Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
3076 | 1d2l RC | 4514 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H GLY 1 H GLY 1 0.425 -1.272 -1.432
2 1HA GLY 1 HA1 GLY 1 2.368 -0.279 -0.359
3 2HA GLY 1 HA2 GLY 1 2.897 -0.817 -1.957
4 H SER 2 H SER 2 0.901 1.670 -2.598
5 HA SER 2 HA SER 2 2.854 3.882 -2.129
6 1HB SER 2 HB2 SER 2 3.172 2.969 -4.433
7 2HB SER 2 HB3 SER 2 1.507 3.452 -4.808
8 HG SER 2 HG SER 2 3.698 5.099 -4.043
9 HA PRO 3 HA PRO 3 -1.439 5.039 -0.925
10 1HB PRO 3 HB2 PRO 3 -0.934 6.019 1.563
11 2HB PRO 3 HB3 PRO 3 -0.986 4.272 1.201
12 1HG PRO 3 HG2 PRO 3 1.443 6.074 1.447
13 2HG PRO 3 HG3 PRO 3 1.173 4.465 2.183
14 1HD PRO 3 HD2 PRO 3 2.563 4.842 -0.161
15 2HD PRO 3 HD3 PRO 3 1.612 3.365 0.175
16 HA PRO 4 HA PRO 4 -0.408 9.380 -2.121
17 1HB PRO 4 HB2 PRO 4 -2.770 10.046 -3.352
18 2HB PRO 4 HB3 PRO 4 -1.494 9.080 -4.149
19 1HG PRO 4 HG2 PRO 4 -4.027 8.083 -2.825
20 2HG PRO 4 HG3 PRO 4 -3.305 7.581 -4.379
21 1HD PRO 4 HD2 PRO 4 -2.953 6.185 -2.029
22 2HD PRO 4 HD3 PRO 4 -1.741 6.233 -3.342
23 H GLN 5 H GLN 5 -3.744 8.726 -1.164
24 HA GLN 5 HA GLN 5 -4.981 9.069 0.633
25 1HB GLN 5 HB2 GLN 5 -2.385 9.876 1.977
26 2HB GLN 5 HB3 GLN 5 -3.943 9.790 2.784
27 1HG GLN 5 HG2 GLN 5 -4.164 7.401 1.965
28 2HG GLN 5 HG3 GLN 5 -2.498 7.520 1.403
29 1HE2 GLN 5 HE21 GLN 5 -2.882 5.481 3.140
30 2HE2 GLN 5 HE22 GLN 5 -2.375 5.982 4.757
31 H CYS 6 H CYS 6 -3.640 11.823 -0.810
32 HA CYS 6 HA CYS 6 -6.197 13.131 -0.569
33 1HB CYS 6 HB2 CYS 6 -4.947 13.812 1.635
34 2HB CYS 6 HB3 CYS 6 -3.943 14.790 0.606
35 H GLN 7 H GLN 7 -2.823 13.735 -1.114
36 HA GLN 7 HA GLN 7 -3.166 14.209 -3.987
37 1HB GLN 7 HB2 GLN 7 -1.113 15.769 -2.384
38 2HB GLN 7 HB3 GLN 7 -1.757 16.085 -4.004
39 1HG GLN 7 HG2 GLN 7 -4.024 16.551 -2.863
40 2HG GLN 7 HG3 GLN 7 -3.150 16.537 -1.342
41 1HE2 GLN 7 HE21 GLN 7 -2.053 18.376 -0.633
42 2HE2 GLN 7 HE22 GLN 7 -1.988 19.804 -1.712
43 HA PRO 8 HA PRO 8 -0.057 11.073 -3.930
44 1HB PRO 8 HB2 PRO 8 2.072 11.597 -5.510
45 2HB PRO 8 HB3 PRO 8 0.400 11.559 -6.133
46 1HG PRO 8 HG2 PRO 8 1.994 14.001 -5.293
47 2HG PRO 8 HG3 PRO 8 1.101 13.739 -6.826
48 1HD PRO 8 HD2 PRO 8 0.044 15.075 -4.685
49 2HD PRO 8 HD3 PRO 8 -0.980 14.091 -5.779
50 H GLY 9 H GLY 9 0.093 11.795 -1.496
51 1HA GLY 9 HA1 GLY 9 2.148 10.791 -0.182
52 2HA GLY 9 HA2 GLY 9 2.928 12.294 -0.690
53 H GLU 10 H GLU 10 -0.204 11.413 0.854
54 HA GLU 10 HA GLU 10 0.140 13.705 2.753
55 1HB GLU 10 HB2 GLU 10 -2.126 12.916 0.914
56 2HB GLU 10 HB3 GLU 10 -2.402 14.061 2.197
57 1HG GLU 10 HG2 GLU 10 -0.294 14.448 -0.007
58 2HG GLU 10 HG3 GLU 10 -1.941 14.980 -0.093
59 H PHE 11 H PHE 11 -2.496 13.321 4.117
60 HA PHE 11 HA PHE 11 -2.198 10.694 5.292
61 1HB PHE 11 HB2 PHE 11 -1.253 12.262 6.719
62 2HB PHE 11 HB3 PHE 11 -2.501 13.395 6.528
63 HD1 PHE 11 HD1 PHE 11 -2.976 9.727 7.431
64 HD2 PHE 11 HD2 PHE 11 -3.089 13.849 8.682
65 HE1 PHE 11 HE1 PHE 11 -4.213 9.092 9.464
66 HE2 PHE 11 HE2 PHE 11 -4.225 13.200 10.766
67 HZ PHE 11 HZ PHE 11 -4.878 10.854 11.123
68 H ALA 12 H ALA 12 -3.745 9.393 5.307
69 HA ALA 12 HA ALA 12 -6.572 10.203 4.934
70 1HB ALA 12 HB1 ALA 12 -6.977 7.809 4.574
71 2HB ALA 12 HB2 ALA 12 -5.785 8.474 3.452
72 3HB ALA 12 HB3 ALA 12 -5.256 7.475 4.837
73 H CYS 13 H CYS 13 -7.654 10.621 6.693
74 HA CYS 13 HA CYS 13 -7.041 9.575 9.389
75 1HB CYS 13 HB2 CYS 13 -7.619 11.921 8.995
76 2HB CYS 13 HB3 CYS 13 -9.115 11.418 8.219
77 H ALA 14 H ALA 14 -8.100 7.773 10.257
78 HA ALA 14 HA ALA 14 -10.161 6.394 8.877
79 1HB ALA 14 HB1 ALA 14 -9.449 6.233 11.821
80 2HB ALA 14 HB2 ALA 14 -10.324 5.029 10.867
81 3HB ALA 14 HB3 ALA 14 -8.620 5.371 10.508
82 H ASN 15 H ASN 15 -10.611 9.339 10.689
83 HA ASN 15 HA ASN 15 -13.454 8.908 11.173
84 1HB ASN 15 HB2 ASN 15 -12.430 10.752 12.330
85 2HB ASN 15 HB3 ASN 15 -11.878 11.522 10.856
86 1HD2 ASN 15 HD21 ASN 15 -14.905 10.473 12.535
87 2HD2 ASN 15 HD22 ASN 15 -15.817 11.821 11.857
88 H SER 16 H SER 16 -11.563 9.612 8.376
89 HA SER 16 HA SER 16 -12.230 8.556 6.357
90 1HB SER 16 HB2 SER 16 -14.836 10.105 6.416
91 2HB SER 16 HB3 SER 16 -14.282 8.969 5.172
92 HG SER 16 HG SER 16 -14.898 8.481 7.869
93 H ARG 17 H ARG 17 -10.484 10.385 6.802
94 HA ARG 17 HA ARG 17 -11.219 12.808 5.134
95 1HB ARG 17 HB2 ARG 17 -9.514 13.304 7.544
96 2HB ARG 17 HB3 ARG 17 -10.501 14.401 6.637
97 1HG ARG 17 HG2 ARG 17 -11.622 12.190 8.418
98 2HG ARG 17 HG3 ARG 17 -11.366 13.839 8.936
99 1HD ARG 17 HD2 ARG 17 -13.089 13.246 6.503
100 2HD ARG 17 HD3 ARG 17 -13.750 13.118 8.118
101 HE ARG 17 HE ARG 17 -12.950 15.561 6.700
102 1HH1 ARG 17 HH11 ARG 17 -13.414 17.555 7.587
103 2HH1 ARG 17 HH12 ARG 17 -14.008 17.658 9.217
104 1HH2 ARG 17 HH21 ARG 17 -14.284 15.856 10.477
105 2HH2 ARG 17 HH22 ARG 17 -13.942 14.267 9.858
106 H CYS 18 H CYS 18 -9.952 13.814 3.746
107 HA CYS 18 HA CYS 18 -7.118 12.907 3.681
108 1HB CYS 18 HB2 CYS 18 -6.940 13.084 1.604
109 2HB CYS 18 HB3 CYS 18 -8.667 12.780 1.559
110 H ILE 19 H ILE 19 -5.755 14.003 4.673
111 HA ILE 19 HA ILE 19 -5.728 16.960 4.519
112 HB ILE 19 HB ILE 19 -4.983 16.976 6.918
113 1HG1 ILE 19 HG12 ILE 19 -4.588 14.403 6.918
114 2HG1 ILE 19 HG13 ILE 19 -5.080 15.223 8.366
115 1HG2 ILE 19 HG21 ILE 19 -7.871 16.137 6.382
116 2HG2 ILE 19 HG22 ILE 19 -7.305 16.848 7.884
117 3HG2 ILE 19 HG23 ILE 19 -7.199 17.779 6.379
118 1HD1 ILE 19 HD11 ILE 19 -7.049 13.711 6.652
119 2HD1 ILE 19 HD12 ILE 19 -6.134 13.028 7.997
120 3HD1 ILE 19 HD13 ILE 19 -7.284 14.351 8.292
121 H GLN 20 H GLN 20 -3.475 17.501 5.520
122 HA GLN 20 HA GLN 20 -1.713 16.075 3.729
123 1HB GLN 20 HB2 GLN 20 -0.484 18.243 3.700
124 2HB GLN 20 HB3 GLN 20 -2.210 18.477 3.385
125 1HG GLN 20 HG2 GLN 20 -2.517 19.060 5.821
126 2HG GLN 20 HG3 GLN 20 -0.772 18.927 6.043
127 1HE2 GLN 20 HE21 GLN 20 -0.838 20.397 3.079
128 2HE2 GLN 20 HE22 GLN 20 -0.935 22.047 3.714
129 H GLU 21 H GLU 21 0.379 15.710 4.073
130 HA GLU 21 HA GLU 21 0.937 14.043 6.234
131 1HB GLU 21 HB2 GLU 21 1.975 13.757 4.141
132 2HB GLU 21 HB3 GLU 21 2.675 15.375 4.114
133 1HG GLU 21 HG2 GLU 21 4.372 14.824 5.634
134 2HG GLU 21 HG3 GLU 21 3.571 13.379 6.206
135 H ARG 22 H ARG 22 1.347 17.517 6.398
136 HA ARG 22 HA ARG 22 3.292 17.826 8.478
137 1HB ARG 22 HB2 ARG 22 2.446 19.846 7.694
138 2HB ARG 22 HB3 ARG 22 0.808 19.273 7.654
139 1HG ARG 22 HG2 ARG 22 1.221 19.240 10.397
140 2HG ARG 22 HG3 ARG 22 2.351 20.501 9.916
141 1HD ARG 22 HD2 ARG 22 0.610 21.934 9.767
142 2HD ARG 22 HD3 ARG 22 -0.205 20.879 8.628
143 HE ARG 22 HE ARG 22 -1.656 20.196 10.321
144 1HH1 ARG 22 HH11 ARG 22 -2.387 19.415 12.399
145 2HH1 ARG 22 HH12 ARG 22 -1.233 19.601 13.655
146 1HH2 ARG 22 HH21 ARG 22 0.571 20.391 13.531
147 2HH2 ARG 22 HH22 ARG 22 1.288 21.110 12.068
148 H TRP 23 H TRP 23 -0.007 16.550 8.489
149 HA TRP 23 HA TRP 23 -0.402 16.953 11.319
150 1HB TRP 23 HB2 TRP 23 -1.905 15.489 9.157
151 2HB TRP 23 HB3 TRP 23 -2.527 15.793 10.772
152 HD1 TRP 23 HD1 TRP 23 -0.863 18.447 8.522
153 HE1 TRP 23 HE1 TRP 23 -2.496 20.288 7.877
154 HE3 TRP 23 HE3 TRP 23 -5.117 16.438 10.502
155 HZ2 TRP 23 HZ2 TRP 23 -5.247 20.866 8.221
156 HZ3 TRP 23 HZ3 TRP 23 -7.265 17.679 10.267
157 HH2 TRP 23 HH2 TRP 23 -7.343 19.881 9.164
158 H LYS 24 H LYS 24 1.364 14.543 9.451
159 HA LYS 24 HA LYS 24 0.824 12.296 11.150
160 1HB LYS 24 HB2 LYS 24 2.680 12.701 8.753
161 2HB LYS 24 HB3 LYS 24 2.419 11.195 9.585
162 1HG LYS 24 HG2 LYS 24 -0.095 11.482 9.054
163 2HG LYS 24 HG3 LYS 24 0.413 12.786 8.019
164 1HD LYS 24 HD2 LYS 24 1.340 9.862 7.770
165 2HD LYS 24 HD3 LYS 24 0.063 10.606 6.801
166 1HE LYS 24 HE2 LYS 24 1.810 12.345 6.118
167 2HE LYS 24 HE3 LYS 24 3.018 11.249 6.775
168 1HZ LYS 24 HZ1 LYS 24 2.207 9.586 5.165
169 2HZ LYS 24 HZ2 LYS 24 1.119 10.685 4.548
170 3HZ LYS 24 HZ3 LYS 24 2.753 10.978 4.453
171 H CYS 25 H CYS 25 1.701 12.406 12.992
172 HA CYS 25 HA CYS 25 3.305 12.420 14.658
173 1HB CYS 25 HB2 CYS 25 5.431 13.512 12.808
174 2HB CYS 25 HB3 CYS 25 5.651 12.713 14.341
175 H ASP 26 H ASP 26 1.565 14.727 13.780
176 HA ASP 26 HA ASP 26 3.244 17.098 14.456
177 1HB ASP 26 HB2 ASP 26 1.796 18.105 13.169
178 2HB ASP 26 HB3 ASP 26 0.838 16.699 12.983
179 H GLY 27 H GLY 27 0.970 14.812 15.866
180 1HA GLY 27 HA1 GLY 27 0.968 14.223 18.145
181 2HA GLY 27 HA2 GLY 27 1.719 15.755 18.589
182 H ASP 28 H ASP 28 -0.852 16.618 16.472
183 HA ASP 28 HA ASP 28 -2.816 16.564 18.695
184 1HB ASP 28 HB2 ASP 28 -2.427 18.821 17.776
185 2HB ASP 28 HB3 ASP 28 -2.923 18.250 16.175
186 H ASN 29 H ASN 29 -4.780 15.915 18.394
187 HA ASN 29 HA ASN 29 -5.341 13.485 17.129
188 1HB ASN 29 HB2 ASN 29 -7.436 15.637 17.551
189 2HB ASN 29 HB3 ASN 29 -7.628 13.918 17.570
190 1HD2 ASN 29 HD21 ASN 29 -5.409 13.215 19.497
191 2HD2 ASN 29 HD22 ASN 29 -6.010 13.944 20.995
192 H ASP 30 H ASP 30 -5.822 16.757 15.992
193 HA ASP 30 HA ASP 30 -6.098 17.885 14.117
194 1HB ASP 30 HB2 ASP 30 -3.991 16.798 14.705
195 2HB ASP 30 HB3 ASP 30 -4.253 15.579 13.425
196 H CYS 31 H CYS 31 -6.015 14.636 13.267
197 HA CYS 31 HA CYS 31 -8.062 14.423 11.258
198 1HB CYS 31 HB2 CYS 31 -6.412 12.740 11.232
199 2HB CYS 31 HB3 CYS 31 -6.389 12.587 12.965
200 H LEU 32 H LEU 32 -8.189 14.803 14.628
201 HA LEU 32 HA LEU 32 -9.895 14.899 16.135
202 1HB LEU 32 HB2 LEU 32 -11.856 15.684 15.461
203 2HB LEU 32 HB3 LEU 32 -11.189 15.601 13.847
204 HG LEU 32 HG LEU 32 -12.271 13.163 13.809
205 1HD1 LEU 32 HD11 LEU 32 -14.402 13.084 15.014
206 2HD1 LEU 32 HD12 LEU 32 -13.083 13.199 16.179
207 3HD1 LEU 32 HD13 LEU 32 -14.049 14.636 15.806
208 1HD2 LEU 32 HD21 LEU 32 -12.830 14.981 12.305
209 2HD2 LEU 32 HD22 LEU 32 -14.307 14.178 12.868
210 3HD2 LEU 32 HD23 LEU 32 -13.840 15.753 13.557
211 H ASP 33 H ASP 33 -9.813 12.148 13.985
212 HA ASP 33 HA ASP 33 -10.847 10.254 16.031
213 1HB ASP 33 HB2 ASP 33 -11.643 9.516 14.053
214 2HB ASP 33 HB3 ASP 33 -10.378 10.268 13.102
215 H ASN 34 H ASN 34 -7.958 11.777 15.179
216 HA ASN 34 HA ASN 34 -5.795 11.530 15.661
217 1HB ASN 34 HB2 ASN 34 -6.912 11.682 17.936
218 2HB ASN 34 HB3 ASN 34 -6.950 9.935 18.027
219 1HD2 ASN 34 HD21 ASN 34 -4.717 8.904 17.717
220 2HD2 ASN 34 HD22 ASN 34 -3.433 9.611 18.734
221 H SER 35 H SER 35 -5.790 10.289 13.609
222 HA SER 35 HA SER 35 -5.477 7.373 13.917
223 1HB SER 35 HB2 SER 35 -5.991 9.206 11.573
224 2HB SER 35 HB3 SER 35 -5.094 7.716 11.297
225 HG SER 35 HG SER 35 -7.743 7.867 12.526
226 H ASP 36 H ASP 36 -3.728 10.292 12.629
227 HA ASP 36 HA ASP 36 -1.361 8.943 12.083
228 1HB ASP 36 HB2 ASP 36 -0.351 11.101 12.233
229 2HB ASP 36 HB3 ASP 36 -1.685 11.012 11.082
230 H GLU 37 H GLU 37 -2.471 10.790 14.910
231 HA GLU 37 HA GLU 37 -0.164 10.022 16.395
232 1HB GLU 37 HB2 GLU 37 -2.426 11.515 17.614
233 2HB GLU 37 HB3 GLU 37 -0.692 11.553 17.969
234 1HG GLU 37 HG2 GLU 37 -2.093 12.601 15.530
235 2HG GLU 37 HG3 GLU 37 -1.389 13.567 16.829
236 H ALA 38 H ALA 38 -2.369 7.801 15.613
237 HA ALA 38 HA ALA 38 -1.702 6.523 18.173
238 1HB ALA 38 HB1 ALA 38 -3.639 5.734 15.956
239 2HB ALA 38 HB2 ALA 38 -3.254 4.760 17.396
240 3HB ALA 38 HB3 ALA 38 -4.076 6.328 17.567
241 HA PRO 39 HA PRO 39 1.828 5.309 15.784
242 1HB PRO 39 HB2 PRO 39 2.926 3.372 17.363
243 2HB PRO 39 HB3 PRO 39 2.784 5.078 17.869
244 1HG PRO 39 HG2 PRO 39 0.866 2.804 18.493
245 2HG PRO 39 HG3 PRO 39 1.650 3.933 19.650
246 1HD PRO 39 HD2 PRO 39 -0.850 4.396 18.721
247 2HD PRO 39 HD3 PRO 39 0.307 5.742 18.935
248 H ALA 40 H ALA 40 -0.733 3.970 15.142
249 HA ALA 40 HA ALA 40 0.114 1.576 13.601
250 1HB ALA 40 HB1 ALA 40 -2.397 3.322 13.499
251 2HB ALA 40 HB2 ALA 40 -2.105 1.860 12.531
252 3HB ALA 40 HB3 ALA 40 -2.263 1.736 14.295
253 H LEU 41 H LEU 41 -0.014 5.084 13.570
254 HA LEU 41 HA LEU 41 1.233 5.157 10.860
255 1HB LEU 41 HB2 LEU 41 -1.031 6.146 11.127
256 2HB LEU 41 HB3 LEU 41 -0.398 7.240 12.329
257 HG LEU 41 HG LEU 41 0.897 7.130 9.594
258 1HD1 LEU 41 HD11 LEU 41 -1.486 7.257 9.026
259 2HD1 LEU 41 HD12 LEU 41 -1.676 8.694 10.041
260 3HD1 LEU 41 HD13 LEU 41 -0.660 8.764 8.611
261 1HD2 LEU 41 HD21 LEU 41 0.728 9.767 10.190
262 2HD2 LEU 41 HD22 LEU 41 0.859 9.091 11.803
263 3HD2 LEU 41 HD23 LEU 41 2.096 8.719 10.591
264 H CYS 42 H CYS 42 1.155 7.631 13.610
265 HA CYS 42 HA CYS 42 4.040 7.095 13.933
266 1HB CYS 42 HB2 CYS 42 3.633 8.897 12.299
267 2HB CYS 42 HB3 CYS 42 2.801 9.837 13.545
268 H HIS 43 H HIS 43 1.609 9.360 15.365
269 HA HIS 43 HA HIS 43 1.425 10.243 17.426
270 1HB HIS 43 HB2 HIS 43 0.895 7.830 17.979
271 2HB HIS 43 HB3 HIS 43 2.534 7.688 18.591
272 HD1 HIS 43 HD1 HIS 43 1.376 11.094 19.674
273 HD2 HIS 43 HD2 HIS 43 0.850 7.058 20.834
274 HE1 HIS 43 HE1 HIS 43 0.439 11.119 22.005
275 H GLN 44 H GLN 44 2.715 11.857 16.908
276 HA GLN 44 HA GLN 44 5.245 12.018 18.488
277 1HB GLN 44 HB2 GLN 44 5.169 13.544 16.702
278 2HB GLN 44 HB3 GLN 44 3.544 14.114 17.112
279 1HG GLN 44 HG2 GLN 44 4.322 15.349 18.989
280 2HG GLN 44 HG3 GLN 44 5.842 14.448 19.057
281 1HE2 GLN 44 HE21 GLN 44 4.139 17.107 17.186
282 2HE2 GLN 44 HE22 GLN 44 5.711 17.628 16.572
283 H HIS 45 H HIS 45 5.327 12.725 20.570
284 HA HIS 45 HA HIS 45 2.827 13.397 22.049
285 1HB HIS 45 HB2 HIS 45 3.360 10.892 22.117
286 2HB HIS 45 HB3 HIS 45 4.812 11.301 23.021
287 HD1 HIS 45 HD1 HIS 45 3.313 13.534 24.895
288 HD2 HIS 45 HD2 HIS 45 2.113 9.588 24.056
289 HE1 HIS 45 HE1 HIS 45 1.795 12.778 26.854
Start of MODEL 2
1 H GLY 1 H GLY 1 -3.564 7.427 6.899
2 1HA GLY 1 HA1 GLY 1 -2.544 4.975 7.431
3 2HA GLY 1 HA2 GLY 1 -3.990 5.256 6.461
4 H SER 2 H SER 2 -1.286 6.511 5.042
5 HA SER 2 HA SER 2 0.503 5.797 3.807
6 1HB SER 2 HB2 SER 2 -0.837 3.114 3.389
7 2HB SER 2 HB3 SER 2 0.731 3.597 2.749
8 HG SER 2 HG SER 2 1.518 3.833 4.825
9 HA PRO 3 HA PRO 3 -1.574 5.436 -0.398
10 1HB PRO 3 HB2 PRO 3 -4.214 6.075 -0.808
11 2HB PRO 3 HB3 PRO 3 -3.652 4.434 -0.363
12 1HG PRO 3 HG2 PRO 3 -4.726 6.601 1.460
13 2HG PRO 3 HG3 PRO 3 -5.212 4.877 1.390
14 1HD PRO 3 HD2 PRO 3 -3.430 5.823 3.197
15 2HD PRO 3 HD3 PRO 3 -3.236 4.188 2.486
16 HA PRO 4 HA PRO 4 -1.125 9.828 -1.088
17 1HB PRO 4 HB2 PRO 4 -1.269 10.033 -3.790
18 2HB PRO 4 HB3 PRO 4 -0.030 9.007 -3.005
19 1HG PRO 4 HG2 PRO 4 -2.718 8.100 -4.094
20 2HG PRO 4 HG3 PRO 4 -1.090 7.460 -4.501
21 1HD PRO 4 HD2 PRO 4 -2.633 6.317 -2.575
22 2HD PRO 4 HD3 PRO 4 -0.858 6.438 -2.389
23 H GLN 5 H GLN 5 -3.388 9.530 0.084
24 HA GLN 5 HA GLN 5 -5.805 9.639 -1.251
25 1HB GLN 5 HB2 GLN 5 -5.017 9.095 1.197
26 2HB GLN 5 HB3 GLN 5 -5.434 10.769 1.539
27 1HG GLN 5 HG2 GLN 5 -7.356 9.583 2.135
28 2HG GLN 5 HG3 GLN 5 -7.779 10.174 0.528
29 HE2 GLN 5 HE2 GLN 5 -8.938 7.795 1.941
30 HE2 GLN 5 HE2 GLN 5 -8.475 6.456 0.881
31 H CYS 6 H CYS 6 -3.793 12.303 -0.644
32 HA CYS 6 HA CYS 6 -5.910 14.281 -1.416
33 1HB CYS 6 HB2 CYS 6 -4.369 14.230 0.985
34 2HB CYS 6 HB3 CYS 6 -3.686 15.512 0.017
35 H GLN 7 H GLN 7 -2.379 13.756 -1.244
36 HA GLN 7 HA GLN 7 -1.971 14.351 -4.061
37 1HB GLN 7 HB2 GLN 7 -0.154 15.695 -2.039
38 2HB GLN 7 HB3 GLN 7 -0.375 16.055 -3.741
39 1HG GLN 7 HG2 GLN 7 -2.662 16.975 -3.214
40 2HG GLN 7 HG3 GLN 7 -2.301 16.762 -1.504
41 HE2 GLN 7 HE2 GLN 7 -0.688 18.166 -0.428
42 HE2 GLN 7 HE2 GLN 7 -0.145 19.580 -1.366
43 HA PRO 8 HA PRO 8 0.849 10.981 -3.304
44 1HB PRO 8 HB2 PRO 8 2.958 11.259 -4.991
45 2HB PRO 8 HB3 PRO 8 1.284 11.013 -5.557
46 1HG PRO 8 HG2 PRO 8 2.754 13.651 -5.252
47 2HG PRO 8 HG3 PRO 8 1.870 13.042 -6.689
48 1HD PRO 8 HD2 PRO 8 0.726 14.725 -4.906
49 2HD PRO 8 HD3 PRO 8 -0.228 13.421 -5.670
50 H GLY 9 H GLY 9 0.997 12.008 -1.123
51 1HA GLY 9 HA1 GLY 9 3.255 11.357 0.274
52 2HA GLY 9 HA2 GLY 9 3.681 12.971 -0.310
53 H GLU 10 H GLU 10 0.590 11.635 0.981
54 HA GLU 10 HA GLU 10 0.488 13.878 2.940
55 1HB GLU 10 HB2 GLU 10 -1.589 13.082 0.873
56 2HB GLU 10 HB3 GLU 10 -1.919 14.224 2.162
57 1HG GLU 10 HG2 GLU 10 0.271 14.628 0.062
58 2HG GLU 10 HG3 GLU 10 -1.367 15.211 -0.048
59 H PHE 11 H PHE 11 -2.054 13.467 4.157
60 HA PHE 11 HA PHE 11 -1.751 10.832 5.285
61 1HB PHE 11 HB2 PHE 11 -1.029 12.410 6.794
62 2HB PHE 11 HB3 PHE 11 -2.364 13.483 6.528
63 HD1 PHE 11 HD1 PHE 11 -2.498 9.734 7.177
64 HD2 PHE 11 HD2 PHE 11 -3.200 13.689 8.775
65 HE1 PHE 11 HE1 PHE 11 -3.845 8.771 9.005
66 HE2 PHE 11 HE2 PHE 11 -4.524 12.693 10.584
67 HZ PHE 11 HZ PHE 11 -4.902 10.268 10.690
68 H ALA 12 H ALA 12 -3.187 9.454 5.143
69 HA ALA 12 HA ALA 12 -6.008 10.045 4.488
70 1HB ALA 12 HB1 ALA 12 -4.607 8.371 3.154
71 2HB ALA 12 HB2 ALA 12 -4.579 7.350 4.585
72 3HB ALA 12 HB3 ALA 12 -6.130 7.733 3.816
73 H CYS 13 H CYS 13 -7.207 10.374 6.229
74 HA CYS 13 HA CYS 13 -6.727 9.176 8.881
75 1HB CYS 13 HB2 CYS 13 -7.393 11.507 8.635
76 2HB CYS 13 HB3 CYS 13 -8.816 10.991 7.720
77 H ALA 14 H ALA 14 -7.648 7.253 9.464
78 HA ALA 14 HA ALA 14 -9.550 5.791 8.010
79 1HB ALA 14 HB1 ALA 14 -8.008 4.880 9.712
80 2HB ALA 14 HB2 ALA 14 -8.935 5.701 10.985
81 3HB ALA 14 HB3 ALA 14 -9.693 4.421 10.027
82 H ASN 15 H ASN 15 -10.278 8.610 10.000
83 HA ASN 15 HA ASN 15 -13.097 7.903 10.359
84 1HB ASN 15 HB2 ASN 15 -12.039 9.597 11.791
85 2HB ASN 15 HB3 ASN 15 -11.788 10.667 10.419
86 HD2 ASN 15 HD2 ASN 15 -13.422 12.157 10.018
87 HD2 ASN 15 HD2 ASN 15 -15.044 11.921 10.693
88 H SER 16 H SER 16 -11.185 9.078 7.754
89 HA SER 16 HA SER 16 -11.780 8.327 5.603
90 1HB SER 16 HB2 SER 16 -14.445 9.755 5.811
91 2HB SER 16 HB3 SER 16 -13.824 8.818 4.440
92 HG SER 16 HG SER 16 -14.480 7.955 7.030
93 H ARG 17 H ARG 17 -10.074 10.077 6.234
94 HA ARG 17 HA ARG 17 -10.749 12.613 4.705
95 1HB ARG 17 HB2 ARG 17 -9.059 12.928 7.161
96 2HB ARG 17 HB3 ARG 17 -9.931 14.123 6.271
97 1HG ARG 17 HG2 ARG 17 -11.263 11.951 7.957
98 2HG ARG 17 HG3 ARG 17 -10.868 13.558 8.538
99 1HD ARG 17 HD2 ARG 17 -12.702 13.027 6.175
100 2HD ARG 17 HD3 ARG 17 -13.261 13.262 7.833
101 HE ARG 17 HE ARG 17 -11.789 15.491 7.494
102 HH1 ARG 17 HH1 ARG 17 -12.426 17.466 6.657
103 HH1 ARG 17 HH1 ARG 17 -13.696 17.537 5.475
104 HH2 ARG 17 HH2 ARG 17 -14.717 15.675 4.751
105 HH2 ARG 17 HH2 ARG 17 -14.211 14.128 5.376
106 H CYS 18 H CYS 18 -9.477 13.638 3.368
107 HA CYS 18 HA CYS 18 -6.615 12.825 3.408
108 1HB CYS 18 HB2 CYS 18 -6.300 13.189 1.341
109 2HB CYS 18 HB3 CYS 18 -7.954 12.712 1.171
110 H ILE 19 H ILE 19 -5.343 13.982 4.482
111 HA ILE 19 HA ILE 19 -5.480 16.962 4.423
112 HB ILE 19 HB ILE 19 -4.689 16.877 6.865
113 HG2 ILE 19 HG2 ILE 19 -7.602 16.236 6.209
114 HG2 ILE 19 HG2 ILE 19 -7.030 16.837 7.768
115 HG2 ILE 19 HG2 ILE 19 -6.839 17.835 6.312
116 HG1 ILE 19 HG1 ILE 19 -4.456 14.287 6.762
117 HG1 ILE 19 HG1 ILE 19 -4.947 15.082 8.224
118 HD1 ILE 19 HD1 ILE 19 -6.128 12.991 7.806
119 HD1 ILE 19 HD1 ILE 19 -7.220 14.371 8.006
120 HD1 ILE 19 HD1 ILE 19 -6.906 13.697 6.389
121 H GLN 20 H GLN 20 -3.343 17.760 5.239
122 HA GLN 20 HA GLN 20 -1.351 16.429 3.689
123 1HB GLN 20 HB2 GLN 20 -0.101 18.598 4.005
124 2HB GLN 20 HB3 GLN 20 -1.732 18.809 3.356
125 1HG GLN 20 HG2 GLN 20 -2.584 19.466 5.576
126 2HG GLN 20 HG3 GLN 20 -1.015 19.102 6.292
127 HE2 GLN 20 HE2 GLN 20 -0.758 20.871 3.290
128 HE2 GLN 20 HE2 GLN 20 -0.471 22.404 4.115
129 H GLU 21 H GLU 21 0.663 15.900 4.206
130 HA GLU 21 HA GLU 21 1.056 14.313 6.491
131 1HB GLU 21 HB2 GLU 21 2.055 13.849 4.404
132 2HB GLU 21 HB3 GLU 21 2.942 15.373 4.360
133 1HG GLU 21 HG2 GLU 21 4.560 14.638 5.836
134 2HG GLU 21 HG3 GLU 21 3.526 13.463 6.608
135 H ARG 22 H ARG 22 1.596 17.742 6.419
136 HA ARG 22 HA ARG 22 3.433 18.005 8.584
137 1HB ARG 22 HB2 ARG 22 2.827 19.920 7.367
138 2HB ARG 22 HB3 ARG 22 1.100 19.569 7.430
139 1HG ARG 22 HG2 ARG 22 1.045 20.049 9.851
140 2HG ARG 22 HG3 ARG 22 2.803 20.368 9.813
141 1HD ARG 22 HD2 ARG 22 2.137 22.494 9.542
142 2HD ARG 22 HD3 ARG 22 2.103 22.059 7.852
143 HE ARG 22 HE ARG 22 -0.196 22.287 7.820
144 HH1 ARG 22 HH1 ARG 22 -2.117 23.125 8.637
145 HH1 ARG 22 HH1 ARG 22 -2.453 23.006 10.344
146 HH2 ARG 22 HH2 ARG 22 -0.892 22.327 11.787
147 HH2 ARG 22 HH2 ARG 22 0.658 21.818 11.191
148 H TRP 23 H TRP 23 0.098 16.769 8.523
149 HA TRP 23 HA TRP 23 -0.229 17.138 11.400
150 1HB TRP 23 HB2 TRP 23 -2.072 15.978 9.312
151 2HB TRP 23 HB3 TRP 23 -2.481 16.567 10.920
152 HD1 TRP 23 HD1 TRP 23 -0.486 18.957 8.790
153 HE1 TRP 23 HE1 TRP 23 -1.895 20.794 7.820
154 HE3 TRP 23 HE3 TRP 23 -5.110 17.106 9.850
155 HZ2 TRP 23 HZ2 TRP 23 -4.636 21.623 7.874
156 HZ3 TRP 23 HZ3 TRP 23 -7.110 18.495 9.489
157 HH2 TRP 23 HH2 TRP 23 -6.902 20.761 8.483
158 H LYS 24 H LYS 24 1.427 14.769 9.528
159 HA LYS 24 HA LYS 24 0.684 12.459 11.117
160 1HB LYS 24 HB2 LYS 24 2.862 13.059 9.050
161 2HB LYS 24 HB3 LYS 24 2.614 11.498 9.784
162 1HG LYS 24 HG2 LYS 24 0.330 11.356 8.784
163 2HG LYS 24 HG3 LYS 24 0.525 12.978 8.170
164 1HD LYS 24 HD2 LYS 24 1.511 12.252 6.322
165 2HD LYS 24 HD3 LYS 24 2.792 11.471 7.249
166 1HE LYS 24 HE2 LYS 24 1.650 9.400 7.264
167 2HE LYS 24 HE3 LYS 24 0.148 10.125 6.644
168 1HZ LYS 24 HZ1 LYS 24 2.591 10.504 5.066
169 2HZ LYS 24 HZ2 LYS 24 1.864 9.007 4.990
170 3HZ LYS 24 HZ3 LYS 24 1.056 10.382 4.550
171 H CYS 25 H CYS 25 1.319 12.487 13.147
172 HA CYS 25 HA CYS 25 2.276 13.191 15.035
173 1HB CYS 25 HB2 CYS 25 4.674 12.834 15.396
174 2HB CYS 25 HB3 CYS 25 3.685 11.451 14.966
175 H ASP 26 H ASP 26 1.453 15.347 13.868
176 HA ASP 26 HA ASP 26 3.382 17.315 14.925
177 1HB ASP 26 HB2 ASP 26 1.379 18.803 14.879
178 2HB ASP 26 HB3 ASP 26 1.699 18.127 13.264
179 H GLY 27 H GLY 27 0.873 14.998 15.977
180 1HA GLY 27 HA1 GLY 27 0.853 14.332 18.288
181 2HA GLY 27 HA2 GLY 27 1.186 15.983 18.785
182 H ASP 28 H ASP 28 -1.134 16.548 16.387
183 HA ASP 28 HA ASP 28 -3.254 16.410 18.436
184 1HB ASP 28 HB2 ASP 28 -2.614 18.577 17.282
185 2HB ASP 28 HB3 ASP 28 -3.361 17.915 15.820
186 H ASN 29 H ASN 29 -5.280 15.669 18.088
187 HA ASN 29 HA ASN 29 -5.576 13.428 16.200
188 1HB ASN 29 HB2 ASN 29 -8.083 14.022 17.526
189 2HB ASN 29 HB3 ASN 29 -7.099 12.607 17.501
190 HD2 ASN 29 HD2 ASN 29 -5.405 12.396 19.338
191 HD2 ASN 29 HD2 ASN 29 -5.705 13.430 20.749
192 H ASP 30 H ASP 30 -5.017 15.192 14.641
193 HA ASP 30 HA ASP 30 -6.883 17.038 13.587
194 1HB ASP 30 HB2 ASP 30 -5.257 17.247 11.970
195 2HB ASP 30 HB3 ASP 30 -4.327 16.612 13.303
196 H CYS 31 H CYS 31 -6.445 13.630 13.231
197 HA CYS 31 HA CYS 31 -8.494 13.168 11.285
198 1HB CYS 31 HB2 CYS 31 -6.474 11.866 11.501
199 2HB CYS 31 HB3 CYS 31 -6.898 11.387 13.138
200 H LEU 32 H LEU 32 -8.843 13.757 14.620
201 HA LEU 32 HA LEU 32 -10.337 13.374 16.205
202 1HB LEU 32 HB2 LEU 32 -12.386 14.021 15.697
203 2HB LEU 32 HB3 LEU 32 -11.752 14.179 14.075
204 HG LEU 32 HG LEU 32 -12.663 11.722 13.723
205 HD1 LEU 32 HD1 LEU 32 -14.717 11.272 14.995
206 HD1 LEU 32 HD1 LEU 32 -13.345 11.295 16.098
207 HD1 LEU 32 HD1 LEU 32 -14.427 12.696 16.020
208 HD2 LEU 32 HD2 LEU 32 -13.492 13.712 12.569
209 HD2 LEU 32 HD2 LEU 32 -14.845 12.684 13.074
210 HD2 LEU 32 HD2 LEU 32 -14.465 14.162 13.988
211 H ASP 33 H ASP 33 -10.257 10.751 13.915
212 HA ASP 33 HA ASP 33 -11.030 8.580 15.735
213 1HB ASP 33 HB2 ASP 33 -11.477 8.008 13.554
214 2HB ASP 33 HB3 ASP 33 -10.182 8.986 12.899
215 H ASN 34 H ASN 34 -8.301 10.473 15.084
216 HA ASN 34 HA ASN 34 -6.174 10.574 15.717
217 1HB ASN 34 HB2 ASN 34 -7.288 10.413 17.972
218 2HB ASN 34 HB3 ASN 34 -7.065 8.678 17.954
219 HD2 ASN 34 HD2 ASN 34 -4.751 7.959 17.644
220 HD2 ASN 34 HD2 ASN 34 -3.537 8.832 18.628
221 H SER 35 H SER 35 -5.607 9.589 13.688
222 HA SER 35 HA SER 35 -4.806 6.727 13.838
223 1HB SER 35 HB2 SER 35 -5.773 8.501 11.593
224 2HB SER 35 HB3 SER 35 -4.629 7.218 11.228
225 HG SER 35 HG SER 35 -7.259 6.890 12.447
226 H ASP 36 H ASP 36 -3.802 9.832 12.544
227 HA ASP 36 HA ASP 36 -1.086 9.643 12.081
228 1HB ASP 36 HB2 ASP 36 -1.332 12.059 13.062
229 2HB ASP 36 HB3 ASP 36 -2.105 11.678 11.551
230 H GLU 37 H GLU 37 -2.652 10.707 15.007
231 HA GLU 37 HA GLU 37 -0.276 10.204 16.495
232 1HB GLU 37 HB2 GLU 37 -2.816 11.288 17.634
233 2HB GLU 37 HB3 GLU 37 -1.133 11.562 18.134
234 1HG GLU 37 HG2 GLU 37 -2.406 12.447 15.564
235 2HG GLU 37 HG3 GLU 37 -2.099 13.484 16.939
236 H ALA 38 H ALA 38 -2.029 7.697 15.540
237 HA ALA 38 HA ALA 38 -1.428 6.382 18.101
238 1HB ALA 38 HB1 ALA 38 -3.724 5.972 17.343
239 2HB ALA 38 HB2 ALA 38 -3.157 5.687 15.684
240 3HB ALA 38 HB3 ALA 38 -2.749 4.530 16.980
241 HA PRO 39 HA PRO 39 2.254 5.445 15.702
242 1HB PRO 39 HB2 PRO 39 3.383 3.434 17.179
243 2HB PRO 39 HB3 PRO 39 3.235 5.118 17.752
244 1HG PRO 39 HG2 PRO 39 1.343 2.806 18.307
245 2HG PRO 39 HG3 PRO 39 2.122 3.904 19.498
246 1HD PRO 39 HD2 PRO 39 -0.393 4.362 18.607
247 2HD PRO 39 HD3 PRO 39 0.745 5.722 18.855
