 2HB HIS 31 -0.915 6.291 7.757
199 HD1 HIS 31 HD1 HIS 31 1.094 4.048 9.927
200 HD2 HIS 31 HD2 HIS 31 0.774 4.986 5.893
201 HE1 HIS 31 HE1 HIS 31 2.352 2.239 8.715
202 H GLN 32 H GLN 32 0.851 8.303 6.299
203 HA GLN 32 HA GLN 32 3.045 6.904 5.298
204 HB2 GLN 32 1HB GLN 32 1.963 9.613 4.511
205 HB3 GLN 32 2HB GLN 32 3.154 8.715 3.580
206 HG2 GLN 32 1HG GLN 32 1.533 6.887 3.308
207 HG3 GLN 32 2HG GLN 32 0.339 7.840 4.188
208 HE21 GLN 32 1HE2 GLN 32 -0.745 7.320 2.044
209 HE22 GLN 32 2HE2 GLN 32 -0.569 8.501 0.796
210 H ARG 33 H ARG 33 2.924 9.520 7.497
211 HA ARG 33 HA ARG 33 5.437 10.706 6.979
212 HB2 ARG 33 1HB ARG 33 3.805 10.586 9.520
213 HB3 ARG 33 2HB ARG 33 5.227 11.597 9.300
214 HG2 ARG 33 1HG ARG 33 4.069 12.735 7.429
215 HG3 ARG 33 2HG ARG 33 2.628 11.785 7.794
216 HD2 ARG 33 1HD ARG 33 2.159 13.665 8.999
217 HD3 ARG 33 2HD ARG 33 3.043 12.748 10.219
218 HE ARG 33 HE ARG 33 4.784 14.254 10.064
219 HH11 ARG 33 1HH1 ARG 33 2.463 14.836 7.535
220 HH12 ARG 33 2HH1 ARG 33 3.152 16.358 7.074
221 HH21 ARG 33 1HH2 ARG 33 5.699 16.256 9.467
222 HH22 ARG 33 2HH2 ARG 33 4.993 17.164 8.174
223 H VAL 34 H VAL 34 4.524 7.762 8.491
224 HA VAL 34 HA VAL 34 6.730 7.398 10.217
225 HB VAL 34 HB VAL 34 6.141 5.045 10.247
226 HG11 VAL 34 1HG1 VAL 34 4.176 7.175 10.597
227 HG12 VAL 34 2HG1 VAL 34 3.458 5.577 10.390
228 HG13 VAL 34 3HG1 VAL 34 4.627 5.859 11.680
229 HG21 VAL 34 3HG2 VAL 34 3.928 4.709 8.670
230 HG22 VAL 34 1HG2 VAL 34 4.974 5.697 7.649
231 HG23 VAL 34 2HG2 VAL 34 5.555 4.154 8.276
232 H HIS 35 H HIS 35 6.620 7.587 6.888
233 HA HIS 35 HA HIS 35 9.091 6.004 6.617
234 HB2 HIS 35 1HB HIS 35 7.211 6.704 4.363
235 HB3 HIS 35 2HB HIS 35 8.524 5.530 4.349
236 HD1 HIS 35 HD1 HIS 35 8.103 3.414 6.044
237 HD2 HIS 35 HD2 HIS 35 4.781 5.624 4.885
238 HE1 HIS 35 HE1 HIS 35 6.119 1.942 6.513
239 H THR 36 H THR 36 8.178 9.028 7.069
240 HA THR 36 HA THR 36 8.921 10.755 5.178
241 HB THR 36 HB THR 36 10.234 12.022 7.055
242 HG1 THR 36 HG1 THR 36 8.919 9.974 8.544
243 HG21 THR 36 3HG2 THR 36 7.961 12.570 6.297
244 HG22 THR 36 1HG2 THR 36 8.128 12.759 8.042
245 HG23 THR 36 2HG2 THR 36 7.309 11.344 7.382
246 H GLY 37 H GLY 37 10.380 10.107 3.640
247 HA2 GLY 37 1HA GLY 37 12.637 10.511 2.918
248 HA3 GLY 37 2HA GLY 37 13.188 10.050 4.522
249 H GLU 38 H GLU 38 12.762 9.032 1.354
250 HA GLU 38 HA GLU 38 12.678 6.194 2.045
251 HB2 GLU 38 1HB GLU 38 12.420 5.810 -0.357
252 HB3 GLU 38 2HB GLU 38 11.225 6.958 0.229
253 HG2 GLU 38 1HG GLU 38 12.163 8.721 -0.888
254 HG3 GLU 38 2HG GLU 38 13.770 7.997 -0.905
255 H LYS 39 H LYS 39 14.214 4.718 0.986
256 HA LYS 39 HA LYS 39 16.845 5.954 0.525
257 HB2 LYS 39 1HB LYS 39 17.871 4.025 1.716
258 HB3 LYS 39 2HB LYS 39 16.898 5.053 2.759
259 HG2 LYS 39 1HG LYS 39 15.670 2.637 1.513
260 HG3 LYS 39 2HG LYS 39 16.714 2.466 2.927
261 HD2 LYS 39 1HD LYS 39 15.253 3.574 4.308
262 HD3 LYS 39 2HD LYS 39 14.550 4.514 2.990
263 HE2 LYS 39 1HE LYS 39 13.554 2.347 2.151
264 HE3 LYS 39 2HE LYS 39 14.054 1.625 3.680
265 HZ1 LYS 39 3HZ LYS 39 11.746 3.102 3.151
266 HZ2 LYS 39 1HZ LYS 39 12.689 4.016 4.217
267 HZ3 LYS 39 2HZ LYS 39 12.242 2.437 4.625
268 HA PRO 40 HA PRO 40 16.744 3.561 -3.188
269 HB2 PRO 40 1HB PRO 40 19.363 3.815 -3.856
270 HB3 PRO 40 2HB PRO 40 18.192 5.126 -4.044
271 HG2 PRO 40 1HG PRO 40 20.187 4.667 -1.859
272 HG3 PRO 40 2HG PRO 40 19.762 6.176 -2.688
273 HD2 PRO 40 1HD PRO 40 18.796 5.536 -0.241
274 HD3 PRO 40 2HD PRO 40 17.866 6.488 -1.415
275 H SER 41 H SER 41 19.603 3.031 -1.113
276 HA SER 41 HA SER 41 19.152 0.139 -1.357
277 HB2 SER 41 1HB SER 41 21.811 1.547 -1.692
278 HB3 SER 41 2HB SER 41 21.609 -0.201 -1.564
279 HG SER 41 HG SER 41 20.122 0.102 -3.436
280 H GLY 42 H GLY 42 18.402 1.818 0.783
281 HA2 GLY 42 1HA GLY 42 18.679 2.135 3.054
282 HA3 GLY 42 2HA GLY 42 19.127 0.437 3.006
283 HA PRO 43 HA PRO 43 22.727 2.682 4.781
284 HB2 PRO 43 1HB PRO 43 23.320 0.741 6.584
285 HB3 PRO 43 2HB PRO 43 22.126 2.007 6.893
286 HG2 PRO 43 1HG PRO 43 21.703 -0.822 6.011
287 HG3 PRO 43 2HG PRO 43 20.809 0.118 7.220
288 HD2 PRO 43 1HD PRO 43 19.886 -0.271 4.704
289 HD3 PRO 43 2HD PRO 43 19.551 1.208 5.625
290 H SER 44 H SER 44 23.928 2.395 2.869
291 HA SER 44 HA SER 44 25.641 0.017 2.899
292 HB2 SER 44 1HB SER 44 25.401 -0.402 0.576
293 HB3 SER 44 2HB SER 44 23.758 -0.187 1.180
294 HG SER 44 HG SER 44 23.797 1.108 -0.544
295 H SER 45 H SER 45 27.424 0.401 1.085
296 HA SER 45 HA SER 45 28.463 3.118 1.547
297 HB2 SER 45 1HB SER 45 29.798 1.332 2.604
298 HB3 SER 45 2HB SER 45 30.013 0.567 1.030
299 HG SER 45 HG SER 45 31.739 1.790 1.013
300 H GLY 46 H GLY 46 28.796 0.447 -0.803
301 HA2 GLY 46 1HA GLY 46 29.645 2.162 -2.910
302 HA3 GLY 46 2HA GLY 46 29.138 0.488 -3.078
Start of MODEL 17
1 H1 GLY 1 H GLY 1 -15.129 -23.421 -9.406
2 HA2 GLY 1 1HA GLY 1 -16.207 -21.507 -8.740
3 HA3 GLY 1 2HA GLY 1 -17.276 -22.559 -7.823
4 H SER 2 H SER 2 -14.728 -20.294 -7.682
5 HA SER 2 HA SER 2 -13.776 -20.922 -5.066
6 HB2 SER 2 1HB SER 2 -13.539 -18.444 -6.780
7 HB3 SER 2 2HB SER 2 -12.781 -18.597 -5.195
8 HG SER 2 HG SER 2 -11.822 -19.410 -7.490
9 H SER 3 H SER 3 -15.480 -21.057 -3.642
10 HA SER 3 HA SER 3 -17.098 -18.630 -3.262
11 HB2 SER 3 1HB SER 3 -17.594 -21.503 -2.461
12 HB3 SER 3 2HB SER 3 -18.601 -20.158 -1.925
13 HG SER 3 HG SER 3 -18.093 -20.465 -4.663
14 H GLY 4 H GLY 4 -15.462 -17.522 -2.089
15 HA2 GLY 4 1HA GLY 4 -15.554 -18.058 0.737
16 HA3 GLY 4 2HA GLY 4 -13.968 -18.347 0.036
17 H SER 5 H SER 5 -16.271 -15.977 1.029
18 HA SER 5 HA SER 5 -14.880 -13.733 -0.111
19 HB2 SER 5 1HB SER 5 -16.458 -12.388 1.289
20 HB3 SER 5 2HB SER 5 -17.266 -13.547 0.234
21 HG SER 5 HG SER 5 -17.553 -13.319 2.816
22 H SER 6 H SER 6 -13.973 -11.985 1.202
23 HA SER 6 HA SER 6 -12.616 -13.032 3.600
24 HB2 SER 6 1HB SER 6 -11.638 -11.388 1.311
25 HB3 SER 6 2HB SER 6 -10.951 -11.074 2.905
26 HG SER 6 HG SER 6 -10.651 -13.260 1.243
27 H GLY 7 H GLY 7 -13.506 -12.189 5.367
28 HA2 GLY 7 1HA GLY 7 -14.810 -9.604 5.302
29 HA3 GLY 7 2HA GLY 7 -14.729 -10.700 6.673
30 H SER 8 H SER 8 -12.196 -11.016 7.279
31 HA SER 8 HA SER 8 -11.445 -8.491 8.369
32 HB2 SER 8 1HB SER 8 -11.071 -10.754 9.451
33 HB3 SER 8 2HB SER 8 -9.752 -10.994 8.305
34 HG SER 8 HG SER 8 -9.982 -8.999 10.302
35 H GLY 9 H GLY 9 -10.348 -6.940 7.379
36 HA2 GLY 9 1HA GLY 9 -8.384 -6.126 6.307
37 HA3 GLY 9 2HA GLY 9 -8.209 -7.683 5.511
38 H GLU 10 H GLU 10 -7.961 -6.650 3.491
39 HA GLU 10 HA GLU 10 -8.725 -6.017 1.440
40 HB2 GLU 10 1HB GLU 10 -10.715 -7.539 2.302
41 HB3 GLU 10 2HB GLU 10 -11.569 -6.003 2.344
42 HG2 GLU 10 1HG GLU 10 -10.081 -6.774 -0.117
43 HG3 GLU 10 2HG GLU 10 -11.644 -7.515 0.221
44 H LYS 11 H LYS 11 -8.178 -4.124 3.612
45 HA LYS 11 HA LYS 11 -10.029 -1.979 3.520
46 HB2 LYS 11 1HB LYS 11 -7.995 -2.541 5.150
47 HB3 LYS 11 2HB LYS 11 -7.148 -1.449 4.062
48 HG2 LYS 11 1HG LYS 11 -7.941 -0.161 5.886
49 HG3 LYS 11 2HG LYS 11 -8.947 0.236 4.491
50 HD2 LYS 11 1HD LYS 11 -10.539 -0.037 6.135
51 HD3 LYS 11 2HD LYS 11 -10.488 -1.655 5.432
52 HE2 LYS 11 1HE LYS 11 -8.665 -2.073 7.255
53 HE3 LYS 11 2HE LYS 11 -9.405 -0.679 8.040
54 HZ1 LYS 11 3HZ LYS 11 -10.240 -3.218 8.322
55 HZ2 LYS 11 1HZ LYS 11 -11.287 -2.660 7.116
56 HZ3 LYS 11 2HZ LYS 11 -11.203 -1.857 8.602
57 HA PRO 12 HA PRO 12 -9.026 -0.423 -0.511
58 HB2 PRO 12 1HB PRO 12 -10.469 1.870 -0.330
59 HB3 PRO 12 2HB PRO 12 -11.209 0.288 -0.603