248 H ALA 40 H ALA 40 -0.262 4.109 14.932
249 HA ALA 40 HA ALA 40 0.669 1.810 13.291
250 1HB ALA 40 HB1 ALA 40 -1.599 1.983 12.302
251 2HB ALA 40 HB2 ALA 40 -1.692 1.762 14.061
252 3HB ALA 40 HB3 ALA 40 -1.964 3.372 13.350
253 H LEU 41 H LEU 41 0.349 5.295 13.462
254 HA LEU 41 HA LEU 41 1.477 5.572 10.740
255 1HB LEU 41 HB2 LEU 41 -0.856 6.477 11.164
256 2HB LEU 41 HB3 LEU 41 -0.148 7.679 12.229
257 HG LEU 41 HG LEU 41 0.945 7.286 9.433
258 HD1 LEU 41 HD1 LEU 41 -1.491 7.549 9.171
259 HD1 LEU 41 HD1 LEU 41 -1.402 9.083 10.057
260 HD1 LEU 41 HD1 LEU 41 -0.575 8.907 8.503
261 HD2 LEU 41 HD2 LEU 41 2.272 8.758 10.796
262 HD2 LEU 41 HD2 LEU 41 1.505 9.600 9.491
263 HD2 LEU 41 HD2 LEU 41 0.852 9.774 11.140
264 H CYS 42 H CYS 42 1.355 8.012 13.540
265 HA CYS 42 HA CYS 42 4.243 7.364 13.835
266 1HB CYS 42 HB2 CYS 42 4.052 9.095 12.102
267 2HB CYS 42 HB3 CYS 42 3.198 10.127 13.240
268 H HIS 43 H HIS 43 1.641 9.473 15.252
269 HA HIS 43 HA HIS 43 1.433 10.375 17.333
270 1HB HIS 43 HB2 HIS 43 0.892 8.038 17.847
271 2HB HIS 43 HB3 HIS 43 2.580 7.675 18.124
272 HD1 HIS 43 HD1 HIS 43 3.293 7.706 20.559
273 HD2 HIS 43 HD2 HIS 43 -0.005 10.188 19.739
274 HE1 HIS 43 HE1 HIS 43 2.434 8.554 22.813
275 H GLN 44 H GLN 44 2.497 12.182 17.452
276 HA GLN 44 HA GLN 44 5.340 12.294 17.904
277 1HB GLN 44 HB2 GLN 44 3.854 14.210 17.078
278 2HB GLN 44 HB3 GLN 44 3.444 14.499 18.773
279 1HG GLN 44 HG2 GLN 44 5.895 14.672 19.304
280 2HG GLN 44 HG3 GLN 44 6.274 14.406 17.599
281 HE2 GLN 44 HE2 GLN 44 5.090 16.113 16.015
282 HE2 GLN 44 HE2 GLN 44 5.112 17.739 16.744
283 H HIS 45 H HIS 45 6.297 11.375 19.562
284 HA HIS 45 HA HIS 45 6.786 10.516 21.610
285 1HB HIS 45 HB2 HIS 45 7.296 12.855 22.101
286 2HB HIS 45 HB3 HIS 45 5.619 13.160 22.553
287 HD1 HIS 45 HD1 HIS 45 8.645 11.101 23.830
288 HD2 HIS 45 HD2 HIS 45 4.919 12.645 25.041
289 HE1 HIS 45 HE1 HIS 45 8.461 10.698 26.355
Start of MODEL 3
1 H GLY 1 H GLY 1 -3.809 7.286 7.104
2 1HA GLY 1 HA1 GLY 1 -2.725 4.869 7.766
3 2HA GLY 1 HA2 GLY 1 -3.958 5.062 6.514
4 H SER 2 H SER 2 -1.308 6.672 5.616
5 HA SER 2 HA SER 2 0.780 6.261 4.709
6 1HB SER 2 HB2 SER 2 -0.112 3.474 3.930
7 2HB SER 2 HB3 SER 2 1.419 4.220 3.480
8 HG SER 2 HG SER 2 1.960 4.401 5.652
9 HA PRO 3 HA PRO 3 -0.399 5.902 0.232
10 1HB PRO 3 HB2 PRO 3 -2.960 5.463 -0.719
11 2HB PRO 3 HB3 PRO 3 -1.804 4.177 -0.262
12 1HG PRO 3 HG2 PRO 3 -4.009 5.388 1.419
13 2HG PRO 3 HG3 PRO 3 -3.649 3.651 1.153
14 1HD PRO 3 HD2 PRO 3 -2.830 5.012 3.337
15 2HD PRO 3 HD3 PRO 3 -1.793 3.751 2.596
16 HA PRO 4 HA PRO 4 -1.254 10.096 -0.401
17 1HB PRO 4 HB2 PRO 4 -0.990 10.395 -3.087
18 2HB PRO 4 HB3 PRO 4 0.317 9.731 -2.062
19 1HG PRO 4 HG2 PRO 4 -1.748 8.178 -3.666
20 2HG PRO 4 HG3 PRO 4 0.043 8.030 -3.736
21 1HD PRO 4 HD2 PRO 4 -1.440 6.401 -2.167
22 2HD PRO 4 HD3 PRO 4 0.140 7.027 -1.609
23 H GLN 5 H GLN 5 -3.647 9.316 0.331
24 HA GLN 5 HA GLN 5 -5.816 9.496 -1.444
25 1HB GLN 5 HB2 GLN 5 -5.392 9.636 1.471
26 2HB GLN 5 HB3 GLN 5 -6.797 10.544 0.968
27 1HG GLN 5 HG2 GLN 5 -7.633 8.430 1.459
28 2HG GLN 5 HG3 GLN 5 -7.632 8.530 -0.299
29 HE2 GLN 5 HE2 GLN 5 -7.391 6.208 1.865
30 HE2 GLN 5 HE2 GLN 5 -6.051 5.312 1.143
31 H CYS 6 H CYS 6 -3.931 12.175 -0.409
32 HA CYS 6 HA CYS 6 -6.056 14.112 -1.269
33 1HB CYS 6 HB2 CYS 6 -4.530 14.080 1.070
34 2HB CYS 6 HB3 CYS 6 -3.687 15.247 0.088
35 H GLN 7 H GLN 7 -2.512 13.690 -1.337
36 HA GLN 7 HA GLN 7 -2.227 14.397 -4.136
37 1HB GLN 7 HB2 GLN 7 -0.536 15.908 -2.118
38 2HB GLN 7 HB3 GLN 7 -0.815 16.267 -3.809
39 1HG GLN 7 HG2 GLN 7 -3.149 16.969 -3.273
40 2HG GLN 7 HG3 GLN 7 -2.795 16.729 -1.558
41 HE2 GLN 7 HE2 GLN 7 -1.184 18.170 -0.465
42 HE2 GLN 7 HE2 GLN 7 -0.848 19.699 -1.315
43 HA PRO 8 HA PRO 8 0.940 11.327 -3.549
44 1HB PRO 8 HB2 PRO 8 3.073 11.969 -5.111
45 2HB PRO 8 HB3 PRO 8 1.467 11.515 -5.745
46 1HG PRO 8 HG2 PRO 8 2.547 14.315 -5.296
47 2HG PRO 8 HG3 PRO 8 1.789 13.647 -6.779
48 1HD PRO 8 HD2 PRO 8 0.374 15.086 -5.002
49 2HD PRO 8 HD3 PRO 8 -0.365 13.664 -5.791
50 H GLY 9 H GLY 9 0.990 12.032 -1.262
51 1HA GLY 9 HA1 GLY 9 3.231 11.440 0.098
52 2HA GLY 9 HA2 GLY 9 3.635 13.096 -0.356
53 H GLU 10 H GLU 10 0.516 11.711 0.808
54 HA GLU 10 HA GLU 10 0.421 13.926 2.808
55 1HB GLU 10 HB2 GLU 10 -1.651 12.975 0.792
56 2HB GLU 10 HB3 GLU 10 -2.022 14.150 2.039
57 1HG GLU 10 HG2 GLU 10 0.141 14.564 -0.089
58 2HG GLU 10 HG3 GLU 10 -1.524 15.090 -0.192
59 H PHE 11 H PHE 11 -2.042 13.565 4.111
60 HA PHE 11 HA PHE 11 -1.755 10.984 5.316
61 1HB PHE 11 HB2 PHE 11 -0.981 12.623 6.746
62 2HB PHE 11 HB3 PHE 11 -2.303 13.708 6.431
63 HD1 PHE 11 HD1 PHE 11 -2.558 10.010 7.227
64 HD2 PHE 11 HD2 PHE 11 -3.105 14.069 8.618
65 HE1 PHE 11 HE1 PHE 11 -4.036 9.191 9.014
66 HE2 PHE 11 HE2 PHE 11 -4.576 13.213 10.427
67 HZ PHE 11 HZ PHE 11 -5.084 10.788 10.577
68 H ALA 12 H ALA 12 -3.199 9.623 5.126
69 HA ALA 12 HA ALA 12 -6.026 10.238 4.503
70 1HB ALA 12 HB1 ALA 12 -4.623 8.566 3.131
71 2HB ALA 12 HB2 ALA 12 -4.564 7.545 4.557
72 3HB ALA 12 HB3 ALA 12 -6.133 7.912 3.812
73 H CYS 13 H CYS 13 -7.214 10.567 6.279
74 HA CYS 13 HA CYS 13 -6.795 9.260 8.870
75 1HB CYS 13 HB2 CYS 13 -7.509 11.583 8.670
76 2HB CYS 13 HB3 CYS 13 -8.863 11.061 7.660
77 H ALA 14 H ALA 14 -7.673 7.293 9.343
78 HA ALA 14 HA ALA 14 -9.520 5.879 7.738
79 1HB ALA 14 HB1 ALA 14 -9.625 4.338 9.624
80 2HB ALA 14 HB2 ALA 14 -7.953 4.870 9.352
81 3HB ALA 14 HB3 ALA 14 -8.898 5.549 10.693
82 H ASN 15 H ASN 15 -10.359 8.569 9.801
83 HA ASN 15 HA ASN 15 -13.153 7.745 10.150
84 1HB ASN 15 HB2 ASN 15 -12.195 9.527 11.586
85 2HB ASN 15 HB3 ASN 15 -11.964 10.565 10.183
86 HD2 ASN 15 HD2 ASN 15 -14.534 8.913 12.089
87 HD2 ASN 15 HD2 ASN 15 -15.724 10.129 11.601
88 H SER 16 H SER 16 -11.255 9.154 7.626
89 HA SER 16 HA SER 16 -11.764 8.523 5.381
90 1HB SER 16 HB2 SER 16 -14.482 9.836 5.685
91 2HB SER 16 HB3 SER 16 -13.798 9.111 4.217
92 HG SER 16 HG SER 16 -14.450 7.890 6.661
93 H ARG 17 H ARG 17 -10.113 10.222 6.211
94 HA ARG 17 HA ARG 17 -10.803 12.870 4.906
95 1HB ARG 17 HB2 ARG 17 -9.120 13.067 7.355
96 2HB ARG 17 HB3 ARG 17 -10.132 14.250 6.607
97 1HG ARG 17 HG2 ARG 17 -11.264 11.813 8.064
98 2HG ARG 17 HG3 ARG 17 -10.862 13.310 8.877
99 1HD ARG 17 HD2 ARG 17 -12.792 13.191 6.540
100 2HD ARG 17 HD3 ARG 17 -13.288 12.986 8.231
101 HE ARG 17 HE ARG 17 -11.830 15.320 8.268
102 HH1 ARG 17 HH1 ARG 17 -12.696 17.380 8.137
103 HH1 ARG 17 HH1 ARG 17 -14.225 17.630 7.351
104 HH2 ARG 17 HH2 ARG 17 -15.359 15.907 6.445
105 HH2 ARG 17 HH2 ARG 17 -14.677 14.303 6.549
106 H CYS 18 H CYS 18 -9.518 13.949 3.595
107 HA CYS 18 HA CYS 18 -6.676 13.049 3.520
108 1HB CYS 18 HB2 CYS 18 -6.477 13.225 1.423
109 2HB CYS 18 HB3 CYS 18 -8.183 12.918 1.379
110 H ILE 19 H ILE 19 -5.340 14.178 4.555
111 HA ILE 19 HA ILE 19 -5.349 17.148 4.411
112 HB ILE 19 HB ILE 19 -4.446 16.999 6.876
113 HG2 ILE 19 HG2 ILE 19 -7.418 16.979 6.285
114 HG2 ILE 19 HG2 ILE 19 -6.649 17.560 7.784
115 HG2 ILE 19 HG2 ILE 19 -6.317 18.370 6.244
116 HG1 ILE 19 HG1 ILE 19 -4.752 14.408 6.838
117 HG1 ILE 19 HG1 ILE 19 -5.037 15.327 8.293
118 HD1 ILE 19 HD1 ILE 19 -7.269 14.348 6.501
119 HD1 ILE 19 HD1 ILE 19 -6.686 13.566 7.980
120 HD1 ILE 19 HD1 ILE 19 -7.430 15.167 8.072
121 H GLN 20 H GLN 20 -3.101 17.840 5.186
122 HA GLN 20 HA GLN 20 -1.267 16.157 3.693
123 1HB GLN 20 HB2 GLN 20 0.186 18.185 3.710
124 2HB GLN 20 HB3 GLN 20 -1.389 18.490 3.027
125 1HG GLN 20 HG2 GLN 20 -0.775 19.104 5.935
126 2HG GLN 20 HG3 GLN 20 -0.277 20.206 4.659
127 HE2 GLN 20 HE2 GLN 20 -3.040 19.416 3.200
128 HE2 GLN 20 HE2 GLN 20 -4.114 20.477 4.122
129 H GLU 21 H GLU 21 0.831 15.810 4.186
130 HA GLU 21 HA GLU 21 1.160 14.299 6.518
131 1HB GLU 21 HB2 GLU 21 2.170 13.783 4.432
132 2HB GLU 21 HB3 GLU 21 3.120 15.269 4.406
133 1HG GLU 21 HG2 GLU 21 4.676 14.484 5.920
134 2HG GLU 21 HG3 GLU 21 3.578 13.365 6.686
135 H ARG 22 H ARG 22 1.780 17.696 6.281
136 HA ARG 22 HA ARG 22 3.471 18.231 8.477
137 1HB ARG 22 HB2 ARG 22 2.544 19.984 7.126
138 2HB ARG 22 HB3 ARG 22 0.893 19.436 7.410
139 1HG ARG 22 HG2 ARG 22 1.096 20.074 9.826
140 2HG ARG 22 HG3 ARG 22 2.726 20.705 9.468
141 1HD ARG 22 HD2 ARG 22 1.683 22.628 9.035
142 2HD ARG 22 HD3 ARG 22 1.198 21.920 7.498
143 HE ARG 22 HE ARG 22 -0.709 21.120 9.440
144 HH1 ARG 22 HH1 ARG 22 -2.648 22.139 9.825
145 HH1 ARG 22 HH1 ARG 22 -2.909 23.765 9.266
146 HH2 ARG 22 HH2 ARG 22 -1.304 24.864 8.140
147 HH2 ARG 22 HH2 ARG 22 0.233 24.082 7.864
148 H TRP 23 H TRP 23 0.180 16.783 8.482
149 HA TRP 23 HA TRP 23 -0.008 17.233 11.350
150 1HB TRP 23 HB2 TRP 23 -1.978 16.081 9.411
151 2HB TRP 23 HB3 TRP 23 -2.240 16.523 11.084
152 HD1 TRP 23 HD1 TRP 23 -0.991 18.515 8.092
153 HE1 TRP 23 HE1 TRP 23 -2.638 20.417 7.624
154 HE3 TRP 23 HE3 TRP 23 -3.721 18.158 12.337
155 HZ2 TRP 23 HZ2 TRP 23 -4.922 21.602 8.941
156 HZ3 TRP 23 HZ3 TRP 23 -5.615 19.712 12.759
157 HH2 TRP 23 HH2 TRP 23 -6.256 21.408 11.054
158 H LYS 24 H LYS 24 1.578 14.810 9.552
159 HA LYS 24 HA LYS 24 0.710 12.533 11.139
160 1HB LYS 24 HB2 LYS 24 2.900 13.036 9.055
161 2HB LYS 24 HB3 LYS 24 2.637 11.485 9.811
162 1HG LYS 24 HG2 LYS 24 0.335 11.371 8.841
163 2HG LYS 24 HG3 LYS 24 0.552 12.979 8.205
164 1HD LYS 24 HD2 LYS 24 1.574 12.232 6.377
165 2HD LYS 24 HD3 LYS 24 2.775 11.344 7.314
166 1HE LYS 24 HE2 LYS 24 1.481 9.367 7.275
167 2HE LYS 24 HE3 LYS 24 0.047 10.210 6.645
168 1HZ LYS 24 HZ1 LYS 24 2.528 10.437 5.101
169 2HZ LYS 24 HZ2 LYS 24 1.700 8.996 4.986
170 3HZ LYS 24 HZ3 LYS 24 0.994 10.422 4.564
171 H CYS 25 H CYS 25 1.151 12.890 13.223
172 HA CYS 25 HA CYS 25 2.121 13.468 15.091
173 1HB CYS 25 HB2 CYS 25 4.405 12.970 15.645
174 2HB CYS 25 HB3 CYS 25 3.413 11.619 15.133
175 H ASP 26 H ASP 26 1.360 15.475 13.941
176 HA ASP 26 HA ASP 26 3.266 17.440 15.063
177 1HB ASP 26 HB2 ASP 26 1.144 18.885 15.120
178 2HB ASP 26 HB3 ASP 26 1.796 18.532 13.513
179 H GLY 27 H GLY 27 0.798 15.032 15.939
180 1HA GLY 27 HA1 GLY 27 0.372 14.355 18.171
181 2HA GLY 27 HA2 GLY 27 0.979 15.886 18.787
182 H ASP 28 H ASP 28 -1.150 16.296 16.004
183 HA ASP 28 HA ASP 28 -3.365 16.997 17.897
184 1HB ASP 28 HB2 ASP 28 -2.665 18.837 16.404
185 2HB ASP 28 HB3 ASP 28 -3.103 17.852 15.005
186 H ASN 29 H ASN 29 -5.164 16.054 17.845
187 HA ASN 29 HA ASN 29 -5.852 13.515 17.652
188 1HB ASN 29 HB2 ASN 29 -7.729 15.774 16.758
189 2HB ASN 29 HB3 ASN 29 -8.184 14.259 17.437
190 HD2 ASN 29 HD2 ASN 29 -6.447 17.388 18.273
191 HD2 ASN 29 HD2 ASN 29 -6.859 17.153 19.985
192 H ASP 30 H ASP 30 -4.951 14.501 14.509
193 HA ASP 30 HA ASP 30 -7.047 16.186 14.628
194 1HB ASP 30 HB2 ASP 30 -6.011 17.199 12.719
195 2HB ASP 30 HB3 ASP 30 -4.765 16.550 13.783
196 H CYS 31 H CYS 31 -6.673 13.421 12.911
197 HA CYS 31 HA CYS 31 -8.810 13.117 11.159
198 1HB CYS 31 HB2 CYS 31 -6.743 11.835 11.337
199 2HB CYS 31 HB3 CYS 31 -7.122 11.342 12.979
200 H LEU 32 H LEU 32 -8.870 13.124 14.613
201 HA LEU 32 HA LEU 32 -10.475 12.946 16.163
202 1HB LEU 32 HB2 LEU 32 -12.362 13.932 15.639
203 2HB LEU 32 HB3 LEU 32 -11.825 13.931 13.982
204 HG LEU 32 HG LEU 32 -12.986 11.528 13.861
205 HD1 LEU 32 HD1 LEU 32 -13.674 11.496 16.280
206 HD1 LEU 32 HD1 LEU 32 -14.618 12.971 16.006
207 HD1 LEU 32 HD1 LEU 32 -15.055 11.459 15.179
208 HD2 LEU 32 HD2 LEU 32 -15.020 12.639 13.052
209 HD2 LEU 32 HD2 LEU 32 -14.494 14.167 13.800
210 HD2 LEU 32 HD2 LEU 32 -13.559 13.442 12.469
211 H ASP 33 H ASP 33 -10.455 10.535 13.709
212 HA ASP 33 HA ASP 33 -11.081 8.242 15.464
213 1HB ASP 33 HB2 ASP 33 -11.526 7.668 13.287
214 2HB ASP 33 HB3 ASP 33 -10.345 8.762 12.618
215 H ASN 34 H ASN 34 -8.544 10.468 14.932
216 HA ASN 34 HA ASN 34 -6.365 10.622 15.439
217 1HB ASN 34 HB2 ASN 34 -7.505 10.546 17.662
218 2HB ASN 34 HB3 ASN 34 -7.208 8.813 17.751
219 HD2 ASN 34 HD2 ASN 34 -4.751 8.288 17.379
220 HD2 ASN 34 HD2 ASN 34 -3.689 9.238 18.465
221 H SER 35 H SER 35 -6.127 9.475 13.350
222 HA SER 35 HA SER 35 -5.174 6.725 13.471
223 1HB SER 35 HB2 SER 35 -5.514 8.799 11.269
224 2HB SER 35 HB3 SER 35 -4.554 7.351 10.995
225 HG SER 35 HG SER 35 -7.304 7.118 11.921
226 H ASP 36 H ASP 36 -3.970 9.858 12.596
227 HA ASP 36 HA ASP 36 -1.373 9.517 12.103
228 1HB ASP 36 HB2 ASP 36 -1.407 12.031 13.014
229 2HB ASP 36 HB3 ASP 36 -2.126 11.569 11.499
230 H GLU 37 H GLU 37 -2.717 10.713 15.043
231 HA GLU 37 HA GLU 37 -0.292 10.355 16.519
232 1HB GLU 37 HB2 GLU 37 -2.925 11.327 17.610
233 2HB GLU 37 HB3 GLU 37 -1.277 11.726 18.130
234 1HG GLU 37 HG2 GLU 37 -2.599 12.443 15.509
235 2HG GLU 37 HG3 GLU 37 -2.285 13.535 16.879
236 H ALA 38 H ALA 38 -2.072 7.796 15.662
237 HA ALA 38 HA ALA 38 -1.127 6.548 18.154
238 1HB ALA 38 HB1 ALA 38 -2.580 4.664 17.359
239 2HB ALA 38 HB2 ALA 38 -3.519 6.143 17.677
240 3HB ALA 38 HB3 ALA 38 -3.121 5.693 16.008
241 HA PRO 39 HA PRO 39 2.258 5.465 15.462
242 1HB PRO 39 HB2 PRO 39 3.445 3.417 16.828
243 2HB PRO 39 HB3 PRO 39 3.372 5.091 17.442
244 1HG PRO 39 HG2 PRO 39 1.474 2.806 18.082
245 2HG PRO 39 HG3 PRO 39 2.360 3.859 19.237
246 1HD PRO 39 HD2 PRO 39 -0.199 4.395 18.535
247 2HD PRO 39 HD3 PRO 39 0.988 5.720 18.733
248 H ALA 40 H ALA 40 -0.360 4.178 14.921
249 HA ALA 40 HA ALA 40 0.379 1.897 13.161
250 1HB ALA 40 HB1 ALA 40 -2.157 3.595 13.386
251 2HB ALA 40 HB2 ALA 40 -1.924 2.209 12.299
252 3HB ALA 40 HB3 ALA 40 -1.934 1.962 14.057
253 H LEU 41 H LEU 41 0.240 5.394 13.392
254 HA LEU 41 HA LEU 41 1.236 5.682 10.609
255 1HB LEU 41 HB2 LEU 41 -1.016 6.577 11.020
256 2HB LEU 41 HB3 LEU 41 -0.421 7.603 12.302
257 HG LEU 41 HG LEU 41 0.965 7.770 9.620
258 HD1 LEU 41 HD1 LEU 41 -1.352 7.668 8.942
259 HD1 LEU 41 HD1 LEU 41 -1.776 8.969 10.066
260 HD1 LEU 41 HD1 LEU 41 -0.706 9.297 8.692
261 HD2 LEU 41 HD2 LEU 41 0.255 10.337 10.653
262 HD2 LEU 41 HD2 LEU 41 0.877 9.435 11.982
263 HD2 LEU 41 HD2 LEU 41 1.866 9.571 10.530
264 H CYS 42 H CYS 42 1.228 8.020 13.472
265 HA CYS 42 HA CYS 42 4.128 7.395 13.677
266 1HB CYS 42 HB2 CYS 42 3.891 9.347 12.179
267 2HB CYS 42 HB3 CYS 42 2.989 10.185 13.432
268 H HIS 43 H HIS 43 1.684 9.551 15.249
269 HA HIS 43 HA HIS 43 1.609 10.445 17.310
270 1HB HIS 43 HB2 HIS 43 0.963 8.075 17.881
271 2HB HIS 43 HB3 HIS 43 2.636 7.708 18.234
272 HD1 HIS 43 HD1 HIS 43 -0.321 9.514 19.726
273 HD2 HIS 43 HD2 HIS 43 3.709 8.621 20.532
274 HE1 HIS 43 HE1 HIS 43 0.126 10.218 22.179
275 H GLN 44 H GLN 44 4.648 8.597 17.300
276 HA GLN 44 HA GLN 44 6.700 8.943 18.139
277 1HB GLN 44 HB2 GLN 44 6.649 10.780 16.443
278 2HB GLN 44 HB3 GLN 44 6.271 11.924 17.736
279 1HG GLN 44 HG2 GLN 44 8.388 11.237 18.900
280 2HG GLN 44 HG3 GLN 44 8.759 10.162 17.546
281 HE2 GLN 44 HE2 GLN 44 8.086 11.840 15.278
282 HE2 GLN 44 HE2 GLN 44 9.189 13.215 15.415
283 H HIS 45 H HIS 45 4.882 11.672 19.536
284 HA HIS 45 HA HIS 45 4.846 10.458 22.170
285 1HB HIS 45 HB2 HIS 45 7.108 11.430 22.241
286 2HB HIS 45 HB3 HIS 45 6.465 13.012 21.805
287 HD1 HIS 45 HD1 HIS 45 4.739 14.067 23.680
288 HD2 HIS 45 HD2 HIS 45 7.109 10.799 24.825
289 HE1 HIS 45 HE1 HIS 45 4.808 14.071 26.281
Start of MODEL 4
1 H GLY 1 H GLY 1 -1.085 9.242 3.976
2 1HA GLY 1 HA1 GLY 1 -0.013 8.128 5.771
3 2HA GLY 1 HA2 GLY 1 -1.474 7.178 6.069
4 H SER 2 H SER 2 -1.257 6.836 2.940
5 HA SER 2 HA SER 2 1.064 5.320 2.331
6 1HB SER 2 HB2 SER 2 -1.346 3.627 3.066
7 2HB SER 2 HB3 SER 2 -0.071 3.060 1.964
8 HG SER 2 HG SER 2 0.609 4.223 4.447
9 HA PRO 3 HA PRO 3 -1.779 5.431 -1.470
10 1HB PRO 3 HB2 PRO 3 -4.397 6.244 -1.322
11 2HB PRO 3 HB3 PRO 3 -3.891 4.541 -1.098
12 1HG PRO 3 HG2 PRO 3 -4.443 6.620 1.043
13 2HG PRO 3 HG3 PRO 3 -5.069 4.945 0.943
14 1HD PRO 3 HD2 PRO 3 -2.912 5.589 2.457
15 2HD PRO 3 HD3 PRO 3 -2.994 4.035 1.576
16 HA PRO 4 HA PRO 4 -1.184 9.852 -1.731
17 1HB PRO 4 HB2 PRO 4 -1.722 10.396 -4.351
18 2HB PRO 4 HB3 PRO 4 -0.445 9.224 -3.909
19 1HG PRO 4 HG2 PRO 4 -3.322 8.575 -4.630
20 2HG PRO 4 HG3 PRO 4 -1.822 7.915 -5.365
21 1HD PRO 4 HD2 PRO 4 -3.114 6.622 -3.346
22 2HD PRO 4 HD3 PRO 4 -1.327 6.636 -3.446
23 H GLN 5 H GLN 5 -3.142 9.625 -0.222
24 HA GLN 5 HA GLN 5 -5.713 9.728 -1.171
25 1HB GLN 5 HB2 GLN 5 -4.817 8.879 0.983
26 2HB GLN 5 HB3 GLN 5 -4.730 10.524 1.604
27 1HG GLN 5 HG2 GLN 5 -6.760 9.337 2.417
28 2HG GLN 5 HG3 GLN 5 -7.154 10.778 1.518
29 HE2 GLN 5 HE2 GLN 5 -8.017 10.534 -0.701
30 HE2 GLN 5 HE2 GLN 5 -8.813 8.980 -1.076
31 H CYS 6 H CYS 6 -3.773 12.451 -0.522
32 HA CYS 6 HA CYS 6 -6.007 14.346 -1.155
33 1HB CYS 6 HB2 CYS 6 -4.423 14.321 1.204
34 2HB CYS 6 HB3 CYS 6 -3.749 15.608 0.235
35 H GLN 7 H GLN 7 -2.457 14.027 -1.061
36 HA GLN 7 HA GLN 7 -2.188 14.428 -3.936
37 1HB GLN 7 HB2 GLN 7 -0.393 15.902 -1.953
38 2HB GLN 7 HB3 GLN 7 -0.424 16.052 -3.702
39 1HG GLN 7 HG2 GLN 7 -2.890 16.895 -3.367
40 2HG GLN 7 HG3 GLN 7 -2.385 17.150 -1.698
41 HE2 GLN 7 HE2 GLN 7 -1.766 18.137 -5.118
42 HE2 GLN 7 HE2 GLN 7 -0.918 19.602 -4.590
43 HA PRO 8 HA PRO 8 0.538 11.013 -3.176
44 1HB PRO 8 HB2 PRO 8 2.597 11.134 -4.948
45 2HB PRO 8 HB3 PRO 8 0.892 10.954 -5.451
46 1HG PRO 8 HG2 PRO 8 2.499 13.523 -5.280
47 2HG PRO 8 HG3 PRO 8 1.535 12.915 -6.664
48 1HD PRO 8 HD2 PRO 8 0.544 14.705 -4.902
49 2HD PRO 8 HD3 PRO 8 -0.505 13.428 -5.584
50 H GLY 9 H GLY 9 0.817 12.013 -1.049
51 1HA GLY 9 HA1 GLY 9 3.089 11.236 0.252
52 2HA GLY 9 HA2 GLY 9 3.552 12.852 -0.296
53 H GLU 10 H GLU 10 0.472 11.533 1.049
54 HA GLU 10 HA GLU 10 0.428 13.740 3.040
55 1HB GLU 10 HB2 GLU 10 -1.661 13.055 0.940
56 2HB GLU 10 HB3 GLU 10 -1.984 14.142 2.277
57 1HG GLU 10 HG2 GLU 10 0.222 14.642 0.218
58 2HG GLU 10 HG3 GLU 10 -1.420 15.231 0.111
59 H PHE 11 H PHE 11 -2.074 13.413 4.300
60 HA PHE 11 HA PHE 11 -1.790 10.793 5.433
61 1HB PHE 11 HB2 PHE 11 -1.011 12.339 6.908
62 2HB PHE 11 HB3 PHE 11 -2.303 13.452 6.678
63 HD1 PHE 11 HD1 PHE 11 -2.574 9.696 7.292
64 HD2 PHE 11 HD2 PHE 11 -3.058 13.658 8.962
65 HE1 PHE 11 HE1 PHE 11 -3.907 8.767 9.135
66 HE2 PHE 11 HE2 PHE 11 -4.358 12.682 10.807
67 HZ PHE 11 HZ PHE 11 -4.831 10.289 10.889
68 H ALA 12 H ALA 12 -3.227 9.424 5.229
69 HA ALA 12 HA ALA 12 -6.058 10.012 4.647
70 1HB ALA 12 HB1 ALA 12 -4.742 8.359 3.252
71 2HB ALA 12 HB2 ALA 12 -4.481 7.378 4.696
72 3HB ALA 12 HB3 ALA 12 -6.129 7.607 4.076
73 H CYS 13 H CYS 13 -7.218 10.343 6.421
74 HA CYS 13 HA CYS 13 -6.707 9.134 9.059
75 1HB CYS 13 HB2 CYS 13 -7.323 11.458 8.833
76 2HB CYS 13 HB3 CYS 13 -8.736 11.004 7.881
77 H ALA 14 H ALA 14 -7.694 7.242 9.727
78 HA ALA 14 HA ALA 14 -9.638 5.832 8.259
79 1HB ALA 14 HB1 ALA 14 -9.795 4.425 10.232
80 2HB ALA 14 HB2 ALA 14 -8.099 4.869 9.944
81 3HB ALA 14 HB3 ALA 14 -9.029 5.670 11.230
82 H ASN 15 H ASN 15 -10.305 8.694 10.163
83 HA ASN 15 HA ASN 15 -13.129 8.032 10.577
84 1HB ASN 15 HB2 ASN 15 -12.115 9.825 11.913
85 2HB ASN 15 HB3 ASN 15 -11.774 10.776 10.478
86 HD2 ASN 15 HD2 ASN 15 -14.495 9.371 12.378
87 HD2 ASN 15 HD2 ASN 15 -15.605 10.617 11.793
88 H SER 16 H SER 16 -11.204 9.142 7.934
89 HA SER 16 HA SER 16 -11.762 8.261 5.796
90 1HB SER 16 HB2 SER 16 -14.431 9.693 5.927
91 2HB SER 16 HB3 SER 16 -13.787 8.735 4.580
92 HG SER 16 HG SER 16 -14.463 7.907 7.179
93 H ARG 17 H ARG 17 -10.082 10.050 6.443
94 HA ARG 17 HA ARG 17 -10.785 12.588 4.935
95 1HB ARG 17 HB2 ARG 17 -9.113 12.948 7.383
96 2HB ARG 17 HB3 ARG 17 -10.105 14.084 6.540
97 1HG ARG 17 HG2 ARG 17 -11.188 11.783 8.233
98 2HG ARG 17 HG3 ARG 17 -10.936 13.418 8.812
99 1HD ARG 17 HD2 ARG 17 -12.818 12.672 6.547
100 2HD ARG 17 HD3 ARG 17 -13.297 12.915 8.229
101 HE ARG 17 HE ARG 17 -12.009 15.248 7.648
102 HH1 ARG 17 HH1 ARG 17 -12.955 17.126 6.855
103 HH1 ARG 17 HH1 ARG 17 -14.424 17.031 5.934
104 HH2 ARG 17 HH2 ARG 17 -15.396 15.052 5.492
105 HH2 ARG 17 HH2 ARG 17 -14.646 13.594 6.088
106 H CYS 18 H CYS 18 -9.507 13.685 3.651
107 HA CYS 18 HA CYS 18 -6.649 12.851 3.629
108 1HB CYS 18 HB2 CYS 18 -6.385 13.254 1.546
109 2HB CYS 18 HB3 CYS 18 -8.061 12.828 1.424
110 H ILE 19 H ILE 19 -5.364 13.974 4.730
111 HA ILE 19 HA ILE 19 -5.429 16.953 4.713
112 HB ILE 19 HB ILE 19 -4.605 16.807 7.141
113 HG2 ILE 19 HG2 ILE 19 -7.544 16.251 6.539
114 HG2 ILE 19 HG2 ILE 19 -6.919 16.828 8.090
115 HG2 ILE 19 HG2 ILE 19 -6.737 17.828 6.635
116 HG1 ILE 19 HG1 ILE 19 -4.436 14.217 6.987
117 HG1 ILE 19 HG1 ILE 19 -4.884 14.992 8.474
118 HD1 ILE 19 HD1 ILE 19 -6.915 13.697 6.649
119 HD1 ILE 19 HD1 ILE 19 -6.110 12.939 8.025
120 HD1 ILE 19 HD1 ILE 19 -7.171 14.334 8.292
121 H GLN 20 H GLN 20 -3.204 17.643 5.598
122 HA GLN 20 HA GLN 20 -1.347 16.191 3.943
123 1HB GLN 20 HB2 GLN 20 -0.017 18.297 4.073
124 2HB GLN 20 HB3 GLN 20 -1.683 18.570 3.547
125 1HG GLN 20 HG2 GLN 20 -2.312 19.416 5.752
126 2HG GLN 20 HG3 GLN 20 -0.732 18.982 6.405
127 HE2 GLN 20 HE2 GLN 20 -0.610 20.442 3.214
128 HE2 GLN 20 HE2 GLN 20 -0.114 22.016 3.844
129 H GLU 21 H GLU 21 0.687 15.710 4.367
130 HA GLU 21 HA GLU 21 1.192 14.035 6.527
131 1HB GLU 21 HB2 GLU 21 2.133 13.761 4.402
132 2HB GLU 21 HB3 GLU 21 2.983 15.302 4.449
133 1HG GLU 21 HG2 GLU 21 4.708 14.485 5.629
134 2HG GLU 21 HG3 GLU 21 3.763 13.435 6.622
135 H ARG 22 H ARG 22 1.703 17.421 6.550
136 HA ARG 22 HA ARG 22 3.581 17.733 8.725
137 1HB ARG 22 HB2 ARG 22 3.042 19.685 7.582
138 2HB ARG 22 HB3 ARG 22 1.320 19.334 7.569
139 1HG ARG 22 HG2 ARG 22 1.209 19.781 10.025
140 2HG ARG 22 HG3 ARG 22 2.926 20.249 10.000
141 1HD ARG 22 HD2 ARG 22 2.488 22.232 8.889
142 2HD ARG 22 HD3 ARG 22 1.159 21.531 7.967
143 HE ARG 22 HE ARG 22 0.885 22.104 10.883
144 HH1 ARG 22 HH1 ARG 22 -1.003 22.975 11.600
145 HH1 ARG 22 HH1 ARG 22 -2.218 23.496 10.480
146 HH2 ARG 22 HH2 ARG 22 -1.891 23.374 8.296
147 HH2 ARG 22 HH2 ARG 22 -0.533 22.519 7.617
148 H TRP 23 H TRP 23 0.229 16.581 8.711
149 HA TRP 23 HA TRP 23 -0.088 16.961 11.581
150 1HB TRP 23 HB2 TRP 23 -1.962 15.832 9.488
151 2HB TRP 23 HB3 TRP 23 -2.358 16.416 11.097
152 HD1 TRP 23 HD1 TRP 23 -0.309 18.761 8.937
153 HE1 TRP 23 HE1 TRP 23 -1.660 20.750 8.181
154 HE3 TRP 23 HE3 TRP 23 -4.960 17.084 10.156
155 HZ2 TRP 23 HZ2 TRP 23 -4.383 21.601 8.206
156 HZ3 TRP 23 HZ3 TRP 23 -6.923 18.534 9.837
157 HH2 TRP 23 HH2 TRP 23 -6.662 20.802 8.847
158 H LYS 24 H LYS 24 1.496 14.550 9.686
159 HA LYS 24 HA LYS 24 0.704 12.284 11.311
160 1HB LYS 24 HB2 LYS 24 2.878 12.749 9.201
161 2HB LYS 24 HB3 LYS 24 2.512 11.204 9.908
162 1HG LYS 24 HG2 LYS 24 0.202 11.278 8.903
163 2HG LYS 24 HG3 LYS 24 0.583 12.878 8.294
164 1HD LYS 24 HD2 LYS 24 1.016 11.516 6.413
165 2HD LYS 24 HD3 LYS 24 2.587 11.818 7.129
166 1HE LYS 24 HE2 LYS 24 2.291 9.542 8.331
167 2HE LYS 24 HE3 LYS 24 0.980 9.285 7.164
168 1HZ LYS 24 HZ1 LYS 24 3.857 9.496 6.688
169 2HZ LYS 24 HZ2 LYS 24 2.758 8.542 5.901
170 3HZ LYS 24 HZ3 LYS 24 2.944 10.170 5.563
171 H CYS 25 H CYS 25 1.270 12.598 13.330
172 HA CYS 25 HA CYS 25 2.332 13.284 15.150
173 1HB CYS 25 HB2 CYS 25 4.630 12.781 15.558
174 2HB CYS 25 HB3 CYS 25 3.600 11.419 15.125
175 H ASP 26 H ASP 26 1.553 15.282 14.020
176 HA ASP 26 HA ASP 26 3.514 17.235 15.054
177 1HB ASP 26 HB2 ASP 26 1.349 18.589 15.388
178 2HB ASP 26 HB3 ASP 26 1.894 18.364 13.717
179 H GLY 27 H GLY 27 1.087 14.784 16.060
180 1HA GLY 27 HA1 GLY 27 1.135 13.963 18.327
181 2HA GLY 27 HA2 GLY 27 1.644 15.546 18.890
182 H ASP 28 H ASP 28 -0.997 15.547 16.497
183 HA ASP 28 HA ASP 28 -2.896 15.466 18.781
184 1HB ASP 28 HB2 ASP 28 -2.370 17.875 18.217
185 2HB ASP 28 HB3 ASP 28 -3.227 17.618 16.696
186 H ASN 29 H ASN 29 -4.979 15.054 18.397
187 HA ASN 29 HA ASN 29 -5.609 13.029 16.413
188 1HB ASN 29 HB2 ASN 29 -7.903 14.191 17.887
189 2HB ASN 29 HB3 ASN 29 -7.426 12.561 17.622
190 HD2 ASN 29 HD2 ASN 29 -6.058 15.416 19.705
191 HD2 ASN 29 HD2 ASN 29 -5.987 14.270 21.041
192 H ASP 30 H ASP 30 -4.838 14.936 14.875
193 HA ASP 30 HA ASP 30 -6.635 16.945 13.978
194 1HB ASP 30 HB2 ASP 30 -5.031 17.182 12.322
195 2HB ASP 30 HB3 ASP 30 -4.114 16.459 13.632
196 H CYS 31 H CYS 31 -6.349 13.565 13.422
197 HA CYS 31 HA CYS 31 -8.405 13.264 11.475
198 1HB CYS 31 HB2 CYS 31 -6.449 11.860 11.643
199 2HB CYS 31 HB3 CYS 31 -6.861 11.391 13.287
200 H LEU 32 H LEU 32 -8.800 13.792 14.794
201 HA LEU 32 HA LEU 32 -10.395 13.502 16.307
202 1HB LEU 32 HB2 LEU 32 -12.389 14.226 15.679
203 2HB LEU 32 HB3 LEU 32 -11.667 14.332 14.091
204 HG LEU 32 HG LEU 32 -12.649 11.868 13.780
205 HD1 LEU 32 HD1 LEU 32 -14.809 11.595 14.912
206 HD1 LEU 32 HD1 LEU 32 -13.522 11.639 16.117
207 HD1 LEU 32 HD1 LEU 32 -14.532 13.071 15.859
208 HD2 LEU 32 HD2 LEU 32 -13.265 13.805 12.434
209 HD2 LEU 32 HD2 LEU 32 -14.713 12.902 12.888
210 HD2 LEU 32 HD2 LEU 32 -14.317 14.413 13.736
211 H ASP 33 H ASP 33 -10.258 10.855 14.057