60 HG2 PRO 12 1HG PRO 12 -10.946 1.843 1.942
61 HG3 PRO 12 2HG PRO 12 -12.340 0.938 1.322
62 HD2 PRO 12 1HD PRO 12 -10.683 -0.057 3.219
63 HD3 PRO 12 2HD PRO 12 -11.495 -1.089 2.024
64 H PHE 13 H PHE 13 -8.510 1.298 2.485
65 HA PHE 13 HA PHE 13 -6.716 3.196 1.155
66 HB2 PHE 13 1HB PHE 13 -7.683 3.160 4.022
67 HB3 PHE 13 2HB PHE 13 -6.750 4.442 3.257
68 HD1 PHE 13 HD1 PHE 13 -7.784 5.821 1.475
69 HD2 PHE 13 HD2 PHE 13 -10.028 3.017 3.759
70 HE1 PHE 13 HE1 PHE 13 -9.870 6.922 0.772
71 HE2 PHE 13 HE2 PHE 13 -12.116 4.113 3.059
72 HZ PHE 13 HZ PHE 13 -12.039 6.067 1.563
73 H GLN 14 H GLN 14 -5.006 1.747 0.741
74 HA GLN 14 HA GLN 14 -3.568 0.821 3.139
75 HB2 GLN 14 1HB GLN 14 -3.133 -0.257 0.364
76 HB3 GLN 14 2HB GLN 14 -2.684 -0.983 1.902
77 HG2 GLN 14 1HG GLN 14 -5.143 -1.192 2.393
78 HG3 GLN 14 2HG GLN 14 -5.431 -0.730 0.716
79 HE21 GLN 14 1HE2 GLN 14 -3.118 -2.880 2.339
80 HE22 GLN 14 2HE2 GLN 14 -3.462 -4.265 1.365
81 H CYS 15 H CYS 15 -1.280 1.026 3.178
82 HA CYS 15 HA CYS 15 -0.327 3.494 2.186
83 HB2 CYS 15 1HB CYS 15 0.436 1.993 4.229
84 HB3 CYS 15 2HB CYS 15 1.577 1.360 3.047
85 H GLU 16 H GLU 16 2.033 3.398 1.127
86 HA GLU 16 HA GLU 16 1.749 1.774 -1.315
87 HB2 GLU 16 1HB GLU 16 1.655 4.429 -1.296
88 HB3 GLU 16 2HB GLU 16 3.404 4.252 -1.303
89 HG2 GLU 16 1HG GLU 16 3.397 3.157 -3.375
90 HG3 GLU 16 2HG GLU 16 1.662 2.852 -3.300
91 H GLU 17 H GLU 17 3.753 2.602 1.347
92 HA GLU 17 HA GLU 17 6.069 1.271 0.125
93 HB2 GLU 17 1HB GLU 17 5.882 2.971 2.618
94 HB3 GLU 17 2HB GLU 17 7.355 2.221 2.018
95 HG2 GLU 17 1HG GLU 17 5.726 4.238 0.492
96 HG3 GLU 17 2HG GLU 17 7.150 4.621 1.458
97 H CYS 18 H CYS 18 3.610 0.906 2.497
98 HA CYS 18 HA CYS 18 4.827 -1.635 3.342
99 HB2 CYS 18 1HB CYS 18 4.115 -1.296 5.617
100 HB3 CYS 18 2HB CYS 18 5.056 0.107 5.122
101 H GLY 19 H GLY 19 2.287 -0.123 1.871
102 HA2 GLY 19 1HA GLY 19 0.131 -0.726 1.348
103 HA3 GLY 19 2HA GLY 19 0.755 -2.366 1.433
104 H LYS 20 H LYS 20 0.736 -0.276 4.222
105 HA LYS 20 HA LYS 20 -0.491 -2.080 5.918
106 HB2 LYS 20 1HB LYS 20 0.006 0.846 5.976
107 HB3 LYS 20 2HB LYS 20 -1.175 0.222 7.121
108 HG2 LYS 20 1HG LYS 20 1.437 -1.171 6.927
109 HG3 LYS 20 2HG LYS 20 1.392 0.409 7.712
110 HD2 LYS 20 1HD LYS 20 -0.041 -0.333 9.393
111 HD3 LYS 20 2HD LYS 20 -0.574 -1.729 8.454
112 HE2 LYS 20 1HE LYS 20 1.985 -2.369 8.633
113 HE3 LYS 20 2HE LYS 20 1.900 -1.341 10.062
114 HZ1 LYS 20 3HZ LYS 20 1.239 -3.969 9.968
115 HZ2 LYS 20 1HZ LYS 20 -0.271 -3.210 9.883
116 HZ3 LYS 20 2HZ LYS 20 0.768 -2.884 11.177
117 H ARG 21 H ARG 21 -2.605 -1.154 7.206
118 HA ARG 21 HA ARG 21 -4.704 -0.762 5.180
119 HB2 ARG 21 1HB ARG 21 -4.715 -2.686 7.509
120 HB3 ARG 21 2HB ARG 21 -6.156 -2.255 6.598
121 HG2 ARG 21 1HG ARG 21 -5.533 -3.456 4.769
122 HG3 ARG 21 2HG ARG 21 -3.809 -3.247 5.082
123 HD2 ARG 21 1HD ARG 21 -5.476 -4.870 6.956
124 HD3 ARG 21 2HD ARG 21 -4.933 -5.575 5.433
125 HE ARG 21 HE ARG 21 -2.833 -4.345 6.970
126 HH11 ARG 21 1HH1 ARG 21 -4.665 -7.253 6.418
127 HH12 ARG 21 2HH1 ARG 21 -3.437 -8.302 7.047
128 HH21 ARG 21 1HH2 ARG 21 -1.209 -5.714 7.800
129 HH22 ARG 21 2HH2 ARG 21 -1.472 -7.425 7.834
130 H PHE 22 H PHE 22 -6.265 0.687 5.672
131 HA PHE 22 HA PHE 22 -6.547 1.641 8.411
132 HB2 PHE 22 1HB PHE 22 -5.961 3.519 6.113
133 HB3 PHE 22 2HB PHE 22 -6.301 3.988 7.775
134 HD1 PHE 22 HD1 PHE 22 -4.669 3.454 9.563
135 HD2 PHE 22 HD2 PHE 22 -3.802 2.830 5.443
136 HE1 PHE 22 HE1 PHE 22 -2.269 3.328 10.090
137 HE2 PHE 22 HE2 PHE 22 -1.401 2.703 5.964
138 HZ PHE 22 HZ PHE 22 -0.632 2.951 8.290
139 H THR 23 H THR 23 -8.572 2.368 8.895
140 HA THR 23 HA THR 23 -10.651 1.764 6.997
141 HB THR 23 HB THR 23 -12.170 2.564 8.879
142 HG1 THR 23 HG1 THR 23 -10.049 3.634 9.812
143 HG21 THR 23 3HG2 THR 23 -10.367 0.443 9.942
144 HG22 THR 23 1HG2 THR 23 -11.183 0.160 8.405
145 HG23 THR 23 2HG2 THR 23 -12.127 0.488 9.859
146 H GLN 24 H GLN 24 -8.823 4.500 7.745
147 HA GLN 24 HA GLN 24 -10.621 6.169 6.165
148 HB2 GLN 24 1HB GLN 24 -9.872 6.635 9.004
149 HB3 GLN 24 2HB GLN 24 -9.906 8.034 7.940
150 HG2 GLN 24 1HG GLN 24 -12.043 8.080 8.697
151 HG3 GLN 24 2HG GLN 24 -12.257 7.052 7.281
152 HE21 GLN 24 1HE2 GLN 24 -13.623 5.485 7.707
153 HE22 GLN 24 2HE2 GLN 24 -13.704 4.567 9.168
154 H ASN 25 H ASN 25 -9.533 7.251 4.659
155 HA ASN 25 HA ASN 25 -6.913 6.959 4.037
156 HB2 ASN 25 1HB ASN 25 -7.154 8.690 2.502
157 HB3 ASN 25 2HB ASN 25 -8.827 8.219 2.788
158 HD21 ASN 25 1HD2 ASN 25 -9.897 9.442 4.615
159 HD22 ASN 25 2HD2 ASN 25 -9.602 11.144 4.676
160 H SER 26 H SER 26 -8.224 9.703 5.898
161 HA SER 26 HA SER 26 -6.087 11.218 6.422
162 HB2 SER 26 1HB SER 26 -8.454 11.289 7.479
163 HB3 SER 26 2HB SER 26 -7.743 10.316 8.767
164 HG SER 26 HG SER 26 -6.125 12.374 8.216
165 H HIS 27 H HIS 27 -6.842 8.366 8.431
166 HA HIS 27 HA HIS 27 -4.595 8.335 10.010
167 HB2 HIS 27 1HB HIS 27 -6.457 6.236 9.019
168 HB3 HIS 27 2HB HIS 27 -4.955 5.697 9.764
169 HD1 HIS 27 HD1 HIS 27 -8.228 5.984 10.720
170 HD2 HIS 27 HD2 HIS 27 -4.735 7.535 12.347
171 HE1 HIS 27 HE1 HIS 27 -8.770 6.481 13.125
172 H LEU 28 H LEU 28 -4.970 7.073 6.734
173 HA LEU 28 HA LEU 28 -2.384 5.887 6.605
174 HB2 LEU 28 1HB LEU 28 -3.898 4.999 5.092
175 HB3 LEU 28 2HB LEU 28 -4.499 6.584 4.612
176 HG LEU 28 HG LEU 28 -2.349 6.972 3.419
177 HD11 LEU 28 1HD1 LEU 28 -0.694 5.402 3.247
178 HD12 LEU 28 2HD1 LEU 28 -1.780 4.055 3.582
179 HD13 LEU 28 3HD1 LEU 28 -1.243 5.101 4.895
180 HD21 LEU 28 3HD2 LEU 28 -2.830 5.243 1.612
181 HD22 LEU 28 1HD2 LEU 28 -4.153 6.316 2.068
182 HD23 LEU 28 2HD2 LEU 28 -4.114 4.659 2.670
183 H HIS 29 H HIS 29 -3.733 8.911 5.298
184 HA HIS 29 HA HIS 29 -1.506 9.906 4.023
185 HB2 HIS 29 1HB HIS 29 -3.840 11.174 5.386
186 HB3 HIS 29 2HB HIS 29 -2.502 12.206 4.889
187 HD1 HIS 29 HD1 HIS 29 -4.063 13.348 3.141
188 HD2 HIS 29 HD2 HIS 29 -3.433 9.291 2.507
189 HE1 HIS 29 HE1 HIS 29 -4.874 12.899 0.804
190 H SER 30 H SER 30 -2.411 10.373 7.434
191 HA SER 30 HA SER 30 -0.064 11.839 8.089
192 HB2 SER 30 1HB SER 30 -0.771 11.368 10.464
193 HB3 SER 30 2HB SER 30 -2.010 12.129 9.466
194 HG SER 30 HG SER 30 -3.081 10.492 10.374
195 H HIS 31 H HIS 31 -0.950 8.440 8.217
196 HA HIS 31 HA HIS 31 1.236 7.531 9.747
197 HB2 HIS 31 1HB HIS 31 -0.427 5.939 9.592
198 HB3 HIS 31 2HB HIS 31 -0.723 6.259 7.886
199 HD1 HIS 31 HD1 HIS 31 1.566 4.352 10.172
200 HD2 HIS 31 HD2 HIS 31 0.764 4.727 6.112
201 HE1 HIS 31 HE1 HIS 31 2.816 2.473 9.063
202 H GLN 32 H GLN 32 0.876 8.297 6.361
203 HA GLN 32 HA GLN 32 3.003 6.953 5.230
204 HB2 GLN 32 1HB GLN 32 1.680 9.570 4.641
205 HB3 GLN 32 2HB GLN 32 3.141 9.135 3.765
206 HG2 GLN 32 1HG GLN 32 0.852 7.223 3.918
207 HG3 GLN 32 2HG GLN 32 0.829 8.558 2.767
208 HE21 GLN 32 1HE2 GLN 32 0.697 6.381 1.495
209 HE22 GLN 32 2HE2 GLN 32 2.207 5.827 0.865
210 H ARG 33 H ARG 33 3.018 9.987 7.039
211 HA ARG 33 HA ARG 33 5.619 10.815 6.595
212 HB2 ARG 33 1HB ARG 33 3.855 11.056 9.027
213 HB3 ARG 33 2HB ARG 33 5.443 11.806 8.941
214 HG2 ARG 33 1HG ARG 33 4.789 13.290 7.274
215 HG3 ARG 33 2HG ARG 33 3.384 12.319 6.832
216 HD2 ARG 33 1HD ARG 33 2.492 12.823 9.155
217 HD3 ARG 33 2HD ARG 33 3.774 14.027 9.275
218 HE ARG 33 HE ARG 33 2.586 14.722 6.981
219 HH11 ARG 33 1HH1 ARG 33 1.286 13.963 10.120
220 HH12 ARG 33 2HH1 ARG 33 -0.087 15.005 9.948
221 HH21 ARG 33 1HH2 ARG 33 0.783 16.099 6.742
222 HH22 ARG 33 2HH2 ARG 33 -0.373 16.219 8.026
223 H VAL 34 H VAL 34 4.433 8.211 8.580
224 HA VAL 34 HA VAL 34 6.537 7.780 10.316
225 HB VAL 34 HB VAL 34 4.290 6.487 10.020
226 HG11 VAL 34 1HG1 VAL 34 4.387 4.432 8.847
227 HG12 VAL 34 2HG1 VAL 34 4.986 5.664 7.735
228 HG13 VAL 34 3HG1 VAL 34 6.120 4.595 8.562
229 HG21 VAL 34 3HG2 VAL 34 6.339 6.179 11.663
230 HG22 VAL 34 1HG2 VAL 34 5.011 5.019 11.615
231 HG23 VAL 34 2HG2 VAL 34 6.519 4.668 10.771
232 H HIS 35 H HIS 35 6.473 7.452 6.901
233 HA HIS 35 HA HIS 35 8.907 5.824 6.880
234 HB2 HIS 35 1HB HIS 35 7.240 6.765 4.539
235 HB3 HIS 35 2HB HIS 35 8.534 5.571 4.496
236 HD1 HIS 35 HD1 HIS 35 8.015 3.292 5.839
237 HD2 HIS 35 HD2 HIS 35 4.760 5.748 5.043
238 HE1 HIS 35 HE1 HIS 35 5.986 1.841 6.153
239 H THR 36 H THR 36 8.683 8.729 7.669
240 HA THR 36 HA THR 36 9.534 10.634 6.034
241 HB THR 36 HB THR 36 11.277 11.295 7.822
242 HG1 THR 36 HG1 THR 36 11.703 9.664 9.113
243 HG21 THR 36 3HG2 THR 36 9.628 12.399 8.920
244 HG22 THR 36 1HG2 THR 36 8.668 10.941 9.169
245 HG23 THR 36 2HG2 THR 36 8.636 11.763 7.608
246 H GLY 37 H GLY 37 11.105 11.028 4.599
247 HA2 GLY 37 1HA GLY 37 13.632 9.562 4.787
248 HA3 GLY 37 2HA GLY 37 12.684 9.359 3.321
249 H GLU 38 H GLU 38 11.787 11.815 2.730
250 HA GLU 38 HA GLU 38 14.253 13.201 2.037
251 HB2 GLU 38 1HB GLU 38 11.464 13.175 0.998
252 HB3 GLU 38 2HB GLU 38 12.401 14.645 0.770
253 HG2 GLU 38 1HG GLU 38 13.397 11.936 -0.056
254 HG3 GLU 38 2HG GLU 38 12.454 12.980 -1.118
255 H LYS 39 H LYS 39 14.161 15.647 2.035
256 HA LYS 39 HA LYS 39 12.549 16.822 4.145
257 HB2 LYS 39 1HB LYS 39 14.516 17.729 5.336
258 HB3 LYS 39 2HB LYS 39 14.437 15.974 5.409
259 HG2 LYS 39 1HG LYS 39 16.648 16.263 4.946
260 HG3 LYS 39 2HG LYS 39 16.003 16.137 3.307
261 HD2 LYS 39 1HD LYS 39 16.265 18.387 2.888
262 HD3 LYS 39 2HD LYS 39 16.182 18.823 4.596
263 HE2 LYS 39 1HE LYS 39 18.394 18.055 4.986
264 HE3 LYS 39 2HE LYS 39 18.471 17.270 3.410
265 HZ1 LYS 39 3HZ LYS 39 19.406 19.127 2.676
266 HZ2 LYS 39 1HZ LYS 39 19.071 19.961 4.110
267 HZ3 LYS 39 2HZ LYS 39 17.916 19.904 2.876
268 HA PRO 40 HA PRO 40 12.727 20.303 1.465
269 HB2 PRO 40 1HB PRO 40 12.162 22.282 3.235
270 HB3 PRO 40 2HB PRO 40 10.948 21.135 2.657
271 HG2 PRO 40 1HG PRO 40 12.494 21.126 5.221
272 HG3 PRO 40 2HG PRO 40 10.774 20.789 4.950
273 HD2 PRO 40 1HD PRO 40 12.609 18.825 5.286
274 HD3 PRO 40 2HD PRO 40 11.178 18.629 4.252
275 H SER 41 H SER 41 14.535 21.132 0.644
276 HA SER 41 HA SER 41 16.991 21.357 1.786
277 HB2 SER 41 1HB SER 41 17.561 22.981 0.045
278 HB3 SER 41 2HB SER 41 16.545 21.702 -0.620
279 HG SER 41 HG SER 41 15.743 23.651 -1.332
280 H GLY 42 H GLY 42 18.129 22.818 2.994
281 HA2 GLY 42 1HA GLY 42 16.535 24.710 4.520
282 HA3 GLY 42 2HA GLY 42 18.200 24.248 4.841
283 HA PRO 43 HA PRO 43 17.879 28.490 2.760
284 HB2 PRO 43 1HB PRO 43 18.679 29.981 4.883
285 HB3 PRO 43 2HB PRO 43 16.983 29.596 4.564
286 HG2 PRO 43 1HG PRO 43 18.893 28.302 6.472
287 HG3 PRO 43 2HG PRO 43 17.194 28.745 6.718
288 HD2 PRO 43 1HD PRO 43 17.973 26.212 6.166
289 HD3 PRO 43 2HD PRO 43 16.416 26.871 5.625
290 H SER 44 H SER 44 19.703 27.489 1.646
291 HA SER 44 HA SER 44 21.942 27.069 1.251
292 HB2 SER 44 1HB SER 44 23.234 29.236 1.260
293 HB3 SER 44 2HB SER 44 21.698 29.300 0.397
294 HG SER 44 HG SER 44 20.853 30.532 1.950
295 H SER 45 H SER 45 21.335 26.138 3.791
296 HA SER 45 HA SER 45 23.157 27.161 5.745
297 HB2 SER 45 1HB SER 45 20.940 25.757 6.033
298 HB3 SER 45 2HB SER 45 22.045 24.388 5.918
299 HG SER 45 HG SER 45 22.774 26.456 7.629
300 H GLY 46 H GLY 46 25.284 27.013 5.411
301 HA2 GLY 46 1HA GLY 46 27.356 26.106 5.023
302 HA3 GLY 46 2HA GLY 46 26.641 24.565 5.471
Start of MODEL 18
1 H1 GLY 1 H GLY 1 5.873 -17.160 12.068
2 HA2 GLY 1 1HA GLY 1 5.580 -14.948 11.467
3 HA3 GLY 1 2HA GLY 1 4.084 -15.408 10.667
4 H SER 2 H SER 2 2.979 -13.607 11.465
5 HA SER 2 HA SER 2 2.239 -13.833 14.301
6 HB2 SER 2 1HB SER 2 3.123 -11.381 12.807
7 HB3 SER 2 2HB SER 2 2.024 -11.240 14.179
8 HG SER 2 HG SER 2 3.786 -11.303 15.319
9 H SER 3 H SER 3 0.202 -14.540 14.196
10 HA SER 3 HA SER 3 -1.792 -12.865 12.940
11 HB2 SER 3 1HB SER 3 -2.803 -14.698 11.632
12 HB3 SER 3 2HB SER 3 -1.170 -14.332 11.077
13 HG SER 3 HG SER 3 -0.714 -16.124 12.794
14 H GLY 4 H GLY 4 -3.705 -12.933 14.004
15 HA2 GLY 4 1HA GLY 4 -4.197 -15.161 15.856
16 HA3 GLY 4 2HA GLY 4 -4.186 -13.520 16.486
17 H SER 5 H SER 5 -5.558 -15.001 13.549
18 HA SER 5 HA SER 5 -8.251 -14.650 14.448
19 HB2 SER 5 1HB SER 5 -8.962 -12.893 13.028
20 HB3 SER 5 2HB SER 5 -7.474 -12.305 13.769
21 HG SER 5 HG SER 5 -7.398 -11.913 11.562
22 H SER 6 H SER 6 -9.832 -15.299 12.787
23 HA SER 6 HA SER 6 -8.616 -17.069 10.767
24 HB2 SER 6 1HB SER 6 -9.721 -18.192 12.793
25 HB3 SER 6 2HB SER 6 -11.252 -17.628 12.123
26 HG SER 6 HG SER 6 -9.363 -19.322 10.848
27 H GLY 7 H GLY 7 -9.245 -14.449 10.150
28 HA2 GLY 7 1HA GLY 7 -11.438 -14.872 8.242
29 HA3 GLY 7 2HA GLY 7 -11.485 -13.456 9.282
30 H SER 8 H SER 8 -11.234 -11.854 7.815
31 HA SER 8 HA SER 8 -8.625 -11.689 6.507
32 HB2 SER 8 1HB SER 8 -11.281 -11.675 5.120
33 HB3 SER 8 2HB SER 8 -9.964 -10.695 4.475
34 HG SER 8 HG SER 8 -10.230 -13.005 3.749
35 H GLY 9 H GLY 9 -8.406 -9.425 5.450
36 HA2 GLY 9 1HA GLY 9 -9.920 -7.359 6.842
37 HA3 GLY 9 2HA GLY 9 -8.205 -7.450 7.216
38 H GLU 10 H GLU 10 -10.406 -7.275 4.421
39 HA GLU 10 HA GLU 10 -8.356 -6.093 2.770
40 HB2 GLU 10 1HB GLU 10 -11.170 -6.980 2.387
41 HB3 GLU 10 2HB GLU 10 -10.548 -5.762 1.283
42 HG2 GLU 10 1HG GLU 10 -9.534 -8.551 1.725
43 HG3 GLU 10 2HG GLU 10 -10.199 -7.850 0.251
44 H LYS 11 H LYS 11 -7.807 -4.033 2.965
45 HA LYS 11 HA LYS 11 -9.904 -2.074 3.638
46 HB2 LYS 11 1HB LYS 11 -7.827 -2.559 5.213
47 HB3 LYS 11 2HB LYS 11 -7.017 -1.468 4.096
48 HG2 LYS 11 1HG LYS 11 -7.783 -0.160 5.911
49 HG3 LYS 11 2HG LYS 11 -8.844 0.192 4.544
50 HD2 LYS 11 1HD LYS 11 -10.330 -0.071 6.315
51 HD3 LYS 11 2HD LYS 11 -10.354 -1.654 5.535
52 HE2 LYS 11 1HE LYS 11 -8.944 -2.589 7.197
53 HE3 LYS 11 2HE LYS 11 -8.557 -1.002 7.860
54 HZ1 LYS 11 3HZ LYS 11 -11.080 -0.882 8.291
55 HZ2 LYS 11 1HZ LYS 11 -10.118 -1.807 9.331
56 HZ3 LYS 11 2HZ LYS 11 -11.038 -2.566 8.131
57 HA PRO 12 HA PRO 12 -9.122 -0.365 -0.368
58 HB2 PRO 12 1HB PRO 12 -10.490 1.955 -0.023
59 HB3 PRO 12 2HB PRO 12 -11.287 0.399 -0.285
60 HG2 PRO 12 1HG PRO 12 -10.808 1.874 2.275
61 HG3 PRO 12 2HG PRO 12 -12.264 1.020 1.732
62 HD2 PRO 12 1HD PRO 12 -10.504 -0.068 3.479
63 HD3 PRO 12 2HD PRO 12 -11.424 -1.045 2.317
64 H PHE 13 H PHE 13 -8.530 1.456 2.596
65 HA PHE 13 HA PHE 13 -6.667 3.216 1.183
66 HB2 PHE 13 1HB PHE 13 -7.384 3.392 4.103
67 HB3 PHE 13 2HB PHE 13 -6.765 4.660 3.051
68 HD1 PHE 13 HD1 PHE 13 -8.243 5.673 1.341
69 HD2 PHE 13 HD2 PHE 13 -9.700 2.940 4.261
70 HE1 PHE 13 HE1 PHE 13 -10.542 6.426 0.893
71 HE2 PHE 13 HE2 PHE 13 -12.002 3.688 3.817
72 HZ PHE 13 HZ PHE 13 -12.425 5.433 2.131
73 H GLN 14 H GLN 14 -4.943 1.816 0.823
74 HA GLN 14 HA GLN 14 -3.530 0.919 3.248
75 HB2 GLN 14 1HB GLN 14 -3.412 -0.310 0.488
76 HB3 GLN 14 2HB GLN 14 -2.557 -0.883 1.914
77 HG2 GLN 14 1HG GLN 14 -4.989 -1.011 2.908
78 HG3 GLN 14 2HG GLN 14 -5.431 -1.108 1.204
79 HE21 GLN 14 1HE2 GLN 14 -2.746 -2.421 3.116
80 HE22 GLN 14 2HE2 GLN 14 -2.990 -4.065 2.646
81 H CYS 15 H CYS 15 -1.277 1.157 3.320
82 HA CYS 15 HA CYS 15 -0.255 3.513 2.203
83 HB2 CYS 15 1HB CYS 15 0.522 2.074 4.263
84 HB3 CYS 15 2HB CYS 15 1.581 1.316 3.078
85 H GLU 16 H GLU 16 1.976 3.442 1.009
86 HA GLU 16 HA GLU 16 1.638 1.696 -1.340