212 HA ASP 33 HA ASP 33 -11.239 8.739 15.841
213 1HB ASP 33 HB2 ASP 33 -11.581 8.133 13.662
214 2HB ASP 33 HB3 ASP 33 -10.269 9.107 13.048
215 H ASN 34 H ASN 34 -8.370 10.463 15.266
216 HA ASN 34 HA ASN 34 -6.218 10.381 15.818
217 1HB ASN 34 HB2 ASN 34 -7.193 10.276 18.150
218 2HB ASN 34 HB3 ASN 34 -6.986 8.525 18.104
219 HD2 ASN 34 HD2 ASN 34 -5.608 11.009 19.613
220 HD2 ASN 34 HD2 ASN 34 -3.916 10.479 19.414
221 H SER 35 H SER 35 -5.591 9.523 13.901
222 HA SER 35 HA SER 35 -5.008 6.609 13.877
223 1HB SER 35 HB2 SER 35 -5.712 8.589 11.701
224 2HB SER 35 HB3 SER 35 -4.707 7.198 11.324
225 HG SER 35 HG SER 35 -7.382 7.043 12.502
226 H ASP 36 H ASP 36 -3.805 9.701 12.784
227 HA ASP 36 HA ASP 36 -1.150 9.426 12.247
228 1HB ASP 36 HB2 ASP 36 -1.263 11.832 13.324
229 2HB ASP 36 HB3 ASP 36 -2.039 11.495 11.807
230 H GLU 37 H GLU 37 -2.491 10.477 15.283
231 HA GLU 37 HA GLU 37 -0.025 9.926 16.661
232 1HB GLU 37 HB2 GLU 37 -2.539 10.969 17.931
233 2HB GLU 37 HB3 GLU 37 -0.842 11.269 18.345
234 1HG GLU 37 HG2 GLU 37 -2.270 12.163 15.835
235 2HG GLU 37 HG3 GLU 37 -1.903 13.148 17.232
236 H ALA 38 H ALA 38 -2.007 7.490 15.766
237 HA ALA 38 HA ALA 38 -1.318 6.098 18.253
238 1HB ALA 38 HB1 ALA 38 -3.104 5.438 15.866
239 2HB ALA 38 HB2 ALA 38 -2.789 4.352 17.243
240 3HB ALA 38 HB3 ALA 38 -3.669 5.886 17.483
241 HA PRO 39 HA PRO 39 2.288 4.954 15.860
242 1HB PRO 39 HB2 PRO 39 3.179 2.752 17.225
243 2HB PRO 39 HB3 PRO 39 3.162 4.398 17.917
244 1HG PRO 39 HG2 PRO 39 1.045 2.239 18.237
245 2HG PRO 39 HG3 PRO 39 1.883 3.161 19.532
246 1HD PRO 39 HD2 PRO 39 -0.537 3.936 18.621
247 2HD PRO 39 HD3 PRO 39 0.722 5.156 18.983
248 H ALA 40 H ALA 40 -0.312 3.915 14.985
249 HA ALA 40 HA ALA 40 0.404 1.602 13.240
250 1HB ALA 40 HB1 ALA 40 -2.088 3.376 13.365
251 2HB ALA 40 HB2 ALA 40 -1.840 2.002 12.265
252 3HB ALA 40 HB3 ALA 40 -1.952 1.723 14.014
253 H LEU 41 H LEU 41 0.387 5.096 13.539
254 HA LEU 41 HA LEU 41 1.388 5.398 10.754
255 1HB LEU 41 HB2 LEU 41 -0.874 6.271 11.178
256 2HB LEU 41 HB3 LEU 41 -0.276 7.333 12.431
257 HG LEU 41 HG LEU 41 1.033 7.431 9.701
258 HD1 LEU 41 HD1 LEU 41 -1.637 8.721 10.284
259 HD1 LEU 41 HD1 LEU 41 -0.632 9.022 8.854
260 HD1 LEU 41 HD1 LEU 41 -1.324 7.415 9.129
261 HD2 LEU 41 HD2 LEU 41 0.958 9.189 12.054
262 HD2 LEU 41 HD2 LEU 41 2.120 9.069 10.730
263 HD2 LEU 41 HD2 LEU 41 0.619 10.017 10.570
264 H CYS 42 H CYS 42 1.387 7.746 13.595
265 HA CYS 42 HA CYS 42 4.298 7.144 13.766
266 1HB CYS 42 HB2 CYS 42 4.015 9.052 12.252
267 2HB CYS 42 HB3 CYS 42 3.127 9.915 13.501
268 H HIS 43 H HIS 43 1.986 9.391 15.399
269 HA HIS 43 HA HIS 43 1.952 10.190 17.499
270 1HB HIS 43 HB2 HIS 43 1.261 7.777 17.994
271 2HB HIS 43 HB3 HIS 43 2.927 7.427 18.387
272 HD1 HIS 43 HD1 HIS 43 -0.084 9.020 19.898
273 HD2 HIS 43 HD2 HIS 43 4.044 8.667 20.601
274 HE1 HIS 43 HE1 HIS 43 0.340 9.858 22.321
275 H GLN 44 H GLN 44 3.448 11.794 17.421
276 HA GLN 44 HA GLN 44 5.683 11.373 19.233
277 1HB GLN 44 HB2 GLN 44 6.620 10.731 16.950
278 2HB GLN 44 HB3 GLN 44 6.511 12.431 16.502
279 1HG GLN 44 HG2 GLN 44 7.997 13.049 18.371
280 2HG GLN 44 HG3 GLN 44 8.033 11.369 18.925
281 HE2 GLN 44 HE2 GLN 44 8.694 9.752 16.913
282 HE2 GLN 44 HE2 GLN 44 10.134 10.393 16.101
283 H HIS 45 H HIS 45 3.938 12.731 20.220
284 HA HIS 45 HA HIS 45 3.575 15.465 19.486
285 1HB HIS 45 HB2 HIS 45 2.086 14.091 20.977
286 2HB HIS 45 HB3 HIS 45 3.321 14.152 22.230
287 HD1 HIS 45 HD1 HIS 45 0.415 16.129 20.861
288 HD2 HIS 45 HD2 HIS 45 3.832 16.707 23.286
289 HE1 HIS 45 HE1 HIS 45 0.084 18.333 22.102
Start of MODEL 5
1 H GLY 1 H GLY 1 2.828 1.273 -6.012
2 1HA GLY 1 HA1 GLY 1 2.652 -0.337 -4.163
3 2HA GLY 1 HA2 GLY 1 4.270 0.370 -4.128
4 H SER 2 H SER 2 2.242 2.829 -3.219
5 HA SER 2 HA SER 2 1.898 2.069 -0.396
6 1HB SER 2 HB2 SER 2 3.091 4.055 0.425
7 2HB SER 2 HB3 SER 2 4.174 3.017 -0.512
8 HG SER 2 HG SER 2 4.402 5.205 -1.102
9 HA PRO 3 HA PRO 3 -1.687 4.604 -0.964
10 1HB PRO 3 HB2 PRO 3 -2.392 5.367 1.549
11 2HB PRO 3 HB3 PRO 3 -2.458 3.674 0.987
12 1HG PRO 3 HG2 PRO 3 -0.249 5.005 2.590
13 2HG PRO 3 HG3 PRO 3 -1.060 3.439 2.906
14 1HD PRO 3 HD2 PRO 3 1.329 3.617 1.593
15 2HD PRO 3 HD3 PRO 3 0.116 2.371 1.176
16 HA PRO 4 HA PRO 4 0.267 8.740 -1.157
17 1HB PRO 4 HB2 PRO 4 -1.494 9.957 -2.884
18 2HB PRO 4 HB3 PRO 4 -0.273 8.761 -3.409
19 1HG PRO 4 HG2 PRO 4 -3.210 8.305 -2.822
20 2HG PRO 4 HG3 PRO 4 -2.257 7.747 -4.232
21 1HD PRO 4 HD2 PRO 4 -2.764 6.149 -2.073
22 2HD PRO 4 HD3 PRO 4 -1.230 6.043 -2.988
23 H GLN 5 H GLN 5 -3.192 8.376 -0.722
24 HA GLN 5 HA GLN 5 -4.593 8.807 0.938
25 1HB GLN 5 HB2 GLN 5 -2.253 10.058 2.395
26 2HB GLN 5 HB3 GLN 5 -3.854 9.819 3.055
27 1HG GLN 5 HG2 GLN 5 -3.626 7.344 2.475
28 2HG GLN 5 HG3 GLN 5 -1.932 7.677 2.103
29 HE2 GLN 5 HE2 GLN 5 -2.197 5.731 3.909
30 HE2 GLN 5 HE2 GLN 5 -1.974 6.393 5.533
31 H CYS 6 H CYS 6 -3.013 11.644 -0.365
32 HA CYS 6 HA CYS 6 -5.664 12.945 -0.602
33 1HB CYS 6 HB2 CYS 6 -4.546 13.659 1.670
34 2HB CYS 6 HB3 CYS 6 -3.459 14.577 0.676
35 H GLN 7 H GLN 7 -2.233 13.490 -0.853
36 HA GLN 7 HA GLN 7 -2.277 13.923 -3.747
37 1HB GLN 7 HB2 GLN 7 -0.427 15.548 -1.987
38 2HB GLN 7 HB3 GLN 7 -0.956 15.847 -3.647
39 1HG GLN 7 HG2 GLN 7 -3.284 16.346 -2.722
40 2HG GLN 7 HG3 GLN 7 -2.591 16.281 -1.118
41 HE2 GLN 7 HE2 GLN 7 -0.896 17.877 -0.431
42 HE2 GLN 7 HE2 GLN 7 -0.858 19.376 -1.393
43 HA PRO 8 HA PRO 8 0.869 10.868 -3.316
44 1HB PRO 8 HB2 PRO 8 3.108 11.429 -4.744
45 2HB PRO 8 HB3 PRO 8 1.495 11.256 -5.488
46 1HG PRO 8 HG2 PRO 8 2.877 13.831 -4.668
47 2HG PRO 8 HG3 PRO 8 2.124 13.436 -6.248
48 1HD PRO 8 HD2 PRO 8 0.820 14.822 -4.301
49 2HD PRO 8 HD3 PRO 8 -0.054 13.683 -5.373
50 H GLY 9 H GLY 9 0.815 11.605 -0.937
51 1HA GLY 9 HA1 GLY 9 2.806 10.740 0.590
52 2HA GLY 9 HA2 GLY 9 3.523 12.284 0.109
53 H GLU 10 H GLU 10 0.214 11.351 1.292
54 HA GLU 10 HA GLU 10 0.383 13.653 3.201
55 1HB GLU 10 HB2 GLU 10 -1.750 12.887 1.193
56 2HB GLU 10 HB3 GLU 10 -2.014 14.133 2.392
57 1HG GLU 10 HG2 GLU 10 0.172 14.218 0.240
58 2HG GLU 10 HG3 GLU 10 -1.419 14.916 0.153
59 H PHE 11 H PHE 11 -2.310 13.495 4.358
60 HA PHE 11 HA PHE 11 -2.206 10.925 5.629
61 1HB PHE 11 HB2 PHE 11 -1.312 12.468 7.030
62 2HB PHE 11 HB3 PHE 11 -2.500 13.692 6.697
63 HD1 PHE 11 HD1 PHE 11 -3.015 10.047 7.617
64 HD2 PHE 11 HD2 PHE 11 -3.435 14.184 8.784
65 HE1 PHE 11 HE1 PHE 11 -4.521 9.372 9.457
66 HE2 PHE 11 HE2 PHE 11 -4.943 13.459 10.627
67 HZ PHE 11 HZ PHE 11 -5.513 11.109 10.937
68 H ALA 12 H ALA 12 -3.761 9.674 5.553
69 HA ALA 12 HA ALA 12 -6.566 10.502 5.040
70 1HB ALA 12 HB1 ALA 12 -5.221 7.792 4.888
71 2HB ALA 12 HB2 ALA 12 -6.952 8.091 4.643
72 3HB ALA 12 HB3 ALA 12 -5.785 8.805 3.529
73 H CYS 13 H CYS 13 -7.616 10.989 6.782
74 HA CYS 13 HA CYS 13 -7.324 9.759 9.444
75 1HB CYS 13 HB2 CYS 13 -8.016 12.107 9.090
76 2HB CYS 13 HB3 CYS 13 -9.413 11.523 8.172
77 H ALA 14 H ALA 14 -8.324 7.816 9.988
78 HA ALA 14 HA ALA 14 -10.119 6.384 8.337
79 1HB ALA 14 HB1 ALA 14 -9.804 6.279 11.360
80 2HB ALA 14 HB2 ALA 14 -10.505 5.024 10.326
81 3HB ALA 14 HB3 ALA 14 -8.781 5.425 10.184
82 H ASN 15 H ASN 15 -10.883 9.142 10.422
83 HA ASN 15 HA ASN 15 -13.755 8.634 10.417
84 1HB ASN 15 HB2 ASN 15 -12.373 10.141 12.014
85 2HB ASN 15 HB3 ASN 15 -12.521 11.398 10.809
86 HD2 ASN 15 HD2 ASN 15 -15.225 11.067 9.962
87 HD2 ASN 15 HD2 ASN 15 -16.226 11.286 11.422
88 H SER 16 H SER 16 -11.606 9.456 8.009
89 HA SER 16 HA SER 16 -12.045 8.955 5.850
90 1HB SER 16 HB2 SER 16 -14.832 10.130 6.117
91 2HB SER 16 HB3 SER 16 -14.123 9.442 4.654
92 HG SER 16 HG SER 16 -14.347 8.035 7.104
93 H ARG 17 H ARG 17 -10.445 10.662 6.531
94 HA ARG 17 HA ARG 17 -11.065 13.228 5.027
95 1HB ARG 17 HB2 ARG 17 -9.431 13.483 7.527
96 2HB ARG 17 HB3 ARG 17 -10.299 14.701 6.660
97 1HG ARG 17 HG2 ARG 17 -11.669 12.467 8.239
98 2HG ARG 17 HG3 ARG 17 -11.223 14.014 8.916
99 1HD ARG 17 HD2 ARG 17 -13.129 13.641 6.569
100 2HD ARG 17 HD3 ARG 17 -13.627 13.873 8.239
101 HE ARG 17 HE ARG 17 -12.789 15.892 6.365
102 HH1 ARG 17 HH1 ARG 17 -12.585 18.043 6.947
103 HH1 ARG 17 HH1 ARG 17 -12.538 18.479 8.628
104 HH2 ARG 17 HH2 ARG 17 -12.598 16.935 10.239
105 HH2 ARG 17 HH2 ARG 17 -12.764 15.258 9.808
106 H CYS 18 H CYS 18 -9.706 14.138 3.636
107 HA CYS 18 HA CYS 18 -6.893 13.218 3.815
108 1HB CYS 18 HB2 CYS 18 -6.506 13.087 1.820
109 2HB CYS 18 HB3 CYS 18 -8.230 12.794 1.658
110 H ILE 19 H ILE 19 -5.578 14.332 4.742
111 HA ILE 19 HA ILE 19 -5.419 17.276 4.404
112 HB ILE 19 HB ILE 19 -4.660 17.332 6.873
113 HG2 ILE 19 HG2 ILE 19 -6.928 17.855 7.679
114 HG2 ILE 19 HG2 ILE 19 -6.565 18.565 6.098
115 HG2 ILE 19 HG2 ILE 19 -7.611 17.134 6.201
116 HG1 ILE 19 HG1 ILE 19 -4.865 14.737 7.044
117 HG1 ILE 19 HG1 ILE 19 -5.215 15.760 8.417
118 HD1 ILE 19 HD1 ILE 19 -6.788 13.896 8.203
119 HD1 ILE 19 HD1 ILE 19 -7.597 15.469 8.165
120 HD1 ILE 19 HD1 ILE 19 -7.368 14.547 6.662
121 H GLN 20 H GLN 20 -3.209 17.878 5.274
122 HA GLN 20 HA GLN 20 -1.385 16.109 3.849
123 1HB GLN 20 HB2 GLN 20 0.045 18.185 3.765
124 2HB GLN 20 HB3 GLN 20 -1.539 18.376 3.028
125 1HG GLN 20 HG2 GLN 20 -1.171 19.163 5.926
126 2HG GLN 20 HG3 GLN 20 -0.525 20.216 4.662
127 HE2 GLN 20 HE2 GLN 20 -2.071 21.288 3.157
128 HE2 GLN 20 HE2 GLN 20 -3.771 21.305 3.647
129 H GLU 21 H GLU 21 0.721 15.850 4.369
130 HA GLU 21 HA GLU 21 0.960 14.337 6.662
131 1HB GLU 21 HB2 GLU 21 2.101 13.917 4.614
132 2HB GLU 21 HB3 GLU 21 3.091 15.371 4.752
133 1HG GLU 21 HG2 GLU 21 4.505 14.431 6.308
134 2HG GLU 21 HG3 GLU 21 3.295 13.370 6.975
135 H ARG 22 H ARG 22 1.624 17.793 6.693
136 HA ARG 22 HA ARG 22 3.246 18.035 9.023
137 1HB ARG 22 HB2 ARG 22 2.676 20.092 8.156
138 2HB ARG 22 HB3 ARG 22 1.018 19.634 7.823
139 1HG ARG 22 HG2 ARG 22 0.720 19.501 10.379
140 2HG ARG 22 HG3 ARG 22 2.247 20.369 10.525
141 1HD ARG 22 HD2 ARG 22 1.136 22.318 10.044
142 2HD ARG 22 HD3 ARG 22 0.191 21.544 8.780
143 HE ARG 22 HE ARG 22 -1.577 21.478 10.244
144 HH1 ARG 22 HH1 ARG 22 -2.753 20.156 11.711
145 HH1 ARG 22 HH1 ARG 22 -1.793 19.480 13.021
146 HH2 ARG 22 HH2 ARG 22 0.033 19.788 13.373
147 HH2 ARG 22 HH2 ARG 22 1.145 20.833 12.460
148 H TRP 23 H TRP 23 -0.097 16.845 8.669
149 HA TRP 23 HA TRP 23 -0.665 17.180 11.520
150 1HB TRP 23 HB2 TRP 23 -2.322 16.095 9.207
151 2HB TRP 23 HB3 TRP 23 -2.904 16.584 10.779
152 HD1 TRP 23 HD1 TRP 23 -0.762 18.748 8.389
153 HE1 TRP 23 HE1 TRP 23 -2.041 20.830 7.689
154 HE3 TRP 23 HE3 TRP 23 -5.286 17.663 10.396
155 HZ2 TRP 23 HZ2 TRP 23 -4.578 22.023 8.168
156 HZ3 TRP 23 HZ3 TRP 23 -7.144 19.280 10.276
157 HH2 TRP 23 HH2 TRP 23 -6.806 21.486 9.165
158 H LYS 24 H LYS 24 1.041 14.781 9.692
159 HA LYS 24 HA LYS 24 0.285 12.549 11.378
160 1HB LYS 24 HB2 LYS 24 2.524 13.011 9.339
161 2HB LYS 24 HB3 LYS 24 2.146 11.491 10.103
162 1HG LYS 24 HG2 LYS 24 -0.091 11.464 8.976
163 2HG LYS 24 HG3 LYS 24 0.269 13.041 8.317
164 1HD LYS 24 HD2 LYS 24 1.262 12.185 6.559
165 2HD LYS 24 HD3 LYS 24 2.477 11.410 7.580
166 1HE LYS 24 HE2 LYS 24 1.271 9.372 7.640
167 2HE LYS 24 HE3 LYS 24 -0.169 10.109 6.892
168 1HZ LYS 24 HZ1 LYS 24 2.355 10.369 5.442
169 2HZ LYS 24 HZ2 LYS 24 1.600 8.872 5.399
170 3HZ LYS 24 HZ3 LYS 24 0.829 10.237 4.876
171 H CYS 25 H CYS 25 1.067 12.562 13.301
172 HA CYS 25 HA CYS 25 2.620 12.284 14.915
173 1HB CYS 25 HB2 CYS 25 4.759 13.703 13.299
174 2HB CYS 25 HB3 CYS 25 4.988 12.522 14.561
175 H ASP 26 H ASP 26 1.139 15.078 14.424
176 HA ASP 26 HA ASP 26 3.103 16.932 15.665
177 1HB ASP 26 HB2 ASP 26 1.403 18.643 15.245
178 2HB ASP 26 HB3 ASP 26 1.939 17.841 13.775
179 H GLY 27 H GLY 27 0.941 14.550 16.709
180 1HA GLY 27 HA1 GLY 27 0.243 14.097 18.855
181 2HA GLY 27 HA2 GLY 27 0.837 15.666 19.405
182 H ASP 28 H ASP 28 -1.270 15.952 16.617
183 HA ASP 28 HA ASP 28 -3.509 16.725 18.447
184 1HB ASP 28 HB2 ASP 28 -2.512 18.571 17.118
185 2HB ASP 28 HB3 ASP 28 -2.936 17.716 15.634
186 H ASN 29 H ASN 29 -5.287 15.538 18.508
187 HA ASN 29 HA ASN 29 -5.900 13.585 16.451
188 1HB ASN 29 HB2 ASN 29 -8.230 14.291 18.060
189 2HB ASN 29 HB3 ASN 29 -7.435 12.798 17.729
190 HD2 ASN 29 HD2 ASN 29 -7.967 12.084 19.903
191 HD2 ASN 29 HD2 ASN 29 -7.034 12.790 21.241
192 H ASP 30 H ASP 30 -5.369 15.467 14.988
193 HA ASP 30 HA ASP 30 -7.208 17.477 14.239
194 1HB ASP 30 HB2 ASP 30 -5.659 17.749 12.542
195 2HB ASP 30 HB3 ASP 30 -4.694 16.923 13.763
196 H CYS 31 H CYS 31 -6.898 14.112 13.557
197 HA CYS 31 HA CYS 31 -9.054 13.776 11.735
198 1HB CYS 31 HB2 CYS 31 -7.101 12.403 11.801
199 2HB CYS 31 HB3 CYS 31 -7.391 11.925 13.470
200 H LEU 32 H LEU 32 -9.249 14.290 15.092
201 HA LEU 32 HA LEU 32 -10.740 13.996 16.696
202 1HB LEU 32 HB2 LEU 32 -12.772 14.727 16.199
203 2HB LEU 32 HB3 LEU 32 -12.160 14.819 14.561
204 HG LEU 32 HG LEU 32 -13.126 12.362 14.339
205 HD1 LEU 32 HD1 LEU 32 -15.196 12.046 15.605
206 HD1 LEU 32 HD1 LEU 32 -13.844 12.140 16.733
207 HD1 LEU 32 HD1 LEU 32 -14.908 13.544 16.521
208 HD2 LEU 32 HD2 LEU 32 -15.249 13.342 13.560
209 HD2 LEU 32 HD2 LEU 32 -14.853 14.868 14.388
210 HD2 LEU 32 HD2 LEU 32 -13.854 14.291 13.030
211 H ASP 33 H ASP 33 -10.764 11.358 14.419
212 HA ASP 33 HA ASP 33 -11.665 9.230 16.217
213 1HB ASP 33 HB2 ASP 33 -12.067 8.656 14.038
214 2HB ASP 33 HB3 ASP 33 -10.762 9.630 13.412
215 H ASN 34 H ASN 34 -8.827 10.960 15.598
216 HA ASN 34 HA ASN 34 -6.641 10.833 15.997
217 1HB ASN 34 HB2 ASN 34 -7.502 10.592 18.411
218 2HB ASN 34 HB3 ASN 34 -7.199 8.868 18.255
219 HD2 ASN 34 HD2 ASN 34 -5.819 11.476 19.696
220 HD2 ASN 34 HD2 ASN 34 -4.142 11.016 19.355
221 H SER 35 H SER 35 -6.339 9.980 13.934
222 HA SER 35 HA SER 35 -5.804 7.084 13.814
223 1HB SER 35 HB2 SER 35 -6.121 9.243 11.706
224 2HB SER 35 HB3 SER 35 -5.320 7.713 11.358
225 HG SER 35 HG SER 35 -7.996 7.726 12.497
226 H ASP 36 H ASP 36 -4.399 10.062 12.803
227 HA ASP 36 HA ASP 36 -1.823 9.689 12.275
228 1HB ASP 36 HB2 ASP 36 -1.782 12.134 13.366
229 2HB ASP 36 HB3 ASP 36 -2.549 11.808 11.833
230 H GLU 37 H GLU 37 -2.941 10.899 15.309
231 HA GLU 37 HA GLU 37 -0.398 10.490 16.505
232 1HB GLU 37 HB2 GLU 37 -2.882 11.460 17.892
233 2HB GLU 37 HB3 GLU 37 -1.195 11.815 18.275
234 1HG GLU 37 HG2 GLU 37 -2.712 12.580 15.751
235 2HG GLU 37 HG3 GLU 37 -2.327 13.615 17.094
236 H ALA 38 H ALA 38 -2.403 7.975 15.951
237 HA ALA 38 HA ALA 38 -1.375 6.586 18.325
238 1HB ALA 38 HB1 ALA 38 -3.640 6.008 16.361
239 2HB ALA 38 HB2 ALA 38 -3.198 4.996 17.758
240 3HB ALA 38 HB3 ALA 38 -3.857 6.637 18.000
241 HA PRO 39 HA PRO 39 1.569 5.067 15.425
242 1HB PRO 39 HB2 PRO 39 2.562 2.853 16.665
243 2HB PRO 39 HB3 PRO 39 2.697 4.494 17.357
244 1HG PRO 39 HG2 PRO 39 0.573 2.405 17.967
245 2HG PRO 39 HG3 PRO 39 1.616 3.287 19.133
246 1HD PRO 39 HD2 PRO 39 -0.889 4.150 18.550
247 2HD PRO 39 HD3 PRO 39 0.452 5.307 18.792
248 H ALA 40 H ALA 40 -1.244 4.113 14.996
249 HA ALA 40 HA ALA 40 -0.847 1.807 13.165
250 1HB ALA 40 HB1 ALA 40 -3.162 2.341 12.469
251 2HB ALA 40 HB2 ALA 40 -3.077 2.060 14.220
252 3HB ALA 40 HB3 ALA 40 -3.196 3.720 13.589
253 H LEU 41 H LEU 41 -0.604 5.297 13.466
254 HA LEU 41 HA LEU 41 0.355 5.465 10.667
255 1HB LEU 41 HB2 LEU 41 -1.822 6.623 11.101
256 2HB LEU 41 HB3 LEU 41 -1.027 7.675 12.253
257 HG LEU 41 HG LEU 41 0.433 7.474 9.664
258 HD1 LEU 41 HD1 LEU 41 -1.789 7.251 8.713
259 HD1 LEU 41 HD1 LEU 41 -2.357 8.627 9.679
260 HD1 LEU 41 HD1 LEU 41 -1.167 8.884 8.387
261 HD2 LEU 41 HD2 LEU 41 -0.623 10.084 10.609
262 HD2 LEU 41 HD2 LEU 41 0.561 9.283 11.638
263 HD2 LEU 41 HD2 LEU 41 0.958 9.610 9.953
264 H CYS 42 H CYS 42 0.587 7.852 13.503
265 HA CYS 42 HA CYS 42 3.490 7.242 13.443
266 1HB CYS 42 HB2 CYS 42 2.827 9.233 12.085
267 2HB CYS 42 HB3 CYS 42 2.259 10.002 13.574
268 H HIS 43 H HIS 43 1.071 9.061 15.424
269 HA HIS 43 HA HIS 43 1.176 9.787 17.588
270 1HB HIS 43 HB2 HIS 43 0.843 7.405 18.075
271 2HB HIS 43 HB3 HIS 43 2.577 7.130 18.110
272 HD1 HIS 43 HD1 HIS 43 -0.133 8.934 20.069
273 HD2 HIS 43 HD2 HIS 43 3.870 7.703 20.362
274 HE1 HIS 43 HE1 HIS 43 0.583 9.285 22.558
275 H GLN 44 H GLN 44 2.327 11.579 17.125
276 HA GLN 44 HA GLN 44 3.788 13.165 17.657
277 1HB GLN 44 HB2 GLN 44 3.413 12.208 19.886
278 2HB GLN 44 HB3 GLN 44 4.857 11.205 19.700
279 1HG GLN 44 HG2 GLN 44 6.269 13.236 19.567
280 2HG GLN 44 HG3 GLN 44 4.824 14.253 19.678
281 HE2 GLN 44 HE2 GLN 44 6.025 11.322 21.551
282 HE2 GLN 44 HE2 GLN 44 5.824 12.195 23.079
283 H HIS 45 H HIS 45 5.603 14.080 16.930
284 HA HIS 45 HA HIS 45 7.222 12.994 15.030
285 1HB HIS 45 HB2 HIS 45 8.602 14.979 15.256
286 2HB HIS 45 HB3 HIS 45 6.901 15.382 15.442
287 HD1 HIS 45 HD1 HIS 45 9.837 14.565 17.785
288 HD2 HIS 45 HD2 HIS 45 6.396 16.953 17.500
289 HE1 HIS 45 HE1 HIS 45 9.808 16.097 19.897
Start of MODEL 6
1 H GLY 1 H GLY 1 1.101 -0.790 -3.417
2 1HA GLY 1 HA1 GLY 1 1.214 -0.694 -0.974
3 2HA GLY 1 HA2 GLY 1 2.867 -0.617 -1.590
4 H SER 2 H SER 2 1.556 2.236 -2.464
5 HA SER 2 HA SER 2 1.953 3.682 0.115
6 1HB SER 2 HB2 SER 2 4.125 3.648 -1.062
7 2HB SER 2 HB3 SER 2 3.374 4.493 -2.433
8 HG SER 2 HG SER 2 4.303 5.978 -0.988
9 HA PRO 3 HA PRO 3 -1.728 5.173 -2.170
10 1HB PRO 3 HB2 PRO 3 -3.378 5.713 -0.063
11 2HB PRO 3 HB3 PRO 3 -3.070 4.055 -0.656
12 1HG PRO 3 HG2 PRO 3 -1.736 5.467 1.678
13 2HG PRO 3 HG3 PRO 3 -2.443 3.822 1.635
14 1HD PRO 3 HD2 PRO 3 0.232 4.296 1.292
15 2HD PRO 3 HD3 PRO 3 -0.605 2.962 0.441
16 HA PRO 4 HA PRO 4 -0.489 9.505 -1.555
17 1HB PRO 4 HB2 PRO 4 -2.172 10.753 -3.332
18 2HB PRO 4 HB3 PRO 4 -0.744 9.803 -3.845
19 1HG PRO 4 HG2 PRO 4 -3.634 8.904 -3.739
20 2HG PRO 4 HG3 PRO 4 -2.444 8.674 -5.058
21 1HD PRO 4 HD2 PRO 4 -2.987 6.724 -3.220
22 2HD PRO 4 HD3 PRO 4 -1.344 6.946 -3.894
23 H GLN 5 H GLN 5 -3.965 8.737 -1.610
24 HA GLN 5 HA GLN 5 -5.618 9.067 -0.073
25 1HB GLN 5 HB2 GLN 5 -3.631 10.473 1.714
26 2HB GLN 5 HB3 GLN 5 -5.167 9.814 2.182
27 1HG GLN 5 HG2 GLN 5 -4.319 7.627 2.350
28 2HG GLN 5 HG3 GLN 5 -3.195 7.836 1.032
29 HE2 GLN 5 HE2 GLN 5 -1.392 9.473 1.392
30 HE2 GLN 5 HE2 GLN 5 -0.752 9.596 3.045
31 H CYS 6 H CYS 6 -3.495 11.898 -0.260
32 HA CYS 6 HA CYS 6 -5.842 13.644 -0.948
33 1HB CYS 6 HB2 CYS 6 -4.544 13.794 1.471
34 2HB CYS 6 HB3 CYS 6 -3.596 14.919 0.544
35 H GLN 7 H GLN 7 -2.276 13.528 -0.875
36 HA GLN 7 HA GLN 7 -1.986 14.189 -3.697
37 1HB GLN 7 HB2 GLN 7 -0.306 15.706 -1.680
38 2HB GLN 7 HB3 GLN 7 -0.587 16.053 -3.381
39 1HG GLN 7 HG2 GLN 7 -2.963 16.694 -2.805
40 2HG GLN 7 HG3 GLN 7 -2.540 16.528 -1.104
41 HE2 GLN 7 HE2 GLN 7 -0.863 18.026 -0.132
42 HE2 GLN 7 HE2 GLN 7 -0.606 19.531 -1.053
43 HA PRO 8 HA PRO 8 1.056 11.057 -3.019
44 1HB PRO 8 HB2 PRO 8 3.256 11.537 -4.546
45 2HB PRO 8 HB3 PRO 8 1.630 11.263 -5.230
46 1HG PRO 8 HG2 PRO 8 2.963 13.932 -4.668
47 2HG PRO 8 HG3 PRO 8 2.192 13.383 -6.192
48 1HD PRO 8 HD2 PRO 8 0.877 14.902 -4.370
49 2HD PRO 8 HD3 PRO 8 0.021 13.621 -5.283
50 H GLY 9 H GLY 9 1.046 11.971 -0.753
51 1HA GLY 9 HA1 GLY 9 3.235 11.262 0.713
52 2HA GLY 9 HA2 GLY 9 3.652 12.921 0.277
53 H GLU 10 H GLU 10 0.415 11.631 1.224
54 HA GLU 10 HA GLU 10 0.347 13.731 3.345
55 1HB GLU 10 HB2 GLU 10 -1.722 12.943 1.272
56 2HB GLU 10 HB3 GLU 10 -2.038 14.121 2.524
57 1HG GLU 10 HG2 GLU 10 0.155 14.403 0.398
58 2HG GLU 10 HG3 GLU 10 -1.463 15.046 0.317
59 H PHE 11 H PHE 11 -2.310 13.281 4.412
60 HA PHE 11 HA PHE 11 -2.127 10.617 5.527
61 1HB PHE 11 HB2 PHE 11 -1.259 12.162 7.004
62 2HB PHE 11 HB3 PHE 11 -2.503 13.336 6.723
63 HD1 PHE 11 HD1 PHE 11 -3.151 9.688 7.544
64 HD2 PHE 11 HD2 PHE 11 -3.055 13.771 8.976
65 HE1 PHE 11 HE1 PHE 11 -4.479 9.048 9.515
66 HE2 PHE 11 HE2 PHE 11 -4.363 13.088 10.941
67 HZ PHE 11 HZ PHE 11 -5.133 10.778 11.192
68 H ALA 12 H ALA 12 -3.697 9.313 5.276
69 HA ALA 12 HA ALA 12 -6.519 10.146 4.980
70 1HB ALA 12 HB1 ALA 12 -6.869 7.620 4.888
71 2HB ALA 12 HB2 ALA 12 -6.018 8.353 3.543
72 3HB ALA 12 HB3 ALA 12 -5.104 7.473 4.804
73 H CYS 13 H CYS 13 -7.563 10.630 6.720
74 HA CYS 13 HA CYS 13 -7.148 9.518 9.410
75 1HB CYS 13 HB2 CYS 13 -7.742 11.861 9.054
76 2HB CYS 13 HB3 CYS 13 -9.136 11.357 8.102
77 H ALA 14 H ALA 14 -8.164 7.631 10.062
78 HA ALA 14 HA ALA 14 -10.101 6.258 8.524
79 1HB ALA 14 HB1 ALA 14 -10.297 4.807 10.465
80 2HB ALA 14 HB2 ALA 14 -8.595 5.216 10.172
81 3HB ALA 14 HB3 ALA 14 -9.489 6.006 11.485
82 H ASN 15 H ASN 15 -10.754 9.111 10.410
83 HA ASN 15 HA ASN 15 -13.593 8.490 10.798
84 1HB ASN 15 HB2 ASN 15 -12.628 10.306 12.116
85 2HB ASN 15 HB3 ASN 15 -12.187 11.210 10.680
86 HD2 ASN 15 HD2 ASN 15 -15.029 9.941 12.492
87 HD2 ASN 15 HD2 ASN 15 -16.074 11.200 11.819
88 H SER 16 H SER 16 -11.614 9.551 8.169
89 HA SER 16 HA SER 16 -12.134 8.670 6.022
90 1HB SER 16 HB2 SER 16 -14.807 10.098 6.111
91 2HB SER 16 HB3 SER 16 -14.137 9.149 4.770
92 HG SER 16 HG SER 16 -14.851 8.305 7.351
93 H ARG 17 H ARG 17 -10.444 10.415 6.660
94 HA ARG 17 HA ARG 17 -11.037 12.921 5.053
95 1HB ARG 17 HB2 ARG 17 -9.348 13.318 7.480
96 2HB ARG 17 HB3 ARG 17 -10.324 14.449 6.611
97 1HG ARG 17 HG2 ARG 17 -11.437 12.250 8.416
98 2HG ARG 17 HG3 ARG 17 -11.115 13.897 8.926
99 1HD ARG 17 HD2 ARG 17 -13.108 13.082 6.789
100 2HD ARG 17 HD3 ARG 17 -13.498 13.487 8.455
101 HE ARG 17 HE ARG 17 -12.350 15.746 7.876
102 HH1 ARG 17 HH1 ARG 17 -13.100 17.566 6.819
103 HH1 ARG 17 HH1 ARG 17 -14.237 17.409 5.515
104 HH2 ARG 17 HH2 ARG 17 -14.978 15.395 4.856
105 HH2 ARG 17 HH2 ARG 17 -14.359 13.963 5.638
106 H CYS 18 H CYS 18 -9.692 13.847 3.681
107 HA CYS 18 HA CYS 18 -6.873 12.915 3.836
108 1HB CYS 18 HB2 CYS 18 -6.466 13.030 1.788
109 2HB CYS 18 HB3 CYS 18 -8.155 12.658 1.603
110 H ILE 19 H ILE 19 -5.568 14.005 4.846
111 HA ILE 19 HA ILE 19 -5.524 16.976 4.694
112 HB ILE 19 HB ILE 19 -4.755 16.959 7.115
113 HG2 ILE 19 HG2 ILE 19 -6.883 17.936 6.527
114 HG2 ILE 19 HG2 ILE 19 -7.685 16.352 6.540
115 HG2 ILE 19 HG2 ILE 19 -7.065 17.043 8.050
116 HG1 ILE 19 HG1 ILE 19 -4.549 14.380 7.152
117 HG1 ILE 19 HG1 ILE 19 -5.048 15.241 8.578
118 HD1 ILE 19 HD1 ILE 19 -7.329 14.541 8.362
119 HD1 ILE 19 HD1 ILE 19 -6.999 13.783 6.787
120 HD1 ILE 19 HD1 ILE 19 -6.244 13.145 8.250
121 H GLN 20 H GLN 20 -3.316 17.629 5.535
122 HA GLN 20 HA GLN 20 -1.430 16.058 4.015
123 1HB GLN 20 HB2 GLN 20 -0.068 18.182 4.140
124 2HB GLN 20 HB3 GLN 20 -1.668 18.390 3.422
125 1HG GLN 20 HG2 GLN 20 -2.532 19.436 5.436
126 2HG GLN 20 HG3 GLN 20 -1.084 19.001 6.341
127 HE2 GLN 20 HE2 GLN 20 -0.559 20.280 3.086
128 HE2 GLN 20 HE2 GLN 20 -0.047 21.858 3.694
129 H GLU 21 H GLU 21 0.600 15.588 4.571
130 HA GLU 21 HA GLU 21 0.807 14.089 6.945
131 1HB GLU 21 HB2 GLU 21 1.849 13.423 4.950
132 2HB GLU 21 HB3 GLU 21 2.817 14.898 4.822
133 1HG GLU 21 HG2 GLU 21 4.341 14.208 6.429
134 2HG GLU 21 HG3 GLU 21 3.235 13.097 7.198
135 H ARG 22 H ARG 22 1.577 17.388 6.610
136 HA ARG 22 HA ARG 22 3.339 17.873 8.846
137 1HB ARG 22 HB2 ARG 22 2.840 19.718 7.515
138 2HB ARG 22 HB3 ARG 22 1.114 19.380 7.495
139 1HG ARG 22 HG2 ARG 22 0.935 20.035 9.884
140 2HG ARG 22 HG3 ARG 22 2.672 20.425 9.908
141 1HD ARG 22 HD2 ARG 22 2.395 22.316 8.588
142 2HD ARG 22 HD3 ARG 22 1.009 21.640 7.739
143 HE ARG 22 HE ARG 22 0.861 22.546 10.584
144 HH1 ARG 22 HH1 ARG 22 -0.976 23.555 11.261
145 HH1 ARG 22 HH1 ARG 22 -2.239 23.936 10.138
146 HH2 ARG 22 HH2 ARG 22 -2.022 23.509 7.980
147 HH2 ARG 22 HH2 ARG 22 -0.692 22.571 7.354
148 H TRP 23 H TRP 23 -0.016 16.709 8.805
149 HA TRP 23 HA TRP 23 -0.382 17.210 11.665
150 1HB TRP 23 HB2 TRP 23 -2.238 16.056 9.571
151 2HB TRP 23 HB3 TRP 23 -2.645 16.710 11.150
152 HD1 TRP 23 HD1 TRP 23 -0.540 18.918 8.882
153 HE1 TRP 23 HE1 TRP 23 -1.874 20.889 8.044
154 HE3 TRP 23 HE3 TRP 23 -5.198 17.378 10.266
155 HZ2 TRP 23 HZ2 TRP 23 -4.597 21.764 8.032
156 HZ3 TRP 23 HZ3 TRP 23 -7.152 18.819 9.859
157 HH2 TRP 23 HH2 TRP 23 -6.878 21.020 8.732
158 H LYS 24 H LYS 24 1.099 14.634 9.857
159 HA LYS 24 HA LYS 24 0.235 12.459 11.592
160 1HB LYS 24 HB2 LYS 24 2.446 12.794 9.506
161 2HB LYS 24 HB3 LYS 24 2.075 11.301 10.343
162 1HG LYS 24 HG2 LYS 24 -0.145 11.187 9.262
163 2HG LYS 24 HG3 LYS 24 0.108 12.771 8.578
164 1HD LYS 24 HD2 LYS 24 1.176 11.949 6.815
165 2HD LYS 24 HD3 LYS 24 2.374 11.153 7.834
166 1HE LYS 24 HE2 LYS 24 1.149 9.129 7.873
167 2HE LYS 24 HE3 LYS 24 -0.277 9.882 7.117
168 1HZ LYS 24 HZ1 LYS 24 2.318 10.060 5.739
169 2HZ LYS 24 HZ2 LYS 24 1.432 8.642 5.603
170 3HZ LYS 24 HZ3 LYS 24 0.834 10.108 5.112
171 H CYS 25 H CYS 25 1.342 12.047 13.435
172 HA CYS 25 HA CYS 25 2.897 12.083 15.085
173 1HB CYS 25 HB2 CYS 25 4.885 13.483 13.259
174 2HB CYS 25 HB3 CYS 25 5.245 12.490 14.644