87 HB2 GLU 16 1HB GLU 16 2.388 4.560 -1.052
88 HB3 GLU 16 2HB GLU 16 3.172 3.646 -2.333
89 HG2 GLU 16 1HG GLU 16 0.211 4.021 -1.955
90 HG3 GLU 16 2HG GLU 16 1.222 4.776 -3.187
91 H GLU 17 H GLU 17 3.746 2.703 1.183
92 HA GLU 17 HA GLU 17 6.063 1.445 -0.090
93 HB2 GLU 17 1HB GLU 17 6.086 3.741 1.144
94 HB3 GLU 17 2HB GLU 17 6.120 2.762 2.604
95 HG2 GLU 17 1HG GLU 17 8.355 3.236 2.164
96 HG3 GLU 17 2HG GLU 17 8.132 1.590 1.575
97 H CYS 18 H CYS 18 3.741 0.989 2.445
98 HA CYS 18 HA CYS 18 4.984 -1.601 3.064
99 HB2 CYS 18 1HB CYS 18 4.618 -1.346 5.402
100 HB3 CYS 18 2HB CYS 18 5.412 0.130 4.863
101 H GLY 19 H GLY 19 2.449 -0.168 1.710
102 HA2 GLY 19 1HA GLY 19 0.171 -0.606 1.551
103 HA3 GLY 19 2HA GLY 19 0.789 -2.241 1.371
104 H LYS 20 H LYS 20 0.150 0.084 3.999
105 HA LYS 20 HA LYS 20 -0.503 -2.067 5.816
106 HB2 LYS 20 1HB LYS 20 -0.171 0.883 6.013
107 HB3 LYS 20 2HB LYS 20 -1.198 0.106 7.211
108 HG2 LYS 20 1HG LYS 20 1.477 -1.074 6.694
109 HG3 LYS 20 2HG LYS 20 1.389 0.441 7.596
110 HD2 LYS 20 1HD LYS 20 -0.282 -0.669 9.107
111 HD3 LYS 20 2HD LYS 20 0.083 -2.187 8.283
112 HE2 LYS 20 1HE LYS 20 1.520 -2.312 10.067
113 HE3 LYS 20 2HE LYS 20 2.558 -1.548 8.864
114 HZ1 LYS 20 3HZ LYS 20 2.272 -0.589 11.297
115 HZ2 LYS 20 1HZ LYS 20 0.977 0.217 10.566
116 HZ3 LYS 20 2HZ LYS 20 2.545 0.414 9.963
117 H ARG 21 H ARG 21 -2.563 -1.323 7.292
118 HA ARG 21 HA ARG 21 -4.813 -1.067 5.404
119 HB2 ARG 21 1HB ARG 21 -4.624 -2.757 7.903
120 HB3 ARG 21 2HB ARG 21 -6.101 -2.511 6.979
121 HG2 ARG 21 1HG ARG 21 -5.428 -3.859 5.273
122 HG3 ARG 21 2HG ARG 21 -3.716 -3.520 5.533
123 HD2 ARG 21 1HD ARG 21 -5.449 -5.208 7.334
124 HD3 ARG 21 2HD ARG 21 -4.332 -5.835 6.122
125 HE ARG 21 HE ARG 21 -3.122 -4.075 8.056
126 HH11 ARG 21 1HH1 ARG 21 -3.995 -7.356 7.289
127 HH12 ARG 21 2HH1 ARG 21 -2.813 -8.056 8.346
128 HH21 ARG 21 1HH2 ARG 21 -1.563 -4.983 9.451
129 HH22 ARG 21 2HH2 ARG 21 -1.431 -6.705 9.576
130 H PHE 22 H PHE 22 -6.066 0.640 5.732
131 HA PHE 22 HA PHE 22 -6.425 1.665 8.451
132 HB2 PHE 22 1HB PHE 22 -5.859 3.509 6.130
133 HB3 PHE 22 2HB PHE 22 -5.971 3.928 7.836
134 HD1 PHE 22 HD1 PHE 22 -4.203 3.035 9.408
135 HD2 PHE 22 HD2 PHE 22 -3.820 2.903 5.171
136 HE1 PHE 22 HE1 PHE 22 -1.771 2.742 9.641
137 HE2 PHE 22 HE2 PHE 22 -1.388 2.607 5.397
138 HZ PHE 22 HZ PHE 22 -0.360 2.526 7.633
139 H THR 23 H THR 23 -8.446 2.384 8.883
140 HA THR 23 HA THR 23 -10.509 1.807 6.976
141 HB THR 23 HB THR 23 -10.706 3.094 9.707
142 HG1 THR 23 HG1 THR 23 -11.623 0.791 10.001
143 HG21 THR 23 3HG2 THR 23 -12.614 3.366 7.938
144 HG22 THR 23 1HG2 THR 23 -13.008 2.907 9.594
145 HG23 THR 23 2HG2 THR 23 -12.951 1.680 8.329
146 H GLN 24 H GLN 24 -9.142 4.739 8.410
147 HA GLN 24 HA GLN 24 -10.818 6.364 6.629
148 HB2 GLN 24 1HB GLN 24 -10.547 6.730 9.221
149 HB3 GLN 24 2HB GLN 24 -9.063 7.545 8.744
150 HG2 GLN 24 1HG GLN 24 -10.840 9.148 8.986
151 HG3 GLN 24 2HG GLN 24 -10.363 9.035 7.293
152 HE21 GLN 24 1HE2 GLN 24 -11.912 8.768 5.849
153 HE22 GLN 24 2HE2 GLN 24 -13.529 8.260 6.182
154 H ASN 25 H ASN 25 -9.907 7.957 5.297
155 HA ASN 25 HA ASN 25 -7.498 7.247 4.028
156 HB2 ASN 25 1HB ASN 25 -7.770 9.623 3.004
157 HB3 ASN 25 2HB ASN 25 -8.988 8.400 2.654
158 HD21 ASN 25 1HD2 ASN 25 -10.882 9.359 2.547
159 HD22 ASN 25 2HD2 ASN 25 -11.499 10.519 3.670
160 H SER 26 H SER 26 -8.271 9.830 6.330
161 HA SER 26 HA SER 26 -5.857 11.182 6.342
162 HB2 SER 26 1HB SER 26 -7.782 12.039 7.541
163 HB3 SER 26 2HB SER 26 -7.756 10.661 8.641
164 HG SER 26 HG SER 26 -5.717 11.396 9.379
165 H HIS 27 H HIS 27 -6.814 8.353 8.261
166 HA HIS 27 HA HIS 27 -4.598 8.072 9.869
167 HB2 HIS 27 1HB HIS 27 -6.540 6.143 8.679
168 HB3 HIS 27 2HB HIS 27 -5.109 5.498 9.477
169 HD1 HIS 27 HD1 HIS 27 -6.711 4.479 11.293
170 HD2 HIS 27 HD2 HIS 27 -6.660 8.630 11.124
171 HE1 HIS 27 HE1 HIS 27 -7.796 5.252 13.426
172 H LEU 28 H LEU 28 -5.003 7.091 6.503
173 HA LEU 28 HA LEU 28 -2.449 5.802 6.340
174 HB2 LEU 28 1HB LEU 28 -4.058 4.999 4.844
175 HB3 LEU 28 2HB LEU 28 -4.524 6.621 4.338
176 HG LEU 28 HG LEU 28 -2.275 6.811 3.228
177 HD11 LEU 28 1HD1 LEU 28 -1.626 4.608 4.675
178 HD12 LEU 28 2HD1 LEU 28 -0.769 5.152 3.233
179 HD13 LEU 28 3HD1 LEU 28 -2.000 3.895 3.105
180 HD21 LEU 28 3HD2 LEU 28 -4.633 5.449 2.406
181 HD22 LEU 28 1HD2 LEU 28 -3.239 4.627 1.706
182 HD23 LEU 28 2HD2 LEU 28 -3.478 6.351 1.424
183 H HIS 29 H HIS 29 -3.722 8.732 4.744
184 HA HIS 29 HA HIS 29 -1.431 9.720 3.650
185 HB2 HIS 29 1HB HIS 29 -3.691 11.223 4.973
186 HB3 HIS 29 2HB HIS 29 -2.421 12.016 4.046
187 HD1 HIS 29 HD1 HIS 29 -4.256 12.830 2.364
188 HD2 HIS 29 HD2 HIS 29 -3.786 8.708 2.572
189 HE1 HIS 29 HE1 HIS 29 -5.446 11.915 0.346
190 H SER 30 H SER 30 -2.515 10.162 6.998
191 HA SER 30 HA SER 30 -0.255 11.743 7.744
192 HB2 SER 30 1HB SER 30 -1.097 11.496 10.033
193 HB3 SER 30 2HB SER 30 -2.412 11.901 8.931
194 HG SER 30 HG SER 30 -3.308 10.035 9.321
195 H HIS 31 H HIS 31 -1.060 8.331 7.854
196 HA HIS 31 HA HIS 31 0.985 7.462 9.568
197 HB2 HIS 31 1HB HIS 31 -0.570 5.804 9.199
198 HB3 HIS 31 2HB HIS 31 -0.719 6.176 7.484
199 HD1 HIS 31 HD1 HIS 31 1.299 4.174 9.906
200 HD2 HIS 31 HD2 HIS 31 1.112 4.866 5.813
201 HE1 HIS 31 HE1 HIS 31 2.752 2.409 8.859
202 H GLN 32 H GLN 32 1.002 8.362 6.208
203 HA GLN 32 HA GLN 32 3.269 7.103 5.264
204 HB2 GLN 32 1HB GLN 32 1.966 9.722 4.653
205 HB3 GLN 32 2HB GLN 32 3.532 9.365 3.937
206 HG2 GLN 32 1HG GLN 32 2.678 7.467 2.803
207 HG3 GLN 32 2HG GLN 32 1.163 7.532 3.702
208 HE21 GLN 32 1HE2 GLN 32 -0.145 7.708 1.929
209 HE22 GLN 32 2HE2 GLN 32 -0.186 9.106 0.915
210 H ARG 33 H ARG 33 3.000 9.811 7.449
211 HA ARG 33 HA ARG 33 5.533 10.911 7.301
212 HB2 ARG 33 1HB ARG 33 3.603 10.581 9.582
213 HB3 ARG 33 2HB ARG 33 5.166 11.349 9.826
214 HG2 ARG 33 1HG ARG 33 4.459 12.843 7.826
215 HG3 ARG 33 2HG ARG 33 2.832 12.283 8.219
216 HD2 ARG 33 1HD ARG 33 2.913 14.140 9.538
217 HD3 ARG 33 2HD ARG 33 3.584 12.961 10.663
218 HE ARG 33 HE ARG 33 5.605 14.222 9.091
219 HH11 ARG 33 1HH1 ARG 33 3.554 14.620 11.877
220 HH12 ARG 33 2HH1 ARG 33 4.626 15.727 12.670
221 HH21 ARG 33 1HH2 ARG 33 7.024 15.679 10.125
222 HH22 ARG 33 2HH2 ARG 33 6.598 16.329 11.672
223 H VAL 34 H VAL 34 4.466 7.980 8.923
224 HA VAL 34 HA VAL 34 6.626 7.420 10.543
225 HB VAL 34 HB VAL 34 6.021 5.114 10.449
226 HG11 VAL 34 1HG1 VAL 34 4.156 5.584 11.555
227 HG12 VAL 34 2HG1 VAL 34 4.113 7.179 10.801
228 HG13 VAL 34 3HG1 VAL 34 3.297 5.817 10.033
229 HG21 VAL 34 3HG2 VAL 34 4.159 4.577 8.623
230 HG22 VAL 34 1HG2 VAL 34 5.039 5.828 7.745
231 HG23 VAL 34 2HG2 VAL 34 5.881 4.381 8.300
232 H HIS 35 H HIS 35 6.387 7.234 7.071
233 HA HIS 35 HA HIS 35 8.913 5.815 6.824
234 HB2 HIS 35 1HB HIS 35 7.068 6.937 4.704
235 HB3 HIS 35 2HB HIS 35 8.490 5.944 4.395
236 HD1 HIS 35 HD1 HIS 35 8.348 3.440 5.419
237 HD2 HIS 35 HD2 HIS 35 4.772 5.533 5.107
238 HE1 HIS 35 HE1 HIS 35 6.536 1.703 5.578
239 H THR 36 H THR 36 8.610 8.610 7.945
240 HA THR 36 HA THR 36 9.392 10.700 6.496
241 HB THR 36 HB THR 36 11.065 11.278 8.355
242 HG1 THR 36 HG1 THR 36 10.730 9.874 10.236
243 HG21 THR 36 3HG2 THR 36 8.302 11.392 8.227
244 HG22 THR 36 1HG2 THR 36 9.327 12.247 9.379
245 HG23 THR 36 2HG2 THR 36 8.619 10.692 9.813
246 H GLY 37 H GLY 37 11.856 8.443 7.768
247 HA2 GLY 37 1HA GLY 37 13.317 7.589 5.815
248 HA3 GLY 37 2HA GLY 37 13.635 9.303 5.588
249 H GLU 38 H GLU 38 13.370 7.388 8.569
250 HA GLU 38 HA GLU 38 15.652 8.641 9.714