175 H ASP 26 H ASP 26 1.212 14.594 14.411
176 HA ASP 26 HA ASP 26 2.969 16.863 15.104
177 1HB ASP 26 HB2 ASP 26 1.546 17.909 13.797
178 2HB ASP 26 HB3 ASP 26 0.613 16.473 13.552
179 H GLY 27 H GLY 27 0.473 14.832 16.496
180 1HA GLY 27 HA1 GLY 27 0.486 14.341 18.869
181 2HA GLY 27 HA2 GLY 27 1.003 15.993 19.212
182 H ASP 28 H ASP 28 -1.426 16.421 16.839
183 HA ASP 28 HA ASP 28 -3.538 16.363 18.922
184 1HB ASP 28 HB2 ASP 28 -2.939 18.612 17.941
185 2HB ASP 28 HB3 ASP 28 -3.553 18.021 16.391
186 H ASN 29 H ASN 29 -5.508 15.617 18.475
187 HA ASN 29 HA ASN 29 -5.722 13.450 16.492
188 1HB ASN 29 HB2 ASN 29 -8.207 14.217 17.915
189 2HB ASN 29 HB3 ASN 29 -7.468 12.684 17.612
190 HD2 ASN 29 HD2 ASN 29 -5.332 12.265 19.036
191 HD2 ASN 29 HD2 ASN 29 -5.549 12.815 20.715
192 H ASP 30 H ASP 30 -5.109 15.264 14.993
193 HA ASP 30 HA ASP 30 -6.889 17.318 14.177
194 1HB ASP 30 HB2 ASP 30 -5.291 17.561 12.459
195 2HB ASP 30 HB3 ASP 30 -4.393 16.908 13.828
196 H CYS 31 H CYS 31 -6.708 13.986 13.547
197 HA CYS 31 HA CYS 31 -8.722 13.685 11.546
198 1HB CYS 31 HB2 CYS 31 -6.825 12.241 11.801
199 2HB CYS 31 HB3 CYS 31 -7.253 11.862 13.469
200 H LEU 32 H LEU 32 -9.134 14.211 14.920
201 HA LEU 32 HA LEU 32 -10.769 13.958 16.396
202 1HB LEU 32 HB2 LEU 32 -12.712 14.781 15.756
203 2HB LEU 32 HB3 LEU 32 -11.973 14.882 14.176
204 HG LEU 32 HG LEU 32 -13.049 12.450 13.835
205 HD1 LEU 32 HD1 LEU 32 -13.985 12.280 16.153
206 HD1 LEU 32 HD1 LEU 32 -14.928 13.751 15.856
207 HD1 LEU 32 HD1 LEU 32 -15.241 12.278 14.913
208 HD2 LEU 32 HD2 LEU 32 -14.599 15.064 13.731
209 HD2 LEU 32 HD2 LEU 32 -13.531 14.407 12.467
210 HD2 LEU 32 HD2 LEU 32 -15.028 13.564 12.875
211 H ASP 33 H ASP 33 -10.702 11.336 14.094
212 HA ASP 33 HA ASP 33 -11.779 9.257 15.884
213 1HB ASP 33 HB2 ASP 33 -12.087 8.569 13.734
214 2HB ASP 33 HB3 ASP 33 -10.776 9.538 13.103
215 H ASN 34 H ASN 34 -8.890 10.914 15.401
216 HA ASN 34 HA ASN 34 -6.779 10.851 16.040
217 1HB ASN 34 HB2 ASN 34 -7.742 10.587 18.364
218 2HB ASN 34 HB3 ASN 34 -7.616 8.838 18.189
219 HD2 ASN 34 HD2 ASN 34 -5.766 8.047 19.195
220 HD2 ASN 34 HD2 ASN 34 -4.228 8.942 19.213
221 H SER 35 H SER 35 -6.093 10.015 14.034
222 HA SER 35 HA SER 35 -5.548 7.098 14.011
223 1HB SER 35 HB2 SER 35 -6.167 9.093 11.825
224 2HB SER 35 HB3 SER 35 -5.192 7.680 11.471
225 HG SER 35 HG SER 35 -7.878 7.540 12.622
226 H ASP 36 H ASP 36 -4.214 10.178 12.984
227 HA ASP 36 HA ASP 36 -1.516 9.707 12.609
228 1HB ASP 36 HB2 ASP 36 -1.501 12.126 13.610
229 2HB ASP 36 HB3 ASP 36 -2.273 11.849 12.074
230 H GLU 37 H GLU 37 -3.063 10.901 15.542
231 HA GLU 37 HA GLU 37 -0.761 9.994 16.990
232 1HB GLU 37 HB2 GLU 37 -2.825 11.605 18.358
233 2HB GLU 37 HB3 GLU 37 -1.073 11.590 18.475
234 1HG GLU 37 HG2 GLU 37 -2.611 12.553 16.063
235 2HG GLU 37 HG3 GLU 37 -2.040 13.601 17.333
236 H ALA 38 H ALA 38 -2.778 7.856 16.032
237 HA ALA 38 HA ALA 38 -2.448 6.468 18.600
238 1HB ALA 38 HB1 ALA 38 -3.869 4.762 17.398
239 2HB ALA 38 HB2 ALA 38 -4.724 6.298 17.687
240 3HB ALA 38 HB3 ALA 38 -4.080 5.940 16.075
241 HA PRO 39 HA PRO 39 1.326 5.498 16.334
242 1HB PRO 39 HB2 PRO 39 2.429 3.561 17.930
243 2HB PRO 39 HB3 PRO 39 2.273 5.268 18.413
244 1HG PRO 39 HG2 PRO 39 0.384 2.980 19.056
245 2HG PRO 39 HG3 PRO 39 1.119 4.158 20.194
246 1HD PRO 39 HD2 PRO 39 -1.382 4.511 19.214
247 2HD PRO 39 HD3 PRO 39 -0.283 5.902 19.437
248 H ALA 40 H ALA 40 -1.156 4.070 15.614
249 HA ALA 40 HA ALA 40 -0.175 1.700 14.101
250 1HB ALA 40 HB1 ALA 40 -2.545 1.669 14.837
251 2HB ALA 40 HB2 ALA 40 -2.825 3.230 14.028
252 3HB ALA 40 HB3 ALA 40 -2.426 1.787 13.069
253 H LEU 41 H LEU 41 -0.556 5.181 14.052
254 HA LEU 41 HA LEU 41 0.650 5.312 11.349
255 1HB LEU 41 HB2 LEU 41 -1.646 6.349 11.728
256 2HB LEU 41 HB3 LEU 41 -0.875 7.564 12.732
257 HG LEU 41 HG LEU 41 0.114 6.950 9.926
258 HD1 LEU 41 HD1 LEU 41 -1.982 9.033 10.614
259 HD1 LEU 41 HD1 LEU 41 -1.251 8.757 9.027
260 HD1 LEU 41 HD1 LEU 41 -2.284 7.514 9.747
261 HD2 LEU 41 HD2 LEU 41 0.440 9.382 11.695
262 HD2 LEU 41 HD2 LEU 41 1.693 8.277 11.064
263 HD2 LEU 41 HD2 LEU 41 0.843 9.326 9.968
264 H CYS 42 H CYS 42 0.622 7.828 14.090
265 HA CYS 42 HA CYS 42 3.502 7.214 14.308
266 1HB CYS 42 HB2 CYS 42 2.857 9.093 12.692
267 2HB CYS 42 HB3 CYS 42 2.458 10.027 14.133
268 H HIS 43 H HIS 43 0.974 9.304 15.859
269 HA HIS 43 HA HIS 43 0.884 10.231 17.936
270 1HB HIS 43 HB2 HIS 43 0.274 7.949 18.556
271 2HB HIS 43 HB3 HIS 43 1.963 7.536 18.794
272 HD1 HIS 43 HD1 HIS 43 3.199 9.306 20.630
273 HD2 HIS 43 HD2 HIS 43 -0.897 8.448 20.904
274 HE1 HIS 43 HE1 HIS 43 2.499 9.747 23.112
275 H GLN 44 H GLN 44 2.079 11.877 17.397
276 HA GLN 44 HA GLN 44 3.685 13.452 17.745
277 1HB GLN 44 HB2 GLN 44 3.426 12.036 20.234
278 2HB GLN 44 HB3 GLN 44 5.105 12.479 20.072
279 1HG GLN 44 HG2 GLN 44 2.879 14.504 19.591
280 2HG GLN 44 HG3 GLN 44 3.389 14.074 21.219
281 HE2 GLN 44 HE2 GLN 44 3.953 16.435 21.428
282 HE2 GLN 44 HE2 GLN 44 5.537 16.874 20.771
283 H HIS 45 H HIS 45 6.261 13.715 18.307
284 HA HIS 45 HA HIS 45 7.684 12.487 16.146
285 1HB HIS 45 HB2 HIS 45 8.217 14.686 17.127
286 2HB HIS 45 HB3 HIS 45 8.697 13.915 18.637
287 HD1 HIS 45 HD1 HIS 45 10.776 12.035 18.204
288 HD2 HIS 45 HD2 HIS 45 10.193 15.155 15.460
289 HE1 HIS 45 HE1 HIS 45 13.029 12.335 16.919
Start of MODEL 7
1 H GLY 1 H GLY 1 -3.578 7.606 6.927
2 1HA GLY 1 HA1 GLY 1 -2.179 5.543 7.963
3 2HA GLY 1 HA2 GLY 1 -3.657 5.342 7.020
4 H SER 2 H SER 2 -1.343 6.623 5.109
5 HA SER 2 HA SER 2 0.632 5.602 4.071
6 1HB SER 2 HB2 SER 2 0.291 3.309 4.704
7 2HB SER 2 HB3 SER 2 -1.104 3.163 3.620
8 HG SER 2 HG SER 2 0.894 2.413 2.718
9 HA PRO 3 HA PRO 3 -1.583 5.469 -0.021
10 1HB PRO 3 HB2 PRO 3 -4.317 5.832 -0.341
11 2HB PRO 3 HB3 PRO 3 -3.502 4.256 -0.122
12 1HG PRO 3 HG2 PRO 3 -4.821 5.975 2.001
13 2HG PRO 3 HG3 PRO 3 -5.016 4.218 1.717
14 1HD PRO 3 HD2 PRO 3 -3.343 5.167 3.605
15 2HD PRO 3 HD3 PRO 3 -2.883 3.753 2.609
16 HA PRO 4 HA PRO 4 -1.466 9.885 -0.497
17 1HB PRO 4 HB2 PRO 4 -1.239 10.113 -3.188
18 2HB PRO 4 HB3 PRO 4 -0.047 9.174 -2.233
19 1HG PRO 4 HG2 PRO 4 -2.476 8.096 -3.715
20 2HG PRO 4 HG3 PRO 4 -0.763 7.584 -3.892
21 1HD PRO 4 HD2 PRO 4 -2.475 6.293 -2.213
22 2HD PRO 4 HD3 PRO 4 -0.755 6.541 -1.785
23 H GLN 5 H GLN 5 -3.878 9.389 0.315
24 HA GLN 5 HA GLN 5 -6.099 9.777 -1.393
25 1HB GLN 5 HB2 GLN 5 -5.616 10.179 1.571
26 2HB GLN 5 HB3 GLN 5 -7.244 10.310 0.872
27 1HG GLN 5 HG2 GLN 5 -5.459 7.851 0.879
28 2HG GLN 5 HG3 GLN 5 -6.946 8.082 1.798
29 HE2 GLN 5 HE2 GLN 5 -8.963 8.724 0.163
30 HE2 GLN 5 HE2 GLN 5 -8.962 7.618 -1.216
31 H CYS 6 H CYS 6 -3.933 12.198 -0.585
32 HA CYS 6 HA CYS 6 -5.915 14.346 -1.248
33 1HB CYS 6 HB2 CYS 6 -4.323 14.146 1.109
34 2HB CYS 6 HB3 CYS 6 -3.585 15.398 0.142
35 H GLN 7 H GLN 7 -2.391 13.681 -1.171
36 HA GLN 7 HA GLN 7 -2.048 14.239 -4.006
37 1HB GLN 7 HB2 GLN 7 -0.186 15.613 -2.040
38 2HB GLN 7 HB3 GLN 7 -0.414 15.929 -3.746
39 1HG GLN 7 HG2 GLN 7 -2.683 16.888 -3.239
40 2HG GLN 7 HG3 GLN 7 -2.316 16.725 -1.522
41 HE2 GLN 7 HE2 GLN 7 -0.608 18.114 -0.527
42 HE2 GLN 7 HE2 GLN 7 -0.080 19.499 -1.516
43 HA PRO 8 HA PRO 8 0.830 10.877 -3.296
44 1HB PRO 8 HB2 PRO 8 2.959 11.232 -4.943
45 2HB PRO 8 HB3 PRO 8 1.305 10.897 -5.524
46 1HG PRO 8 HG2 PRO 8 2.648 13.604 -5.249
47 2HG PRO 8 HG3 PRO 8 1.799 12.932 -6.680
48 1HD PRO 8 HD2 PRO 8 0.564 14.590 -4.955
49 2HD PRO 8 HD3 PRO 8 -0.322 13.211 -5.666
50 H GLY 9 H GLY 9 0.959 11.746 -1.085
51 1HA GLY 9 HA1 GLY 9 3.174 11.221 0.347
52 2HA GLY 9 HA2 GLY 9 3.643 12.800 -0.294
53 H GLU 10 H GLU 10 0.523 11.588 1.036
54 HA GLU 10 HA GLU 10 0.502 13.871 2.949
55 1HB GLU 10 HB2 GLU 10 -1.623 13.097 0.920
56 2HB GLU 10 HB3 GLU 10 -1.905 14.273 2.191
57 1HG GLU 10 HG2 GLU 10 0.267 14.576 0.058
58 2HG GLU 10 HG3 GLU 10 -1.358 15.192 -0.043
59 H PHE 11 H PHE 11 -2.071 13.535 4.192
60 HA PHE 11 HA PHE 11 -1.762 10.936 5.370
61 1HB PHE 11 HB2 PHE 11 -0.981 12.537 6.806
62 2HB PHE 11 HB3 PHE 11 -2.297 13.635 6.546
63 HD1 PHE 11 HD1 PHE 11 -2.482 9.910 7.280
64 HD2 PHE 11 HD2 PHE 11 -3.091 13.915 8.786
65 HE1 PHE 11 HE1 PHE 11 -3.864 9.018 9.114
66 HE2 PHE 11 HE2 PHE 11 -4.474 13.000 10.600
67 HZ PHE 11 HZ PHE 11 -4.907 10.584 10.743
68 H ALA 12 H ALA 12 -3.193 9.566 5.205
69 HA ALA 12 HA ALA 12 -6.027 10.167 4.613
70 1HB ALA 12 HB1 ALA 12 -6.131 7.776 4.037
71 2HB ALA 12 HB2 ALA 12 -4.789 8.562 3.166
72 3HB ALA 12 HB3 ALA 12 -4.457 7.545 4.573
73 H CYS 13 H CYS 13 -7.212 10.483 6.357
74 HA CYS 13 HA CYS 13 -6.777 9.243 8.983
75 1HB CYS 13 HB2 CYS 13 -7.507 11.555 8.759
76 2HB CYS 13 HB3 CYS 13 -8.899 11.015 7.803
77 H ALA 14 H ALA 14 -7.595 7.276 9.460
78 HA ALA 14 HA ALA 14 -9.423 5.731 8.019
79 1HB ALA 14 HB1 ALA 14 -8.864 5.755 11.014
80 2HB ALA 14 HB2 ALA 14 -9.549 4.412 10.079
81 3HB ALA 14 HB3 ALA 14 -7.879 4.932 9.784
82 H ASN 15 H ASN 15 -10.257 8.517 10.028
83 HA ASN 15 HA ASN 15 -13.044 7.709 10.391
84 1HB ASN 15 HB2 ASN 15 -11.817 9.400 11.833
85 2HB ASN 15 HB3 ASN 15 -11.940 10.553 10.499
86 HD2 ASN 15 HD2 ASN 15 -13.908 11.714 10.283
87 HD2 ASN 15 HD2 ASN 15 -15.292 11.275 11.293
88 H SER 16 H SER 16 -11.208 9.037 7.816
89 HA SER 16 HA SER 16 -11.870 8.462 5.628
90 1HB SER 16 HB2 SER 16 -14.508 9.903 6.018
91 2HB SER 16 HB3 SER 16 -13.937 9.065 4.565
92 HG SER 16 HG SER 16 -14.539 8.017 7.098
93 H ARG 17 H ARG 17 -10.111 10.149 6.339
94 HA ARG 17 HA ARG 17 -10.768 12.733 4.888
95 1HB ARG 17 HB2 ARG 17 -9.067 13.011 7.321
96 2HB ARG 17 HB3 ARG 17 -9.975 14.210 6.476
97 1HG ARG 17 HG2 ARG 17 -11.153 12.026 8.257
98 2HG ARG 17 HG3 ARG 17 -10.812 13.676 8.736
99 1HD ARG 17 HD2 ARG 17 -12.994 12.701 6.883
100 2HD ARG 17 HD3 ARG 17 -13.134 13.533 8.407
101 HE ARG 17 HE ARG 17 -12.405 15.579 7.403
102 HH1 ARG 17 HH1 ARG 17 -12.684 17.023 5.748
103 HH1 ARG 17 HH1 ARG 17 -13.046 16.461 4.148
104 HH2 ARG 17 HH2 ARG 17 -13.302 14.299 3.709
105 HH2 ARG 17 HH2 ARG 17 -13.010 13.089 4.927
106 H CYS 18 H CYS 18 -9.505 13.773 3.559
107 HA CYS 18 HA CYS 18 -6.642 12.962 3.594
108 1HB CYS 18 HB2 CYS 18 -6.320 13.278 1.534
109 2HB CYS 18 HB3 CYS 18 -8.001 12.889 1.349
110 H ILE 19 H ILE 19 -5.370 14.099 4.663
111 HA ILE 19 HA ILE 19 -5.445 17.067 4.569
112 HB ILE 19 HB ILE 19 -4.518 16.933 6.998
113 HG2 ILE 19 HG2 ILE 19 -7.500 16.657 6.500
114 HG2 ILE 19 HG2 ILE 19 -6.740 17.281 7.985
115 HG2 ILE 19 HG2 ILE 19 -6.534 18.145 6.452
116 HG1 ILE 19 HG1 ILE 19 -4.582 14.344 6.933
117 HG1 ILE 19 HG1 ILE 19 -4.961 15.199 8.402
118 HD1 ILE 19 HD1 ILE 19 -6.394 13.291 8.098
119 HD1 ILE 19 HD1 ILE 19 -7.331 14.789 8.162
120 HD1 ILE 19 HD1 ILE 19 -7.054 13.970 6.606
121 H GLN 20 H GLN 20 -3.207 17.784 5.342
122 HA GLN 20 HA GLN 20 -1.361 16.227 3.732
123 1HB GLN 20 HB2 GLN 20 -0.057 18.380 3.724
124 2HB GLN 20 HB3 GLN 20 -1.704 18.533 3.102
125 1HG GLN 20 HG2 GLN 20 -2.466 19.584 5.165
126 2HG GLN 20 HG3 GLN 20 -0.931 19.230 5.957
127 HE2 GLN 20 HE2 GLN 20 -0.642 20.415 2.650
128 HE2 GLN 20 HE2 GLN 20 -0.201 22.043 3.172
129 H GLU 21 H GLU 21 0.749 15.916 4.185
130 HA GLU 21 HA GLU 21 1.143 14.422 6.514
131 1HB GLU 21 HB2 GLU 21 2.126 13.904 4.419
132 2HB GLU 21 HB3 GLU 21 3.035 15.413 4.350
133 1HG GLU 21 HG2 GLU 21 4.643 14.687 5.843
134 2HG GLU 21 HG3 GLU 21 3.598 13.528 6.622
135 H ARG 22 H ARG 22 1.716 17.754 6.208
136 HA ARG 22 HA ARG 22 3.468 18.338 8.417
137 1HB ARG 22 HB2 ARG 22 2.844 20.162 7.152
138 2HB ARG 22 HB3 ARG 22 1.154 19.691 7.079
139 1HG ARG 22 HG2 ARG 22 0.843 20.308 9.454
140 2HG ARG 22 HG3 ARG 22 2.546 20.825 9.547
141 1HD ARG 22 HD2 ARG 22 2.180 22.696 8.212
142 2HD ARG 22 HD3 ARG 22 0.865 21.928 7.330
143 HE ARG 22 HE ARG 22 0.584 22.816 10.170
144 HH1 ARG 22 HH1 ARG 22 -1.331 23.707 10.799
145 HH1 ARG 22 HH1 ARG 22 -2.585 24.006 9.643
146 HH2 ARG 22 HH2 ARG 22 -2.290 23.587 7.493
147 HH2 ARG 22 HH2 ARG 22 -0.885 22.748 6.901
148 H TRP 23 H TRP 23 0.225 16.894 8.460
149 HA TRP 23 HA TRP 23 -0.046 17.267 11.350
150 1HB TRP 23 HB2 TRP 23 -1.951 16.116 9.294
151 2HB TRP 23 HB3 TRP 23 -2.311 16.683 10.909
152 HD1 TRP 23 HD1 TRP 23 -0.504 18.874 8.272
153 HE1 TRP 23 HE1 TRP 23 -1.921 20.883 7.692
154 HE3 TRP 23 HE3 TRP 23 -4.745 17.585 10.748
155 HZ2 TRP 23 HZ2 TRP 23 -4.590 21.813 8.166
156 HZ3 TRP 23 HZ3 TRP 23 -6.752 19.024 10.638
157 HH2 TRP 23 HH2 TRP 23 -6.691 21.154 9.349
158 H LYS 24 H LYS 24 1.566 14.892 9.449
159 HA LYS 24 HA LYS 24 0.785 12.577 11.037
160 1HB LYS 24 HB2 LYS 24 2.941 13.151 8.943
161 2HB LYS 24 HB3 LYS 24 2.716 11.594 9.713
162 1HG LYS 24 HG2 LYS 24 0.412 11.431 8.749
163 2HG LYS 24 HG3 LYS 24 0.595 13.048 8.116
164 1HD LYS 24 HD2 LYS 24 1.558 12.317 6.261
165 2HD LYS 24 HD3 LYS 24 2.843 11.524 7.176
166 1HE LYS 24 HE2 LYS 24 1.684 9.464 7.212
167 2HE LYS 24 HE3 LYS 24 0.190 10.196 6.583
168 1HZ LYS 24 HZ1 LYS 24 2.632 10.560 5.010
169 2HZ LYS 24 HZ2 LYS 24 1.913 9.057 4.946
170 3HZ LYS 24 HZ3 LYS 24 1.091 10.419 4.498
171 H CYS 25 H CYS 25 1.481 12.530 13.063
172 HA CYS 25 HA CYS 25 2.504 13.184 14.942
173 1HB CYS 25 HB2 CYS 25 4.922 12.809 15.190
174 2HB CYS 25 HB3 CYS 25 3.927 11.444 14.740
175 H ASP 26 H ASP 26 1.630 15.356 13.873
176 HA ASP 26 HA ASP 26 3.617 17.274 14.937
177 1HB ASP 26 HB2 ASP 26 1.645 18.820 14.875
178 2HB ASP 26 HB3 ASP 26 2.007 18.172 13.252
179 H GLY 27 H GLY 27 0.919 15.087 15.881
180 1HA GLY 27 HA1 GLY 27 0.747 14.385 18.169
181 2HA GLY 27 HA2 GLY 27 1.229 15.979 18.721
182 H ASP 28 H ASP 28 -0.933 16.914 16.313
183 HA ASP 28 HA ASP 28 -3.155 16.937 18.226
184 1HB ASP 28 HB2 ASP 28 -2.476 18.942 16.807
185 2HB ASP 28 HB3 ASP 28 -3.173 18.080 15.424
186 H ASN 29 H ASN 29 -5.086 16.173 17.871
187 HA ASN 29 HA ASN 29 -5.298 13.445 17.639
188 1HB ASN 29 HB2 ASN 29 -7.525 15.503 17.198
189 2HB ASN 29 HB3 ASN 29 -7.766 13.852 17.662
190 HD2 ASN 29 HD2 ASN 29 -6.367 13.142 19.692
191 HD2 ASN 29 HD2 ASN 29 -6.529 14.312 21.035
192 H ASP 30 H ASP 30 -4.626 14.565 14.657
193 HA ASP 30 HA ASP 30 -6.731 16.188 14.669
194 1HB ASP 30 HB2 ASP 30 -5.706 17.116 12.696
195 2HB ASP 30 HB3 ASP 30 -4.441 16.558 13.778
196 H CYS 31 H CYS 31 -6.417 13.294 13.120
197 HA CYS 31 HA CYS 31 -8.650 13.071 11.417
198 1HB CYS 31 HB2 CYS 31 -6.638 11.704 11.388
199 2HB CYS 31 HB3 CYS 31 -6.880 11.175 13.040
200 H LEU 32 H LEU 32 -8.596 13.274 14.784
201 HA LEU 32 HA LEU 32 -10.118 13.223 16.416
202 1HB LEU 32 HB2 LEU 32 -12.160 13.912 15.973
203 2HB LEU 32 HB3 LEU 32 -11.667 13.900 14.297
204 HG LEU 32 HG LEU 32 -12.607 11.416 14.284
205 HD1 LEU 32 HD1 LEU 32 -13.139 11.314 16.737
206 HD1 LEU 32 HD1 LEU 32 -14.231 12.695 16.536
207 HD1 LEU 32 HD1 LEU 32 -14.575 11.149 15.727
208 HD2 LEU 32 HD2 LEU 32 -14.802 12.309 13.629
209 HD2 LEU 32 HD2 LEU 32 -14.381 13.886 14.339
210 HD2 LEU 32 HD2 LEU 32 -13.477 13.259 12.940
211 H ASP 33 H ASP 33 -10.132 10.545 14.226
212 HA ASP 33 HA ASP 33 -10.676 8.421 16.177
213 1HB ASP 33 HB2 ASP 33 -11.110 7.627 14.085
214 2HB ASP 33 HB3 ASP 33 -10.015 8.731 13.294
215 H ASN 34 H ASN 34 -8.026 10.373 15.127
216 HA ASN 34 HA ASN 34 -5.917 10.659 15.610
217 1HB ASN 34 HB2 ASN 34 -5.947 8.672 17.918
218 2HB ASN 34 HB3 ASN 34 -4.865 10.029 17.665
219 HD2 ASN 34 HD2 ASN 34 -8.217 9.154 18.340
220 HD2 ASN 34 HD2 ASN 34 -8.587 10.597 19.317
221 H SER 35 H SER 35 -5.378 9.754 13.598
222 HA SER 35 HA SER 35 -4.713 6.847 13.588
223 1HB SER 35 HB2 SER 35 -5.614 8.786 11.466
224 2HB SER 35 HB3 SER 35 -4.544 7.467 11.005
225 HG SER 35 HG SER 35 -7.059 7.075 12.431
226 H ASP 36 H ASP 36 -3.608 9.939 12.398
227 HA ASP 36 HA ASP 36 -0.877 9.711 11.997
228 1HB ASP 36 HB2 ASP 36 -1.107 12.127 12.949
229 2HB ASP 36 HB3 ASP 36 -1.893 11.745 11.443
230 H GLU 37 H GLU 37 -2.527 10.700 14.920
231 HA GLU 37 HA GLU 37 -0.138 10.233 16.408
232 1HB GLU 37 HB2 GLU 37 -2.684 11.312 17.546
233 2HB GLU 37 HB3 GLU 37 -0.995 11.575 18.045
234 1HG GLU 37 HG2 GLU 37 -2.249 12.490 15.482
235 2HG GLU 37 HG3 GLU 37 -1.926 13.521 16.861
236 H ALA 38 H ALA 38 -1.919 7.730 15.427
237 HA ALA 38 HA ALA 38 -1.328 6.380 17.969
238 1HB ALA 38 HB1 ALA 38 -3.029 5.723 15.523
239 2HB ALA 38 HB2 ALA 38 -2.644 4.551 16.815
240 3HB ALA 38 HB3 ALA 38 -3.615 5.999 17.177
241 HA PRO 39 HA PRO 39 2.370 5.467 15.578
242 1HB PRO 39 HB2 PRO 39 3.492 3.449 17.051
243 2HB PRO 39 HB3 PRO 39 3.336 5.129 17.635
244 1HG PRO 39 HG2 PRO 39 1.444 2.809 18.160
245 2HG PRO 39 HG3 PRO 39 2.214 3.899 19.364
246 1HD PRO 39 HD2 PRO 39 -0.295 4.360 18.457
247 2HD PRO 39 HD3 PRO 39 0.835 5.720 18.727
248 H ALA 40 H ALA 40 -0.128 4.168 14.753
249 HA ALA 40 HA ALA 40 0.813 1.876 13.111
250 1HB ALA 40 HB1 ALA 40 -1.818 3.441 13.154
251 2HB ALA 40 HB2 ALA 40 -1.440 2.068 12.090
252 3HB ALA 40 HB3 ALA 40 -1.560 1.821 13.844
253 H LEU 41 H LEU 41 0.502 5.360 13.336
254 HA LEU 41 HA LEU 41 1.618 5.682 10.618
255 1HB LEU 41 HB2 LEU 41 -0.720 6.557 11.096
256 2HB LEU 41 HB3 LEU 41 0.004 7.760 12.148
257 HG LEU 41 HG LEU 41 1.015 7.371 9.319
258 HD1 LEU 41 HD1 LEU 41 -1.456 7.683 9.190
259 HD1 LEU 41 HD1 LEU 41 -1.258 9.255 9.982
260 HD1 LEU 41 HD1 LEU 41 -0.516 8.959 8.407
261 HD2 LEU 41 HD2 LEU 41 1.027 9.835 11.062
262 HD2 LEU 41 HD2 LEU 41 2.411 8.806 10.626
263 HD2 LEU 41 HD2 LEU 41 1.597 9.688 9.381
264 H CYS 42 H CYS 42 1.530 8.108 13.428
265 HA CYS 42 HA CYS 42 4.421 7.480 13.671
266 1HB CYS 42 HB2 CYS 42 4.221 9.112 11.848
267 2HB CYS 42 HB3 CYS 42 3.412 10.222 12.941
268 H HIS 43 H HIS 43 1.806 9.565 15.106
269 HA HIS 43 HA HIS 43 1.596 10.440 17.199
270 1HB HIS 43 HB2 HIS 43 1.166 8.041 17.523
271 2HB HIS 43 HB3 HIS 43 2.859 7.755 17.857
272 HD1 HIS 43 HD1 HIS 43 2.857 7.009 20.269
273 HD2 HIS 43 HD2 HIS 43 0.477 10.401 19.555
274 HE1 HIS 43 HE1 HIS 43 1.882 7.712 22.536
275 H GLN 44 H GLN 44 2.646 12.295 17.307
276 HA GLN 44 HA GLN 44 5.472 12.409 18.015
277 1HB GLN 44 HB2 GLN 44 4.475 14.245 16.815
278 2HB GLN 44 HB3 GLN 44 3.421 14.635 18.177
279 1HG GLN 44 HG2 GLN 44 5.144 15.568 19.413
280 2HG GLN 44 HG3 GLN 44 6.347 14.441 18.798
281 HE2 GLN 44 HE2 GLN 44 4.334 17.236 17.418
282 HE2 GLN 44 HE2 GLN 44 5.787 17.790 16.564
283 H HIS 45 H HIS 45 5.531 10.944 19.700
284 HA HIS 45 HA HIS 45 5.041 12.136 22.413
285 1HB HIS 45 HB2 HIS 45 3.416 10.403 21.742
286 2HB HIS 45 HB3 HIS 45 4.723 9.237 21.551
287 HD1 HIS 45 HD1 HIS 45 6.226 9.146 24.035
288 HD2 HIS 45 HD2 HIS 45 2.145 10.120 23.978
289 HE1 HIS 45 HE1 HIS 45 5.287 8.591 26.412
Start of MODEL 8
1 H GLY 1 H GLY 1 2.416 1.990 -6.760
2 1HA GLY 1 HA1 GLY 1 2.543 0.304 -4.971
3 2HA GLY 1 HA2 GLY 1 4.087 1.159 -5.046
4 H SER 2 H SER 2 1.932 3.380 -3.864
5 HA SER 2 HA SER 2 1.907 2.502 -1.054
6 1HB SER 2 HB2 SER 2 2.984 4.565 -0.259
7 2HB SER 2 HB3 SER 2 4.073 3.665 -1.325
8 HG SER 2 HG SER 2 4.025 5.899 -1.828
9 HA PRO 3 HA PRO 3 -1.903 4.810 -1.213
10 1HB PRO 3 HB2 PRO 3 -2.410 5.445 1.382
11 2HB PRO 3 HB3 PRO 3 -2.446 3.770 0.762
12 1HG PRO 3 HG2 PRO 3 -0.177 5.158 2.224
13 2HG PRO 3 HG3 PRO 3 -0.871 3.536 2.535
14 1HD PRO 3 HD2 PRO 3 1.382 3.915 1.030
15 2HD PRO 3 HD3 PRO 3 0.217 2.606 0.674
16 HA PRO 4 HA PRO 4 -0.098 9.015 -1.405
17 1HB PRO 4 HB2 PRO 4 -1.975 10.213 -3.020
18 2HB PRO 4 HB3 PRO 4 -0.750 9.062 -3.636
19 1HG PRO 4 HG2 PRO 4 -3.640 8.506 -2.923
20 2HG PRO 4 HG3 PRO 4 -2.736 8.005 -4.384
21 1HD PRO 4 HD2 PRO 4 -3.096 6.354 -2.230
22 2HD PRO 4 HD3 PRO 4 -1.615 6.305 -3.231
23 H GLN 5 H GLN 5 -3.557 8.618 -0.917
24 HA GLN 5 HA GLN 5 -4.937 9.009 0.776
25 1HB GLN 5 HB2 GLN 5 -2.569 10.144 2.292
26 2HB GLN 5 HB3 GLN 5 -4.170 9.829 2.938
27 1HG GLN 5 HG2 GLN 5 -3.856 7.404 2.089
28 2HG GLN 5 HG3 GLN 5 -2.152 7.826 1.892
29 HE2 GLN 5 HE2 GLN 5 -3.092 5.686 3.598
30 HE2 GLN 5 HE2 GLN 5 -2.726 6.232 5.238
31 H CYS 6 H CYS 6 -3.199 11.863 -0.309
32 HA CYS 6 HA CYS 6 -5.796 13.298 -0.513
33 1HB CYS 6 HB2 CYS 6 -4.594 13.814 1.789
34 2HB CYS 6 HB3 CYS 6 -3.525 14.778 0.818
35 H GLN 7 H GLN 7 -2.333 13.634 -0.801
36 HA GLN 7 HA GLN 7 -2.421 14.209 -3.666
37 1HB GLN 7 HB2 GLN 7 -0.434 15.646 -1.889
38 2HB GLN 7 HB3 GLN 7 -0.968 16.038 -3.526
39 1HG GLN 7 HG2 GLN 7 -3.247 16.649 -2.541
40 2HG GLN 7 HG3 GLN 7 -2.529 16.489 -0.954
41 HE2 GLN 7 HE2 GLN 7 -0.673 17.926 -0.280
42 HE2 GLN 7 HE2 GLN 7 -0.568 19.454 -1.194
43 HA PRO 8 HA PRO 8 0.559 10.958 -3.399
44 1HB PRO 8 HB2 PRO 8 2.772 11.423 -4.897
45 2HB PRO 8 HB3 PRO 8 1.127 11.346 -5.586
46 1HG PRO 8 HG2 PRO 8 2.671 13.832 -4.781
47 2HG PRO 8 HG3 PRO 8 1.843 13.502 -6.337
48 1HD PRO 8 HD2 PRO 8 0.684 14.925 -4.324
49 2HD PRO 8 HD3 PRO 8 -0.287 13.852 -5.381
50 H GLY 9 H GLY 9 0.619 11.671 -1.009
51 1HA GLY 9 HA1 GLY 9 2.686 10.671 0.377
52 2HA GLY 9 HA2 GLY 9 3.369 12.250 -0.033
53 H GLU 10 H GLU 10 0.026 11.372 1.120
54 HA GLU 10 HA GLU 10 0.364 13.505 3.192
55 1HB GLU 10 HB2 GLU 10 -1.863 12.961 1.212
56 2HB GLU 10 HB3 GLU 10 -2.019 14.159 2.471
57 1HG GLU 10 HG2 GLU 10 0.079 14.212 0.231
58 2HG GLU 10 HG3 GLU 10 -1.463 15.027 0.273
59 H PHE 11 H PHE 11 -2.360 13.373 4.343
60 HA PHE 11 HA PHE 11 -2.297 10.750 5.514
61 1HB PHE 11 HB2 PHE 11 -1.294 12.296 6.891
62 2HB PHE 11 HB3 PHE 11 -2.541 13.476 6.703
63 HD1 PHE 11 HD1 PHE 11 -3.016 9.798 7.477
64 HD2 PHE 11 HD2 PHE 11 -3.203 13.880 8.906
65 HE1 PHE 11 HE1 PHE 11 -4.427 9.077 9.359
66 HE2 PHE 11 HE2 PHE 11 -4.604 13.138 10.790
67 HZ PHE 11 HZ PHE 11 -5.270 10.744 10.980
68 H ALA 12 H ALA 12 -3.905 9.552 5.465
69 HA ALA 12 HA ALA 12 -6.697 10.508 5.146
70 1HB ALA 12 HB1 ALA 12 -6.064 8.832 3.539
71 2HB ALA 12 HB2 ALA 12 -5.507 7.744 4.842
72 3HB ALA 12 HB3 ALA 12 -7.225 8.151 4.682
73 H CYS 13 H CYS 13 -7.633 10.973 6.967
74 HA CYS 13 HA CYS 13 -7.263 9.534 9.540
75 1HB CYS 13 HB2 CYS 13 -7.917 11.958 9.340
76 2HB CYS 13 HB3 CYS 13 -9.462 11.389 8.671
77 H ALA 14 H ALA 14 -8.283 7.581 9.920
78 HA ALA 14 HA ALA 14 -9.983 6.310 8.068
79 1HB ALA 14 HB1 ALA 14 -9.675 5.846 11.059
80 2HB ALA 14 HB2 ALA 14 -10.380 4.704 9.889
81 3HB ALA 14 HB3 ALA 14 -8.666 5.150 9.770
82 H ASN 15 H ASN 15 -10.916 8.611 10.620
83 HA ASN 15 HA ASN 15 -13.692 8.272 10.560
84 1HB ASN 15 HB2 ASN 15 -12.384 9.705 12.116
85 2HB ASN 15 HB3 ASN 15 -12.048 10.843 10.819
86 HD2 ASN 15 HD2 ASN 15 -14.837 9.220 12.474
87 HD2 ASN 15 HD2 ASN 15 -15.849 10.658 12.384
88 H SER 16 H SER 16 -11.670 9.609 8.109
89 HA SER 16 HA SER 16 -12.296 9.026 5.904
90 1HB SER 16 HB2 SER 16 -14.852 10.626 6.191
91 2HB SER 16 HB3 SER 16 -14.288 9.744 4.761
92 HG SER 16 HG SER 16 -15.016 8.746 7.281
93 H ARG 17 H ARG 17 -10.502 10.750 6.799
94 HA ARG 17 HA ARG 17 -11.046 13.351 5.346
95 1HB ARG 17 HB2 ARG 17 -9.376 13.318 7.843
96 2HB ARG 17 HB3 ARG 17 -10.201 14.655 7.070
97 1HG ARG 17 HG2 ARG 17 -12.392 13.734 7.691
98 2HG ARG 17 HG3 ARG 17 -11.645 12.317 8.427
99 1HD ARG 17 HD2 ARG 17 -10.495 13.501 10.023
100 2HD ARG 17 HD3 ARG 17 -10.959 15.093 9.375
101 HE ARG 17 HE ARG 17 -12.927 13.105 10.530
102 HH1 ARG 17 HH1 ARG 17 -14.668 13.727 11.350
103 HH1 ARG 17 HH1 ARG 17 -15.100 15.425 11.576
104 HH2 ARG 17 HH2 ARG 17 -13.582 17.010 10.891
105 HH2 ARG 17 HH2 ARG 17 -12.060 16.493 10.212
106 H CYS 18 H CYS 18 -9.742 14.206 3.904
107 HA CYS 18 HA CYS 18 -6.943 13.253 3.978
108 1HB CYS 18 HB2 CYS 18 -6.568 13.270 1.988
109 2HB CYS 18 HB3 CYS 18 -8.296 12.981 1.824
110 H ILE 19 H ILE 19 -5.569 14.294 4.906
111 HA ILE 19 HA ILE 19 -5.376 17.255 4.684
112 HB ILE 19 HB ILE 19 -4.372 17.132 7.072
113 HG2 ILE 19 HG2 ILE 19 -6.308 18.470 6.581
114 HG2 ILE 19 HG2 ILE 19 -7.381 17.060 6.685
115 HG2 ILE 19 HG2 ILE 19 -6.533 17.651 8.136
116 HG1 ILE 19 HG1 ILE 19 -4.671 14.524 7.070
117 HG1 ILE 19 HG1 ILE 19 -4.786 15.468 8.524
118 HD1 ILE 19 HD1 ILE 19 -7.218 14.485 6.986
119 HD1 ILE 19 HD1 ILE 19 -6.486 13.678 8.382
120 HD1 ILE 19 HD1 ILE 19 -7.203 15.282 8.577
121 H GLN 20 H GLN 20 -3.124 17.829 5.206
122 HA GLN 20 HA GLN 20 -1.327 16.041 3.811
123 1HB GLN 20 HB2 GLN 20 0.136 18.099 3.766
124 2HB GLN 20 HB3 GLN 20 -1.474 18.368 3.080
125 1HG GLN 20 HG2 GLN 20 -2.211 19.467 5.172
126 2HG GLN 20 HG3 GLN 20 -0.664 19.091 5.916
127 HE2 GLN 20 HE2 GLN 20 -0.219 20.137 2.642
128 HE2 GLN 20 HE2 GLN 20 0.188 21.794 3.100
129 H GLU 21 H GLU 21 0.665 15.469 4.480
130 HA GLU 21 HA GLU 21 0.682 14.155 6.974
131 1HB GLU 21 HB2 GLU 21 1.780 13.276 5.071
132 2HB GLU 21 HB3 GLU 21 2.818 14.687 4.874
133 1HG GLU 21 HG2 GLU 21 4.238 14.090 6.611
134 2HG GLU 21 HG3 GLU 21 3.065 13.074 7.412
135 H ARG 22 H ARG 22 1.894 17.312 6.313
136 HA ARG 22 HA ARG 22 3.495 17.961 8.584
137 1HB ARG 22 HB2 ARG 22 3.172 19.648 7.020