251 HB2 GLU 38 1HB GLU 38 13.870 7.839 11.139
252 HB3 GLU 38 2HB GLU 38 14.087 6.197 10.552
253 HG2 GLU 38 1HG GLU 38 16.403 7.548 11.824
254 HG3 GLU 38 2HG GLU 38 15.085 6.993 12.854
255 H LYS 39 H LYS 39 17.659 7.699 10.276
256 HA LYS 39 HA LYS 39 18.769 6.049 8.226
257 HB2 LYS 39 1HB LYS 39 19.905 7.918 9.622
258 HB3 LYS 39 2HB LYS 39 20.145 6.659 10.826
259 HG2 LYS 39 1HG LYS 39 22.108 6.478 9.706
260 HG3 LYS 39 2HG LYS 39 21.135 5.360 8.748
261 HD2 LYS 39 1HD LYS 39 22.239 6.717 7.175
262 HD3 LYS 39 2HD LYS 39 20.596 7.357 7.261
263 HE2 LYS 39 1HE LYS 39 22.694 8.504 9.042
264 HE3 LYS 39 2HE LYS 39 22.682 8.955 7.338
265 HZ1 LYS 39 3HZ LYS 39 20.796 9.628 9.448
266 HZ2 LYS 39 1HZ LYS 39 20.127 9.305 7.929
267 HZ3 LYS 39 2HZ LYS 39 21.281 10.529 8.101
268 HA PRO 40 HA PRO 40 17.773 2.156 10.122
269 HB2 PRO 40 1HB PRO 40 19.158 0.609 8.373
270 HB3 PRO 40 2HB PRO 40 17.597 1.341 7.982
271 HG2 PRO 40 1HG PRO 40 20.354 2.261 7.264
272 HG3 PRO 40 2HG PRO 40 18.895 2.207 6.258
273 HD2 PRO 40 1HD PRO 40 19.782 4.488 7.416
274 HD3 PRO 40 2HD PRO 40 18.058 4.162 7.145
275 H SER 41 H SER 41 20.851 3.600 9.835
276 HA SER 41 HA SER 41 21.871 1.937 11.988
277 HB2 SER 41 1HB SER 41 22.548 1.024 9.616
278 HB3 SER 41 2HB SER 41 23.709 2.351 9.657
279 HG SER 41 HG SER 41 23.446 0.418 11.716
280 H GLY 42 H GLY 42 22.385 3.408 13.467
281 HA2 GLY 42 1HA GLY 42 24.323 5.457 12.843
282 HA3 GLY 42 2HA GLY 42 22.730 6.084 13.240
283 HA PRO 43 HA PRO 43 25.344 5.294 17.101
284 HB2 PRO 43 1HB PRO 43 25.646 7.889 17.842
285 HB3 PRO 43 2HB PRO 43 26.789 7.053 16.784
286 HG2 PRO 43 1HG PRO 43 24.564 8.923 16.068
287 HG3 PRO 43 2HG PRO 43 26.214 8.848 15.422
288 HD2 PRO 43 1HD PRO 43 24.087 7.801 14.112
289 HD3 PRO 43 2HD PRO 43 25.714 7.099 14.006
290 H SER 44 H SER 44 22.373 6.368 16.176
291 HA SER 44 HA SER 44 21.084 7.717 18.077
292 HB2 SER 44 1HB SER 44 19.095 6.437 17.640
293 HB3 SER 44 2HB SER 44 20.022 6.508 16.142
294 HG SER 44 HG SER 44 19.640 4.411 16.263
295 H SER 45 H SER 45 21.762 7.704 20.158
296 HA SER 45 HA SER 45 22.461 5.407 21.633
297 HB2 SER 45 1HB SER 45 21.498 8.067 22.711
298 HB3 SER 45 2HB SER 45 22.441 6.859 23.584
299 HG SER 45 HG SER 45 23.929 8.273 22.865
300 H GLY 46 H GLY 46 19.478 7.353 21.613
301 HA2 GLY 46 1HA GLY 46 17.825 5.076 22.036
302 HA3 GLY 46 2HA GLY 46 18.038 5.972 23.533
Start of MODEL 19
1 H1 GLY 1 H GLY 1 -5.835 -20.405 7.826
2 HA2 GLY 1 1HA GLY 1 -4.165 -21.622 6.565
3 HA3 GLY 1 2HA GLY 1 -4.860 -23.113 7.182
4 H SER 2 H SER 2 -4.836 -20.872 4.642
5 HA SER 2 HA SER 2 -7.060 -22.303 3.354
6 HB2 SER 2 1HB SER 2 -7.664 -19.949 4.140
7 HB3 SER 2 2HB SER 2 -6.539 -19.362 2.916
8 HG SER 2 HG SER 2 -8.419 -21.230 2.087
9 H SER 3 H SER 3 -7.014 -22.102 0.956
10 HA SER 3 HA SER 3 -4.592 -22.972 -0.092
11 HB2 SER 3 1HB SER 3 -6.841 -23.318 -1.133
12 HB3 SER 3 2HB SER 3 -6.815 -21.632 -1.650
13 HG SER 3 HG SER 3 -6.019 -23.385 -3.149
14 H GLY 4 H GLY 4 -2.836 -22.002 -0.932
15 HA2 GLY 4 1HA GLY 4 -1.334 -20.333 -1.410
16 HA3 GLY 4 2HA GLY 4 -2.698 -19.512 -2.156
17 H SER 5 H SER 5 -0.590 -19.663 0.559
18 HA SER 5 HA SER 5 -2.119 -17.734 2.103
19 HB2 SER 5 1HB SER 5 0.455 -19.224 2.576
20 HB3 SER 5 2HB SER 5 -0.042 -17.896 3.625
21 HG SER 5 HG SER 5 -1.277 -19.280 4.586
22 H SER 6 H SER 6 -1.991 -15.640 1.690
23 HA SER 6 HA SER 6 0.553 -14.349 1.304
24 HB2 SER 6 1HB SER 6 -0.049 -15.135 -0.999
25 HB3 SER 6 2HB SER 6 -1.499 -14.135 -0.910
26 HG SER 6 HG SER 6 1.031 -13.005 -0.423
27 H GLY 7 H GLY 7 0.483 -12.129 1.688
28 HA2 GLY 7 1HA GLY 7 -1.205 -11.103 3.526
29 HA3 GLY 7 2HA GLY 7 -0.431 -10.095 2.312
30 H SER 8 H SER 8 -3.118 -9.986 3.636
31 HA SER 8 HA SER 8 -4.684 -9.761 1.159
32 HB2 SER 8 1HB SER 8 -6.687 -10.569 2.363
33 HB3 SER 8 2HB SER 8 -5.425 -11.799 2.292
34 HG SER 8 HG SER 8 -4.875 -10.639 4.471
35 H GLY 9 H GLY 9 -5.520 -7.798 0.892
36 HA2 GLY 9 1HA GLY 9 -5.594 -6.000 3.223
37 HA3 GLY 9 2HA GLY 9 -5.461 -5.484 1.549
38 H GLU 10 H GLU 10 -7.469 -5.347 4.033
39 HA GLU 10 HA GLU 10 -9.918 -5.957 2.555
40 HB2 GLU 10 1HB GLU 10 -9.297 -5.427 5.441
41 HB3 GLU 10 2HB GLU 10 -10.942 -5.249 4.847
42 HG2 GLU 10 1HG GLU 10 -10.987 -7.410 5.567
43 HG3 GLU 10 2HG GLU 10 -10.529 -7.644 3.880
44 H LYS 11 H LYS 11 -8.509 -3.272 4.424
45 HA LYS 11 HA LYS 11 -10.465 -1.379 3.625
46 HB2 LYS 11 1HB LYS 11 -7.871 -1.311 5.063
47 HB3 LYS 11 2HB LYS 11 -8.399 0.196 4.325
48 HG2 LYS 11 1HG LYS 11 -9.370 0.445 6.353
49 HG3 LYS 11 2HG LYS 11 -10.665 -0.446 5.550
50 HD2 LYS 11 1HD LYS 11 -8.533 -2.007 6.912
51 HD3 LYS 11 2HD LYS 11 -9.720 -1.173 7.919
52 HE2 LYS 11 1HE LYS 11 -10.432 -3.037 5.660
53 HE3 LYS 11 2HE LYS 11 -10.309 -3.536 7.346
54 HZ1 LYS 11 3HZ LYS 11 -12.179 -1.500 6.261
55 HZ2 LYS 11 1HZ LYS 11 -12.039 -1.921 7.894
56 HZ3 LYS 11 2HZ LYS 11 -12.589 -3.060 6.771
57 HA PRO 12 HA PRO 12 -9.081 -0.313 -0.414
58 HB2 PRO 12 1HB PRO 12 -10.106 2.195 -0.579
59 HB3 PRO 12 2HB PRO 12 -11.107 0.741 -0.669
60 HG2 PRO 12 1HG PRO 12 -10.604 2.554 1.660
61 HG3 PRO 12 2HG PRO 12 -12.127 1.825 1.117
62 HD2 PRO 12 1HD PRO 12 -10.688 0.824 3.180
63 HD3 PRO 12 2HD PRO 12 -11.654 -0.204 2.103
64 H PHE 13 H PHE 13 -8.505 1.982 2.219
65 HA PHE 13 HA PHE 13 -6.432 3.371 0.779
66 HB2 PHE 13 1HB PHE 13 -7.014 3.542 3.736
67 HB3 PHE 13 2HB PHE 13 -6.212 4.739 2.725
68 HD1 PHE 13 HD1 PHE 13 -7.743 5.457 0.614
69 HD2 PHE 13 HD2 PHE 13 -9.156 4.025 4.365
70 HE1 PHE 13 HE1 PHE 13 -9.901 6.571 0.223
71 HE2 PHE 13 HE2 PHE 13 -11.316 5.137 3.979
72 HZ PHE 13 HZ PHE 13 -11.692 6.411 1.906
73 H GLN 14 H GLN 14 -4.839 1.886 0.289
74 HA GLN 14 HA GLN 14 -3.449 0.673 2.584
75 HB2 GLN 14 1HB GLN 14 -3.624 -0.224 -0.293
76 HB3 GLN 14 2HB GLN 14 -2.510 -0.924 0.874
77 HG2 GLN 14 1HG GLN 14 -4.521 -1.458 2.294
78 HG3 GLN 14 2HG GLN 14 -5.511 -1.006 0.907
79 HE21 GLN 14 1HE2 GLN 14 -2.600 -2.953 1.508
80 HE22 GLN 14 2HE2 GLN 14 -3.118 -4.319 0.586
81 H CYS 15 H CYS 15 -1.277 0.977 2.834
82 HA CYS 15 HA CYS 15 -0.119 3.291 1.712
83 HB2 CYS 15 1HB CYS 15 0.399 2.007 3.942
84 HB3 CYS 15 2HB CYS 15 1.558 1.136 2.943
85 H GLU 16 H GLU 16 2.256 3.079 0.810
86 HA GLU 16 HA GLU 16 2.159 1.157 -1.422
87 HB2 GLU 16 1HB GLU 16 2.837 4.051 -1.322
88 HB3 GLU 16 2HB GLU 16 3.763 3.044 -2.425
89 HG2 GLU 16 1HG GLU 16 2.079 3.701 -3.803
90 HG3 GLU 16 2HG GLU 16 1.383 2.216 -3.157
91 H GLU 17 H GLU 17 4.007 2.490 1.171
92 HA GLU 17 HA GLU 17 6.463 1.191 0.270
93 HB2 GLU 17 1HB GLU 17 6.525 3.501 1.213
94 HB3 GLU 17 2HB GLU 17 5.990 2.846 2.754
95 HG2 GLU 17 1HG GLU 17 7.997 1.748 3.131
96 HG3 GLU 17 2HG GLU 17 8.455 1.796 1.430
97 H CYS 18 H CYS 18 3.903 0.839 2.598
98 HA CYS 18 HA CYS 18 5.101 -1.700 3.465
99 HB2 CYS 18 1HB CYS 18 4.498 -1.314 5.755
100 HB3 CYS 18 2HB CYS 18 5.422 0.080 5.205
101 H GLY 19 H GLY 19 2.596 -0.219 1.975
102 HA2 GLY 19 1HA GLY 19 0.327 -0.676 1.733
103 HA3 GLY 19 2HA GLY 19 0.979 -2.289 1.487
104 H LYS 20 H LYS 20 -0.308 -0.078 3.919
105 HA LYS 20 HA LYS 20 -0.930 -2.397 5.621
106 HB2 LYS 20 1HB LYS 20 -0.247 0.437 6.192
107 HB3 LYS 20 2HB LYS 20 -1.424 -0.326 7.253
108 HG2 LYS 20 1HG LYS 20 0.453 -2.234 7.244
109 HG3 LYS 20 2HG LYS 20 1.470 -0.820 6.959
110 HD2 LYS 20 1HD LYS 20 -0.500 -1.137 9.224
111 HD3 LYS 20 2HD LYS 20 1.250 -1.329 9.352
112 HE2 LYS 20 1HE LYS 20 1.235 1.090 8.292
113 HE3 LYS 20 2HE LYS 20 -0.379 1.137 9.000
114 HZ1 LYS 20 3HZ LYS 20 1.383 2.002 10.477