138 2HB ARG 22 HB3 ARG 22 1.429 19.421 6.968
139 1HG ARG 22 HG2 ARG 22 1.218 20.367 9.257
140 2HG ARG 22 HG3 ARG 22 2.976 20.651 9.299
141 1HD ARG 22 HD2 ARG 22 2.837 22.335 7.652
142 2HD ARG 22 HD3 ARG 22 1.316 21.696 7.023
143 HE ARG 22 HE ARG 22 1.498 22.932 9.736
144 HH1 ARG 22 HH1 ARG 22 -0.167 24.195 10.425
145 HH1 ARG 22 HH1 ARG 22 -1.446 24.632 9.341
146 HH2 ARG 22 HH2 ARG 22 -1.438 23.987 7.232
147 HH2 ARG 22 HH2 ARG 22 -0.261 22.855 6.624
148 H TRP 23 H TRP 23 0.044 17.039 8.547
149 HA TRP 23 HA TRP 23 -0.315 17.862 11.345
150 1HB TRP 23 HB2 TRP 23 -2.271 16.752 9.290
151 2HB TRP 23 HB3 TRP 23 -2.635 17.521 10.813
152 HD1 TRP 23 HD1 TRP 23 -0.409 19.208 8.177
153 HE1 TRP 23 HE1 TRP 23 -1.607 21.213 7.178
154 HE3 TRP 23 HE3 TRP 23 -4.925 18.610 10.457
155 HZ2 TRP 23 HZ2 TRP 23 -4.218 22.429 7.348
156 HZ3 TRP 23 HZ3 TRP 23 -6.778 20.180 9.986
157 HH2 TRP 23 HH2 TRP 23 -6.444 22.094 8.433
158 H LYS 24 H LYS 24 0.809 14.986 9.893
159 HA LYS 24 HA LYS 24 -0.449 13.038 11.594
160 1HB LYS 24 HB2 LYS 24 1.981 13.075 9.740
161 2HB LYS 24 HB3 LYS 24 1.516 11.684 10.689
162 1HG LYS 24 HG2 LYS 24 -0.556 11.417 9.470
163 2HG LYS 24 HG3 LYS 24 -0.313 12.961 8.659
164 1HD LYS 24 HD2 LYS 24 1.072 12.099 7.111
165 2HD LYS 24 HD3 LYS 24 1.989 11.146 8.263
166 1HE LYS 24 HE2 LYS 24 0.573 9.290 8.011
167 2HE LYS 24 HE3 LYS 24 -0.713 10.234 7.236
168 1HZ LYS 24 HZ1 LYS 24 0.441 10.294 5.253
169 2HZ LYS 24 HZ2 LYS 24 1.921 10.178 5.943
170 3HZ LYS 24 HZ3 LYS 24 0.950 8.835 5.791
171 H CYS 25 H CYS 25 0.491 12.304 13.412
172 HA CYS 25 HA CYS 25 1.447 12.750 15.436
173 1HB CYS 25 HB2 CYS 25 3.901 12.420 15.550
174 2HB CYS 25 HB3 CYS 25 2.878 11.116 14.965
175 H ASP 26 H ASP 26 0.545 15.077 14.925
176 HA ASP 26 HA ASP 26 2.666 16.940 15.823
177 1HB ASP 26 HB2 ASP 26 0.574 18.541 15.856
178 2HB ASP 26 HB3 ASP 26 1.338 18.147 14.322
179 H GLY 27 H GLY 27 0.520 14.552 16.995
180 1HA GLY 27 HA1 GLY 27 0.019 14.082 19.230
181 2HA GLY 27 HA2 GLY 27 0.404 15.737 19.710
182 H ASP 28 H ASP 28 -1.561 15.604 16.729
183 HA ASP 28 HA ASP 28 -3.848 16.401 18.461
184 1HB ASP 28 HB2 ASP 28 -2.531 18.180 17.164
185 2HB ASP 28 HB3 ASP 28 -3.357 17.560 15.735
186 H ASN 29 H ASN 29 -5.678 15.647 18.284
187 HA ASN 29 HA ASN 29 -6.685 13.895 16.232
188 1HB ASN 29 HB2 ASN 29 -8.844 14.260 17.335
189 2HB ASN 29 HB3 ASN 29 -7.606 13.601 18.341
190 HD2 ASN 29 HD2 ASN 29 -6.997 17.136 18.236
191 HD2 ASN 29 HD2 ASN 29 -8.024 17.344 19.645
192 H ASP 30 H ASP 30 -5.480 16.041 15.150
193 HA ASP 30 HA ASP 30 -7.109 17.669 13.471
194 1HB ASP 30 HB2 ASP 30 -5.010 17.976 12.713
195 2HB ASP 30 HB3 ASP 30 -4.430 16.744 13.821
196 H CYS 31 H CYS 31 -6.138 14.208 13.468
197 HA CYS 31 HA CYS 31 -8.602 13.456 12.052
198 1HB CYS 31 HB2 CYS 31 -6.567 12.222 11.718
199 2HB CYS 31 HB3 CYS 31 -6.481 11.828 13.461
200 H LEU 32 H LEU 32 -10.418 13.707 13.100
201 HA LEU 32 HA LEU 32 -11.024 13.774 15.783
202 1HB LEU 32 HB2 LEU 32 -12.562 14.364 14.006
203 2HB LEU 32 HB3 LEU 32 -12.607 12.697 13.433
204 HG LEU 32 HG LEU 32 -13.793 11.969 15.446
205 HD1 LEU 32 HD1 LEU 32 -14.707 13.683 17.040
206 HD1 LEU 32 HD1 LEU 32 -12.947 13.651 17.109
207 HD1 LEU 32 HD1 LEU 32 -13.765 14.949 16.219
208 HD2 LEU 32 HD2 LEU 32 -15.104 12.749 13.527
209 HD2 LEU 32 HD2 LEU 32 -15.923 13.136 15.043
210 HD2 LEU 32 HD2 LEU 32 -15.071 14.415 14.153
211 H ASP 33 H ASP 33 -9.957 10.862 14.166
212 HA ASP 33 HA ASP 33 -11.074 9.207 16.401
213 1HB ASP 33 HB2 ASP 33 -10.994 7.305 15.047
214 2HB ASP 33 HB3 ASP 33 -11.780 8.602 14.130
215 H ASN 34 H ASN 34 -8.317 10.836 15.671
216 HA ASN 34 HA ASN 34 -6.104 10.677 15.989
217 1HB ASN 34 HB2 ASN 34 -6.831 8.793 18.287
218 2HB ASN 34 HB3 ASN 34 -5.282 9.577 18.054
219 HD2 ASN 34 HD2 ASN 34 -8.756 10.302 18.609
220 HD2 ASN 34 HD2 ASN 34 -8.388 11.777 19.523
221 H SER 35 H SER 35 -6.145 9.586 13.795
222 HA SER 35 HA SER 35 -5.705 6.688 13.842
223 1HB SER 35 HB2 SER 35 -5.839 8.775 11.629
224 2HB SER 35 HB3 SER 35 -5.205 7.156 11.361
225 HG SER 35 HG SER 35 -7.808 7.414 12.564
226 H ASP 36 H ASP 36 -4.074 9.650 12.716
227 HA ASP 36 HA ASP 36 -1.629 8.534 12.224
228 1HB ASP 36 HB2 ASP 36 -0.933 10.855 12.079
229 2HB ASP 36 HB3 ASP 36 -2.330 10.434 11.124
230 H GLU 37 H GLU 37 -2.709 10.531 14.887
231 HA GLU 37 HA GLU 37 -0.468 10.412 16.558
232 1HB GLU 37 HB2 GLU 37 -3.384 10.676 17.363
233 2HB GLU 37 HB3 GLU 37 -1.971 11.227 18.274
234 1HG GLU 37 HG2 GLU 37 -2.976 12.231 15.621
235 2HG GLU 37 HG3 GLU 37 -2.998 13.102 17.175
236 H ALA 38 H ALA 38 -2.206 7.516 15.708
237 HA ALA 38 HA ALA 38 -1.060 6.329 18.137
238 1HB ALA 38 HB1 ALA 38 -3.504 6.041 17.889
239 2HB ALA 38 HB2 ALA 38 -3.269 5.371 16.265
240 3HB ALA 38 HB3 ALA 38 -2.649 4.497 17.680
241 HA PRO 39 HA PRO 39 2.107 4.946 15.461
242 1HB PRO 39 HB2 PRO 39 3.239 2.911 16.874
243 2HB PRO 39 HB3 PRO 39 3.182 4.591 17.475
244 1HG PRO 39 HG2 PRO 39 1.229 2.344 18.102
245 2HG PRO 39 HG3 PRO 39 2.128 3.378 19.265
246 1HD PRO 39 HD2 PRO 39 -0.406 3.978 18.526
247 2HD PRO 39 HD3 PRO 39 0.814 5.264 18.751
248 H ALA 40 H ALA 40 -0.570 3.731 14.935
249 HA ALA 40 HA ALA 40 0.131 1.390 13.246
250 1HB ALA 40 HB1 ALA 40 -2.344 3.185 13.368
251 2HB ALA 40 HB2 ALA 40 -2.135 1.767 12.318
252 3HB ALA 40 HB3 ALA 40 -2.200 1.560 14.079
253 H LEU 41 H LEU 41 0.123 4.898 13.411
254 HA LEU 41 HA LEU 41 1.174 5.126 10.644
255 1HB LEU 41 HB2 LEU 41 -1.124 5.975 11.114
256 2HB LEU 41 HB3 LEU 41 -0.447 7.016 12.340
257 HG LEU 41 HG LEU 41 0.602 7.190 9.506
258 HD1 LEU 41 HD1 LEU 41 -2.161 8.065 10.291
259 HD1 LEU 41 HD1 LEU 41 -1.250 9.053 9.157
260 HD1 LEU 41 HD1 LEU 41 -1.571 7.348 8.803
261 HD2 LEU 41 HD2 LEU 41 0.674 9.657 10.108
262 HD2 LEU 41 HD2 LEU 41 0.515 9.112 11.779
263 HD2 LEU 41 HD2 LEU 41 1.852 8.552 10.753
264 H CYS 42 H CYS 42 1.120 7.551 13.502
265 HA CYS 42 HA CYS 42 4.069 7.128 13.560
266 1HB CYS 42 HB2 CYS 42 3.542 8.907 11.993
267 2HB CYS 42 HB3 CYS 42 2.592 9.735 13.221
268 H HIS 43 H HIS 43 1.490 8.997 15.295
269 HA HIS 43 HA HIS 43 1.409 9.810 17.412
270 1HB HIS 43 HB2 HIS 43 1.153 7.383 17.886
271 2HB HIS 43 HB3 HIS 43 2.884 7.216 18.104
272 HD1 HIS 43 HD1 HIS 43 -0.015 9.085 19.774
273 HD2 HIS 43 HD2 HIS 43 3.727 7.348 20.541
274 HE1 HIS 43 HE1 HIS 43 0.449 9.404 22.317
275 H GLN 44 H GLN 44 2.672 10.347 19.437
276 HA GLN 44 HA GLN 44 4.095 11.903 20.315
277 1HB GLN 44 HB2 GLN 44 4.729 9.599 20.910
278 2HB GLN 44 HB3 GLN 44 5.986 9.621 19.672
279 1HG GLN 44 HG2 GLN 44 7.091 11.508 20.876
280 2HG GLN 44 HG3 GLN 44 5.787 11.510 22.071
281 HE2 GLN 44 HE2 GLN 44 5.410 8.942 22.922
282 HE2 GLN 44 HE2 GLN 44 6.986 8.306 23.426
283 H HIS 45 H HIS 45 4.062 13.665 18.854
284 HA HIS 45 HA HIS 45 5.721 14.297 16.759
285 1HB HIS 45 HB2 HIS 45 3.912 15.691 17.881
286 2HB HIS 45 HB3 HIS 45 5.106 16.166 19.088
287 HD1 HIS 45 HD1 HIS 45 4.751 16.213 15.257
288 HD2 HIS 45 HD2 HIS 45 6.385 18.399 18.454
289 HE1 HIS 45 HE1 HIS 45 5.763 18.386 14.243
Start of MODEL 9
1 H GLY 1 H GLY 1 3.236 4.473 -6.381
2 1HA GLY 1 HA1 GLY 1 2.468 1.947 -5.444
3 2HA GLY 1 HA2 GLY 1 4.203 2.149 -5.128
4 H SER 2 H SER 2 2.926 1.861 -2.962
5 HA SER 2 HA SER 2 2.408 2.575 -0.903
6 1HB SER 2 HB2 SER 2 3.465 5.255 -1.870
7 2HB SER 2 HB3 SER 2 2.973 4.939 -0.210
8 HG SER 2 HG SER 2 5.253 4.573 -0.736
9 HA PRO 3 HA PRO 3 -1.733 4.264 -1.029
10 1HB PRO 3 HB2 PRO 3 -2.178 5.112 1.538
11 2HB PRO 3 HB3 PRO 3 -2.103 3.393 1.052
12 1HG PRO 3 HG2 PRO 3 0.108 5.073 2.273
13 2HG PRO 3 HG3 PRO 3 -0.421 3.427 2.735
14 1HD PRO 3 HD2 PRO 3 1.718 3.863 1.115
15 2HD PRO 3 HD3 PRO 3 0.637 2.465 0.867
16 HA PRO 4 HA PRO 4 -0.119 8.377 -1.996
17 1HB PRO 4 HB2 PRO 4 -2.107 9.304 -3.669
18 2HB PRO 4 HB3 PRO 4 -0.901 8.073 -4.139
19 1HG PRO 4 HG2 PRO 4 -3.739 7.639 -3.165
20 2HG PRO 4 HG3 PRO 4 -2.919 6.893 -4.572
21 1HD PRO 4 HD2 PRO 4 -3.121 5.616 -2.173
22 2HD PRO 4 HD3 PRO 4 -1.675 5.452 -3.210
23 H GLN 5 H GLN 5 -3.610 8.383 -1.333
24 HA GLN 5 HA GLN 5 -4.930 9.445 0.192
25 1HB GLN 5 HB2 GLN 5 -2.335 10.163 1.587
26 2HB GLN 5 HB3 GLN 5 -3.940 10.241 2.302
27 1HG GLN 5 HG2 GLN 5 -4.132 7.839 2.324
28 2HG GLN 5 HG3 GLN 5 -2.797 7.627 1.225
29 HE2 GLN 5 HE2 GLN 5 -0.706 7.384 1.994
30 HE2 GLN 5 HE2 GLN 5 -0.414 7.415 3.745
31 H CYS 6 H CYS 6 -6.026 11.241 -0.563
32 HA CYS 6 HA CYS 6 -6.585 13.327 -1.164
33 1HB CYS 6 HB2 CYS 6 -4.814 13.751 0.932
34 2HB CYS 6 HB3 CYS 6 -4.115 14.726 -0.312
35 H GLN 7 H GLN 7 -3.119 13.053 -1.713
36 HA GLN 7 HA GLN 7 -3.269 13.561 -4.597
37 1HB GLN 7 HB2 GLN 7 -1.401 15.206 -2.836
38 2HB GLN 7 HB3 GLN 7 -1.796 15.421 -4.554
39 1HG GLN 7 HG2 GLN 7 -4.142 16.030 -3.896
40 2HG GLN 7 HG3 GLN 7 -3.620 16.015 -2.208
41 HE2 GLN 7 HE2 GLN 7 -4.407 18.370 -2.325
42 HE2 GLN 7 HE2 GLN 7 -3.195 19.496 -2.956
43 HA PRO 8 HA PRO 8 0.089 10.602 -4.107
44 1HB PRO 8 HB2 PRO 8 2.295 11.213 -5.529
45 2HB PRO 8 HB3 PRO 8 0.705 10.972 -6.305
46 1HG PRO 8 HG2 PRO 8 2.014 13.599 -5.552
47 2HG PRO 8 HG3 PRO 8 1.254 13.147 -7.110
48 1HD PRO 8 HD2 PRO 8 -0.008 14.540 -5.107
49 2HD PRO 8 HD3 PRO 8 -0.902 13.486 -6.252
50 H GLY 9 H GLY 9 -0.041 11.397 -1.719
51 1HA GLY 9 HA1 GLY 9 1.911 10.741 -0.218
52 2HA GLY 9 HA2 GLY 9 2.696 12.214 -0.803
53 H GLU 10 H GLU 10 -0.588 11.614 0.624
54 HA GLU 10 HA GLU 10 0.203 13.608 2.734
55 1HB GLU 10 HB2 GLU 10 -2.409 13.643 1.222
56 2HB GLU 10 HB3 GLU 10 -2.101 14.626 2.568
57 1HG GLU 10 HG2 GLU 10 -0.245 14.732 0.129
58 2HG GLU 10 HG3 GLU 10 -1.762 15.547 0.163
59 H PHE 11 H PHE 11 -2.418 13.476 4.220
60 HA PHE 11 HA PHE 11 -2.200 10.788 5.270
61 1HB PHE 11 HB2 PHE 11 -1.254 12.321 6.713
62 2HB PHE 11 HB3 PHE 11 -2.519 13.483 6.530
63 HD1 PHE 11 HD1 PHE 11 -3.135 9.816 7.291
64 HD2 PHE 11 HD2 PHE 11 -2.941 13.859 8.824
65 HE1 PHE 11 HE1 PHE 11 -4.405 9.138 9.285
66 HE2 PHE 11 HE2 PHE 11 -4.160 13.129 10.831
67 HZ PHE 11 HZ PHE 11 -4.941 10.827 11.054
68 H ALA 12 H ALA 12 -3.763 9.492 5.128
69 HA ALA 12 HA ALA 12 -6.592 10.337 4.911
70 1HB ALA 12 HB1 ALA 12 -7.001 7.936 4.477
71 2HB ALA 12 HB2 ALA 12 -5.931 8.717 3.304
72 3HB ALA 12 HB3 ALA 12 -5.250 7.650 4.568
73 H CYS 13 H CYS 13 -7.541 10.743 6.735
74 HA CYS 13 HA CYS 13 -6.982 9.592 9.368
75 1HB CYS 13 HB2 CYS 13 -7.573 11.933 9.056
76 2HB CYS 13 HB3 CYS 13 -9.004 11.462 8.149
77 H ALA 14 H ALA 14 -8.043 7.755 10.182
78 HA ALA 14 HA ALA 14 -10.049 6.367 8.758
79 1HB ALA 14 HB1 ALA 14 -9.409 6.235 11.721
80 2HB ALA 14 HB2 ALA 14 -10.232 5.004 10.753
81 3HB ALA 14 HB3 ALA 14 -8.526 5.379 10.438
82 H ASN 15 H ASN 15 -10.588 9.305 10.558
83 HA ASN 15 HA ASN 15 -13.433 8.769 11.015
84 1HB ASN 15 HB2 ASN 15 -12.390 10.565 12.288
85 2HB ASN 15 HB3 ASN 15 -11.952 11.440 10.834
86 HD2 ASN 15 HD2 ASN 15 -14.834 10.214 12.614
87 HD2 ASN 15 HD2 ASN 15 -15.837 11.534 12.013
88 H SER 16 H SER 16 -11.496 9.616 8.294
89 HA SER 16 HA SER 16 -12.138 8.629 6.230
90 1HB SER 16 HB2 SER 16 -14.734 10.195 6.296
91 2HB SER 16 HB3 SER 16 -14.168 9.093 5.027
92 HG SER 16 HG SER 16 -14.837 8.530 7.696
93 H ARG 17 H ARG 17 -10.393 10.458 6.768
94 HA ARG 17 HA ARG 17 -11.104 12.929 5.155
95 1HB ARG 17 HB2 ARG 17 -9.518 13.399 7.648
96 2HB ARG 17 HB3 ARG 17 -10.547 14.479 6.764
97 1HG ARG 17 HG2 ARG 17 -11.567 12.148 8.449
98 2HG ARG 17 HG3 ARG 17 -11.399 13.785 9.031
99 1HD ARG 17 HD2 ARG 17 -13.100 13.180 6.586
100 2HD ARG 17 HD3 ARG 17 -13.739 12.987 8.207
101 HE ARG 17 HE ARG 17 -13.046 15.494 6.836
102 HH1 ARG 17 HH1 ARG 17 -13.586 17.447 7.762
103 HH1 ARG 17 HH1 ARG 17 -14.207 17.492 9.384
104 HH2 ARG 17 HH2 ARG 17 -14.438 15.657 10.598
105 HH2 ARG 17 HH2 ARG 17 -14.050 14.092 9.953
106 H CYS 18 H CYS 18 -9.779 14.053 3.881
107 HA CYS 18 HA CYS 18 -6.962 13.142 3.955
108 1HB CYS 18 HB2 CYS 18 -6.520 13.237 1.934
109 2HB CYS 18 HB3 CYS 18 -8.150 12.583 1.892
110 H ILE 19 H ILE 19 -5.618 14.210 4.843
111 HA ILE 19 HA ILE 19 -5.552 17.194 4.732
112 HB ILE 19 HB ILE 19 -4.668 17.113 7.123
113 HG2 ILE 19 HG2 ILE 19 -6.971 17.200 8.128
114 HG2 ILE 19 HG2 ILE 19 -6.792 18.151 6.640
115 HG2 ILE 19 HG2 ILE 19 -7.628 16.586 6.600
116 HG1 ILE 19 HG1 ILE 19 -4.536 14.521 7.093
117 HG1 ILE 19 HG1 ILE 19 -4.938 15.364 8.561
118 HD1 ILE 19 HD1 ILE 19 -7.031 14.029 6.829
119 HD1 ILE 19 HD1 ILE 19 -6.215 13.310 8.220
120 HD1 ILE 19 HD1 ILE 19 -7.245 14.735 8.446
121 H GLN 20 H GLN 20 -3.333 17.855 5.415
122 HA GLN 20 HA GLN 20 -1.475 16.389 3.804
123 1HB GLN 20 HB2 GLN 20 -0.144 18.478 3.954
124 2HB GLN 20 HB3 GLN 20 -1.829 18.814 3.525
125 1HG GLN 20 HG2 GLN 20 -2.298 19.375 5.930
126 2HG GLN 20 HG3 GLN 20 -0.599 19.081 6.304
127 HE2 GLN 20 HE2 GLN 20 -0.659 20.714 3.308
128 HE2 GLN 20 HE2 GLN 20 -0.448 22.308 4.048
129 H GLU 21 H GLU 21 0.525 15.780 4.268
130 HA GLU 21 HA GLU 21 0.851 14.149 6.516
131 1HB GLU 21 HB2 GLU 21 1.783 13.687 4.372
132 2HB GLU 21 HB3 GLU 21 2.803 15.126 4.395
133 1HG GLU 21 HG2 GLU 21 4.351 14.196 5.833
134 2HG GLU 21 HG3 GLU 21 3.210 13.114 6.593
135 H ARG 22 H ARG 22 1.655 17.561 6.511
136 HA ARG 22 HA ARG 22 3.568 17.626 8.652
137 1HB ARG 22 HB2 ARG 22 3.055 19.709 7.712
138 2HB ARG 22 HB3 ARG 22 1.333 19.418 7.736
139 1HG ARG 22 HG2 ARG 22 1.659 19.381 10.380
140 2HG ARG 22 HG3 ARG 22 3.161 20.236 10.021
141 1HD ARG 22 HD2 ARG 22 1.964 22.139 9.827
142 2HD ARG 22 HD3 ARG 22 0.920 21.409 8.624
143 HE ARG 22 HE ARG 22 -0.744 21.306 10.194
144 HH1 ARG 22 HH1 ARG 22 -1.834 20.432 11.996
145 HH1 ARG 22 HH1 ARG 22 -0.816 20.021 13.376
146 HH2 ARG 22 HH2 ARG 22 1.087 20.202 13.495
147 HH2 ARG 22 HH2 ARG 22 2.159 20.876 12.242
148 H TRP 23 H TRP 23 0.112 16.703 8.584
149 HA TRP 23 HA TRP 23 -0.200 17.099 11.430
150 1HB TRP 23 HB2 TRP 23 -2.078 16.059 9.318
151 2HB TRP 23 HB3 TRP 23 -2.477 16.614 10.935
152 HD1 TRP 23 HD1 TRP 23 -0.302 18.900 8.867
153 HE1 TRP 23 HE1 TRP 23 -1.600 20.901 7.956
154 HE3 TRP 23 HE3 TRP 23 -5.019 17.452 10.139
155 HZ2 TRP 23 HZ2 TRP 23 -4.247 21.930 8.141
156 HZ3 TRP 23 HZ3 TRP 23 -6.912 18.994 9.825
157 HH2 TRP 23 HH2 TRP 23 -6.556 21.238 8.812
158 H LYS 24 H LYS 24 1.222 14.550 9.522
159 HA LYS 24 HA LYS 24 0.464 12.334 11.240
160 1HB LYS 24 HB2 LYS 24 2.568 12.732 9.047
161 2HB LYS 24 HB3 LYS 24 2.204 11.216 9.826
162 1HG LYS 24 HG2 LYS 24 -0.076 11.213 8.866
163 2HG LYS 24 HG3 LYS 24 0.192 12.815 8.240
164 1HD LYS 24 HD2 LYS 24 1.206 12.074 6.405
165 2HD LYS 24 HD3 LYS 24 2.337 11.075 7.311
166 1HE LYS 24 HE2 LYS 24 0.894 9.197 7.212
167 2HE LYS 24 HE3 LYS 24 -0.476 10.164 6.627
168 1HZ LYS 24 HZ1 LYS 24 0.412 10.285 4.532
169 2HZ LYS 24 HZ2 LYS 24 1.962 10.333 5.041
170 3HZ LYS 24 HZ3 LYS 24 1.171 8.882 4.964
171 H CYS 25 H CYS 25 1.529 12.094 13.112
172 HA CYS 25 HA CYS 25 3.137 12.168 14.749
173 1HB CYS 25 HB2 CYS 25 5.134 13.491 12.895
174 2HB CYS 25 HB3 CYS 25 5.465 12.526 14.308
175 H ASP 26 H ASP 26 1.417 14.620 14.032
176 HA ASP 26 HA ASP 26 3.166 16.942 14.594
177 1HB ASP 26 HB2 ASP 26 1.788 17.864 13.197
178 2HB ASP 26 HB3 ASP 26 0.836 16.432 13.072
179 H GLY 27 H GLY 27 1.098 14.744 16.235
180 1HA GLY 27 HA1 GLY 27 1.141 14.484 18.590
181 2HA GLY 27 HA2 GLY 27 1.613 16.171 18.795
182 H ASP 28 H ASP 28 -1.016 16.248 16.589
183 HA ASP 28 HA ASP 28 -2.969 16.119 18.816
184 1HB ASP 28 HB2 ASP 28 -2.468 18.467 18.063
185 2HB ASP 28 HB3 ASP 28 -3.201 18.052 16.512
186 H ASN 29 H ASN 29 -4.942 15.575 18.418
187 HA ASN 29 HA ASN 29 -5.669 13.560 16.452
188 1HB ASN 29 HB2 ASN 29 -7.906 14.835 17.913
189 2HB ASN 29 HB3 ASN 29 -7.483 13.183 17.710
190 HD2 ASN 29 HD2 ASN 29 -6.107 16.109 19.638
191 HD2 ASN 29 HD2 ASN 29 -6.039 15.058 21.054
192 H ASP 30 H ASP 30 -4.755 15.433 14.935
193 HA ASP 30 HA ASP 30 -6.431 17.553 14.048
194 1HB ASP 30 HB2 ASP 30 -4.832 17.642 12.330
195 2HB ASP 30 HB3 ASP 30 -3.956 16.945 13.689
196 H CYS 31 H CYS 31 -6.362 14.176 13.495
197 HA CYS 31 HA CYS 31 -8.433 13.918 11.559
198 1HB CYS 31 HB2 CYS 31 -6.562 12.429 11.745
199 2HB CYS 31 HB3 CYS 31 -6.919 12.075 13.429
200 H LEU 32 H LEU 32 -8.774 14.552 14.883
201 HA LEU 32 HA LEU 32 -10.368 14.384 16.412
202 1HB LEU 32 HB2 LEU 32 -12.334 15.187 15.786
203 2HB LEU 32 HB3 LEU 32 -11.613 15.232 14.194
204 HG LEU 32 HG LEU 32 -12.711 12.794 13.956
205 HD1 LEU 32 HD1 LEU 32 -14.893 12.685 15.064
206 HD1 LEU 32 HD1 LEU 32 -13.620 12.717 16.287
207 HD1 LEU 32 HD1 LEU 32 -14.552 14.186 15.953
208 HD2 LEU 32 HD2 LEU 32 -13.177 14.707 12.533
209 HD2 LEU 32 HD2 LEU 32 -14.691 13.905 12.985
210 HD2 LEU 32 HD2 LEU 32 -14.225 15.426 13.782
211 H ASP 33 H ASP 33 -10.343 11.665 14.243
212 HA ASP 33 HA ASP 33 -11.398 9.673 16.141
213 1HB ASP 33 HB2 ASP 33 -11.814 8.952 14.018
214 2HB ASP 33 HB3 ASP 33 -10.494 9.852 13.312
215 H ASN 34 H ASN 34 -8.476 11.246 15.430
216 HA ASN 34 HA ASN 34 -6.311 11.089 15.931
217 1HB ASN 34 HB2 ASN 34 -7.250 11.032 18.314
218 2HB ASN 34 HB3 ASN 34 -7.008 9.289 18.277
219 HD2 ASN 34 HD2 ASN 34 -5.612 11.751 19.733
220 HD2 ASN 34 HD2 ASN 34 -3.913 11.299 19.422
221 H SER 35 H SER 35 -5.786 10.151 14.009
222 HA SER 35 HA SER 35 -5.393 7.209 14.043
223 1HB SER 35 HB2 SER 35 -5.940 9.193 11.825
224 2HB SER 35 HB3 SER 35 -5.062 7.713 11.483
225 HG SER 35 HG SER 35 -7.711 7.744 12.722
226 H ASP 36 H ASP 36 -3.970 10.189 12.902
227 HA ASP 36 HA ASP 36 -1.332 9.683 12.369
228 1HB ASP 36 HB2 ASP 36 -1.242 12.113 13.383
229 2HB ASP 36 HB3 ASP 36 -2.075 11.819 11.882
230 H GLU 37 H GLU 37 -2.596 10.919 15.399
231 HA GLU 37 HA GLU 37 -0.151 10.168 16.682
232 1HB GLU 37 HB2 GLU 37 -2.393 11.554 18.092
233 2HB GLU 37 HB3 GLU 37 -0.633 11.664 18.305
234 1HG GLU 37 HG2 GLU 37 -2.178 12.581 15.884
235 2HG GLU 37 HG3 GLU 37 -1.595 13.638 17.137
236 H ALA 38 H ALA 38 -2.306 7.918 15.922
237 HA ALA 38 HA ALA 38 -1.706 6.510 18.427
238 1HB ALA 38 HB1 ALA 38 -3.390 4.914 17.494
239 2HB ALA 38 HB2 ALA 38 -4.090 6.532 17.766
240 3HB ALA 38 HB3 ALA 38 -3.653 6.028 16.127
241 HA PRO 39 HA PRO 39 1.702 5.241 15.824
242 1HB PRO 39 HB2 PRO 39 2.768 3.177 17.271
243 2HB PRO 39 HB3 PRO 39 2.773 4.874 17.821
244 1HG PRO 39 HG2 PRO 39 0.758 2.710 18.523
245 2HG PRO 39 HG3 PRO 39 1.678 3.767 19.648
246 1HD PRO 39 HD2 PRO 39 -0.845 4.387 18.886
247 2HD PRO 39 HD3 PRO 39 0.395 5.664 19.056
248 H ALA 40 H ALA 40 -0.949 4.066 15.240
249 HA ALA 40 HA ALA 40 -0.269 1.682 13.594
250 1HB ALA 40 HB1 ALA 40 -2.576 1.805 14.502
251 2HB ALA 40 HB2 ALA 40 -2.789 3.411 13.767
252 3HB ALA 40 HB3 ALA 40 -2.576 1.979 12.735
253 H LEU 41 H LEU 41 -0.356 5.184 13.689
254 HA LEU 41 HA LEU 41 0.643 5.314 10.901
255 1HB LEU 41 HB2 LEU 41 -1.574 6.431 11.438
256 2HB LEU 41 HB3 LEU 41 -0.702 7.588 12.427
257 HG LEU 41 HG LEU 41 0.118 7.026 9.557
258 HD1 LEU 41 HD1 LEU 41 -1.909 9.121 10.377
259 HD1 LEU 41 HD1 LEU 41 -1.250 8.865 8.756
260 HD1 LEU 41 HD1 LEU 41 -2.269 7.624 9.496
261 HD2 LEU 41 HD2 LEU 41 0.916 9.339 9.565
262 HD2 LEU 41 HD2 LEU 41 0.535 9.465 11.299
263 HD2 LEU 41 HD2 LEU 41 1.762 8.321 10.692
264 H CYS 42 H CYS 42 0.898 7.778 13.672
265 HA CYS 42 HA CYS 42 3.776 7.087 13.670
266 1HB CYS 42 HB2 CYS 42 3.247 8.989 12.172
267 2HB CYS 42 HB3 CYS 42 2.638 9.887 13.568
268 H HIS 43 H HIS 43 1.488 9.240 15.461
269 HA HIS 43 HA HIS 43 1.636 10.110 17.559
270 1HB HIS 43 HB2 HIS 43 0.925 7.767 18.094
271 2HB HIS 43 HB3 HIS 43 2.600 7.313 18.314
272 HD1 HIS 43 HD1 HIS 43 -0.218 8.969 20.103
273 HD2 HIS 43 HD2 HIS 43 3.911 8.296 20.536
274 HE1 HIS 43 HE1 HIS 43 0.365 9.430 22.597
275 H GLN 44 H GLN 44 3.141 11.697 17.158
276 HA GLN 44 HA GLN 44 5.899 11.199 18.163
277 1HB GLN 44 HB2 GLN 44 5.584 12.960 16.534
278 2HB GLN 44 HB3 GLN 44 4.489 13.838 17.633
279 1HG GLN 44 HG2 GLN 44 6.300 14.191 19.227
280 2HG GLN 44 HG3 GLN 44 7.361 13.096 18.343
281 HE2 GLN 44 HE2 GLN 44 5.672 15.237 16.068
282 HE2 GLN 44 HE2 GLN 44 7.049 16.352 16.044
283 H HIS 45 H HIS 45 2.834 12.512 19.396
284 HA HIS 45 HA HIS 45 3.548 11.666 22.102
285 1HB HIS 45 HB2 HIS 45 4.538 14.053 21.720
286 2HB HIS 45 HB3 HIS 45 2.870 14.613 21.788
287 HD1 HIS 45 HD1 HIS 45 1.922 12.757 24.207
288 HD2 HIS 45 HD2 HIS 45 5.517 14.922 23.976
289 HE1 HIS 45 HE1 HIS 45 2.734 13.134 26.651
Start of MODEL 10
1 H GLY 1 H GLY 1 2.256 0.431 -5.672
2 1HA GLY 1 HA1 GLY 1 2.221 -1.107 -3.603
3 2HA GLY 1 HA2 GLY 1 3.646 -0.071 -3.745
4 H SER 2 H SER 2 1.111 1.961 -3.083
5 HA SER 2 HA SER 2 0.546 1.530 -0.306
6 1HB SER 2 HB2 SER 2 2.698 3.566 -1.027
7 2HB SER 2 HB3 SER 2 1.720 3.734 0.441
8 HG SER 2 HG SER 2 2.946 1.263 -0.170
9 HA PRO 3 HA PRO 3 -2.574 4.476 -1.540
10 1HB PRO 3 HB2 PRO 3 -3.319 5.731 0.782
11 2HB PRO 3 HB3 PRO 3 -3.727 4.031 0.404
12 1HG PRO 3 HG2 PRO 3 -1.423 5.055 2.093
13 2HG PRO 3 HG3 PRO 3 -2.592 3.753 2.486
14 1HD PRO 3 HD2 PRO 3 -0.127 3.213 1.468
15 2HD PRO 3 HD3 PRO 3 -1.551 2.243 0.996
16 HA PRO 4 HA PRO 4 0.028 8.200 -2.044
17 1HB PRO 4 HB2 PRO 4 -1.605 9.671 -3.669
18 2HB PRO 4 HB3 PRO 4 -0.730 8.225 -4.237
19 1HG PRO 4 HG2 PRO 4 -3.616 8.426 -3.327
20 2HG PRO 4 HG3 PRO 4 -2.970 7.643 -4.804
21 1HD PRO 4 HD2 PRO 4 -3.545 6.233 -2.536
22 2HD PRO 4 HD3 PRO 4 -2.162 5.794 -3.586
23 H GLN 5 H GLN 5 -3.354 8.462 -1.087
24 HA GLN 5 HA GLN 5 -4.456 9.665 0.508
25 1HB GLN 5 HB2 GLN 5 -1.707 10.210 1.681
26 2HB GLN 5 HB3 GLN 5 -3.256 10.401 2.508
27 1HG GLN 5 HG2 GLN 5 -3.605 7.913 2.263
28 2HG GLN 5 HG3 GLN 5 -2.008 7.793 1.535
29 HE2 GLN 5 HE2 GLN 5 -3.686 7.636 4.549
30 HE2 GLN 5 HE2 GLN 5 -2.184 7.637 5.480
31 H CYS 6 H CYS 6 -5.463 11.480 -0.306
32 HA CYS 6 HA CYS 6 -5.986 13.507 -1.005
33 1HB CYS 6 HB2 CYS 6 -4.493 13.886 1.260
34 2HB CYS 6 HB3 CYS 6 -3.631 14.891 0.146
35 H GLN 7 H GLN 7 -2.499 13.328 -1.383
36 HA GLN 7 HA GLN 7 -2.548 14.228 -4.186
37 1HB GLN 7 HB2 GLN 7 -0.596 15.429 -2.179
38 2HB GLN 7 HB3 GLN 7 -0.983 15.968 -3.822
39 1HG GLN 7 HG2 GLN 7 -3.290 16.581 -3.017
40 2HG GLN 7 HG3 GLN 7 -2.750 16.297 -1.373
41 HE2 GLN 7 HE2 GLN 7 -0.920 17.919 -0.432
42 HE2 GLN 7 HE2 GLN 7 -0.800 19.360 -1.433
43 HA PRO 8 HA PRO 8 0.712 11.023 -3.908
44 1HB PRO 8 HB2 PRO 8 3.053 11.770 -5.030
45 2HB PRO 8 HB3 PRO 8 1.552 11.589 -5.984
46 1HG PRO 8 HG2 PRO 8 2.775 14.141 -4.913
47 2HG PRO 8 HG3 PRO 8 2.116 13.823 -6.545
48 1HD PRO 8 HD2 PRO 8 0.743 15.047 -4.491
49 2HD PRO 8 HD3 PRO 8 -0.080 14.151 -5.809
50 H GLY 9 H GLY 9 0.493 11.237 -1.499
51 1HA GLY 9 HA1 GLY 9 2.154 10.671 0.203
52 2HA GLY 9 HA2 GLY 9 3.097 12.078 -0.300
53 H GLU 10 H GLU 10 -0.317 11.737 0.857
54 HA GLU 10 HA GLU 10 0.415 13.760 2.975
55 1HB GLU 10 HB2 GLU 10 -2.169 13.674 1.426
56 2HB GLU 10 HB3 GLU 10 -1.886 14.748 2.673
57 1HG GLU 10 HG2 GLU 10 0.047 14.665 0.278
58 2HG GLU 10 HG3 GLU 10 -1.467 15.467 0.208
59 H PHE 11 H PHE 11 -2.319 13.628 4.307
60 HA PHE 11 HA PHE 11 -2.132 10.941 5.362
61 1HB PHE 11 HB2 PHE 11 -1.201 12.415 6.827
62 2HB PHE 11 HB3 PHE 11 -2.418 13.638 6.609
63 HD1 PHE 11 HD1 PHE 11 -2.961 9.959 7.369
64 HD2 PHE 11 HD2 PHE 11 -3.129 14.047 8.761
65 HE1 PHE 11 HE1 PHE 11 -4.449 9.255 9.211
66 HE2 PHE 11 HE2 PHE 11 -4.686 13.300 10.572
67 HZ PHE 11 HZ PHE 11 -5.362 10.970 10.780
68 H ALA 12 H ALA 12 -3.695 9.667 5.280
69 HA ALA 12 HA ALA 12 -6.483 10.562 4.849
70 1HB ALA 12 HB1 ALA 12 -5.564 8.937 3.228
71 2HB ALA 12 HB2 ALA 12 -5.442 7.747 4.560
72 3HB ALA 12 HB3 ALA 12 -7.012 8.392 4.088
73 H CYS 13 H CYS 13 -7.598 10.847 6.588
74 HA CYS 13 HA CYS 13 -7.207 9.590 9.212
75 1HB CYS 13 HB2 CYS 13 -7.840 11.962 8.979
76 2HB CYS 13 HB3 CYS 13 -9.231 11.468 8.011
77 H ALA 14 H ALA 14 -8.192 7.682 9.738
78 HA ALA 14 HA ALA 14 -10.065 6.279 8.183
79 1HB ALA 14 HB1 ALA 14 -8.594 5.315 9.925
80 2HB ALA 14 HB2 ALA 14 -9.566 6.119 11.178
81 3HB ALA 14 HB3 ALA 14 -10.296 4.868 10.159
82 H ASN 15 H ASN 15 -10.797 9.065 10.205
83 HA ASN 15 HA ASN 15 -13.628 8.399 10.515
84 1HB ASN 15 HB2 ASN 15 -12.434 10.084 11.937
85 2HB ASN 15 HB3 ASN 15 -12.356 11.186 10.569
86 HD2 ASN 15 HD2 ASN 15 -14.427 12.144 9.798
87 HD2 ASN 15 HD2 ASN 15 -15.802 12.020 10.901
88 H SER 16 H SER 16 -11.661 9.641 7.976
89 HA SER 16 HA SER 16 -12.236 9.058 5.757
90 1HB SER 16 HB2 SER 16 -14.867 10.538 6.043
91 2HB SER 16 HB3 SER 16 -14.244 9.711 4.603
92 HG SER 16 HG SER 16 -14.961 8.633 7.096
93 H ARG 17 H ARG 17 -10.480 10.681 6.535
94 HA ARG 17 HA ARG 17 -10.999 13.292 5.070
95 1HB ARG 17 HB2 ARG 17 -9.314 13.471 7.536
96 2HB ARG 17 HB3 ARG 17 -10.114 14.727 6.668
97 1HG ARG 17 HG2 ARG 17 -11.484 12.647 8.435
98 2HG ARG 17 HG3 ARG 17 -11.062 14.285 8.894
99 1HD ARG 17 HD2 ARG 17 -13.232 13.397 6.983
100 2HD ARG 17 HD3 ARG 17 -13.375 14.286 8.477
101 HE ARG 17 HE ARG 17 -12.461 16.246 7.436
102 HH1 ARG 17 HH1 ARG 17 -12.573 17.651 5.728
103 HH1 ARG 17 HH1 ARG 17 -12.944 17.067 4.136
104 HH2 ARG 17 HH2 ARG 17 -13.374 14.923 3.759
105 HH2 ARG 17 HH2 ARG 17 -13.201 13.732 5.017
106 H CYS 18 H CYS 18 -9.655 14.258 3.737
107 HA CYS 18 HA CYS 18 -6.867 13.290 3.911
108 1HB CYS 18 HB2 CYS 18 -6.330 13.320 1.930
109 2HB CYS 18 HB3 CYS 18 -7.996 12.768 1.762
110 H ILE 19 H ILE 19 -5.544 14.372 4.806
111 HA ILE 19 HA ILE 19 -5.507 17.355 4.730
112 HB ILE 19 HB ILE 19 -4.659 17.217 7.212
113 HG2 ILE 19 HG2 ILE 19 -7.104 17.237 8.009
114 HG2 ILE 19 HG2 ILE 19 -6.724 18.330 6.663
115 HG2 ILE 19 HG2 ILE 19 -7.584 16.804 6.377
116 HG1 ILE 19 HG1 ILE 19 -4.641 14.594 7.033
117 HG1 ILE 19 HG1 ILE 19 -5.021 15.405 8.528
118 HD1 ILE 19 HD1 ILE 19 -7.149 14.245 6.711
119 HD1 ILE 19 HD1 ILE 19 -6.417 13.431 8.096
120 HD1 ILE 19 HD1 ILE 19 -7.361 14.905 8.347
121 H GLN 20 H GLN 20 -3.319 18.051 5.224
122 HA GLN 20 HA GLN 20 -1.415 16.437 3.812
123 1HB GLN 20 HB2 GLN 20 -0.079 18.392 3.778
124 2HB GLN 20 HB3 GLN 20 -1.725 18.968 3.600
125 1HG GLN 20 HG2 GLN 20 -0.149 18.944 6.225
126 2HG GLN 20 HG3 GLN 20 -0.214 20.298 5.115
127 HE2 GLN 20 HE2 GLN 20 -2.223 18.219 7.230
128 HE2 GLN 20 HE2 GLN 20 -3.351 19.529 7.639
129 H GLU 21 H GLU 21 0.600 15.906 4.465
130 HA GLU 21 HA GLU 21 0.816 14.362 6.797
131 1HB GLU 21 HB2 GLU 21 1.937 13.904 4.732
132 2HB GLU 21 HB3 GLU 21 2.890 15.383 4.820
133 1HG GLU 21 HG2 GLU 21 4.345 14.540 6.393
134 2HG GLU 21 HG3 GLU 21 3.188 13.431 7.081
135 H ARG 22 H ARG 22 1.520 17.786 6.577
136 HA ARG 22 HA ARG 22 3.046 18.062 8.976
137 1HB ARG 22 HB2 ARG 22 2.935 20.161 8.387
138 2HB ARG 22 HB3 ARG 22 1.743 19.773 7.153
139 1HG ARG 22 HG2 ARG 22 -0.052 20.011 8.779
140 2HG ARG 22 HG3 ARG 22 1.129 20.503 10.019
141 1HD ARG 22 HD2 ARG 22 0.377 22.528 9.342
142 2HD ARG 22 HD3 ARG 22 1.842 22.357 8.378
143 HE ARG 22 HE ARG 22 -0.896 21.721 7.282
144 HH1 ARG 22 HH1 ARG 22 -1.534 22.518 5.471
145 HH1 ARG 22 HH1 ARG 22 -0.637 23.766 4.610
146 HH2 ARG 22 HH2 ARG 22 1.362 24.450 5.467
147 HH2 ARG 22 HH2 ARG 22 1.944 23.753 6.959
148 H TRP 23 H TRP 23 -0.264 16.853 8.694
149 HA TRP 23 HA TRP 23 -0.639 17.209 11.580
150 1HB TRP 23 HB2 TRP 23 -2.468 16.362 9.297
151 2HB TRP 23 HB3 TRP 23 -2.911 16.387 10.980
152 HD1 TRP 23 HD1 TRP 23 -0.941 19.247 10.550
153 HE1 TRP 23 HE1 TRP 23 -2.289 21.446 10.488
154 HE3 TRP 23 HE3 TRP 23 -5.535 17.286 9.755
155 HZ2 TRP 23 HZ2 TRP 23 -5.004 22.216 10.085
156 HZ3 TRP 23 HZ3 TRP 23 -7.525 18.759 9.664
157 HH2 TRP 23 HH2 TRP 23 -7.278 21.222 9.792
158 H LYS 24 H LYS 24 1.008 14.832 9.769
159 HA LYS 24 HA LYS 24 0.171 12.559 11.375
160 1HB LYS 24 HB2 LYS 24 2.424 13.053 9.354
161 2HB LYS 24 HB3 LYS 24 2.100 11.512 10.122
162 1HG LYS 24 HG2 LYS 24 -0.133 11.405 9.018
163 2HG LYS 24 HG3 LYS 24 0.135 13.002 8.370
164 1HD LYS 24 HD2 LYS 24 1.256 12.251 6.619
165 2HD LYS 24 HD3 LYS 24 2.395 11.355 7.620
166 1HE LYS 24 HE2 LYS 24 1.138 9.372 7.467
167 2HE LYS 24 HE3 LYS 24 -0.292 10.210 6.822
168 1HZ LYS 24 HZ1 LYS 24 0.702 10.483 4.776
169 2HZ LYS 24 HZ2 LYS 24 2.234 10.451 5.339
170 3HZ LYS 24 HZ3 LYS 24 1.326 9.037 5.159
171 H CYS 25 H CYS 25 0.906 12.332 13.300
172 HA CYS 25 HA CYS 25 1.828 12.889 15.248
173 1HB CYS 25 HB2 CYS 25 4.279 12.601 15.512
174 2HB CYS 25 HB3 CYS 25 3.261 11.255 15.047
175 H ASP 26 H ASP 26 0.907 15.137 14.506
176 HA ASP 26 HA ASP 26 3.034 17.087 15.292
177 1HB ASP 26 HB2 ASP 26 1.108 18.716 15.198
178 2HB ASP 26 HB3 ASP 26 1.408 17.916 13.641
179 H GLY 27 H GLY 27 0.765 14.876 16.769
180 1HA GLY 27 HA1 GLY 27 0.651 14.677 19.132
181 2HA GLY 27 HA2 GLY 27 0.788 16.419 19.322
182 H ASP 28 H ASP 28 -1.499 16.434 16.846
183 HA ASP 28 HA ASP 28 -3.648 15.984 18.849
184 1HB ASP 28 HB2 ASP 28 -3.048 18.369 18.333
185 2HB ASP 28 HB3 ASP 28 -3.769 18.115 16.742
186 H ASN 29 H ASN 29 -5.587 15.532 18.407
187 HA ASN 29 HA ASN 29 -6.192 13.518 16.405
188 1HB ASN 29 HB2 ASN 29 -8.495 14.571 17.939
189 2HB ASN 29 HB3 ASN 29 -7.943 12.959 17.677
190 HD2 ASN 29 HD2 ASN 29 -6.700 15.906 19.696
191 HD2 ASN 29 HD2 ASN 29 -6.515 14.783 21.040
192 H ASP 30 H ASP 30 -5.479 15.484 14.927
193 HA ASP 30 HA ASP 30 -7.304 17.425 13.974
194 1HB ASP 30 HB2 ASP 30 -5.736 17.591 12.273
195 2HB ASP 30 HB3 ASP 30 -4.781 16.878 13.573
196 H CYS 31 H CYS 31 -6.981 14.032 13.480
197 HA CYS 31 HA CYS 31 -9.047 13.658 11.567
198 1HB CYS 31 HB2 CYS 31 -7.039 12.335 11.720
199 2HB CYS 31 HB3 CYS 31 -7.403 11.844 13.366
200 H LEU 32 H LEU 32 -9.422 14.188 14.889
201 HA LEU 32 HA LEU 32 -10.964 13.835 16.439
202 1HB LEU 32 HB2 LEU 32 -13.011 14.468 15.881
203 2HB LEU 32 HB3 LEU 32 -12.329 14.637 14.279
204 HG LEU 32 HG LEU 32 -13.210 12.151 13.924
205 HD1 LEU 32 HD1 LEU 32 -14.004 11.792 16.277
206 HD1 LEU 32 HD1 LEU 32 -15.092 13.180 16.100
207 HD1 LEU 32 HD1 LEU 32 -15.314 11.724 15.102
208 HD2 LEU 32 HD2 LEU 32 -15.002 14.611 14.034
209 HD2 LEU 32 HD2 LEU 32 -13.975 14.098 12.672
210 HD2 LEU 32 HD2 LEU 32 -15.361 13.108 13.155
211 H ASP 33 H ASP 33 -10.774 11.190 14.188
212 HA ASP 33 HA ASP 33 -11.697 9.052 15.965
213 1HB ASP 33 HB2 ASP 33 -12.002 8.456 13.776
214 2HB ASP 33 HB3 ASP 33 -10.696 9.450 13.189
215 H ASN 34 H ASN 34 -8.896 10.891 15.503
216 HA ASN 34 HA ASN 34 -6.705 10.792 15.937
217 1HB ASN 34 HB2 ASN 34 -7.603 10.637 18.319
218 2HB ASN 34 HB3 ASN 34 -7.351 8.897 18.229
219 HD2 ASN 34 HD2 ASN 34 -5.985 11.540 19.582
220 HD2 ASN 34 HD2 ASN 34 -4.289 11.033 19.378
221 H SER 35 H SER 35 -6.326 9.919 13.906
222 HA SER 35 HA SER 35 -5.701 7.039 13.863
223 1HB SER 35 HB2 SER 35 -6.005 9.156 11.703
224 2HB SER 35 HB3 SER 35 -5.130 7.655 11.415
225 HG SER 35 HG SER 35 -7.863 7.591 12.409
226 H ASP 36 H ASP 36 -4.361 9.998 12.807
227 HA ASP 36 HA ASP 36 -1.784 9.711 12.272
228 1HB ASP 36 HB2 ASP 36 -1.877 12.190 13.305
229 2HB ASP 36 HB3 ASP 36 -2.613 11.790 11.787
230 H GLU 37 H GLU 37 -2.889 10.953 15.291
231 HA GLU 37 HA GLU 37 -0.304 10.775 16.468
232 1HB GLU 37 HB2 GLU 37 -2.951 11.310 17.853
233 2HB GLU 37 HB3 GLU 37 -1.345 11.841 18.359
234 1HG GLU 37 HG2 GLU 37 -2.822 12.625 15.817
235 2HG GLU 37 HG3 GLU 37 -2.604 13.606 17.243
236 H ALA 38 H ALA 38 -2.326 8.093 16.069
237 HA ALA 38 HA ALA 38 -1.224 6.795 18.455
238 1HB ALA 38 HB1 ALA 38 -3.321 5.977 16.395
239 2HB ALA 38 HB2 ALA 38 -2.893 5.075 17.868
240 3HB ALA 38 HB3 ALA 38 -3.682 6.672 17.982
241 HA PRO 39 HA PRO 39 2.010 5.590 15.661
242 1HB PRO 39 HB2 PRO 39 3.300 3.666 17.102
243 2HB PRO 39 HB3 PRO 39 3.204 5.374 17.617
244 1HG PRO 39 HG2 PRO 39 1.399 3.084 18.472
245 2HG PRO 39 HG3 PRO 39 2.295 4.233 19.522
246 1HD PRO 39 HD2 PRO 39 -0.304 4.647 18.882
247 2HD PRO 39 HD3 PRO 39 0.843 6.013 18.970
248 H ALA 40 H ALA 40 -0.546 4.262 15.364
249 HA ALA 40 HA ALA 40 0.080 1.854 13.702
250 1HB ALA 40 HB1 ALA 40 -2.490 3.481 14.023
251 2HB ALA 40 HB2 ALA 40 -2.295 2.026 13.019
252 3HB ALA 40 HB3 ALA 40 -2.149 1.909 14.785
253 H LEU 41 H LEU 41 -0.227 5.343 13.684
254 HA LEU 41 HA LEU 41 0.751 5.444 10.886
255 1HB LEU 41 HB2 LEU 41 -1.509 6.459 11.301
256 2HB LEU 41 HB3 LEU 41 -0.781 7.644 12.372
257 HG LEU 41 HG LEU 41 0.309 7.234 9.577
258 HD1 LEU 41 HD1 LEU 41 -2.113 7.558 9.270
259 HD1 LEU 41 HD1 LEU 41 -2.032 9.047 10.233
260 HD1 LEU 41 HD1 LEU 41 -1.189 8.950 8.681
261 HD2 LEU 41 HD2 LEU 41 1.662 8.701 10.907
262 HD2 LEU 41 HD2 LEU 41 0.864 9.588 9.662
263 HD2 LEU 41 HD2 LEU 41 0.247 9.700 11.332
264 H CYS 42 H CYS 42 0.815 8.020 13.549
265 HA CYS 42 HA CYS 42 3.617 7.258 14.003
266 1HB CYS 42 HB2 CYS 42 3.507 8.945 12.135
267 2HB CYS 42 HB3 CYS 42 2.713 10.046 13.239
268 H HIS 43 H HIS 43 4.306 9.213 15.829
269 HA HIS 43 HA HIS 43 2.182 10.209 17.451
270 1HB HIS 43 HB2 HIS 43 1.995 7.794 18.226
271 2HB HIS 43 HB3 HIS 43 3.722 7.788 18.584
272 HD1 HIS 43 HD1 HIS 43 0.507 9.507 19.778
273 HD2 HIS 43 HD2 HIS 43 4.483 8.745 20.936
274 HE1 HIS 43 HE1 HIS 43 0.772 10.402 22.202
275 H GLN 44 H GLN 44 3.056 12.085 18.186
276 HA GLN 44 HA GLN 44 5.941 12.392 18.095
277 1HB GLN 44 HB2 GLN 44 3.836 14.084 17.594
278 2HB GLN 44 HB3 GLN 44 4.375 14.694 19.143
279 1HG GLN 44 HG2 GLN 44 6.093 14.259 16.655
280 2HG GLN 44 HG3 GLN 44 5.484 15.804 17.234
281 HE2 GLN 44 HE2 GLN 44 6.993 17.021 18.417
282 HE2 GLN 44 HE2 GLN 44 8.357 16.235 19.233
283 H HIS 45 H HIS 45 6.211 10.703 19.682
284 HA HIS 45 HA HIS 45 6.699 9.838 21.762
285 1HB HIS 45 HB2 HIS 45 8.527 11.499 21.115
286 2HB HIS 45 HB3 HIS 45 7.820 12.609 22.284
287 HD1 HIS 45 HD1 HIS 45 7.310 10.273 24.531
288 HD2 HIS 45 HD2 HIS 45 10.822 11.140 22.387
289 HE1 HIS 45 HE1 HIS 45 9.297 9.362 25.938
Start of MODEL 11
1 H GLY 1 H GLY 1 -2.100 6.485 4.808
2 1HA GLY 1 HA1 GLY 1 0.302 5.289 5.527
3 2HA GLY 1 HA2 GLY 1 -1.284 4.532 5.684
4 H SER 2 H SER 2 -0.998 4.992 2.478
5 HA SER 2 HA SER 2 0.998 3.205 1.558
6 1HB SER 2 HB2 SER 2 -1.737 1.923 1.820
7 2HB SER 2 HB3 SER 2 -0.550 1.398 0.606
8 HG SER 2 HG SER 2 0.191 1.726 3.316
9 HA PRO 3 HA PRO 3 -1.503 4.742 -2.191
10 1HB PRO 3 HB2 PRO 3 -3.956 5.944 -1.928
11 2HB PRO 3 HB3 PRO 3 -3.760 4.167 -2.045
12 1HG PRO 3 HG2 PRO 3 -4.032 5.851 0.471
13 2HG PRO 3 HG3 PRO 3 -4.976 4.395 0.012
14 1HD PRO 3 HD2 PRO 3 -2.836 4.226 1.650
15 2HD PRO 3 HD3 PRO 3 -3.147 2.966 0.422
16 HA PRO 4 HA PRO 4 -0.305 9.083 -1.533
17 1HB PRO 4 HB2 PRO 4 -1.005 10.292 -3.853
18 2HB PRO 4 HB3 PRO 4 0.232 9.004 -3.794
19 1HG PRO 4 HG2 PRO 4 -2.707 8.688 -4.485
20 2HG PRO 4 HG3 PRO 4 -1.285 8.133 -5.429
21 1HD PRO 4 HD2 PRO 4 -2.602 6.477 -3.725
22 2HD PRO 4 HD3 PRO 4 -0.826 6.398 -3.896
23 H GLN 5 H GLN 5 -1.928 8.812 0.084
24 HA GLN 5 HA GLN 5 -4.300 9.119 0.800
25 1HB GLN 5 HB2 GLN 5 -2.322 11.154 1.890
26 2HB GLN 5 HB3 GLN 5 -3.714 10.483 2.693
27 1HG GLN 5 HG2 GLN 5 -2.021 9.253 3.651
28 2HG GLN 5 HG3 GLN 5 -2.507 8.163 2.359
29 HE2 GLN 5 HE2 GLN 5 -0.137 7.467 3.204
30 HE2 GLN 5 HE2 GLN 5 1.127 8.161 2.164
31 H CYS 6 H CYS 6 -2.827 12.121 -0.252
32 HA CYS 6 HA CYS 6 -5.439 13.411 -0.904
33 1HB CYS 6 HB2 CYS 6 -4.351 13.972 1.521
34 2HB CYS 6 HB3 CYS 6 -3.385 15.057 0.567
35 H GLN 7 H GLN 7 -1.959 13.626 -0.797
36 HA GLN 7 HA GLN 7 -1.675 14.047 -3.648
37 1HB GLN 7 HB2 GLN 7 0.084 15.610 -1.736
38 2HB GLN 7 HB3 GLN 7 -0.231 15.891 -3.447
39 1HG GLN 7 HG2 GLN 7 -2.602 16.587 -2.814
40 2HG GLN 7 HG3 GLN 7 -2.113 16.508 -1.137
41 HE2 GLN 7 HE2 GLN 7 -0.615 18.090 -0.209
42 HE2 GLN 7 HE2 GLN 7 -0.269 19.525 -1.211
43 HA PRO 8 HA PRO 8 1.236 10.812 -2.726
44 1HB PRO 8 HB2 PRO 8 3.491 11.160 -4.213
45 2HB PRO 8 HB3 PRO 8 1.882 10.867 -4.935
46 1HG PRO 8 HG2 PRO 8 3.259 13.538 -4.513
47 2HG PRO 8 HG3 PRO 8 2.495 12.913 -6.010
48 1HD PRO 8 HD2 PRO 8 1.202 14.577 -4.297
49 2HD PRO 8 HD3 PRO 8 0.323 13.280 -5.163
50 H GLY 9 H GLY 9 1.262 11.517 -0.508
51 1HA GLY 9 HA1 GLY 9 3.294 11.121 1.125
52 2HA GLY 9 HA2 GLY 9 3.858 12.662 0.460
53 H GLU 10 H GLU 10 0.639 11.529 1.650
54 HA GLU 10 HA GLU 10 0.527 13.928 3.427
55 1HB GLU 10 HB2 GLU 10 -1.440 13.062 1.291
56 2HB GLU 10 HB3 GLU 10 -1.857 14.254 2.506
57 1HG GLU 10 HG2 GLU 10 0.462 14.534 0.518
58 2HG GLU 10 HG3 GLU 10 -1.167 15.104 0.305
59 H PHE 11 H PHE 11 -2.172 13.567 4.487
60 HA PHE 11 HA PHE 11 -1.966 10.965 5.703
61 1HB PHE 11 HB2 PHE 11 -1.265 12.533 7.180
62 2HB PHE 11 HB3 PHE 11 -2.533 13.659 6.868
63 HD1 PHE 11 HD1 PHE 11 -2.887 9.929 7.519
64 HD2 PHE 11 HD2 PHE 11 -3.376 13.924 9.113
65 HE1 PHE 11 HE1 PHE 11 -4.271 9.036 9.334
66 HE2 PHE 11 HE2 PHE 11 -4.685 12.969 10.974
67 HZ PHE 11 HZ PHE 11 -5.172 10.580 11.072
68 H ALA 12 H ALA 12 -3.405 9.613 5.496
69 HA ALA 12 HA ALA 12 -6.197 10.234 4.732
70 1HB ALA 12 HB1 ALA 12 -5.085 8.675 3.238
71 2HB ALA 12 HB2 ALA 12 -4.601 7.648 4.610
72 3HB ALA 12 HB3 ALA 12 -6.314 7.823 4.179
73 H CYS 13 H CYS 13 -7.387 10.563 6.455
74 HA CYS 13 HA CYS 13 -6.984 9.346 9.097
75 1HB CYS 13 HB2 CYS 13 -7.607 11.684 8.831
76 2HB CYS 13 HB3 CYS 13 -8.985 11.205 7.853
77 H ALA 14 H ALA 14 -8.019 7.526 9.785
78 HA ALA 14 HA ALA 14 -9.884 5.965 8.441
79 1HB ALA 14 HB1 ALA 14 -10.250 4.932 10.633
80 2HB ALA 14 HB2 ALA 14 -8.526 5.277 10.387
81 3HB ALA 14 HB3 ALA 14 -9.509 6.325 11.440
82 H ASN 15 H ASN 15 -10.660 8.991 10.133
83 HA ASN 15 HA ASN 15 -13.505 8.449 10.336
84 1HB ASN 15 HB2 ASN 15 -12.423 10.240 11.659
85 2HB ASN 15 HB3 ASN 15 -12.057 11.148 10.211
86 HD2 ASN 15 HD2 ASN 15 -14.877 9.781 11.993
87 HD2 ASN 15 HD2 ASN 15 -15.925 11.093 11.448
88 H SER 16 H SER 16 -11.424 9.326 7.741
89 HA SER 16 HA SER 16 -11.948 8.409 5.615
90 1HB SER 16 HB2 SER 16 -14.547 9.972 5.581
91 2HB SER 16 HB3 SER 16 -13.913 8.900 4.320
92 HG SER 16 HG SER 16 -14.728 8.276 6.934
93 H ARG 17 H ARG 17 -10.236 10.216 6.300
94 HA ARG 17 HA ARG 17 -10.881 12.734 4.731
95 1HB ARG 17 HB2 ARG 17 -9.381 13.133 7.279
96 2HB ARG 17 HB3 ARG 17 -10.383 14.234 6.394
97 1HG ARG 17 HG2 ARG 17 -11.461 11.850 7.962
98 2HG ARG 17 HG3 ARG 17 -11.289 13.456 8.622
99 1HD ARG 17 HD2 ARG 17 -12.935 12.977 6.114
100 2HD ARG 17 HD3 ARG 17 -13.615 12.732 7.713
101 HE ARG 17 HE ARG 17 -12.817 15.285 6.477
102 HH1 ARG 17 HH1 ARG 17 -13.308 17.206 7.485
103 HH1 ARG 17 HH1 ARG 17 -14.009 17.194 9.075
104 HH2 ARG 17 HH2 ARG 17 -14.391 15.314 10.168
105 HH2 ARG 17 HH2 ARG 17 -14.046 13.765 9.463
106 H CYS 18 H CYS 18 -9.532 13.828 3.483
107 HA CYS 18 HA CYS 18 -6.684 13.019 3.682
108 1HB CYS 18 HB2 CYS 18 -6.232 13.073 1.662
109 2HB CYS 18 HB3 CYS 18 -7.911 12.628 1.474
110 H ILE 19 H ILE 19 -5.472 14.166 4.729
111 HA ILE 19 HA ILE 19 -5.509 17.140 4.576
112 HB ILE 19 HB ILE 19 -4.789 17.079 7.046
113 HG2 ILE 19 HG2 ILE 19 -7.706 16.608 6.311
114 HG2 ILE 19 HG2 ILE 19 -7.136 17.254 7.864
115 HG2 ILE 19 HG2 ILE 19 -6.837 18.154 6.366
116 HG1 ILE 19 HG1 ILE 19 -4.698 14.485 7.054
117 HG1 ILE 19 HG1 ILE 19 -5.222 15.348 8.471
118 HD1 ILE 19 HD1 ILE 19 -7.527 14.777 8.124
119 HD1 ILE 19 HD1 ILE 19 -7.148 14.002 6.569
120 HD1 ILE 19 HD1 ILE 19 -6.506 13.332 8.072
121 H GLN 20 H GLN 20 -3.342 17.861 5.486
122 HA GLN 20 HA GLN 20 -1.391 16.331 4.007
123 1HB GLN 20 HB2 GLN 20 -0.077 18.479 4.156
124 2HB GLN 20 HB3 GLN 20 -1.675 18.662 3.424
125 1HG GLN 20 HG2 GLN 20 -2.579 19.655 5.457
126 2HG GLN 20 HG3 GLN 20 -1.122 19.250 6.357
127 HE2 GLN 20 HE2 GLN 20 -0.603 20.589 3.126
128 HE2 GLN 20 HE2 GLN 20 -0.155 22.175 3.761
129 H GLU 21 H GLU 21 0.656 15.950 4.585
130 HA GLU 21 HA GLU 21 0.924 14.433 6.917
131 1HB GLU 21 HB2 GLU 21 2.037 13.869 4.932
132 2HB GLU 21 HB3 GLU 21 2.883 15.413 4.819
133 1HG GLU 21 HG2 GLU 21 4.456 14.833 6.415
134 2HG GLU 21 HG3 GLU 21 3.453 13.626 7.171
135 H ARG 22 H ARG 22 1.538 17.774 6.680
136 HA ARG 22 HA ARG 22 3.221 18.275 8.974
137 1HB ARG 22 HB2 ARG 22 2.698 20.137 7.695
138 2HB ARG 22 HB3 ARG 22 0.991 19.727 7.581
139 1HG ARG 22 HG2 ARG 22 0.666 20.308 9.970
140 2HG ARG 22 HG3 ARG 22 2.382 20.770 10.094
141 1HD ARG 22 HD2 ARG 22 2.088 22.687 8.819
142 2HD ARG 22 HD3 ARG 22 0.787 21.976 7.871
143 HE ARG 22 HE ARG 22 0.441 22.801 10.724
144 HH1 ARG 22 HH1 ARG 22 -1.479 23.701 11.324
145 HH1 ARG 22 HH1 ARG 22 -2.705 24.032 10.145
146 HH2 ARG 22 HH2 ARG 22 -2.358 23.659 7.995
147 HH2 ARG 22 HH2 ARG 22 -0.951 22.802 7.423
148 H TRP 23 H TRP 23 -0.069 16.947 8.828
149 HA TRP 23 HA TRP 23 -0.502 17.323 11.699
150 1HB TRP 23 HB2 TRP 23 -2.294 16.192 9.536
151 2HB TRP 23 HB3 TRP 23 -2.736 16.801 11.122
152 HD1 TRP 23 HD1 TRP 23 -0.694 19.083 8.843
153 HE1 TRP 23 HE1 TRP 23 -2.083 21.041 8.064
154 HE3 TRP 23 HE3 TRP 23 -5.290 17.449 10.336
155 HZ2 TRP 23 HZ2 TRP 23 -4.826 21.852 8.102
156 HZ3 TRP 23 HZ3 TRP 23 -7.281 18.839 9.956
157 HH2 TRP 23 HH2 TRP 23 -7.077 21.052 8.833
158 H LYS 24 H LYS 24 1.079 14.866 9.796
159 HA LYS 24 HA LYS 24 0.238 12.588 11.407
160 1HB LYS 24 HB2 LYS 24 2.551 13.085 9.466
161 2HB LYS 24 HB3 LYS 24 2.180 11.544 10.223
162 1HG LYS 24 HG2 LYS 24 0.038 11.402 9.001
163 2HG LYS 24 HG3 LYS 24 0.294 13.039 8.427
164 1HD LYS 24 HD2 LYS 24 1.264 12.269 6.612
165 2HD LYS 24 HD3 LYS 24 2.618 11.727 7.608
166 1HE LYS 24 HE2 LYS 24 1.837 9.518 7.697
167 2HE LYS 24 HE3 LYS 24 0.252 9.957 7.009
168 1HZ LYS 24 HZ1 LYS 24 2.059 9.056 5.402
169 2HZ LYS 24 HZ2 LYS 24 1.207 10.412 4.957
170 3HZ LYS 24 HZ3 LYS 24 2.722 10.585 5.525
171 H CYS 25 H CYS 25 1.354 12.094 13.262
172 HA CYS 25 HA CYS 25 2.960 12.098 14.880
173 1HB CYS 25 HB2 CYS 25 4.827 13.738 13.143
174 2HB CYS 25 HB3 CYS 25 5.225 12.547 14.354
175 H ASP 26 H ASP 26 1.191 14.648 14.412
176 HA ASP 26 HA ASP 26 2.933 16.922 15.088
177 1HB ASP 26 HB2 ASP 26 1.409 18.004 13.922
178 2HB ASP 26 HB3 ASP 26 0.549 16.540 13.602
179 H GLY 27 H GLY 27 0.405 14.922 16.499
180 1HA GLY 27 HA1 GLY 27 0.627 14.411 18.913
181 2HA GLY 27 HA2 GLY 27 0.942 16.121 19.203
182 H ASP 28 H ASP 28 -1.599 16.172 16.890
183 HA ASP 28 HA ASP 28 -3.594 15.530 18.999
184 1HB ASP 28 HB2 ASP 28 -3.401 17.997 18.522
185 2HB ASP 28 HB3 ASP 28 -4.040 17.658 16.913
186 H ASN 29 H ASN 29 -5.474 14.787 18.446
187 HA ASN 29 HA ASN 29 -5.786 12.901 16.249
188 1HB ASN 29 HB2 ASN 29 -8.273 13.688 17.683
189 2HB ASN 29 HB3 ASN 29 -7.594 12.144 17.342
190 HD2 ASN 29 HD2 ASN 29 -6.731 14.973 19.659
191 HD2 ASN 29 HD2 ASN 29 -6.558 13.760 20.935
192 H ASP 30 H ASP 30 -5.088 14.796 14.813
193 HA ASP 30 HA ASP 30 -6.973 16.896 14.204
194 1HB ASP 30 HB2 ASP 30 -5.407 17.411 12.522
195 2HB ASP 30 HB3 ASP 30 -4.467 16.743 13.852
196 H CYS 31 H CYS 31 -6.581 13.635 13.295
197 HA CYS 31 HA CYS 31 -8.604 13.309 11.321
198 1HB CYS 31 HB2 CYS 31 -6.745 11.835 11.712
199 2HB CYS 31 HB3 CYS 31 -7.281 11.451 13.340
200 H LEU 32 H LEU 32 -9.052 14.081 14.608
201 HA LEU 32 HA LEU 32 -10.687 14.078 16.067
202 1HB LEU 32 HB2 LEU 32 -12.622 14.835 15.357
203 2HB LEU 32 HB3 LEU 32 -11.877 14.776 13.771
204 HG LEU 32 HG LEU 32 -12.987 12.357 13.626
205 HD1 LEU 32 HD1 LEU 32 -15.175 12.271 14.732
206 HD1 LEU 32 HD1 LEU 32 -13.906 12.327 15.954
207 HD1 LEU 32 HD1 LEU 32 -14.836 13.791 15.588
208 HD2 LEU 32 HD2 LEU 32 -14.966 13.410 12.614
209 HD2 LEU 32 HD2 LEU 32 -14.536 14.961 13.375
210 HD2 LEU 32 HD2 LEU 32 -13.467 14.227 12.150
211 H ASP 33 H ASP 33 -10.813 11.243 14.038
212 HA ASP 33 HA ASP 33 -11.908 9.454 16.137
213 1HB ASP 33 HB2 ASP 33 -12.533 9.370 13.717
214 2HB ASP 33 HB3 ASP 33 -10.864 8.970 13.308
215 H ASN 34 H ASN 34 -9.026 10.795 15.288
216 HA ASN 34 HA ASN 34 -6.817 10.568 15.578
217 1HB ASN 34 HB2 ASN 34 -7.511 9.929 17.962
218 2HB ASN 34 HB3 ASN 34 -7.302 8.247 17.470
219 HD2 ASN 34 HD2 ASN 34 -5.632 8.377 19.306
220 HD2 ASN 34 HD2 ASN 34 -4.012 8.879 18.783
221 H SER 35 H SER 35 -5.363 9.875 14.078
222 HA SER 35 HA SER 35 -5.078 7.013 13.882
223 1HB SER 35 HB2 SER 35 -5.934 8.735 11.541
224 2HB SER 35 HB3 SER 35 -4.949 7.296 11.321
225 HG SER 35 HG SER 35 -7.181 7.101 12.996
226 H ASP 36 H ASP 36 -3.989 10.154 12.723
227 HA ASP 36 HA ASP 36 -1.255 9.873 12.296
228 1HB ASP 36 HB2 ASP 36 -1.403 12.204 13.448
229 2HB ASP 36 HB3 ASP 36 -2.196 11.978 11.910
230 H GLU 37 H GLU 37 -2.830 10.780 15.332
231 HA GLU 37 HA GLU 37 -0.481 9.865 16.755
232 1HB GLU 37 HB2 GLU 37 -2.720 11.278 18.097
233 2HB GLU 37 HB3 GLU 37 -0.961 11.356 18.343
234 1HG GLU 37 HG2 GLU 37 -2.441 12.448 15.956
235 2HG GLU 37 HG3 GLU 37 -1.957 13.397 17.320
236 H ALA 38 H ALA 38 -2.550 7.753 15.634
237 HA ALA 38 HA ALA 38 -2.413 6.241 18.135
238 1HB ALA 38 HB1 ALA 38 -3.779 4.643 16.769
239 2HB ALA 38 HB2 ALA 38 -4.610 6.202 17.010
240 3HB ALA 38 HB3 ALA 38 -3.829 5.851 15.459
241 HA PRO 39 HA PRO 39 1.572 5.592 16.091
242 1HB PRO 39 HB2 PRO 39 2.667 3.650 17.723
243 2HB PRO 39 HB3 PRO 39 2.446 5.351 18.189
244 1HG PRO 39 HG2 PRO 39 0.601 3.016 18.762
245 2HG PRO 39 HG3 PRO 39 1.238 4.234 19.918
246 1HD PRO 39 HD2 PRO 39 -1.220 4.494 18.838
247 2HD PRO 39 HD3 PRO 39 -0.171 5.929 19.045
248 H ALA 40 H ALA 40 -0.737 4.029 15.153
249 HA ALA 40 HA ALA 40 0.525 1.750 13.700
250 1HB ALA 40 HB1 ALA 40 -2.284 2.953 13.548
251 2HB ALA 40 HB2 ALA 40 -1.690 1.567 12.607
252 3HB ALA 40 HB3 ALA 40 -1.843 1.436 14.370
253 H LEU 41 H LEU 41 -0.239 5.161 13.641
254 HA LEU 41 HA LEU 41 0.932 5.417 10.926
255 1HB LEU 41 HB2 LEU 41 -1.375 6.391 11.408
256 2HB LEU 41 HB3 LEU 41 -0.585 7.608 12.399
257 HG LEU 41 HG LEU 41 0.297 7.064 9.550
258 HD1 LEU 41 HD1 LEU 41 -1.106 8.866 8.738
259 HD1 LEU 41 HD1 LEU 41 -2.111 7.609 9.479
260 HD1 LEU 41 HD1 LEU 41 -1.778 9.119 10.352
261 HD2 LEU 41 HD2 LEU 41 0.708 9.408 11.404
262 HD2 LEU 41 HD2 LEU 41 1.915 8.369 10.588
263 HD2 LEU 41 HD2 LEU 41 0.963 9.489 9.653
264 H CYS 42 H CYS 42 0.946 7.898 13.693
265 HA CYS 42 HA CYS 42 3.859 7.372 13.774
266 1HB CYS 42 HB2 CYS 42 3.119 9.170 12.150
267 2HB CYS 42 HB3 CYS 42 2.651 10.120 13.558
268 H HIS 43 H HIS 43 1.326 9.387 15.432
269 HA HIS 43 HA HIS 43 1.274 10.281 17.525
270 1HB HIS 43 HB2 HIS 43 0.734 7.938 18.015
271 2HB HIS 43 HB3 HIS 43 2.441 7.593 18.261
272 HD1 HIS 43 HD1 HIS 43 3.545 9.414 20.206
273 HD2 HIS 43 HD2 HIS 43 -0.459 8.163 20.371
274 HE1 HIS 43 HE1 HIS 43 2.756 9.740 22.666
275 H GLN 44 H GLN 44 2.453 12.024 17.318
276 HA GLN 44 HA GLN 44 4.047 13.573 17.919
277 1HB GLN 44 HB2 GLN 44 4.562 11.646 20.203
278 2HB GLN 44 HB3 GLN 44 5.073 13.330 20.124
279 1HG GLN 44 HG2 GLN 44 2.680 14.030 19.976
280 2HG GLN 44 HG3 GLN 44 2.196 12.335 20.184
281 HE2 GLN 44 HE2 GLN 44 3.191 15.247 21.873
282 HE2 GLN 44 HE2 GLN 44 3.311 14.426 23.438
283 H HIS 45 H HIS 45 5.451 13.567 16.221
284 HA HIS 45 HA HIS 45 7.222 13.020 14.857
285 1HB HIS 45 HB2 HIS 45 8.220 14.583 16.463
286 2HB HIS 45 HB3 HIS 45 8.719 13.229 17.483
287 HD1 HIS 45 HD1 HIS 45 11.169 12.509 17.014
288 HD2 HIS 45 HD2 HIS 45 9.221 14.214 13.695
289 HE1 HIS 45 HE1 HIS 45 12.878 12.570 15.101
Start of MODEL 12
1 H GLY 1 H GLY 1 3.671 -0.069 -5.667
2 1HA GLY 1 HA1 GLY 1 2.794 2.418 -6.647
3 2HA GLY 1 HA2 GLY 1 1.374 1.380 -6.416
4 H SER 2 H SER 2 1.170 3.442 -4.858
5 HA SER 2 HA SER 2 1.209 2.337 -2.223
6 1HB SER 2 HB2 SER 2 3.123 4.618 -2.861
7 2HB SER 2 HB3 SER 2 2.479 4.369 -1.228
8 HG SER 2 HG SER 2 3.552 2.171 -2.629
9 HA PRO 3 HA PRO 3 -2.241 5.080 -2.176
10 1HB PRO 3 HB2 PRO 3 -2.778 5.482 0.467
11 2HB PRO 3 HB3 PRO 3 -2.974 3.904 -0.349
12 1HG PRO 3 HG2 PRO 3 -0.620 4.850 1.317
13 2HG PRO 3 HG3 PRO 3 -1.500 3.294 1.425
14 1HD PRO 3 HD2 PRO 3 0.831 3.558 0.028
15 2HD PRO 3 HD3 PRO 3 -0.473 2.465 -0.521
16 HA PRO 4 HA PRO 4 -0.109 9.117 -1.840
17 1HB PRO 4 HB2 PRO 4 -1.904 10.653 -3.257
18 2HB PRO 4 HB3 PRO 4 -0.771 9.508 -4.034
19 1HG PRO 4 HG2 PRO 4 -3.689 9.080 -3.349
20 2HG PRO 4 HG3 PRO 4 -2.840 8.709 -4.880
21 1HD PRO 4 HD2 PRO 4 -3.308 6.819 -2.959
22 2HD PRO 4 HD3 PRO 4 -1.836 6.793 -3.975
23 H GLN 5 H GLN 5 -3.550 8.839 -1.300
24 HA GLN 5 HA GLN 5 -4.863 9.057 0.470
25 1HB GLN 5 HB2 GLN 5 -2.440 10.038 2.001
26 2HB GLN 5 HB3 GLN 5 -4.035 9.753 2.679
27 1HG GLN 5 HG2 GLN 5 -3.858 7.374 1.684
28 2HG GLN 5 HG3 GLN 5 -2.139 7.723 1.463
29 HE2 GLN 5 HE2 GLN 5 -3.060 5.541 3.058
30 HE2 GLN 5 HE2 GLN 5 -2.694 5.977 4.729
31 H CYS 6 H CYS 6 -3.264 11.958 -0.589
32 HA CYS 6 HA CYS 6 -5.857 13.359 -0.588
33 1HB CYS 6 HB2 CYS 6 -4.671 13.768 1.738
34 2HB CYS 6 HB3 CYS 6 -3.601 14.792 0.831
35 H GLN 7 H GLN 7 -2.413 13.786 -0.845
36 HA GLN 7 HA GLN 7 -2.453 14.548 -3.661
37 1HB GLN 7 HB2 GLN 7 -0.547 15.926 -1.758
38 2HB GLN 7 HB3 GLN 7 -1.075 16.413 -3.370
39 1HG GLN 7 HG2 GLN 7 -3.380 16.889 -2.371
40 2HG GLN 7 HG3 GLN 7 -2.673 16.628 -0.792
41 HE2 GLN 7 HE2 GLN 7 -0.976 18.093 0.066
42 HE2 GLN 7 HE2 GLN 7 -0.856 19.681 -0.738
43 HA PRO 8 HA PRO 8 0.592 11.368 -3.545
44 1HB PRO 8 HB2 PRO 8 2.822 11.986 -4.962
45 2HB PRO 8 HB3 PRO 8 1.192 11.927 -5.688
46 1HG PRO 8 HG2 PRO 8 2.667 14.378 -4.670
47 2HG PRO 8 HG3 PRO 8 1.880 14.147 -6.265
48 1HD PRO 8 HD2 PRO 8 0.645 15.394 -4.182
49 2HD PRO 8 HD3 PRO 8 -0.279 14.375 -5.332
50 H GLY 9 H GLY 9 0.611 11.835 -1.121
51 1HA GLY 9 HA1 GLY 9 2.634 10.787 0.251
52 2HA GLY 9 HA2 GLY 9 3.346 12.375 -0.062
53 H GLU 10 H GLU 10 0.016 11.387 1.017
54 HA GLU 10 HA GLU 10 0.268 13.464 3.161
55 1HB GLU 10 HB2 GLU 10 -1.917 12.935 1.139
56 2HB GLU 10 HB3 GLU 10 -2.131 14.059 2.466
57 1HG GLU 10 HG2 GLU 10 0.036 14.324 0.305
58 2HG GLU 10 HG3 GLU 10 -1.548 15.047 0.293
59 H PHE 11 H PHE 11 -2.382 13.235 4.370
60 HA PHE 11 HA PHE 11 -2.261 10.555 5.440
61 1HB PHE 11 HB2 PHE 11 -1.315 12.073 6.899
62 2HB PHE 11 HB3 PHE 11 -2.566 13.248 6.701