115 HZ2 LYS 20 1HZ LYS 20 2.085 0.464 10.512
116 HZ3 LYS 20 2HZ LYS 20 0.537 0.701 11.149
117 H ARG 21 H ARG 21 -2.935 -1.548 7.153
118 HA ARG 21 HA ARG 21 -5.081 -0.854 5.255
119 HB2 ARG 21 1HB ARG 21 -5.217 -2.725 7.627
120 HB3 ARG 21 2HB ARG 21 -6.580 -2.275 6.611
121 HG2 ARG 21 1HG ARG 21 -5.902 -3.584 4.875
122 HG3 ARG 21 2HG ARG 21 -4.193 -3.450 5.297
123 HD2 ARG 21 1HD ARG 21 -5.014 -5.708 5.698
124 HD3 ARG 21 2HD ARG 21 -4.548 -4.930 7.209
125 HE ARG 21 HE ARG 21 -7.350 -4.715 6.538
126 HH11 ARG 21 1HH1 ARG 21 -4.889 -6.539 8.192
127 HH12 ARG 21 2HH1 ARG 21 -6.002 -7.303 9.278
128 HH21 ARG 21 1HH2 ARG 21 -8.825 -5.715 7.962
129 HH22 ARG 21 2HH2 ARG 21 -8.241 -6.834 9.145
130 H PHE 22 H PHE 22 -6.499 0.707 5.830
131 HA PHE 22 HA PHE 22 -6.596 1.645 8.585
132 HB2 PHE 22 1HB PHE 22 -6.069 3.620 6.368
133 HB3 PHE 22 2HB PHE 22 -6.021 3.899 8.106
134 HD1 PHE 22 HD2 PHE 22 -4.314 2.103 5.350
135 HD2 PHE 22 HD1 PHE 22 -4.030 3.667 9.298
136 HE1 PHE 22 HE2 PHE 22 -1.895 1.657 5.349
137 HE2 PHE 22 HE1 PHE 22 -1.610 3.225 9.303
138 HZ PHE 22 HZ PHE 22 -0.539 2.218 7.327
139 H THR 23 H THR 23 -8.671 1.783 9.082
140 HA THR 23 HA THR 23 -10.800 1.574 7.335
141 HB THR 23 HB THR 23 -12.211 2.515 9.178
142 HG1 THR 23 HG1 THR 23 -10.747 2.690 11.204
143 HG21 THR 23 3HG2 THR 23 -11.232 0.095 9.002
144 HG22 THR 23 1HG2 THR 23 -12.053 0.609 10.475
145 HG23 THR 23 2HG2 THR 23 -10.291 0.584 10.411
146 H GLN 24 H GLN 24 -9.314 4.509 8.656
147 HA GLN 24 HA GLN 24 -10.954 6.106 6.809
148 HB2 GLN 24 1HB GLN 24 -9.584 6.789 9.400
149 HB3 GLN 24 2HB GLN 24 -10.122 8.037 8.285
150 HG2 GLN 24 1HG GLN 24 -11.892 7.885 9.744
151 HG3 GLN 24 2HG GLN 24 -12.407 6.837 8.424
152 HE21 GLN 24 1HE2 GLN 24 -11.020 6.893 11.646
153 HE22 GLN 24 2HE2 GLN 24 -11.510 5.296 12.089
154 H ASN 25 H ASN 25 -10.000 7.594 5.431
155 HA ASN 25 HA ASN 25 -7.453 6.918 4.418
156 HB2 ASN 25 1HB ASN 25 -9.038 7.851 2.903
157 HB3 ASN 25 2HB ASN 25 -9.281 9.268 3.921
158 HD21 ASN 25 1HD2 ASN 25 -7.078 7.646 1.749
159 HD22 ASN 25 2HD2 ASN 25 -6.125 9.036 1.368
160 H SER 26 H SER 26 -8.584 9.618 6.414
161 HA SER 26 HA SER 26 -6.413 11.247 6.513
162 HB2 SER 26 1HB SER 26 -7.129 11.966 8.687
163 HB3 SER 26 2HB SER 26 -8.578 11.526 7.783
164 HG SER 26 HG SER 26 -8.090 10.684 10.097
165 H HIS 27 H HIS 27 -6.831 8.216 8.293
166 HA HIS 27 HA HIS 27 -4.564 8.294 9.886
167 HB2 HIS 27 1HB HIS 27 -6.522 6.520 9.632
168 HB3 HIS 27 2HB HIS 27 -5.330 5.698 8.629
169 HD1 HIS 27 HD1 HIS 27 -6.440 4.791 11.509
170 HD2 HIS 27 HD2 HIS 27 -2.749 6.503 10.668
171 HE1 HIS 27 HE1 HIS 27 -4.930 4.092 13.394
172 H LEU 28 H LEU 28 -4.902 7.044 6.577
173 HA LEU 28 HA LEU 28 -2.260 6.170 6.258
174 HB2 LEU 28 1HB LEU 28 -3.827 5.423 4.683
175 HB3 LEU 28 2HB LEU 28 -4.377 7.059 4.329
176 HG LEU 28 HG LEU 28 -2.127 7.469 3.271
177 HD11 LEU 28 1HD1 LEU 28 -0.629 5.904 3.951
178 HD12 LEU 28 2HD1 LEU 28 -1.192 5.113 2.478
179 HD13 LEU 28 3HD1 LEU 28 -1.837 4.622 4.044
180 HD21 LEU 28 3HD2 LEU 28 -3.570 5.213 1.922
181 HD22 LEU 28 1HD2 LEU 28 -2.812 6.636 1.205
182 HD23 LEU 28 2HD2 LEU 28 -4.318 6.801 2.107
183 H HIS 29 H HIS 29 -3.770 9.261 5.348
184 HA HIS 29 HA HIS 29 -1.712 10.558 4.137
185 HB2 HIS 29 1HB HIS 29 -3.886 11.490 5.960
186 HB3 HIS 29 2HB HIS 29 -2.630 12.635 5.498
187 HD1 HIS 29 HD1 HIS 29 -4.427 14.002 4.183
188 HD2 HIS 29 HD2 HIS 29 -3.786 10.152 2.759
189 HE1 HIS 29 HE1 HIS 29 -5.504 13.937 1.911
190 H SER 30 H SER 30 -2.291 10.658 7.658
191 HA SER 30 HA SER 30 0.200 11.901 8.227
192 HB2 SER 30 1HB SER 30 -1.928 11.883 9.668
193 HB3 SER 30 2HB SER 30 -1.403 10.289 10.208
194 HG SER 30 HG SER 30 -0.390 11.504 11.632
195 H HIS 31 H HIS 31 -0.948 8.554 8.405
196 HA HIS 31 HA HIS 31 1.223 7.344 9.598
197 HB2 HIS 31 1HB HIS 31 -0.510 5.866 9.261
198 HB3 HIS 31 2HB HIS 31 -0.826 6.443 7.627
199 HD1 HIS 31 HD1 HIS 31 1.610 4.257 9.524
200 HD2 HIS 31 HD2 HIS 31 0.326 4.959 5.635
201 HE1 HIS 31 HE1 HIS 31 2.675 2.456 8.129
202 H GLN 32 H GLN 32 0.852 8.432 6.282
203 HA GLN 32 HA GLN 32 2.964 7.155 5.047
204 HB2 GLN 32 1HB GLN 32 1.752 9.877 4.653
205 HB3 GLN 32 2HB GLN 32 3.105 9.338 3.667
206 HG2 GLN 32 1HG GLN 32 0.726 7.573 3.907
207 HG3 GLN 32 2HG GLN 32 0.625 9.006 2.885
208 HE21 GLN 32 1HE2 GLN 32 0.508 6.236 2.095
209 HE22 GLN 32 2HE2 GLN 32 1.818 5.976 0.999
210 H ARG 33 H ARG 33 3.011 10.116 6.990
211 HA ARG 33 HA ARG 33 5.651 10.872 6.603
212 HB2 ARG 33 1HB ARG 33 3.892 11.136 9.043
213 HB3 ARG 33 2HB ARG 33 5.463 11.912 8.890
214 HG2 ARG 33 1HG ARG 33 4.444 12.872 6.683
215 HG3 ARG 33 2HG ARG 33 2.911 12.502 7.476
216 HD2 ARG 33 1HD ARG 33 3.222 14.629 8.236
217 HD3 ARG 33 2HD ARG 33 4.071 13.741 9.501
218 HE ARG 33 HE ARG 33 5.876 14.379 7.442
219 HH11 ARG 33 1HH1 ARG 33 4.042 15.899 9.982
220 HH12 ARG 33 2HH1 ARG 33 5.168 17.199 10.194
221 HH21 ARG 33 1HH2 ARG 33 7.365 16.086 7.712
222 HH22 ARG 33 2HH2 ARG 33 7.057 17.305 8.902
223 H VAL 34 H VAL 34 4.350 8.225 8.406
224 HA VAL 34 HA VAL 34 6.382 7.729 10.242
225 HB VAL 34 HB VAL 34 4.761 5.658 8.755
226 HG11 VAL 34 1HG1 VAL 34 5.282 4.883 11.407
227 HG12 VAL 34 2HG1 VAL 34 5.919 4.167 9.925
228 HG13 VAL 34 3HG1 VAL 34 6.813 5.450 10.742
229 HG21 VAL 34 3HG2 VAL 34 4.095 6.747 11.464
230 HG22 VAL 34 1HG2 VAL 34 3.547 7.570 10.004
231 HG23 VAL 34 2HG2 VAL 34 3.056 5.905 10.315
232 H HIS 35 H HIS 35 6.404 7.465 6.825
233 HA HIS 35 HA HIS 35 8.739 5.709 6.815
234 HB2 HIS 35 1HB HIS 35 7.154 6.875 4.517
235 HB3 HIS 35 2HB HIS 35 8.475 5.720 4.363
236 HD1 HIS 35 HD1 HIS 35 7.947 3.406 5.883
237 HD2 HIS 35 HD2 HIS 35 4.750 5.660 4.482
238 HE1 HIS 35 HE1 HIS 35 5.963 1.861 5.931
239 H THR 36 H THR 36 7.860 9.035 6.455
240 HA THR 36 HA THR 36 9.047 10.877 5.706
241 HB THR 36 HB THR 36 11.257 11.038 7.055
242 HG1 THR 36 HG1 THR 36 11.246 8.661 7.380
243 HG21 THR 36 3HG2 THR 36 10.071 12.000 8.737
244 HG22 THR 36 1HG2 THR 36 9.010 10.605 8.933
245 HG23 THR 36 2HG2 THR 36 8.731 11.748 7.619
246 H GLY 37 H GLY 37 9.362 8.716 3.874
247 HA2 GLY 37 1HA GLY 37 11.898 7.980 3.143
248 HA3 GLY 37 2HA GLY 37 10.616 8.309 1.986
249 H GLU 38 H GLU 38 10.288 11.046 2.369
250 HA GLU 38 HA GLU 38 12.557 12.027 0.897
251 HB2 GLU 38 1HB GLU 38 11.277 14.139 0.789
252 HB3 GLU 38 2HB GLU 38 10.335 12.753 0.259
253 HG2 GLU 38 1HG GLU 38 8.789 13.764 1.567
254 HG3 GLU 38 2HG GLU 38 9.570 12.757 2.786
255 H LYS 39 H LYS 39 13.446 11.245 3.359
256 HA LYS 39 HA LYS 39 14.055 13.816 4.664
257 HB2 LYS 39 1HB LYS 39 12.597 12.121 5.958
258 HB3 LYS 39 2HB LYS 39 14.077 11.186 6.124
259 HG2 LYS 39 1HG LYS 39 15.102 13.315 7.094
260 HG3 LYS 39 2HG LYS 39 13.441 13.898 7.232
261 HD2 LYS 39 1HD LYS 39 12.931 11.778 8.505
262 HD3 LYS 39 2HD LYS 39 14.670 11.480 8.544
263 HE2 LYS 39 1HE LYS 39 14.386 12.568 10.541
264 HE3 LYS 39 2HE LYS 39 14.744 13.932 9.482
265 HZ1 LYS 39 3HZ LYS 39 12.577 13.715 11.096
266 HZ2 LYS 39 1HZ LYS 39 11.950 13.284 9.585
267 HZ3 LYS 39 2HZ LYS 39 12.720 14.776 9.786
268 HA PRO 40 HA PRO 40 18.209 12.776 3.489
269 HB2 PRO 40 1HB PRO 40 19.413 14.847 4.766
270 HB3 PRO 40 2HB PRO 40 18.534 15.038 3.244
271 HG2 PRO 40 1HG PRO 40 17.626 15.603 6.040
272 HG3 PRO 40 2HG PRO 40 17.386 16.565 4.570
273 HD2 PRO 40 1HD PRO 40 15.457 14.965 5.595
274 HD3 PRO 40 2HD PRO 40 15.626 15.260 3.852
275 H SER 41 H SER 41 17.580 13.802 6.848
276 HA SER 41 HA SER 41 18.901 11.432 7.851
277 HB2 SER 41 1HB SER 41 20.434 12.785 9.325
278 HB3 SER 41 2HB SER 41 20.842 12.827 7.610
279 HG SER 41 HG SER 41 19.484 14.832 7.629
280 H GLY 42 H GLY 42 18.470 11.021 10.062
281 HA2 GLY 42 1HA GLY 42 16.287 12.689 11.153
282 HA3 GLY 42 2HA GLY 42 16.376 10.945 11.353
283 HA PRO 43 HA PRO 43 18.096 12.936 15.170
284 HB2 PRO 43 1HB PRO 43 16.726 11.351 16.897
285 HB3 PRO 43 2HB PRO 43 16.058 12.844 16.227
286 HG2 PRO 43 1HG PRO 43 15.598 10.011 15.375
287 HG3 PRO 43 2HG PRO 43 14.426 11.330 15.554
288 HD2 PRO 43 1HD PRO 43 15.420 10.580 13.149
289 HD3 PRO 43 2HD PRO 43 14.970 12.258 13.516
290 H SER 44 H SER 44 17.465 9.505 14.490
291 HA SER 44 HA SER 44 18.667 7.614 14.905
292 HB2 SER 44 1HB SER 44 20.164 8.915 13.299
293 HB3 SER 44 2HB SER 44 21.114 9.372 14.713
294 HG SER 44 HG SER 44 21.562 7.211 15.078
295 H SER 45 H SER 45 17.737 8.845 17.209
296 HA SER 45 HA SER 45 19.954 8.715 19.119
297 HB2 SER 45 1HB SER 45 18.351 10.653 19.174
298 HB3 SER 45 2HB SER 45 17.086 9.520 19.649
299 HG SER 45 HG SER 45 19.407 10.277 21.070
300 H GLY 46 H GLY 46 16.707 7.357 18.597
301 HA2 GLY 46 1HA GLY 46 16.930 4.782 18.938
302 HA3 GLY 46 2HA GLY 46 17.294 5.277 20.584
Start of MODEL 20
1 H1 GLY 1 H GLY 1 -10.573 -23.747 7.764
2 HA2 GLY 1 1HA GLY 1 -8.921 -23.544 9.445
3 HA3 GLY 1 2HA GLY 1 -7.812 -24.457 8.431
4 H SER 2 H SER 2 -7.272 -23.289 6.296
5 HA SER 2 HA SER 2 -5.728 -21.111 6.741
6 HB2 SER 2 1HB SER 2 -6.127 -22.530 4.567
7 HB3 SER 2 2HB SER 2 -7.228 -21.218 4.147
8 HG SER 2 HG SER 2 -4.584 -21.272 3.934
9 H SER 3 H SER 3 -5.909 -18.869 6.545
10 HA SER 3 HA SER 3 -8.373 -17.775 7.468
11 HB2 SER 3 1HB SER 3 -7.163 -15.576 7.215
12 HB3 SER 3 2HB SER 3 -6.334 -16.760 8.225
13 HG SER 3 HG SER 3 -5.446 -15.548 6.025
14 H GLY 4 H GLY 4 -10.075 -17.250 6.277
15 HA2 GLY 4 1HA GLY 4 -9.658 -16.086 3.620
16 HA3 GLY 4 2HA GLY 4 -10.656 -17.528 3.736
17 H SER 5 H SER 5 -10.552 -14.138 4.018
18 HA SER 5 HA SER 5 -13.103 -13.987 5.426
19 HB2 SER 5 1HB SER 5 -10.963 -12.037 4.709
20 HB3 SER 5 2HB SER 5 -12.603 -11.423 4.914
21 HG SER 5 HG SER 5 -11.966 -11.383 6.940
22 H SER 6 H SER 6 -14.959 -13.983 4.363
23 HA SER 6 HA SER 6 -14.956 -13.194 1.526
24 HB2 SER 6 1HB SER 6 -16.539 -15.222 3.070
25 HB3 SER 6 2HB SER 6 -17.220 -14.516 1.604
26 HG SER 6 HG SER 6 -14.955 -15.134 0.765
27 H GLY 7 H GLY 7 -15.053 -11.186 3.441
28 HA2 GLY 7 1HA GLY 7 -17.889 -10.390 3.501
29 HA3 GLY 7 2HA GLY 7 -16.635 -9.744 4.548
30 H SER 8 H SER 8 -15.575 -7.936 3.952
31 HA SER 8 HA SER 8 -16.218 -6.840 1.294
32 HB2 SER 8 1HB SER 8 -15.827 -5.502 3.964
33 HB3 SER 8 2HB SER 8 -15.680 -4.599 2.456
34 HG SER 8 HG SER 8 -17.835 -4.732 3.560
35 H GLY 9 H GLY 9 -14.092 -8.589 1.501
36 HA2 GLY 9 1HA GLY 9 -11.843 -8.796 1.075
37 HA3 GLY 9 2HA GLY 9 -12.019 -7.246 0.265
38 H GLU 10 H GLU 10 -10.577 -5.816 0.931
39 HA GLU 10 HA GLU 10 -9.969 -5.666 3.803
40 HB2 GLU 10 1HB GLU 10 -7.978 -5.631 1.532
41 HB3 GLU 10 2HB GLU 10 -7.591 -5.143 3.176
42 HG2 GLU 10 1HG GLU 10 -7.806 -7.302 4.003
43 HG3 GLU 10 2HG GLU 10 -8.746 -7.843 2.614
44 H LYS 11 H LYS 11 -8.858 -3.571 4.362
45 HA LYS 11 HA LYS 11 -10.434 -1.399 3.698
46 HB2 LYS 11 1HB LYS 11 -7.556 -1.334 4.624
47 HB3 LYS 11 2HB LYS 11 -8.701 -0.004 4.728
48 HG2 LYS 11 1HG LYS 11 -8.988 -2.651 6.136
49 HG3 LYS 11 2HG LYS 11 -8.396 -1.159 6.871
50 HD2 LYS 11 1HD LYS 11 -10.590 -1.025 7.481
51 HD3 LYS 11 2HD LYS 11 -10.683 -0.220 5.913
52 HE2 LYS 11 1HE LYS 11 -12.393 -1.705 5.666
53 HE3 LYS 11 2HE LYS 11 -11.066 -2.704 5.077
54 HZ1 LYS 11 3HZ LYS 11 -12.566 -2.893 7.582
55 HZ2 LYS 11 1HZ LYS 11 -10.933 -3.338 7.606
56 HZ3 LYS 11 2HZ LYS 11 -12.009 -4.122 6.562
57 HA PRO 12 HA PRO 12 -9.090 -0.206 -0.331
58 HB2 PRO 12 1HB PRO 12 -10.056 2.331 -0.329
59 HB3 PRO 12 2HB PRO 12 -11.092 0.909 -0.496
60 HG2 PRO 12 1HG PRO 12 -10.522 2.562 1.934
61 HG3 PRO 12 2HG PRO 12 -12.068 1.904 1.366
62 HD2 PRO 12 1HD PRO 12 -10.631 0.744 3.346
63 HD3 PRO 12 2HD PRO 12 -11.633 -0.192 2.219
64 H PHE 13 H PHE 13 -8.620 2.229 2.236
65 HA PHE 13 HA PHE 13 -6.386 3.422 0.887
66 HB2 PHE 13 1HB PHE 13 -7.155 3.817 3.778
67 HB3 PHE 13 2HB PHE 13 -6.269 4.924 2.734
68 HD1 PHE 13 HD1 PHE 13 -7.474 6.046 0.849
69 HD2 PHE 13 HD2 PHE 13 -9.501 3.847 3.877
70 HE1 PHE 13 HE1 PHE 13 -9.580 7.167 0.248
71 HE2 PHE 13 HE2 PHE 13 -11.611 4.963 3.280
72 HZ PHE 13 HZ PHE 13 -11.652 6.625 1.463
73 H GLN 14 H GLN 14 -4.696 2.045 0.640
74 HA GLN 14 HA GLN 14 -3.519 0.945 3.107
75 HB2 GLN 14 1HB GLN 14 -3.541 -0.270 0.340
76 HB3 GLN 14 2HB GLN 14 -2.597 -0.889 1.688
77 HG2 GLN 14 1HG GLN 14 -4.847 -1.035 2.922
78 HG3 GLN 14 2HG GLN 14 -5.564 -0.878 1.319
79 HE21 GLN 14 1HE2 GLN 14 -2.858 -2.663 2.773
80 HE22 GLN 14 2HE2 GLN 14 -3.278 -4.193 2.090
81 H CYS 15 H CYS 15 -1.354 1.218 3.423
82 HA CYS 15 HA CYS 15 -0.048 3.380 2.294
83 HB2 CYS 15 1HB CYS 15 0.483 1.940 4.423
84 HB3 CYS 15 2HB CYS 15 1.538 1.057 3.324
85 H GLU 16 H GLU 16 2.170 3.203 1.182
86 HA GLU 16 HA GLU 16 1.913 1.345 -1.092
87 HB2 GLU 16 1HB GLU 16 2.653 4.223 -0.931
88 HB3 GLU 16 2HB GLU 16 3.479 3.241 -2.133
89 HG2 GLU 16 1HG GLU 16 0.529 3.746 -1.888
90 HG3 GLU 16 2HG GLU 16 1.610 4.251 -3.185
91 H GLU 17 H GLU 17 3.912 2.480 1.461
92 HA GLU 17 HA GLU 17 6.287 1.182 0.345
93 HB2 GLU 17 1HB GLU 17 5.950 2.897 2.812
94 HB3 GLU 17 2HB GLU 17 7.474 2.210 2.265
95 HG2 GLU 17 1HG GLU 17 5.798 4.279 0.870
96 HG3 GLU 17 2HG GLU 17 7.393 4.491 1.589
97 H CYS 18 H CYS 18 3.819 0.765 2.721
98 HA CYS 18 HA CYS 18 5.074 -1.762 3.540
99 HB2 CYS 18 1HB CYS 18 4.616 -1.418 5.828
100 HB3 CYS 18 2HB CYS 18 5.311 0.103 5.276
101 H GLY 19 H GLY 19 2.654 -0.518 1.898
102 HA2 GLY 19 1HA GLY 19 0.394 -0.996 1.602
103 HA3 GLY 19 2HA GLY 19 1.048 -2.627 1.587
104 H LYS 20 H LYS 20 0.007 -0.121 3.892
105 HA LYS 20 HA LYS 20 -0.779 -2.201 5.782
106 HB2 LYS 20 1HB LYS 20 -0.262 0.722 5.938
107 HB3 LYS 20 2HB LYS 20 -1.435 0.056 7.066
108 HG2 LYS 20 1HG LYS 20 1.179 -1.323 6.801
109 HG3 LYS 20 2HG LYS 20 1.130 0.220 7.656
110 HD2 LYS 20 1HD LYS 20 0.811 -1.405 9.322
111 HD3 LYS 20 2HD LYS 20 -0.804 -0.774 8.991
112 HE2 LYS 20 1HE LYS 20 -1.395 -2.684 7.733
113 HE3 LYS 20 2HE LYS 20 0.277 -3.234 7.643
114 HZ1 LYS 20 3HZ LYS 20 -0.627 -4.576 9.268
115 HZ2 LYS 20 1HZ LYS 20 -1.586 -3.345 9.922
116 HZ3 LYS 20 2HZ LYS 20 0.083 -3.350 10.192
117 H ARG 21 H ARG 21 -2.888 -1.262 7.086
118 HA ARG 21 HA ARG 21 -4.966 -0.770 5.062
119 HB2 ARG 21 1HB ARG 21 -5.076 -2.769 7.327
120 HB3 ARG 21 2HB ARG 21 -6.452 -2.319 6.328
121 HG2 ARG 21 1HG ARG 21 -5.619 -3.395 4.461
122 HG3 ARG 21 2HG ARG 21 -3.959 -3.364 5.059
123 HD2 ARG 21 1HD ARG 21 -5.021 -4.859 6.974
124 HD3 ARG 21 2HD ARG 21 -6.184 -5.226 5.700
125 HE ARG 21 HE ARG 21 -3.442 -5.493 4.880
126 HH11 ARG 21 1HH1 ARG 21 -6.152 -7.081 6.380
127 HH12 ARG 21 2HH1 ARG 21 -5.598 -8.676 5.995
128 HH21 ARG 21 1HH2 ARG 21 -2.701 -7.588 4.367
129 HH22 ARG 21 2HH2 ARG 21 -3.634 -8.964 4.851
130 H PHE 22 H PHE 22 -6.514 0.674 5.610
131 HA PHE 22 HA PHE 22 -6.870 1.472 8.380
132 HB2 PHE 22 1HB PHE 22 -6.184 3.569 6.321
133 HB3 PHE 22 2HB PHE 22 -6.367 3.784 8.059
134 HD1 PHE 22 HD1 PHE 22 -4.657 2.847 9.598
135 HD2 PHE 22 HD2 PHE 22 -4.132 2.891 5.375
136 HE1 PHE 22 HE1 PHE 22 -2.240 2.493 9.898
137 HE2 PHE 22 HE2 PHE 22 -1.715 2.536 5.668
138 HZ PHE 22 HZ PHE 22 -0.766 2.336 7.932
139 H THR 23 H THR 23 -8.915 2.086 8.801