63 HD1 PHE 11 HD1 PHE 11 -3.226 9.571 7.395
64 HD2 PHE 11 HD2 PHE 11 -3.018 13.581 9.008
65 HE1 PHE 11 HE1 PHE 11 -4.539 8.868 9.351
66 HE2 PHE 11 HE2 PHE 11 -4.316 12.843 10.956
67 HZ PHE 11 HZ PHE 11 -5.117 10.533 11.129
68 H ALA 12 H ALA 12 -3.822 9.314 5.218
69 HA ALA 12 HA ALA 12 -6.627 10.212 4.901
70 1HB ALA 12 HB1 ALA 12 -7.092 7.860 4.375
71 2HB ALA 12 HB2 ALA 12 -5.862 8.542 3.303
72 3HB ALA 12 HB3 ALA 12 -5.386 7.455 4.637
73 H CYS 13 H CYS 13 -7.629 10.613 6.683
74 HA CYS 13 HA CYS 13 -7.146 9.401 9.316
75 1HB CYS 13 HB2 CYS 13 -7.730 11.742 9.102
76 2HB CYS 13 HB3 CYS 13 -9.159 11.311 8.148
77 H ALA 14 H ALA 14 -8.151 7.545 9.966
78 HA ALA 14 HA ALA 14 -10.093 6.093 8.572
79 1HB ALA 14 HB1 ALA 14 -10.299 4.826 10.650
80 2HB ALA 14 HB2 ALA 14 -8.597 5.224 10.341
81 3HB ALA 14 HB3 ALA 14 -9.519 6.133 11.558
82 H ASN 15 H ASN 15 -10.743 9.013 10.441
83 HA ASN 15 HA ASN 15 -13.584 8.418 10.805
84 1HB ASN 15 HB2 ASN 15 -12.299 10.138 12.123
85 2HB ASN 15 HB3 ASN 15 -12.275 11.194 10.733
86 HD2 ASN 15 HD2 ASN 15 -14.786 11.421 9.777
87 HD2 ASN 15 HD2 ASN 15 -15.882 11.739 11.129
88 H SER 16 H SER 16 -11.605 9.439 8.189
89 HA SER 16 HA SER 16 -12.180 8.727 6.029
90 1HB SER 16 HB2 SER 16 -14.832 10.186 6.199
91 2HB SER 16 HB3 SER 16 -14.206 9.226 4.847
92 HG SER 16 HG SER 16 -14.916 8.398 7.437
93 H ARG 17 H ARG 17 -10.475 10.431 6.708
94 HA ARG 17 HA ARG 17 -11.083 12.999 5.202
95 1HB ARG 17 HB2 ARG 17 -9.381 13.294 7.640
96 2HB ARG 17 HB3 ARG 17 -10.263 14.487 6.760
97 1HG ARG 17 HG2 ARG 17 -11.486 12.370 8.582
98 2HG ARG 17 HG3 ARG 17 -11.186 14.050 8.987
99 1HD ARG 17 HD2 ARG 17 -13.275 12.951 7.091
100 2HD ARG 17 HD3 ARG 17 -13.500 13.837 8.574
101 HE ARG 17 HE ARG 17 -12.720 15.856 7.516
102 HH1 ARG 17 HH1 ARG 17 -13.043 17.245 5.819
103 HH1 ARG 17 HH1 ARG 17 -13.426 16.625 4.245
104 HH2 ARG 17 HH2 ARG 17 -13.668 14.459 3.875
105 HH2 ARG 17 HH2 ARG 17 -13.340 13.285 5.116
106 H CYS 18 H CYS 18 -9.759 14.030 3.879
107 HA CYS 18 HA CYS 18 -6.963 13.032 3.875
108 1HB CYS 18 HB2 CYS 18 -6.642 13.196 1.854
109 2HB CYS 18 HB3 CYS 18 -8.369 12.920 1.704
110 H ILE 19 H ILE 19 -5.615 14.035 4.918
111 HA ILE 19 HA ILE 19 -5.519 17.014 4.912
112 HB ILE 19 HB ILE 19 -4.632 16.847 7.320
113 HG2 ILE 19 HG2 ILE 19 -6.796 17.857 6.886
114 HG2 ILE 19 HG2 ILE 19 -7.588 16.283 6.676
115 HG2 ILE 19 HG2 ILE 19 -7.016 16.760 8.268
116 HG1 ILE 19 HG1 ILE 19 -4.503 14.238 7.132
117 HG1 ILE 19 HG1 ILE 19 -4.873 15.020 8.635
118 HD1 ILE 19 HD1 ILE 19 -7.176 14.372 8.555
119 HD1 ILE 19 HD1 ILE 19 -7.009 13.774 6.888
120 HD1 ILE 19 HD1 ILE 19 -6.163 12.962 8.207
121 H GLN 20 H GLN 20 -3.359 17.654 5.473
122 HA GLN 20 HA GLN 20 -1.465 16.176 3.914
123 1HB GLN 20 HB2 GLN 20 -0.172 18.302 4.052
124 2HB GLN 20 HB3 GLN 20 -1.847 18.581 3.577
125 1HG GLN 20 HG2 GLN 20 -2.328 19.138 6.064
126 2HG GLN 20 HG3 GLN 20 -0.585 19.096 6.308
127 HE2 GLN 20 HE2 GLN 20 -3.208 20.809 4.509
128 HE2 GLN 20 HE2 GLN 20 -2.235 22.269 4.353
129 H GLU 21 H GLU 21 0.489 15.498 4.501
130 HA GLU 21 HA GLU 21 0.703 13.993 6.870
131 1HB GLU 21 HB2 GLU 21 1.678 13.327 4.825
132 2HB GLU 21 HB3 GLU 21 2.688 14.768 4.705
133 1HG GLU 21 HG2 GLU 21 4.221 14.005 6.268
134 2HG GLU 21 HG3 GLU 21 3.093 12.935 7.059
135 H ARG 22 H ARG 22 1.610 17.337 6.561
136 HA ARG 22 HA ARG 22 3.363 17.467 8.854
137 1HB ARG 22 HB2 ARG 22 3.502 19.466 7.954
138 2HB ARG 22 HB3 ARG 22 1.980 19.297 7.081
139 1HG ARG 22 HG2 ARG 22 0.715 19.956 8.984
140 2HG ARG 22 HG3 ARG 22 2.161 20.072 10.009
141 1HD ARG 22 HD2 ARG 22 1.369 22.264 9.250
142 2HD ARG 22 HD3 ARG 22 3.050 21.899 8.835
143 HE ARG 22 HE ARG 22 0.916 21.511 6.758
144 HH1 ARG 22 HH1 ARG 22 1.085 22.430 4.927
145 HH1 ARG 22 HH1 ARG 22 2.328 23.626 4.535
146 HH2 ARG 22 HH2 ARG 22 3.792 24.208 6.188
147 HH2 ARG 22 HH2 ARG 22 3.664 23.455 7.759
148 H TRP 23 H TRP 23 -0.067 16.654 8.714
149 HA TRP 23 HA TRP 23 -0.399 17.118 11.557
150 1HB TRP 23 HB2 TRP 23 -2.334 15.981 9.527
151 2HB TRP 23 HB3 TRP 23 -2.602 16.528 11.184
152 HD1 TRP 23 HD1 TRP 23 -0.656 19.050 10.036
153 HE1 TRP 23 HE1 TRP 23 -1.940 21.209 9.413
154 HE3 TRP 23 HE3 TRP 23 -5.307 17.109 9.928
155 HZ2 TRP 23 HZ2 TRP 23 -4.662 21.954 9.020
156 HZ3 TRP 23 HZ3 TRP 23 -7.267 18.594 9.670
157 HH2 TRP 23 HH2 TRP 23 -6.970 21.006 9.168
158 H LYS 24 H LYS 24 1.087 14.513 9.793
159 HA LYS 24 HA LYS 24 0.180 12.328 11.481
160 1HB LYS 24 HB2 LYS 24 2.375 12.678 9.379
161 2HB LYS 24 HB3 LYS 24 2.037 11.178 10.209
162 1HG LYS 24 HG2 LYS 24 -0.236 11.093 9.215
163 2HG LYS 24 HG3 LYS 24 0.011 12.673 8.526
164 1HD LYS 24 HD2 LYS 24 1.070 11.863 6.740
165 2HD LYS 24 HD3 LYS 24 2.204 10.936 7.715
166 1HE LYS 24 HE2 LYS 24 0.809 9.020 7.688
167 2HE LYS 24 HE3 LYS 24 -0.565 9.919 7.007
168 1HZ LYS 24 HZ1 LYS 24 1.072 8.580 5.437
169 2HZ LYS 24 HZ2 LYS 24 0.428 10.012 4.946
170 3HZ LYS 24 HZ3 LYS 24 1.952 9.999 5.513
171 H CYS 25 H CYS 25 1.012 12.167 13.478
172 HA CYS 25 HA CYS 25 2.065 12.838 15.332
173 1HB CYS 25 HB2 CYS 25 4.597 12.860 15.362
174 2HB CYS 25 HB3 CYS 25 3.696 11.369 15.273
175 H ASP 26 H ASP 26 0.893 14.815 14.540
176 HA ASP 26 HA ASP 26 2.733 17.122 14.760
177 1HB ASP 26 HB2 ASP 26 1.136 18.258 13.702
178 2HB ASP 26 HB3 ASP 26 0.335 16.757 13.386
179 H GLY 27 H GLY 27 0.596 15.032 16.564
180 1HA GLY 27 HA1 GLY 27 0.777 14.867 18.966
181 2HA GLY 27 HA2 GLY 27 1.064 16.602 19.075
182 H ASP 28 H ASP 28 -1.495 16.394 16.780
183 HA ASP 28 HA ASP 28 -3.493 16.121 18.945
184 1HB ASP 28 HB2 ASP 28 -3.011 18.511 18.282
185 2HB ASP 28 HB3 ASP 28 -3.721 18.138 16.711
186 H ASN 29 H ASN 29 -5.469 15.619 18.441
187 HA ASN 29 HA ASN 29 -5.995 13.503 16.525
188 1HB ASN 29 HB2 ASN 29 -8.337 14.754 17.871
189 2HB ASN 29 HB3 ASN 29 -7.886 13.102 17.688
190 HD2 ASN 29 HD2 ASN 29 -6.630 16.035 19.696
191 HD2 ASN 29 HD2 ASN 29 -6.571 14.949 21.085
192 H ASP 30 H ASP 30 -5.133 15.308 14.928
193 HA ASP 30 HA ASP 30 -6.855 17.327 13.912
194 1HB ASP 30 HB2 ASP 30 -5.224 17.418 12.229
195 2HB ASP 30 HB3 ASP 30 -4.353 16.829 13.640
196 H CYS 31 H CYS 31 -6.681 13.932 13.505
197 HA CYS 31 HA CYS 31 -8.730 13.593 11.531
198 1HB CYS 31 HB2 CYS 31 -6.830 12.146 11.744
199 2HB CYS 31 HB3 CYS 31 -7.193 11.785 13.427
200 H LEU 32 H LEU 32 -9.085 14.278 14.835
201 HA LEU 32 HA LEU 32 -10.647 14.080 16.385
202 1HB LEU 32 HB2 LEU 32 -12.635 14.846 15.783
203 2HB LEU 32 HB3 LEU 32 -11.926 14.904 14.183
204 HG LEU 32 HG LEU 32 -12.964 12.457 13.956
205 HD1 LEU 32 HD1 LEU 32 -15.131 12.273 15.079
206 HD1 LEU 32 HD1 LEU 32 -13.857 12.349 16.295
207 HD1 LEU 32 HD1 LEU 32 -14.840 13.789 15.964
208 HD2 LEU 32 HD2 LEU 32 -13.514 14.356 12.529
209 HD2 LEU 32 HD2 LEU 32 -14.992 13.510 13.007
210 HD2 LEU 32 HD2 LEU 32 -14.560 15.044 13.796
211 H ASP 33 H ASP 33 -10.604 11.336 14.249
212 HA ASP 33 HA ASP 33 -11.631 9.338 16.145
213 1HB ASP 33 HB2 ASP 33 -11.949 8.593 14.004
214 2HB ASP 33 HB3 ASP 33 -10.612 9.513 13.355
215 H ASN 34 H ASN 34 -8.736 10.978 15.495
216 HA ASN 34 HA ASN 34 -6.595 10.920 16.090
217 1HB ASN 34 HB2 ASN 34 -7.595 10.891 18.419
218 2HB ASN 34 HB3 ASN 34 -7.408 9.140 18.427
219 HD2 ASN 34 HD2 ASN 34 -6.034 11.666 19.853
220 HD2 ASN 34 HD2 ASN 34 -4.342 11.104 19.738
221 H SER 35 H SER 35 -5.923 9.986 14.216
222 HA SER 35 HA SER 35 -5.426 7.057 14.304
223 1HB SER 35 HB2 SER 35 -6.125 8.949 12.058
224 2HB SER 35 HB3 SER 35 -5.106 7.556 11.724
225 HG SER 35 HG SER 35 -7.773 7.420 12.919
226 H ASP 36 H ASP 36 -4.130 10.063 13.054
227 HA ASP 36 HA ASP 36 -1.442 9.668 12.636
228 1HB ASP 36 HB2 ASP 36 -1.516 12.127 13.574
229 2HB ASP 36 HB3 ASP 36 -2.274 11.749 12.056
230 H GLU 37 H GLU 37 -2.891 10.917 15.570
231 HA GLU 37 HA GLU 37 -0.487 10.412 16.966
232 1HB GLU 37 HB2 GLU 37 -2.983 11.523 18.204
233 2HB GLU 37 HB3 GLU 37 -1.277 11.768 18.645
234 1HG GLU 37 HG2 GLU 37 -2.574 12.616 16.065
235 2HG GLU 37 HG3 GLU 37 -2.231 13.694 17.394
236 H ALA 38 H ALA 38 -2.465 7.940 16.199
237 HA ALA 38 HA ALA 38 -1.904 6.629 18.768
238 1HB ALA 38 HB1 ALA 38 -4.247 6.521 17.986
239 2HB ALA 38 HB2 ALA 38 -3.707 5.990 16.387
240 3HB ALA 38 HB3 ALA 38 -3.464 4.930 17.801
241 HA PRO 39 HA PRO 39 1.682 5.396 16.375
242 1HB PRO 39 HB2 PRO 39 2.716 3.393 17.933
243 2HB PRO 39 HB3 PRO 39 2.655 5.105 18.438
244 1HG PRO 39 HG2 PRO 39 0.649 2.916 19.087
245 2HG PRO 39 HG3 PRO 39 1.490 4.015 20.233
246 1HD PRO 39 HD2 PRO 39 -0.997 4.576 19.335
247 2HD PRO 39 HD3 PRO 39 0.214 5.880 19.518
248 H ALA 40 H ALA 40 -0.884 4.185 15.664
249 HA ALA 40 HA ALA 40 -0.093 1.755 14.130
250 1HB ALA 40 HB1 ALA 40 -2.664 3.417 14.154
251 2HB ALA 40 HB2 ALA 40 -2.368 1.969 13.166
252 3HB ALA 40 HB3 ALA 40 -2.441 1.833 14.936
253 H LEU 41 H LEU 41 -0.272 5.254 14.147
254 HA LEU 41 HA LEU 41 0.753 5.367 11.376
255 1HB LEU 41 HB2 LEU 41 -1.531 6.373 11.890
256 2HB LEU 41 HB3 LEU 41 -0.711 7.616 12.817
257 HG LEU 41 HG LEU 41 0.119 6.958 9.972
258 HD1 LEU 41 HD1 LEU 41 -1.990 9.018 10.683
259 HD1 LEU 41 HD1 LEU 41 -1.323 8.694 9.082
260 HD1 LEU 41 HD1 LEU 41 -2.297 7.460 9.894
261 HD2 LEU 41 HD2 LEU 41 1.714 8.345 11.051
262 HD2 LEU 41 HD2 LEU 41 0.846 9.277 9.879
263 HD2 LEU 41 HD2 LEU 41 0.453 9.476 11.607
264 H CYS 42 H CYS 42 0.880 7.953 14.042
265 HA CYS 42 HA CYS 42 3.776 7.290 14.120
266 1HB CYS 42 HB2 CYS 42 3.342 9.008 12.356
267 2HB CYS 42 HB3 CYS 42 2.740 10.066 13.618
268 H HIS 43 H HIS 43 1.265 9.376 15.716
269 HA HIS 43 HA HIS 43 1.226 10.353 17.781
270 1HB HIS 43 HB2 HIS 43 0.826 8.042 18.445
271 2HB HIS 43 HB3 HIS 43 2.541 7.713 18.492
272 HD1 HIS 43 HD1 HIS 43 3.662 7.903 20.730
273 HD2 HIS 43 HD2 HIS 43 0.159 10.204 20.421
274 HE1 HIS 43 HE1 HIS 43 3.216 8.893 23.068
275 H GLN 44 H GLN 44 2.197 12.221 17.725
276 HA GLN 44 HA GLN 44 5.075 12.421 18.196
277 1HB GLN 44 HB2 GLN 44 3.562 14.203 17.101
278 2HB GLN 44 HB3 GLN 44 3.150 14.686 18.745
279 1HG GLN 44 HG2 GLN 44 5.640 14.864 19.232
280 2HG GLN 44 HG3 GLN 44 5.952 14.529 17.524
281 HE2 GLN 44 HE2 GLN 44 4.613 16.141 15.931
282 HE2 GLN 44 HE2 GLN 44 4.554 17.784 16.609
283 H HIS 45 H HIS 45 5.769 11.465 19.982
284 HA HIS 45 HA HIS 45 4.737 10.950 22.414
285 1HB HIS 45 HB2 HIS 45 7.005 10.871 23.282
286 2HB HIS 45 HB3 HIS 45 6.971 10.263 21.633
287 HD1 HIS 45 HD1 HIS 45 8.522 11.558 19.887
288 HD2 HIS 45 HD2 HIS 45 8.118 13.389 23.660
289 HE1 HIS 45 HE1 HIS 45 10.190 13.499 19.950
Start of MODEL 13
1 H GLY 1 H GLY 1 -2.066 -2.138 -0.160
2 1HA GLY 1 HA1 GLY 1 0.046 -1.381 -1.540
3 2HA GLY 1 HA2 GLY 1 -1.534 -0.757 -2.026
4 H SER 2 H SER 2 -0.601 0.447 0.943
5 HA SER 2 HA SER 2 -0.514 2.680 1.630
6 1HB SER 2 HB2 SER 2 2.167 2.160 0.313
7 2HB SER 2 HB3 SER 2 1.848 3.446 1.494
8 HG SER 2 HG SER 2 1.408 1.910 3.038
9 HA PRO 3 HA PRO 3 -1.443 4.790 -2.440
10 1HB PRO 3 HB2 PRO 3 -3.845 5.754 -0.921
11 2HB PRO 3 HB3 PRO 3 -3.743 5.130 -2.587
12 1HG PRO 3 HG2 PRO 3 -4.781 3.618 -0.572
13 2HG PRO 3 HG3 PRO 3 -3.788 2.898 -1.880
14 1HD PRO 3 HD2 PRO 3 -2.943 3.623 0.928
15 2HD PRO 3 HD3 PRO 3 -2.580 2.170 -0.038
16 HA PRO 4 HA PRO 4 0.089 8.735 -1.052
17 1HB PRO 4 HB2 PRO 4 -0.860 10.512 -2.922
18 2HB PRO 4 HB3 PRO 4 0.345 9.241 -3.311
19 1HG PRO 4 HG2 PRO 4 -2.662 9.179 -3.716
20 2HG PRO 4 HG3 PRO 4 -1.376 8.774 -4.901
21 1HD PRO 4 HD2 PRO 4 -2.644 6.859 -3.470
22 2HD PRO 4 HD3 PRO 4 -0.894 6.731 -3.816
23 H GLN 5 H GLN 5 -3.366 8.529 -1.309
24 HA GLN 5 HA GLN 5 -5.019 9.226 0.036
25 1HB GLN 5 HB2 GLN 5 -3.017 10.712 1.757
26 2HB GLN 5 HB3 GLN 5 -4.667 10.250 2.173
27 1HG GLN 5 HG2 GLN 5 -2.196 8.519 1.848
28 2HG GLN 5 HG3 GLN 5 -3.180 8.738 3.277
29 HE2 GLN 5 HE2 GLN 5 -2.338 6.287 1.499
30 HE2 GLN 5 HE2 GLN 5 -3.924 5.469 1.438
31 H CYS 6 H CYS 6 -3.673 12.333 0.863
32 HA CYS 6 HA CYS 6 -5.856 13.623 -0.600
33 1HB CYS 6 HB2 CYS 6 -4.585 14.132 1.746
34 2HB CYS 6 HB3 CYS 6 -3.677 15.211 0.722
35 H GLN 7 H GLN 7 -2.358 13.581 -0.855
36 HA GLN 7 HA GLN 7 -2.193 14.404 -3.617
37 1HB GLN 7 HB2 GLN 7 -0.501 15.977 -1.665
38 2HB GLN 7 HB3 GLN 7 -0.934 16.352 -3.330
39 1HG GLN 7 HG2 GLN 7 -3.270 16.872 -2.572
40 2HG GLN 7 HG3 GLN 7 -2.729 16.654 -0.911
41 HE2 GLN 7 HE2 GLN 7 -1.023 18.160 -0.010
42 HE2 GLN 7 HE2 GLN 7 -0.888 19.721 -0.865
43 HA PRO 8 HA PRO 8 1.087 11.477 -3.138
44 1HB PRO 8 HB2 PRO 8 3.409 12.295 -4.313
45 2HB PRO 8 HB3 PRO 8 1.911 11.891 -5.197
46 1HG PRO 8 HG2 PRO 8 2.877 14.634 -4.348
47 2HG PRO 8 HG3 PRO 8 2.288 14.117 -5.961
48 1HD PRO 8 HD2 PRO 8 0.692 15.380 -4.187
49 2HD PRO 8 HD3 PRO 8 0.038 14.073 -5.223
50 H GLY 9 H GLY 9 0.942 11.621 -0.859
51 1HA GLY 9 HA1 GLY 9 2.982 10.807 0.541
52 2HA GLY 9 HA2 GLY 9 3.427 12.514 0.562
53 H GLU 10 H GLU 10 0.048 12.200 0.777
54 HA GLU 10 HA GLU 10 0.386 13.693 3.210
55 1HB GLU 10 HB2 GLU 10 -1.938 13.093 1.355
56 2HB GLU 10 HB3 GLU 10 -2.056 14.294 2.626
57 1HG GLU 10 HG2 GLU 10 0.106 14.400 0.440
58 2HG GLU 10 HG3 GLU 10 -1.482 15.071 0.304
59 H PHE 11 H PHE 11 -2.241 13.501 4.537
60 HA PHE 11 HA PHE 11 -2.093 10.870 5.695
61 1HB PHE 11 HB2 PHE 11 -1.258 12.316 7.168
62 2HB PHE 11 HB3 PHE 11 -2.367 13.608 6.875
63 HD1 PHE 11 HD1 PHE 11 -2.920 9.920 7.671
64 HD2 PHE 11 HD2 PHE 11 -3.242 14.000 9.065
65 HE1 PHE 11 HE1 PHE 11 -4.273 9.166 9.565
66 HE2 PHE 11 HE2 PHE 11 -4.589 13.219 10.968
67 HZ PHE 11 HZ PHE 11 -5.140 10.841 11.219
68 H ALA 12 H ALA 12 -3.641 9.589 5.588
69 HA ALA 12 HA ALA 12 -6.444 10.447 5.154
70 1HB ALA 12 HB1 ALA 12 -6.858 8.021 4.756
71 2HB ALA 12 HB2 ALA 12 -5.862 8.859 3.569
72 3HB ALA 12 HB3 ALA 12 -5.098 7.775 4.773
73 H CYS 13 H CYS 13 -7.477 10.824 6.915
74 HA CYS 13 HA CYS 13 -7.050 9.527 9.513
75 1HB CYS 13 HB2 CYS 13 -7.694 11.909 9.286
76 2HB CYS 13 HB3 CYS 13 -9.134 11.403 8.404
77 H ALA 14 H ALA 14 -7.980 7.556 9.969
78 HA ALA 14 HA ALA 14 -9.924 6.264 8.371
79 1HB ALA 14 HB1 ALA 14 -10.062 4.678 10.210
80 2HB ALA 14 HB2 ALA 14 -8.372 5.147 9.938
81 3HB ALA 14 HB3 ALA 14 -9.277 5.825 11.307
82 H ASN 15 H ASN 15 -10.556 8.916 10.559
83 HA ASN 15 HA ASN 15 -13.376 8.249 10.948
84 1HB ASN 15 HB2 ASN 15 -12.281 9.876 12.437
85 2HB ASN 15 HB3 ASN 15 -11.994 10.975 11.094
86 HD2 ASN 15 HD2 ASN 15 -14.681 9.387 12.906
87 HD2 ASN 15 HD2 ASN 15 -15.773 10.722 12.512
88 H SER 16 H SER 16 -11.506 9.558 8.365
89 HA SER 16 HA SER 16 -12.157 8.912 6.178
90 1HB SER 16 HB2 SER 16 -14.781 10.389 6.540
91 2HB SER 16 HB3 SER 16 -14.208 9.554 5.083
92 HG SER 16 HG SER 16 -14.820 8.494 7.610
93 H ARG 17 H ARG 17 -10.378 10.576 6.865
94 HA ARG 17 HA ARG 17 -10.976 13.173 5.413
95 1HB ARG 17 HB2 ARG 17 -9.237 13.417 7.815
96 2HB ARG 17 HB3 ARG 17 -10.220 14.611 7.037
97 1HG ARG 17 HG2 ARG 17 -11.241 12.357 8.833
98 2HG ARG 17 HG3 ARG 17 -10.941 14.010 9.320
99 1HD ARG 17 HD2 ARG 17 -13.161 13.002 7.524
100 2HD ARG 17 HD3 ARG 17 -13.278 13.725 9.102
101 HE ARG 17 HE ARG 17 -12.710 15.866 8.214
102 HH1 ARG 17 HH1 ARG 17 -13.137 17.400 6.672
103 HH1 ARG 17 HH1 ARG 17 -13.525 16.924 5.048
104 HH2 ARG 17 HH2 ARG 17 -13.660 14.793 4.465
105 HH2 ARG 17 HH2 ARG 17 -13.269 13.520 5.586
106 H CYS 18 H CYS 18 -9.681 14.107 4.007
107 HA CYS 18 HA CYS 18 -6.868 13.160 4.057
108 1HB CYS 18 HB2 CYS 18 -6.502 13.206 2.008
109 2HB CYS 18 HB3 CYS 18 -8.205 12.810 1.911
110 H ILE 19 H ILE 19 -5.506 14.258 4.966
111 HA ILE 19 HA ILE 19 -5.450 17.224 4.778
112 HB ILE 19 HB ILE 19 -4.579 17.189 7.204
113 HG2 ILE 19 HG2 ILE 19 -6.595 18.362 6.592
114 HG2 ILE 19 HG2 ILE 19 -7.556 16.873 6.692
115 HG2 ILE 19 HG2 ILE 19 -6.818 17.562 8.158
116 HG1 ILE 19 HG1 ILE 19 -4.636 14.597 7.270
117 HG1 ILE 19 HG1 ILE 19 -5.017 15.527 8.699
118 HD1 ILE 19 HD1 ILE 19 -7.377 15.092 8.494
119 HD1 ILE 19 HD1 ILE 19 -7.128 14.250 6.948
120 HD1 ILE 19 HD1 ILE 19 -6.460 13.581 8.440
121 H GLN 20 H GLN 20 -3.262 17.913 5.446
122 HA GLN 20 HA GLN 20 -1.394 16.316 3.938
123 1HB GLN 20 HB2 GLN 20 -0.075 18.462 3.950
124 2HB GLN 20 HB3 GLN 20 -1.714 18.641 3.312
125 1HG GLN 20 HG2 GLN 20 -2.495 19.662 5.386
126 2HG GLN 20 HG3 GLN 20 -0.974 19.291 6.188
127 HE2 GLN 20 HE2 GLN 20 -0.554 20.527 2.932
128 HE2 GLN 20 HE2 GLN 20 -0.154 22.153 3.496
129 H GLU 21 H GLU 21 0.697 15.982 4.431
130 HA GLU 21 HA GLU 21 1.063 14.549 6.762
131 1HB GLU 21 HB2 GLU 21 2.171 13.900 4.834
132 2HB GLU 21 HB3 GLU 21 2.865 15.488 4.528
133 1HG GLU 21 HG2 GLU 21 4.573 15.232 6.057
134 2HG GLU 21 HG3 GLU 21 3.802 13.962 6.962
135 H ARG 22 H ARG 22 1.655 17.909 6.452
136 HA ARG 22 HA ARG 22 3.349 18.482 8.702
137 1HB ARG 22 HB2 ARG 22 2.726 20.319 7.450
138 2HB ARG 22 HB3 ARG 22 1.038 19.842 7.359
139 1HG ARG 22 HG2 ARG 22 0.723 20.408 9.753
140 2HG ARG 22 HG3 ARG 22 2.415 20.948 9.849
141 1HD ARG 22 HD2 ARG 22 1.999 22.862 8.614
142 2HD ARG 22 HD3 ARG 22 0.754 22.083 7.645
143 HE ARG 22 HE ARG 22 0.313 22.814 10.508
144 HH1 ARG 22 HH1 ARG 22 -1.661 23.586 11.094
145 HH1 ARG 22 HH1 ARG 22 -2.874 23.908 9.902
146 HH2 ARG 22 HH2 ARG 22 -2.459 23.641 7.743
147 HH2 ARG 22 HH2 ARG 22 -1.009 22.856 7.180
148 H TRP 23 H TRP 23 0.105 17.019 8.698
149 HA TRP 23 HA TRP 23 -0.186 17.373 11.588
150 1HB TRP 23 HB2 TRP 23 -2.089 16.229 9.525
151 2HB TRP 23 HB3 TRP 23 -2.457 16.814 11.130
152 HD1 TRP 23 HD1 TRP 23 -0.616 18.984 8.504
153 HE1 TRP 23 HE1 TRP 23 -2.028 20.960 7.838
154 HE3 TRP 23 HE3 TRP 23 -4.915 17.729 10.907
155 HZ2 TRP 23 HZ2 TRP 23 -4.715 21.881 8.215
156 HZ3 TRP 23 HZ3 TRP 23 -6.921 19.153 10.715
157 HH2 TRP 23 HH2 TRP 23 -6.841 21.246 9.366
158 H LYS 24 H LYS 24 1.405 15.004 9.645
159 HA LYS 24 HA LYS 24 0.528 12.693 11.148
160 1HB LYS 24 HB2 LYS 24 2.724 13.197 9.082
161 2HB LYS 24 HB3 LYS 24 2.435 11.636 9.838
162 1HG LYS 24 HG2 LYS 24 0.216 11.451 8.822
163 2HG LYS 24 HG3 LYS 24 0.282 13.143 8.362
164 1HD LYS 24 HD2 LYS 24 0.746 12.330 6.329
165 2HD LYS 24 HD3 LYS 24 2.365 12.458 6.959
166 1HE LYS 24 HE2 LYS 24 2.458 10.069 7.375
167 2HE LYS 24 HE3 LYS 24 0.780 9.899 6.794
168 1HZ LYS 24 HZ1 LYS 24 3.008 11.052 5.189
169 2HZ LYS 24 HZ2 LYS 24 2.468 9.504 5.017
170 3HZ LYS 24 HZ3 LYS 24 1.482 10.777 4.644
171 H CYS 25 H CYS 25 1.217 12.463 13.113
172 HA CYS 25 HA CYS 25 2.346 12.787 15.020
173 1HB CYS 25 HB2 CYS 25 4.847 12.444 14.943
174 2HB CYS 25 HB3 CYS 25 3.738 11.134 14.605
175 H ASP 26 H ASP 26 1.468 15.184 14.229
176 HA ASP 26 HA ASP 26 3.594 16.959 15.294
177 1HB ASP 26 HB2 ASP 26 1.558 18.534 15.630
178 2HB ASP 26 HB3 ASP 26 2.154 18.292 13.979
179 H GLY 27 H GLY 27 1.061 14.728 16.265
180 1HA GLY 27 HA1 GLY 27 0.755 13.973 18.523
181 2HA GLY 27 HA2 GLY 27 1.380 15.515 19.122
182 H ASP 28 H ASP 28 -0.751 16.078 16.439
183 HA ASP 28 HA ASP 28 -2.866 16.889 18.385
184 1HB ASP 28 HB2 ASP 28 -1.944 18.602 16.780
185 2HB ASP 28 HB3 ASP 28 -2.682 17.687 15.466
186 H ASN 29 H ASN 29 -4.661 15.885 18.561
187 HA ASN 29 HA ASN 29 -5.234 13.329 17.665
188 1HB ASN 29 HB2 ASN 29 -7.364 15.485 17.968
189 2HB ASN 29 HB3 ASN 29 -7.525 13.777 18.209
190 HD2 ASN 29 HD2 ASN 29 -5.643 12.952 20.014
191 HD2 ASN 29 HD2 ASN 29 -5.769 13.978 21.463
192 H ASP 30 H ASP 30 -5.789 16.332 16.092
193 HA ASP 30 HA ASP 30 -6.929 17.202 14.437
194 1HB ASP 30 HB2 ASP 30 -5.231 17.539 13.092
195 2HB ASP 30 HB3 ASP 30 -4.369 16.542 14.224
196 H CYS 31 H CYS 31 -6.491 13.931 13.781
197 HA CYS 31 HA CYS 31 -8.660 13.591 11.956
198 1HB CYS 31 HB2 CYS 31 -6.661 12.286 11.750
199 2HB CYS 31 HB3 CYS 31 -6.697 11.772 13.433
200 H LEU 32 H LEU 32 -8.420 13.626 15.331
201 HA LEU 32 HA LEU 32 -9.914 13.397 17.039
202 1HB LEU 32 HB2 LEU 32 -11.994 14.072 16.685
203 2HB LEU 32 HB3 LEU 32 -11.547 14.189 15.000
204 HG LEU 32 HG LEU 32 -12.438 11.698 14.828
205 HD1 LEU 32 HD1 LEU 32 -12.838 11.385 17.286
206 HD1 LEU 32 HD1 LEU 32 -13.977 12.742 17.250
207 HD1 LEU 32 HD1 LEU 32 -14.320 11.257 16.337
208 HD2 LEU 32 HD2 LEU 32 -13.409 13.608 13.672
209 HD2 LEU 32 HD2 LEU 32 -14.680 12.582 14.344
210 HD2 LEU 32 HD2 LEU 32 -14.259 14.110 15.154
211 H ASP 33 H ASP 33 -10.021 10.939 14.572
212 HA ASP 33 HA ASP 33 -10.558 8.656 16.358
213 1HB ASP 33 HB2 ASP 33 -11.364 8.218 14.262
214 2HB ASP 33 HB3 ASP 33 -10.185 9.209 13.446
215 H ASN 34 H ASN 34 -7.972 10.679 15.566
216 HA ASN 34 HA ASN 34 -5.767 10.737 15.822
217 1HB ASN 34 HB2 ASN 34 -6.310 8.712 18.055
218 2HB ASN 34 HB3 ASN 34 -4.782 9.533 17.808
219 HD2 ASN 34 HD2 ASN 34 -8.332 10.526 18.254
220 HD2 ASN 34 HD2 ASN 34 -7.823 11.749 19.400
221 H SER 35 H SER 35 -5.753 9.704 13.575
222 HA SER 35 HA SER 35 -5.227 6.818 13.560
223 1HB SER 35 HB2 SER 35 -5.773 8.891 11.428
224 2HB SER 35 HB3 SER 35 -4.889 7.431 11.003
225 HG SER 35 HG SER 35 -7.473 7.291 12.337
226 H ASP 36 H ASP 36 -3.722 9.899 12.542
227 HA ASP 36 HA ASP 36 -1.269 8.843 11.750
228 1HB ASP 36 HB2 ASP 36 -0.531 11.109 11.955
229 2HB ASP 36 HB3 ASP 36 -1.929 10.892 10.926
230 H GLU 37 H GLU 37 -2.339 10.528 14.652
231 HA GLU 37 HA GLU 37 -0.008 10.134 16.217
232 1HB GLU 37 HB2 GLU 37 -2.766 10.822 17.237
233 2HB GLU 37 HB3 GLU 37 -1.197 11.181 17.972
234 1HG GLU 37 HG2 GLU 37 -2.342 12.305 15.445
235 2HG GLU 37 HG3 GLU 37 -2.100 13.159 16.998
236 H ALA 38 H ALA 38 -1.936 7.490 15.278
237 HA ALA 38 HA ALA 38 -0.907 6.198 17.718
238 1HB ALA 38 HB1 ALA 38 -3.047 5.327 15.734
239 2HB ALA 38 HB2 ALA 38 -2.431 4.354 17.090
240 3HB ALA 38 HB3 ALA 38 -3.321 5.861 17.403
241 HA PRO 39 HA PRO 39 2.358 5.069 14.962
242 1HB PRO 39 HB2 PRO 39 3.577 3.040 16.322
243 2HB PRO 39 HB3 PRO 39 3.506 4.717 16.929
244 1HG PRO 39 HG2 PRO 39 1.627 2.429 17.614
245 2HG PRO 39 HG3 PRO 39 2.534 3.489 18.748
246 1HD PRO 39 HD2 PRO 39 -0.036 4.021 18.091
247 2HD PRO 39 HD3 PRO 39 1.154 5.345 18.262
248 H ALA 40 H ALA 40 -0.270 3.784 14.500
249 HA ALA 40 HA ALA 40 0.409 1.485 12.740
250 1HB ALA 40 HB1 ALA 40 -1.897 1.836 11.899
251 2HB ALA 40 HB2 ALA 40 -1.893 1.600 13.659
252 3HB ALA 40 HB3 ALA 40 -2.091 3.233 12.980
253 H LEU 41 H LEU 41 0.310 4.983 12.946
254 HA LEU 41 HA LEU 41 1.344 5.239 10.166
255 1HB LEU 41 HB2 LEU 41 -0.878 6.250 10.624
256 2HB LEU 41 HB3 LEU 41 -0.159 7.220 11.888
257 HG LEU 41 HG LEU 41 1.213 7.392 9.234
258 HD1 LEU 41 HD1 LEU 41 -1.592 8.523 9.521
259 HD1 LEU 41 HD1 LEU 41 -0.471 8.880 8.197
260 HD1 LEU 41 HD1 LEU 41 -1.082 7.230 8.417
261 HD2 LEU 41 HD2 LEU 41 1.205 9.047 11.472
262 HD2 LEU 41 HD2 LEU 41 1.924 9.354 9.882
263 HD2 LEU 41 HD2 LEU 41 0.297 9.920 10.271
264 H CYS 42 H CYS 42 1.438 7.571 13.067
265 HA CYS 42 HA CYS 42 4.363 7.028 13.089
266 1HB CYS 42 HB2 CYS 42 3.805 8.896 11.543
267 2HB CYS 42 HB3 CYS 42 3.062 9.748 12.888
268 H HIS 43 H HIS 43 1.980 9.137 14.781
269 HA HIS 43 HA HIS 43 1.902 9.971 16.867
270 1HB HIS 43 HB2 HIS 43 1.422 7.574 17.427
271 2HB HIS 43 HB3 HIS 43 3.133 7.295 17.694
272 HD1 HIS 43 HD1 HIS 43 0.160 8.854 19.383
273 HD2 HIS 43 HD2 HIS 43 4.293 8.294 19.927
274 HE1 HIS 43 HE1 HIS 43 0.682 9.454 21.858
275 H GLN 44 H GLN 44 2.900 11.393 18.048
276 HA GLN 44 HA GLN 44 5.745 11.069 18.771
277 1HB GLN 44 HB2 GLN 44 6.069 12.117 16.717
278 2HB GLN 44 HB3 GLN 44 4.734 13.240 16.955
279 1HG GLN 44 HG2 GLN 44 7.165 13.392 18.760
280 2HG GLN 44 HG3 GLN 44 7.250 14.024 17.114
281 HE2 GLN 44 HE2 GLN 44 5.104 15.399 16.491
282 HE2 GLN 44 HE2 GLN 44 4.603 16.506 17.780
283 H HIS 45 H HIS 45 3.246 13.669 18.857
284 HA HIS 45 HA HIS 45 2.828 15.204 20.522
285 1HB HIS 45 HB2 HIS 45 1.298 13.151 20.734
286 2HB HIS 45 HB3 HIS 45 2.286 12.671 22.107
287 HD1 HIS 45 HD1 HIS 45 -0.432 15.198 21.086
288 HD2 HIS 45 HD2 HIS 45 2.037 14.193 24.373
289 HE1 HIS 45 HE1 HIS 45 -1.379 16.391 23.118
Start of MODEL 14
1 H GLY 1 H GLY 1 1.610 -0.255 -5.679
2 1HA GLY 1 HA1 GLY 1 -0.330 -0.030 -4.270
3 2HA GLY 1 HA2 GLY 1 0.725 -1.148 -3.399
4 H SER 2 H SER 2 2.282 1.739 -3.278
5 HA SER 2 HA SER 2 1.800 2.300 -0.509
6 1HB SER 2 HB2 SER 2 3.196 4.296 -0.937
7 2HB SER 2 HB3 SER 2 3.923 2.823 -1.614
8 HG SER 2 HG SER 2 2.195 4.466 -3.118
9 HA PRO 3 HA PRO 3 -2.028 4.552 -1.481
10 1HB PRO 3 HB2 PRO 3 -2.861 5.200 1.056
11 2HB PRO 3 HB3 PRO 3 -3.031 3.584 0.311
12 1HG PRO 3 HG2 PRO 3 -0.860 4.542 2.194
13 2HG PRO 3 HG3 PRO 3 -1.800 3.018 2.264
14 1HD PRO 3 HD2 PRO 3 0.693 3.136 1.177
15 2HD PRO 3 HD3 PRO 3 -0.571 2.071 0.491
16 HA PRO 4 HA PRO 4 0.333 8.426 -1.522
17 1HB PRO 4 HB2 PRO 4 -1.119 9.818 -3.376
18 2HB PRO 4 HB3 PRO 4 -0.074 8.432 -3.793
19 1HG PRO 4 HG2 PRO 4 -3.074 8.446 -3.338
20 2HG PRO 4 HG3 PRO 4 -2.161 7.724 -4.703
21 1HD PRO 4 HD2 PRO 4 -2.970 6.242 -2.569
22 2HD PRO 4 HD3 PRO 4 -1.407 5.934 -3.379
23 H GLN 5 H GLN 5 -3.179 8.608 -1.187
24 HA GLN 5 HA GLN 5 -4.580 9.653 0.273