140 HA THR 23 HA THR 23 -10.973 1.605 6.991
141 HB THR 23 HB THR 23 -11.109 3.420 9.406
142 HG1 THR 23 HG1 THR 23 -11.754 0.655 9.301
143 HG21 THR 23 3HG2 THR 23 -13.505 2.439 9.390
144 HG22 THR 23 1HG2 THR 23 -13.171 2.069 7.698
145 HG23 THR 23 2HG2 THR 23 -13.114 3.738 8.264
146 H GLN 24 H GLN 24 -9.547 4.703 7.993
147 HA GLN 24 HA GLN 24 -10.750 5.921 5.596
148 HB2 GLN 24 1HB GLN 24 -10.502 7.021 8.384
149 HB3 GLN 24 2HB GLN 24 -10.671 8.085 6.995
150 HG2 GLN 24 1HG GLN 24 -12.619 5.875 7.555
151 HG3 GLN 24 2HG GLN 24 -12.780 7.477 8.271
152 HE21 GLN 24 1HE2 GLN 24 -14.073 5.699 6.010
153 HE22 GLN 24 2HE2 GLN 24 -14.393 6.869 4.779
154 H ASN 25 H ASN 25 -9.479 7.286 4.394
155 HA ASN 25 HA ASN 25 -6.765 6.865 4.252
156 HB2 ASN 25 1HB ASN 25 -6.693 9.043 2.963
157 HB3 ASN 25 2HB ASN 25 -7.873 7.867 2.393
158 HD21 ASN 25 1HD2 ASN 25 -7.420 11.028 2.993
159 HD22 ASN 25 2HD2 ASN 25 -9.049 11.519 3.289
160 H SER 26 H SER 26 -8.509 9.298 6.107
161 HA SER 26 HA SER 26 -6.677 11.097 6.873
162 HB2 SER 26 1HB SER 26 -9.077 10.630 7.797
163 HB3 SER 26 2HB SER 26 -8.224 9.744 9.061
164 HG SER 26 HG SER 26 -7.401 12.345 8.404
165 H HIS 27 H HIS 27 -6.963 7.878 8.370
166 HA HIS 27 HA HIS 27 -4.814 8.098 10.133
167 HB2 HIS 27 1HB HIS 27 -6.651 6.220 9.776
168 HB3 HIS 27 2HB HIS 27 -5.369 5.467 8.833
169 HD1 HIS 27 HD1 HIS 27 -6.423 4.214 11.463
170 HD2 HIS 27 HD2 HIS 27 -3.088 6.676 11.190
171 HE1 HIS 27 HE1 HIS 27 -5.012 3.658 13.468
172 H LEU 28 H LEU 28 -4.902 7.043 6.759
173 HA LEU 28 HA LEU 28 -2.185 6.259 6.611
174 HB2 LEU 28 1HB LEU 28 -3.628 5.411 4.961
175 HB3 LEU 28 2HB LEU 28 -4.240 7.013 4.558
176 HG LEU 28 HG LEU 28 -1.824 7.467 3.741
177 HD11 LEU 28 1HD1 LEU 28 -1.442 4.781 2.870
178 HD12 LEU 28 2HD1 LEU 28 -1.552 4.803 4.629
179 HD13 LEU 28 3HD1 LEU 28 -0.359 5.809 3.808
180 HD21 LEU 28 3HD2 LEU 28 -3.938 5.833 2.402
181 HD22 LEU 28 1HD2 LEU 28 -2.423 6.176 1.565
182 HD23 LEU 28 2HD2 LEU 28 -3.452 7.503 2.105
183 H HIS 29 H HIS 29 -3.854 9.234 5.594
184 HA HIS 29 HA HIS 29 -1.960 10.722 4.446
185 HB2 HIS 29 1HB HIS 29 -4.057 11.419 6.444
186 HB3 HIS 29 2HB HIS 29 -2.869 12.655 6.041
187 HD1 HIS 29 HD1 HIS 29 -4.261 14.196 4.642
188 HD2 HIS 29 HD2 HIS 29 -4.554 10.236 3.418
189 HE1 HIS 29 HE1 HIS 29 -5.561 14.252 2.490
190 H SER 30 H SER 30 -2.217 10.369 7.981
191 HA SER 30 HA SER 30 0.238 11.770 8.453
192 HB2 SER 30 1HB SER 30 -0.088 10.985 10.814
193 HB3 SER 30 2HB SER 30 -1.472 11.856 10.153
194 HG SER 30 HG SER 30 -2.533 9.921 9.867
195 H HIS 31 H HIS 31 -0.718 8.388 9.082
196 HA HIS 31 HA HIS 31 1.602 7.251 9.812
197 HB2 HIS 31 1HB HIS 31 -0.269 5.827 9.617
198 HB3 HIS 31 2HB HIS 31 -0.494 6.215 7.914
199 HD1 HIS 31 HD1 HIS 31 1.556 4.085 10.208
200 HD2 HIS 31 HD2 HIS 31 1.070 4.738 6.134
201 HE1 HIS 31 HE1 HIS 31 2.785 2.207 9.075
202 H GLN 32 H GLN 32 0.909 8.567 6.676
203 HA GLN 32 HA GLN 32 2.857 7.318 5.126
204 HB2 GLN 32 1HB GLN 32 1.395 9.902 4.993
205 HB3 GLN 32 2HB GLN 32 2.828 9.738 3.988
206 HG2 GLN 32 1HG GLN 32 0.821 7.554 3.923
207 HG3 GLN 32 2HG GLN 32 0.428 9.074 3.123
208 HE21 GLN 32 1HE2 GLN 32 0.722 6.628 1.795
209 HE22 GLN 32 2HE2 GLN 32 2.090 6.738 0.746
210 H ARG 33 H ARG 33 3.085 10.283 7.071
211 HA ARG 33 HA ARG 33 5.661 11.051 6.462
212 HB2 ARG 33 1HB ARG 33 5.658 12.312 8.463
213 HB3 ARG 33 2HB ARG 33 3.979 12.241 7.945
214 HG2 ARG 33 1HG ARG 33 3.349 10.911 9.688
215 HG3 ARG 33 2HG ARG 33 4.947 10.180 9.851
216 HD2 ARG 33 1HD ARG 33 4.637 13.084 10.429
217 HD3 ARG 33 2HD ARG 33 4.044 11.920 11.614
218 HE ARG 33 HE ARG 33 6.804 12.458 10.923
219 HH11 ARG 33 1HH1 ARG 33 4.544 10.316 12.479
220 HH12 ARG 33 2HH1 ARG 33 5.741 9.575 13.489
221 HH21 ARG 33 1HH2 ARG 33 8.390 11.490 12.247
222 HH22 ARG 33 2HH2 ARG 33 7.928 10.244 13.357
223 H VAL 34 H VAL 34 4.627 8.247 8.114
224 HA VAL 34 HA VAL 34 6.824 7.738 9.784
225 HB VAL 34 HB VAL 34 5.054 5.746 8.360
226 HG11 VAL 34 1HG1 VAL 34 6.759 5.362 10.817
227 HG12 VAL 34 2HG1 VAL 34 5.763 4.145 10.017
228 HG13 VAL 34 3HG1 VAL 34 7.184 4.799 9.201
229 HG21 VAL 34 3HG2 VAL 34 3.652 5.773 10.257
230 HG22 VAL 34 1HG2 VAL 34 4.819 6.699 11.202
231 HG23 VAL 34 2HG2 VAL 34 3.955 7.467 9.870
232 H HIS 35 H HIS 35 6.319 7.199 6.354
233 HA HIS 35 HA HIS 35 8.969 5.950 6.148
234 HB2 HIS 35 1HB HIS 35 6.957 6.161 3.918
235 HB3 HIS 35 2HB HIS 35 8.300 5.034 4.075
236 HD1 HIS 35 HD1 HIS 35 7.972 3.042 5.758
237 HD2 HIS 35 HD2 HIS 35 4.589 5.363 5.100
238 HE1 HIS 35 HE1 HIS 35 6.047 1.694 6.655
239 H THR 36 H THR 36 8.112 8.909 6.384
240 HA THR 36 HA THR 36 8.669 10.264 4.015
241 HB THR 36 HB THR 36 7.764 11.297 6.118
242 HG1 THR 36 HG1 THR 36 9.446 13.188 5.790
243 HG21 THR 36 3HG2 THR 36 9.902 10.248 7.369
244 HG22 THR 36 1HG2 THR 36 9.018 11.648 7.976
245 HG23 THR 36 2HG2 THR 36 10.507 11.875 7.058
246 H GLY 37 H GLY 37 10.558 11.317 3.254
247 HA2 GLY 37 1HA GLY 37 12.792 11.475 2.748
248 HA3 GLY 37 2HA GLY 37 13.108 11.047 4.423
249 H GLU 38 H GLU 38 11.467 9.134 1.934
250 HA GLU 38 HA GLU 38 13.712 7.237 1.994
251 HB2 GLU 38 1HB GLU 38 10.778 6.611 2.314
252 HB3 GLU 38 2HB GLU 38 11.973 5.395 1.887
253 HG2 GLU 38 1HG GLU 38 13.171 5.847 3.973
254 HG3 GLU 38 2HG GLU 38 11.954 7.047 4.403
255 H LYS 39 H LYS 39 14.462 6.881 0.023
256 HA LYS 39 HA LYS 39 12.680 6.482 -2.211
257 HB2 LYS 39 1HB LYS 39 14.345 8.943 -1.923
258 HB3 LYS 39 2HB LYS 39 14.176 8.230 -3.522
259 HG2 LYS 39 1HG LYS 39 11.625 8.276 -2.941
260 HG3 LYS 39 2HG LYS 39 12.125 9.519 -1.792
261 HD2 LYS 39 1HD LYS 39 13.070 9.680 -4.618
262 HD3 LYS 39 2HD LYS 39 11.416 10.162 -4.234
263 HE2 LYS 39 1HE LYS 39 12.400 11.646 -2.443
264 HE3 LYS 39 2HE LYS 39 13.980 11.304 -3.146
265 HZ1 LYS 39 3HZ LYS 39 11.688 12.642 -4.473
266 HZ2 LYS 39 1HZ LYS 39 13.101 12.172 -5.277
267 HZ3 LYS 39 2HZ LYS 39 13.173 13.337 -4.053
268 HA PRO 40 HA PRO 40 15.914 3.741 -3.381
269 HB2 PRO 40 1HB PRO 40 15.373 3.495 -6.030
270 HB3 PRO 40 2HB PRO 40 14.378 2.750 -4.773
271 HG2 PRO 40 1HG PRO 40 13.922 5.288 -6.293
272 HG3 PRO 40 2HG PRO 40 12.764 4.014 -5.872
273 HD2 PRO 40 1HD PRO 40 12.941 6.336 -4.490
274 HD3 PRO 40 2HD PRO 40 12.488 4.800 -3.723
275 H SER 41 H SER 41 15.892 6.947 -4.142
276 HA SER 41 HA SER 41 18.244 6.793 -5.893
277 HB2 SER 41 1HB SER 41 17.840 9.270 -6.186
278 HB3 SER 41 2HB SER 41 16.550 8.232 -6.792
279 HG SER 41 HG SER 41 15.584 9.829 -5.609
280 H GLY 42 H GLY 42 19.811 6.274 -4.358
281 HA2 GLY 42 1HA GLY 42 20.201 7.359 -1.857
282 HA3 GLY 42 2HA GLY 42 21.505 6.804 -2.897
283 HA PRO 43 HA PRO 43 20.885 11.647 -3.036
284 HB2 PRO 43 1HB PRO 43 20.742 12.601 -0.499
285 HB3 PRO 43 2HB PRO 43 19.311 12.213 -1.461
286 HG2 PRO 43 1HG PRO 43 20.663 10.593 0.662
287 HG3 PRO 43 2HG PRO 43 18.931 10.863 0.394
288 HD2 PRO 43 1HD PRO 43 20.190 8.597 -0.388
289 HD3 PRO 43 2HD PRO 43 18.815 9.281 -1.279
290 H SER 44 H SER 44 22.408 10.161 -0.173
291 HA SER 44 HA SER 44 24.752 11.844 -0.484
292 HB2 SER 44 1HB SER 44 24.039 9.713 1.542
293 HB3 SER 44 2HB SER 44 25.547 10.627 1.565
294 HG SER 44 HG SER 44 22.969 11.427 2.206
295 H SER 45 H SER 45 26.916 10.562 -0.051
296 HA SER 45 HA SER 45 27.752 9.344 -2.300
297 HB2 SER 45 1HB SER 45 28.613 8.803 0.542
298 HB3 SER 45 2HB SER 45 29.449 8.111 -0.848
299 HG SER 45 HG SER 45 30.035 10.343 0.157
300 H GLY 46 H GLY 46 26.319 7.656 0.480
301 HA2 GLY 46 1HA GLY 46 26.536 5.047 -0.524
302 HA3 GLY 46 2HA GLY 46 25.353 5.583 0.660