25 1HB GLN 5 HB2 GLN 5 -2.066 10.243 1.872
26 2HB GLN 5 HB3 GLN 5 -3.712 10.351 2.475
27 1HG GLN 5 HG2 GLN 5 -3.992 7.967 2.414
28 2HG GLN 5 HG3 GLN 5 -2.637 7.736 1.355
29 HE2 GLN 5 HE2 GLN 5 -0.713 7.136 2.199
30 HE2 GLN 5 HE2 GLN 5 -0.387 7.217 3.943
31 H CYS 6 H CYS 6 -5.607 11.520 -0.369
32 HA CYS 6 HA CYS 6 -6.128 13.621 -0.861
33 1HB CYS 6 HB2 CYS 6 -4.601 13.852 1.402
34 2HB CYS 6 HB3 CYS 6 -3.721 14.888 0.335
35 H GLN 7 H GLN 7 -2.636 13.411 -1.214
36 HA GLN 7 HA GLN 7 -2.584 14.373 -3.989
37 1HB GLN 7 HB2 GLN 7 -0.727 15.554 -1.881
38 2HB GLN 7 HB3 GLN 7 -1.055 16.128 -3.522
39 1HG GLN 7 HG2 GLN 7 -3.400 16.698 -2.790
40 2HG GLN 7 HG3 GLN 7 -2.908 16.387 -1.132
41 HE2 GLN 7 HE2 GLN 7 -1.170 18.039 -0.091
42 HE2 GLN 7 HE2 GLN 7 -1.026 19.488 -1.079
43 HA PRO 8 HA PRO 8 0.703 11.209 -3.674
44 1HB PRO 8 HB2 PRO 8 3.011 12.005 -4.837
45 2HB PRO 8 HB3 PRO 8 1.505 11.748 -5.762
46 1HG PRO 8 HG2 PRO 8 2.632 14.370 -4.749
47 2HG PRO 8 HG3 PRO 8 1.997 13.991 -6.380
48 1HD PRO 8 HD2 PRO 8 0.545 15.215 -4.410
49 2HD PRO 8 HD3 PRO 8 -0.225 14.179 -5.652
50 H GLY 9 H GLY 9 0.479 11.500 -1.264
51 1HA GLY 9 HA1 GLY 9 2.222 10.911 0.396
52 2HA GLY 9 HA2 GLY 9 3.089 12.372 -0.089
53 H GLU 10 H GLU 10 -0.289 11.795 1.093
54 HA GLU 10 HA GLU 10 0.346 13.827 3.223
55 1HB GLU 10 HB2 GLU 10 -2.223 13.725 1.659
56 2HB GLU 10 HB3 GLU 10 -1.970 14.779 2.937
57 1HG GLU 10 HG2 GLU 10 -0.030 14.822 0.556
58 2HG GLU 10 HG3 GLU 10 -1.581 15.558 0.478
59 H PHE 11 H PHE 11 -2.326 13.656 4.594
60 HA PHE 11 HA PHE 11 -2.138 10.965 5.631
61 1HB PHE 11 HB2 PHE 11 -1.338 12.512 7.166
62 2HB PHE 11 HB3 PHE 11 -2.634 13.631 6.913
63 HD1 PHE 11 HD1 PHE 11 -3.023 9.900 7.511
64 HD2 PHE 11 HD2 PHE 11 -3.378 13.893 9.146
65 HE1 PHE 11 HE1 PHE 11 -4.401 9.034 9.353
66 HE2 PHE 11 HE2 PHE 11 -4.754 13.000 10.975
67 HZ PHE 11 HZ PHE 11 -5.291 10.595 11.085
68 H ALA 12 H ALA 12 -3.657 9.648 5.292
69 HA ALA 12 HA ALA 12 -6.476 10.517 4.977
70 1HB ALA 12 HB1 ALA 12 -5.755 9.021 3.271
71 2HB ALA 12 HB2 ALA 12 -5.161 7.845 4.484
72 3HB ALA 12 HB3 ALA 12 -6.897 8.183 4.329
73 H CYS 13 H CYS 13 -7.540 10.760 6.738
74 HA CYS 13 HA CYS 13 -7.151 9.352 9.276
75 1HB CYS 13 HB2 CYS 13 -7.855 11.693 9.194
76 2HB CYS 13 HB3 CYS 13 -9.223 11.232 8.165
77 H ALA 14 H ALA 14 -8.026 7.392 9.630
78 HA ALA 14 HA ALA 14 -9.819 5.938 8.075
79 1HB ALA 14 HB1 ALA 14 -9.349 5.828 11.082
80 2HB ALA 14 HB2 ALA 14 -10.029 4.533 10.077
81 3HB ALA 14 HB3 ALA 14 -8.345 5.043 9.843
82 H ASN 15 H ASN 15 -10.732 8.636 10.173
83 HA ASN 15 HA ASN 15 -13.542 7.823 10.358
84 1HB ASN 15 HB2 ASN 15 -12.562 9.378 11.991
85 2HB ASN 15 HB3 ASN 15 -12.298 10.593 10.739
86 HD2 ASN 15 HD2 ASN 15 -13.833 12.186 10.872
87 HD2 ASN 15 HD2 ASN 15 -15.524 11.814 11.263
88 H SER 16 H SER 16 -11.570 9.295 7.960
89 HA SER 16 HA SER 16 -12.091 8.807 5.710
90 1HB SER 16 HB2 SER 16 -14.781 10.173 6.012
91 2HB SER 16 HB3 SER 16 -14.106 9.424 4.554
92 HG SER 16 HG SER 16 -14.830 8.235 6.992
93 H ARG 17 H ARG 17 -10.424 10.465 6.607
94 HA ARG 17 HA ARG 17 -11.040 13.137 5.298
95 1HB ARG 17 HB2 ARG 17 -9.397 13.264 7.786
96 2HB ARG 17 HB3 ARG 17 -10.311 14.503 7.005
97 1HG ARG 17 HG2 ARG 17 -11.480 12.193 8.621
98 2HG ARG 17 HG3 ARG 17 -11.207 13.826 9.195
99 1HD ARG 17 HD2 ARG 17 -13.286 12.892 7.204
100 2HD ARG 17 HD3 ARG 17 -13.520 13.602 8.776
101 HE ARG 17 HE ARG 17 -12.809 15.743 7.951
102 HH1 ARG 17 HH1 ARG 17 -13.150 17.299 6.412
103 HH1 ARG 17 HH1 ARG 17 -13.486 16.847 4.771
104 HH2 ARG 17 HH2 ARG 17 -13.653 14.722 4.165
105 HH2 ARG 17 HH2 ARG 17 -13.319 13.431 5.282
106 H CYS 18 H CYS 18 -9.712 14.210 4.011
107 HA CYS 18 HA CYS 18 -6.901 13.290 4.122
108 1HB CYS 18 HB2 CYS 18 -6.410 13.343 2.140
109 2HB CYS 18 HB3 CYS 18 -8.077 12.810 1.970
110 H ILE 19 H ILE 19 -5.565 14.360 5.012
111 HA ILE 19 HA ILE 19 -5.536 17.344 4.961
112 HB ILE 19 HB ILE 19 -4.738 17.174 7.405
113 HG2 ILE 19 HG2 ILE 19 -6.763 18.341 6.837
114 HG2 ILE 19 HG2 ILE 19 -7.683 16.828 6.711
115 HG2 ILE 19 HG2 ILE 19 -7.073 17.367 8.286
116 HG1 ILE 19 HG1 ILE 19 -4.768 14.557 7.272
117 HG1 ILE 19 HG1 ILE 19 -5.126 15.396 8.752
118 HD1 ILE 19 HD1 ILE 19 -7.492 14.962 8.559
119 HD1 ILE 19 HD1 ILE 19 -7.274 14.256 6.942
120 HD1 ILE 19 HD1 ILE 19 -6.585 13.457 8.362
121 H GLN 20 H GLN 20 -3.350 18.026 5.730
122 HA GLN 20 HA GLN 20 -1.450 16.536 4.179
123 1HB GLN 20 HB2 GLN 20 -0.110 18.633 4.336
124 2HB GLN 20 HB3 GLN 20 -1.756 18.906 3.755
125 1HG GLN 20 HG2 GLN 20 -2.438 19.707 6.004
126 2HG GLN 20 HG3 GLN 20 -0.825 19.362 6.621
127 HE2 GLN 20 HE2 GLN 20 -0.726 20.776 3.428
128 HE2 GLN 20 HE2 GLN 20 -0.370 22.395 4.032
129 H GLU 21 H GLU 21 0.540 15.951 4.694
130 HA GLU 21 HA GLU 21 0.801 14.366 7.003
131 1HB GLU 21 HB2 GLU 21 1.766 13.823 4.898
132 2HB GLU 21 HB3 GLU 21 2.792 15.256 4.882
133 1HG GLU 21 HG2 GLU 21 4.312 14.367 6.379
134 2HG GLU 21 HG3 GLU 21 3.158 13.304 7.140
135 H ARG 22 H ARG 22 1.577 17.758 6.911
136 HA ARG 22 HA ARG 22 3.440 17.898 9.073
137 1HB ARG 22 HB2 ARG 22 2.984 19.852 7.868
138 2HB ARG 22 HB3 ARG 22 1.239 19.606 7.879
139 1HG ARG 22 HG2 ARG 22 1.099 20.141 10.265
140 2HG ARG 22 HG3 ARG 22 2.881 20.265 10.347
141 1HD ARG 22 HD2 ARG 22 2.187 22.459 10.154
142 2HD ARG 22 HD3 ARG 22 2.749 22.065 8.546
143 HE ARG 22 HE ARG 22 0.511 22.164 7.722
144 HH1 ARG 22 HH1 ARG 22 -1.354 23.064 7.659
145 HH1 ARG 22 HH1 ARG 22 -2.190 23.645 9.110
146 HH2 ARG 22 HH2 ARG 22 -1.220 23.263 11.151
147 HH2 ARG 22 HH2 ARG 22 0.364 22.549 11.211
148 H TRP 23 H TRP 23 0.019 16.936 8.984
149 HA TRP 23 HA TRP 23 -0.322 17.311 11.849
150 1HB TRP 23 HB2 TRP 23 -2.180 16.229 9.732
151 2HB TRP 23 HB3 TRP 23 -2.593 16.807 11.343
152 HD1 TRP 23 HD1 TRP 23 -0.492 19.135 9.180
153 HE1 TRP 23 HE1 TRP 23 -1.883 21.090 8.367
154 HE3 TRP 23 HE3 TRP 23 -5.101 17.508 10.597
155 HZ2 TRP 23 HZ2 TRP 23 -4.613 21.931 8.407
156 HZ3 TRP 23 HZ3 TRP 23 -7.092 18.936 10.261
157 HH2 TRP 23 HH2 TRP 23 -6.869 21.153 9.151
158 H LYS 24 H LYS 24 1.210 14.819 10.004
159 HA LYS 24 HA LYS 24 0.248 12.605 11.620
160 1HB LYS 24 HB2 LYS 24 2.474 12.977 9.546
161 2HB LYS 24 HB3 LYS 24 2.103 11.452 10.309
162 1HG LYS 24 HG2 LYS 24 -0.179 11.463 9.315
163 2HG LYS 24 HG3 LYS 24 0.123 13.055 8.678
164 1HD LYS 24 HD2 LYS 24 1.112 12.258 6.857
165 2HD LYS 24 HD3 LYS 24 2.270 11.320 7.799
166 1HE LYS 24 HE2 LYS 24 0.881 9.405 7.776
167 2HE LYS 24 HE3 LYS 24 -0.511 10.309 7.137
168 1HZ LYS 24 HZ1 LYS 24 0.436 10.433 5.051
169 2HZ LYS 24 HZ2 LYS 24 1.969 10.427 5.589
170 3HZ LYS 24 HZ3 LYS 24 1.110 9.002 5.515
171 H CYS 25 H CYS 25 0.755 12.867 13.710
172 HA CYS 25 HA CYS 25 1.813 13.380 15.573
173 1HB CYS 25 HB2 CYS 25 4.152 12.859 15.926
174 2HB CYS 25 HB3 CYS 25 3.103 11.535 15.449
175 H ASP 26 H ASP 26 1.104 15.503 14.403
176 HA ASP 26 HA ASP 26 3.158 17.409 15.355
177 1HB ASP 26 HB2 ASP 26 1.163 18.984 15.271
178 2HB ASP 26 HB3 ASP 26 1.547 18.309 13.668
179 H GLY 27 H GLY 27 0.250 15.554 16.380
180 1HA GLY 27 HA1 GLY 27 0.197 14.999 18.801
181 2HA GLY 27 HA2 GLY 27 0.518 16.690 19.146
182 H ASP 28 H ASP 28 -1.587 17.354 16.721
183 HA ASP 28 HA ASP 28 -3.915 17.243 18.532
184 1HB ASP 28 HB2 ASP 28 -3.484 18.523 15.810
185 2HB ASP 28 HB3 ASP 28 -5.073 18.305 16.507
186 H ASN 29 H ASN 29 -5.662 16.117 18.348
187 HA ASN 29 HA ASN 29 -5.648 13.472 17.565
188 1HB ASN 29 HB2 ASN 29 -8.160 15.199 17.630
189 2HB ASN 29 HB3 ASN 29 -8.037 13.512 17.985
190 HD2 ASN 29 HD2 ASN 29 -6.267 13.031 19.915
191 HD2 ASN 29 HD2 ASN 29 -6.515 14.151 21.275
192 H ASP 30 H ASP 30 -5.230 15.149 15.013
193 HA ASP 30 HA ASP 30 -7.319 16.683 14.537
194 1HB ASP 30 HB2 ASP 30 -6.051 17.343 12.623
195 2HB ASP 30 HB3 ASP 30 -4.904 16.822 13.857
196 H CYS 31 H CYS 31 -6.915 13.583 13.385
197 HA CYS 31 HA CYS 31 -8.998 13.248 11.556
198 1HB CYS 31 HB2 CYS 31 -7.006 11.886 11.785
199 2HB CYS 31 HB3 CYS 31 -7.415 11.472 13.441
200 H LEU 32 H LEU 32 -9.235 13.529 14.926
201 HA LEU 32 HA LEU 32 -10.865 13.401 16.451
202 1HB LEU 32 HB2 LEU 32 -12.807 14.252 15.897
203 2HB LEU 32 HB3 LEU 32 -12.205 14.268 14.254
204 HG LEU 32 HG LEU 32 -13.310 11.895 14.025
205 HD1 LEU 32 HD1 LEU 32 -15.376 11.659 15.353
206 HD1 LEU 32 HD1 LEU 32 -13.982 11.611 16.427
207 HD1 LEU 32 HD1 LEU 32 -14.948 13.091 16.318
208 HD2 LEU 32 HD2 LEU 32 -14.011 13.913 12.819
209 HD2 LEU 32 HD2 LEU 32 -15.430 13.010 13.380
210 HD2 LEU 32 HD2 LEU 32 -14.918 14.478 14.239
211 H ASP 33 H ASP 33 -10.789 10.835 14.130
212 HA ASP 33 HA ASP 33 -11.442 8.659 16.018
213 1HB ASP 33 HB2 ASP 33 -11.893 7.965 13.883
214 2HB ASP 33 HB3 ASP 33 -10.681 8.988 13.152
215 H ASN 34 H ASN 34 -8.874 10.805 15.379
216 HA ASN 34 HA ASN 34 -6.726 10.997 15.966
217 1HB ASN 34 HB2 ASN 34 -7.938 10.981 18.160
218 2HB ASN 34 HB3 ASN 34 -7.637 9.258 18.312
219 HD2 ASN 34 HD2 ASN 34 -5.184 8.717 18.076
220 HD2 ASN 34 HD2 ASN 34 -4.140 9.690 19.147
221 H SER 35 H SER 35 -6.409 9.731 13.924
222 HA SER 35 HA SER 35 -5.450 6.990 14.298
223 1HB SER 35 HB2 SER 35 -6.009 8.766 11.904
224 2HB SER 35 HB3 SER 35 -4.889 7.418 11.731
225 HG SER 35 HG SER 35 -7.633 7.118 12.697
226 H ASP 36 H ASP 36 -4.284 10.089 13.176
227 HA ASP 36 HA ASP 36 -1.657 9.720 12.707
228 1HB ASP 36 HB2 ASP 36 -1.702 12.248 13.550
229 2HB ASP 36 HB3 ASP 36 -2.419 11.759 12.041
230 H GLU 37 H GLU 37 -3.018 11.045 15.555
231 HA GLU 37 HA GLU 37 -0.700 10.687 17.191
232 1HB GLU 37 HB2 GLU 37 -3.415 11.684 18.056
233 2HB GLU 37 HB3 GLU 37 -1.821 12.079 18.716
234 1HG GLU 37 HG2 GLU 37 -2.898 12.792 16.021
235 2HG GLU 37 HG3 GLU 37 -2.664 13.894 17.405
236 H ALA 38 H ALA 38 -2.501 8.105 16.288
237 HA ALA 38 HA ALA 38 -1.749 6.938 18.882
238 1HB ALA 38 HB1 ALA 38 -3.182 5.048 18.044
239 2HB ALA 38 HB2 ALA 38 -4.110 6.549 18.291
240 3HB ALA 38 HB3 ALA 38 -3.638 6.065 16.651
241 HA PRO 39 HA PRO 39 1.769 5.759 16.368
242 1HB PRO 39 HB2 PRO 39 2.901 3.782 17.888
243 2HB PRO 39 HB3 PRO 39 2.835 5.497 18.386
244 1HG PRO 39 HG2 PRO 39 0.895 3.280 19.135
245 2HG PRO 39 HG3 PRO 39 1.764 4.402 20.236
246 1HD PRO 39 HD2 PRO 39 -0.768 4.915 19.444
247 2HD PRO 39 HD3 PRO 39 0.428 6.242 19.560
248 H ALA 40 H ALA 40 -0.827 4.441 15.847
249 HA ALA 40 HA ALA 40 -0.078 2.037 14.256
250 1HB ALA 40 HB1 ALA 40 -2.625 3.731 14.352
251 2HB ALA 40 HB2 ALA 40 -2.382 2.271 13.369
252 3HB ALA 40 HB3 ALA 40 -2.395 2.151 15.140
253 H LEU 41 H LEU 41 -0.252 5.534 14.225
254 HA LEU 41 HA LEU 41 0.731 5.630 11.424
255 1HB LEU 41 HB2 LEU 41 -1.481 6.646 11.819
256 2HB LEU 41 HB3 LEU 41 -0.809 7.731 13.012
257 HG LEU 41 HG LEU 41 0.478 7.627 10.272
258 HD1 LEU 41 HD1 LEU 41 -2.134 9.083 10.756
259 HD1 LEU 41 HD1 LEU 41 -1.100 9.248 9.331
260 HD1 LEU 41 HD1 LEU 41 -1.871 7.697 9.686
261 HD2 LEU 41 HD2 LEU 41 0.506 9.496 12.540
262 HD2 LEU 41 HD2 LEU 41 1.631 9.296 11.189
263 HD2 LEU 41 HD2 LEU 41 0.161 10.284 11.037
264 H CYS 42 H CYS 42 0.865 8.121 14.162
265 HA CYS 42 HA CYS 42 3.730 7.283 14.420
266 1HB CYS 42 HB2 CYS 42 3.690 9.023 12.686
267 2HB CYS 42 HB3 CYS 42 2.770 10.072 13.742
268 H HIS 43 H HIS 43 1.366 9.678 15.631
269 HA HIS 43 HA HIS 43 1.378 10.999 17.354
270 1HB HIS 43 HB2 HIS 43 0.483 8.766 18.271
271 2HB HIS 43 HB3 HIS 43 2.028 8.591 19.076
272 HD1 HIS 43 HD1 HIS 43 0.433 12.120 18.830
273 HD2 HIS 43 HD2 HIS 43 1.012 8.903 21.542
274 HE1 HIS 43 HE1 HIS 43 -0.139 12.980 21.174
275 H GLN 44 H GLN 44 4.226 8.959 18.205
276 HA GLN 44 HA GLN 44 5.396 11.380 19.484
277 1HB GLN 44 HB2 GLN 44 5.249 9.293 20.771
278 2HB GLN 44 HB3 GLN 44 6.368 8.507 19.644
279 1HG GLN 44 HG2 GLN 44 8.148 10.059 20.242
280 2HG GLN 44 HG3 GLN 44 7.030 11.092 21.141
281 HE2 GLN 44 HE2 GLN 44 6.138 10.271 23.243
282 HE2 GLN 44 HE2 GLN 44 7.093 9.005 24.029
283 H HIS 45 H HIS 45 6.020 12.608 17.796
284 HA HIS 45 HA HIS 45 7.155 11.916 15.408
285 1HB HIS 45 HB2 HIS 45 6.320 14.185 16.352
286 2HB HIS 45 HB3 HIS 45 7.987 14.464 16.826
287 HD1 HIS 45 HD1 HIS 45 5.686 14.929 14.050
288 HD2 HIS 45 HD2 HIS 45 9.799 14.128 14.500
289 HE1 HIS 45 HE1 HIS 45 6.804 15.448 11.776
Start of MODEL 15
1 H GLY 1 H GLY 1 3.815 0.456 -3.174
2 1HA GLY 1 HA1 GLY 1 1.426 0.725 -3.501
3 2HA GLY 1 HA2 GLY 1 1.614 -0.462 -2.207
4 H SER 2 H SER 2 2.612 2.412 -0.916
5 HA SER 2 HA SER 2 0.422 2.764 0.841
6 1HB SER 2 HB2 SER 2 2.557 4.788 0.064
7 2HB SER 2 HB3 SER 2 1.535 4.849 1.514
8 HG SER 2 HG SER 2 2.477 2.789 2.092
9 HA PRO 3 HA PRO 3 -2.323 4.735 -1.993
10 1HB PRO 3 HB2 PRO 3 -4.357 5.567 -0.360
11 2HB PRO 3 HB3 PRO 3 -4.029 3.860 -0.770
12 1HG PRO 3 HG2 PRO 3 -3.141 5.378 1.704
13 2HG PRO 3 HG3 PRO 3 -3.936 3.773 1.613
14 1HD PRO 3 HD2 PRO 3 -1.240 4.015 1.849
15 2HD PRO 3 HD3 PRO 3 -1.961 2.738 0.820
16 HA PRO 4 HA PRO 4 -0.922 9.096 -1.593
17 1HB PRO 4 HB2 PRO 4 -1.171 9.842 -4.189
18 2HB PRO 4 HB3 PRO 4 -0.008 8.567 -3.719
19 1HG PRO 4 HG2 PRO 4 -2.827 8.161 -4.771
20 2HG PRO 4 HG3 PRO 4 -1.298 7.473 -5.417
21 1HD PRO 4 HD2 PRO 4 -2.861 6.111 -3.646
22 2HD PRO 4 HD3 PRO 4 -1.075 6.002 -3.595
23 H GLN 5 H GLN 5 -3.254 8.617 -0.433
24 HA GLN 5 HA GLN 5 -5.565 10.075 -1.417
25 1HB GLN 5 HB2 GLN 5 -4.576 8.958 1.207
26 2HB GLN 5 HB3 GLN 5 -6.067 9.937 1.166
27 1HG GLN 5 HG2 GLN 5 -7.104 8.396 -0.423
28 2HG GLN 5 HG3 GLN 5 -5.617 7.459 -0.556
29 HE2 GLN 5 HE2 GLN 5 -8.564 7.893 1.347
30 HE2 GLN 5 HE2 GLN 5 -8.081 6.642 2.503
31 H CYS 6 H CYS 6 -6.198 12.144 -1.002
32 HA CYS 6 HA CYS 6 -5.992 14.322 -1.043
33 1HB CYS 6 HB2 CYS 6 -4.470 13.856 1.335
34 2HB CYS 6 HB3 CYS 6 -3.581 14.995 0.364
35 H GLN 7 H GLN 7 -2.592 13.161 -0.880
36 HA GLN 7 HA GLN 7 -2.127 13.595 -3.724
37 1HB GLN 7 HB2 GLN 7 -0.306 15.089 -1.797
38 2HB GLN 7 HB3 GLN 7 -0.405 15.248 -3.529
39 1HG GLN 7 HG2 GLN 7 -2.633 16.335 -3.314
40 2HG GLN 7 HG3 GLN 7 -2.484 16.279 -1.558
41 HE2 GLN 7 HE2 GLN 7 -0.809 17.801 -0.469
42 HE2 GLN 7 HE2 GLN 7 -0.166 19.026 -1.572
43 HA PRO 8 HA PRO 8 0.876 10.367 -2.675
44 1HB PRO 8 HB2 PRO 8 2.987 10.713 -4.387
45 2HB PRO 8 HB3 PRO 8 1.380 10.144 -4.913
46 1HG PRO 8 HG2 PRO 8 2.442 12.984 -4.988
47 2HG PRO 8 HG3 PRO 8 1.669 12.055 -6.316
48 1HD PRO 8 HD2 PRO 8 0.245 13.783 -4.829
49 2HD PRO 8 HD3 PRO 8 -0.471 12.221 -5.305
50 H GLY 9 H GLY 9 0.960 11.411 -0.632
51 1HA GLY 9 HA1 GLY 9 3.180 11.273 0.848
52 2HA GLY 9 HA2 GLY 9 3.542 12.799 0.043
53 H GLU 10 H GLU 10 0.381 11.692 1.347
54 HA GLU 10 HA GLU 10 0.399 13.984 3.254
55 1HB GLU 10 HB2 GLU 10 -1.674 13.174 1.216
56 2HB GLU 10 HB3 GLU 10 -2.017 14.364 2.455
57 1HG GLU 10 HG2 GLU 10 0.211 14.632 0.372
58 2HG GLU 10 HG3 GLU 10 -1.430 15.206 0.202
59 H PHE 11 H PHE 11 -2.207 13.672 4.461
60 HA PHE 11 HA PHE 11 -1.970 11.064 5.638
61 1HB PHE 11 HB2 PHE 11 -1.175 12.632 7.094
62 2HB PHE 11 HB3 PHE 11 -2.451 13.775 6.813
63 HD1 PHE 11 HD1 PHE 11 -2.791 10.048 7.511
64 HD2 PHE 11 HD2 PHE 11 -3.257 14.060 9.059
65 HE1 PHE 11 HE1 PHE 11 -4.217 9.190 9.314
66 HE2 PHE 11 HE2 PHE 11 -4.670 13.166 10.860
67 HZ PHE 11 HZ PHE 11 -5.210 10.769 10.960
68 H ALA 12 H ALA 12 -3.432 9.725 5.435
69 HA ALA 12 HA ALA 12 -6.258 10.393 4.872
70 1HB ALA 12 HB1 ALA 12 -6.436 8.015 4.285
71 2HB ALA 12 HB2 ALA 12 -5.130 8.798 3.373
72 3HB ALA 12 HB3 ALA 12 -4.743 7.751 4.750
73 H CYS 13 H CYS 13 -7.381 10.737 6.650
74 HA CYS 13 HA CYS 13 -6.935 9.423 9.242
75 1HB CYS 13 HB2 CYS 13 -7.555 11.794 9.049
76 2HB CYS 13 HB3 CYS 13 -8.985 11.323 8.138
77 H ALA 14 H ALA 14 -7.878 7.478 9.719
78 HA ALA 14 HA ALA 14 -9.853 6.185 8.172
79 1HB ALA 14 HB1 ALA 14 -9.142 5.770 11.095
80 2HB ALA 14 HB2 ALA 14 -9.957 4.617 10.030
81 3HB ALA 14 HB3 ALA 14 -8.272 5.077 9.712
82 H ASN 15 H ASN 15 -10.459 8.876 10.323
83 HA ASN 15 HA ASN 15 -13.272 8.196 10.767
84 1HB ASN 15 HB2 ASN 15 -12.182 9.888 12.195
85 2HB ASN 15 HB3 ASN 15 -11.930 10.949 10.817
86 HD2 ASN 15 HD2 ASN 15 -14.517 9.423 12.791
87 HD2 ASN 15 HD2 ASN 15 -15.663 10.693 12.340
88 H SER 16 H SER 16 -11.428 9.513 8.159
89 HA SER 16 HA SER 16 -12.068 8.874 5.959
90 1HB SER 16 HB2 SER 16 -14.721 10.289 6.349
91 2HB SER 16 HB3 SER 16 -14.129 9.502 4.874
92 HG SER 16 HG SER 16 -14.713 8.368 7.376
93 H ARG 17 H ARG 17 -10.306 10.498 6.633
94 HA ARG 17 HA ARG 17 -10.914 13.121 5.239
95 1HB ARG 17 HB2 ARG 17 -9.147 13.338 7.607
96 2HB ARG 17 HB3 ARG 17 -10.192 14.521 6.900
97 1HG ARG 17 HG2 ARG 17 -11.100 12.170 8.632
98 2HG ARG 17 HG3 ARG 17 -10.759 13.783 9.214
99 1HD ARG 17 HD2 ARG 17 -13.088 12.892 7.500
100 2HD ARG 17 HD3 ARG 17 -13.097 13.515 9.126
101 HE ARG 17 HE ARG 17 -12.568 15.705 8.342
102 HH1 ARG 17 HH1 ARG 17 -13.170 17.324 6.959
103 HH1 ARG 17 HH1 ARG 17 -13.695 16.956 5.345
104 HH2 ARG 17 HH2 ARG 17 -13.838 14.848 4.631
105 HH2 ARG 17 HH2 ARG 17 -13.301 13.523 5.626
106 H CYS 18 H CYS 18 -9.633 14.085 3.861
107 HA CYS 18 HA CYS 18 -6.797 13.193 3.889
108 1HB CYS 18 HB2 CYS 18 -6.462 13.331 1.841
109 2HB CYS 18 HB3 CYS 18 -8.173 13.061 1.640
110 H ILE 19 H ILE 19 -5.495 14.313 4.902
111 HA ILE 19 HA ILE 19 -5.508 17.282 4.770
112 HB ILE 19 HB ILE 19 -4.632 17.191 7.206
113 HG2 ILE 19 HG2 ILE 19 -6.642 18.381 6.622
114 HG2 ILE 19 HG2 ILE 19 -7.602 16.889 6.647
115 HG2 ILE 19 HG2 ILE 19 -6.890 17.518 8.149
116 HG1 ILE 19 HG1 ILE 19 -4.687 14.591 7.183
117 HG1 ILE 19 HG1 ILE 19 -5.067 15.471 8.638
118 HD1 ILE 19 HD1 ILE 19 -7.435 15.067 8.401
119 HD1 ILE 19 HD1 ILE 19 -7.161 14.237 6.849
120 HD1 ILE 19 HD1 ILE 19 -6.510 13.562 8.348
121 H GLN 20 H GLN 20 -3.284 17.979 5.539
122 HA GLN 20 HA GLN 20 -1.441 16.397 3.969
123 1HB GLN 20 HB2 GLN 20 -0.095 18.531 4.003
124 2HB GLN 20 HB3 GLN 20 -1.730 18.720 3.360
125 1HG GLN 20 HG2 GLN 20 -2.505 19.753 5.431
126 2HG GLN 20 HG3 GLN 20 -0.989 19.364 6.240
127 HE2 GLN 20 HE2 GLN 20 -0.685 20.612 2.946
128 HE2 GLN 20 HE2 GLN 20 -0.205 22.218 3.501
129 H GLU 21 H GLU 21 0.651 16.035 4.446
130 HA GLU 21 HA GLU 21 1.004 14.521 6.767
131 1HB GLU 21 HB2 GLU 21 2.014 13.990 4.702
132 2HB GLU 21 HB3 GLU 21 2.923 15.500 4.625
133 1HG GLU 21 HG2 GLU 21 4.519 14.784 6.138
134 2HG GLU 21 HG3 GLU 21 3.470 13.624 6.911
135 H ARG 22 H ARG 22 1.629 17.856 6.522
136 HA ARG 22 HA ARG 22 3.363 18.358 8.766
137 1HB ARG 22 HB2 ARG 22 2.789 20.219 7.529
138 2HB ARG 22 HB3 ARG 22 1.091 19.781 7.424
139 1HG ARG 22 HG2 ARG 22 0.762 20.358 9.810
140 2HG ARG 22 HG3 ARG 22 2.470 20.849 9.929
141 1HD ARG 22 HD2 ARG 22 2.149 22.746 8.625
142 2HD ARG 22 HD3 ARG 22 0.845 22.010 7.700
143 HE ARG 22 HE ARG 22 0.505 22.848 10.548
144 HH1 ARG 22 HH1 ARG 22 -1.403 23.774 11.139
145 HH1 ARG 22 HH1 ARG 22 -2.622 24.121 9.956
146 HH2 ARG 22 HH2 ARG 22 -2.279 23.726 7.808
147 HH2 ARG 22 HH2 ARG 22 -0.877 22.864 7.239
148 H TRP 23 H TRP 23 0.081 17.000 8.729
149 HA TRP 23 HA TRP 23 -0.259 17.354 11.607
150 1HB TRP 23 HB2 TRP 23 -2.109 16.219 9.492
151 2HB TRP 23 HB3 TRP 23 -2.521 16.773 11.101
152 HD1 TRP 23 HD1 TRP 23 -0.586 19.026 8.625
153 HE1 TRP 23 HE1 TRP 23 -1.965 21.048 8.013
154 HE3 TRP 23 HE3 TRP 23 -5.012 17.616 10.677
155 HZ2 TRP 23 HZ2 TRP 23 -4.651 21.974 8.352
156 HZ3 TRP 23 HZ3 TRP 23 -6.995 19.076 10.510
157 HH2 TRP 23 HH2 TRP 23 -6.834 21.273 9.348
158 H LYS 24 H LYS 24 1.375 14.970 9.721
159 HA LYS 24 HA LYS 24 0.527 12.661 11.270
160 1HB LYS 24 HB2 LYS 24 2.752 13.223 9.242
161 2HB LYS 24 HB3 LYS 24 2.493 11.663 9.990
162 1HG LYS 24 HG2 LYS 24 0.207 11.536 8.973
163 2HG LYS 24 HG3 LYS 24 0.432 13.156 8.355
164 1HD LYS 24 HD2 LYS 24 1.376 12.399 6.508
165 2HD LYS 24 HD3 LYS 24 2.685 11.667 7.442
166 1HE LYS 24 HE2 LYS 24 1.609 9.569 7.508
167 2HE LYS 24 HE3 LYS 24 0.085 10.235 6.869
168 1HZ LYS 24 HZ1 LYS 24 0.989 10.508 4.788
169 2HZ LYS 24 HZ2 LYS 24 2.531 10.644 5.301
170 3HZ LYS 24 HZ3 LYS 24 1.808 9.139 5.232
171 H CYS 25 H CYS 25 1.062 12.699 13.336
172 HA CYS 25 HA CYS 25 2.060 13.272 15.233
173 1HB CYS 25 HB2 CYS 25 4.321 12.676 15.627
174 2HB CYS 25 HB3 CYS 25 3.318 11.385 14.986
175 H ASP 26 H ASP 26 1.412 15.453 14.160
176 HA ASP 26 HA ASP 26 3.457 17.279 15.249
177 1HB ASP 26 HB2 ASP 26 1.312 18.725 15.597
178 2HB ASP 26 HB3 ASP 26 1.903 18.523 13.938
179 H GLY 27 H GLY 27 0.956 14.958 16.240
180 1HA GLY 27 HA1 GLY 27 0.784 14.176 18.503
181 2HA GLY 27 HA2 GLY 27 1.431 15.695 19.100
182 H ASP 28 H ASP 28 -0.961 16.019 16.470
183 HA ASP 28 HA ASP 28 -3.002 16.539 18.591
184 1HB ASP 28 HB2 ASP 28 -2.335 18.649 17.540
185 2HB ASP 28 HB3 ASP 28 -2.904 18.031 15.980
186 H ASN 29 H ASN 29 -4.906 15.928 18.444
187 HA ASN 29 HA ASN 29 -5.663 13.430 17.622
188 1HB ASN 29 HB2 ASN 29 -7.577 15.818 17.648
189 2HB ASN 29 HB3 ASN 29 -7.956 14.164 17.958
190 HD2 ASN 29 HD2 ASN 29 -6.099 16.989 19.403
191 HD2 ASN 29 HD2 ASN 29 -6.253 16.270 21.016
192 H ASP 30 H ASP 30 -5.884 16.296 15.887
193 HA ASP 30 HA ASP 30 -7.040 17.218 14.192
194 1HB ASP 30 HB2 ASP 30 -5.330 17.498 12.835
195 2HB ASP 30 HB3 ASP 30 -4.483 16.616 14.066
196 H CYS 31 H CYS 31 -6.653 13.918 13.628
197 HA CYS 31 HA CYS 31 -8.717 13.574 11.699
198 1HB CYS 31 HB2 CYS 31 -6.649 12.287 11.693
199 2HB CYS 31 HB3 CYS 31 -6.888 11.795 13.360
200 H LEU 32 H LEU 32 -8.610 13.438 15.139
201 HA LEU 32 HA LEU 32 -10.193 13.215 16.748
202 1HB LEU 32 HB2 LEU 32 -12.143 14.168 16.312
203 2HB LEU 32 HB3 LEU 32 -11.606 14.278 14.655
204 HG LEU 32 HG LEU 32 -12.746 11.851 14.437
205 HD1 LEU 32 HD1 LEU 32 -14.818 11.737 15.740
206 HD1 LEU 32 HD1 LEU 32 -13.446 11.751 16.851
207 HD1 LEU 32 HD1 LEU 32 -14.394 13.227 16.612
208 HD2 LEU 32 HD2 LEU 32 -14.781 12.993 13.662
209 HD2 LEU 32 HD2 LEU 32 -14.246 14.495 14.453
210 HD2 LEU 32 HD2 LEU 32 -13.316 13.803 13.100
211 H ASP 33 H ASP 33 -10.181 10.880 14.238
212 HA ASP 33 HA ASP 33 -10.772 8.559 15.992
213 1HB ASP 33 HB2 ASP 33 -11.444 8.104 13.827
214 2HB ASP 33 HB3 ASP 33 -10.210 9.102 13.094
215 H ASN 34 H ASN 34 -8.276 10.766 15.397
216 HA ASN 34 HA ASN 34 -6.044 10.887 15.657
217 1HB ASN 34 HB2 ASN 34 -6.721 9.077 18.019
218 2HB ASN 34 HB3 ASN 34 -5.231 9.998 17.838
219 HD2 ASN 34 HD2 ASN 34 -5.489 11.281 19.717
220 HD2 ASN 34 HD2 ASN 34 -6.798 12.475 19.810
221 H SER 35 H SER 35 -6.064 9.577 13.549
222 HA SER 35 HA SER 35 -5.147 6.813 13.729
223 1HB SER 35 HB2 SER 35 -5.638 8.791 11.473
224 2HB SER 35 HB3 SER 35 -4.656 7.365 11.178
225 HG SER 35 HG SER 35 -7.370 7.181 12.239
226 H ASP 36 H ASP 36 -3.935 9.916 12.775
227 HA ASP 36 HA ASP 36 -1.317 9.596 12.201
228 1HB ASP 36 HB2 ASP 36 -1.343 12.067 13.221
229 2HB ASP 36 HB3 ASP 36 -2.118 11.690 11.709
230 H GLU 37 H GLU 37 -2.679 10.672 15.184
231 HA GLU 37 HA GLU 37 -0.279 10.259 16.657
232 1HB GLU 37 HB2 GLU 37 -2.926 11.138 17.789
233 2HB GLU 37 HB3 GLU 37 -1.272 11.498 18.346
234 1HG GLU 37 HG2 GLU 37 -2.536 12.412 15.773
235 2HG GLU 37 HG3 GLU 37 -2.270 13.401 17.217
236 H ALA 38 H ALA 38 -2.079 7.704 15.691
237 HA ALA 38 HA ALA 38 -1.207 6.341 18.148
238 1HB ALA 38 HB1 ALA 38 -3.585 5.989 17.575
239 2HB ALA 38 HB2 ALA 38 -3.139 5.621 15.899
240 3HB ALA 38 HB3 ALA 38 -2.648 4.515 17.211
241 HA PRO 39 HA PRO 39 2.238 5.443 15.431
242 1HB PRO 39 HB2 PRO 39 3.481 3.399 16.754
243 2HB PRO 39 HB3 PRO 39 3.373 5.062 17.393
244 1HG PRO 39 HG2 PRO 39 1.534 2.725 18.015
245 2HG PRO 39 HG3 PRO 39 2.402 3.784 19.178
246 1HD PRO 39 HD2 PRO 39 -0.175 4.265 18.498
247 2HD PRO 39 HD3 PRO 39 0.979 5.617 18.707
248 H ALA 40 H ALA 40 -0.344 4.108 14.865
249 HA ALA 40 HA ALA 40 0.434 1.872 13.068
250 1HB ALA 40 HB1 ALA 40 -1.888 2.133 12.238
251 2HB ALA 40 HB2 ALA 40 -1.871 1.855 13.991
252 3HB ALA 40 HB3 ALA 40 -2.146 3.493 13.353
253 H LEU 41 H LEU 41 0.198 5.358 13.364
254 HA LEU 41 HA LEU 41 1.165 5.702 10.583
255 1HB LEU 41 HB2 LEU 41 -1.103 6.632 11.145
256 2HB LEU 41 HB3 LEU 41 -0.345 7.731 12.281
257 HG LEU 41 HG LEU 41 0.835 7.626 9.519
258 HD1 LEU 41 HD1 LEU 41 -1.840 8.926 10.047
259 HD1 LEU 41 HD1 LEU 41 -0.857 9.150 8.585
260 HD1 LEU 41 HD1 LEU 41 -1.532 7.553 8.964
261 HD2 LEU 41 HD2 LEU 41 1.457 9.738 9.755
262 HD2 LEU 41 HD2 LEU 41 0.114 10.209 10.814
263 HD2 LEU 41 HD2 LEU 41 1.483 9.302 11.447
264 H CYS 42 H CYS 42 1.251 7.995 13.505
265 HA CYS 42 HA CYS 42 4.146 7.299 13.612
266 1HB CYS 42 HB2 CYS 42 3.956 9.166 12.054
267 2HB CYS 42 HB3 CYS 42 3.041 10.083 13.240
268 H HIS 43 H HIS 43 1.730 9.455 15.211
269 HA HIS 43 HA HIS 43 1.586 10.278 17.291
270 1HB HIS 43 HB2 HIS 43 1.104 7.914 17.852
271 2HB HIS 43 HB3 HIS 43 2.811 7.614 18.130
272 HD1 HIS 43 HD1 HIS 43 -0.163 9.186 19.807
273 HD2 HIS 43 HD2 HIS 43 3.976 8.657 20.331
274 HE1 HIS 43 HE1 HIS 43 0.373 9.881 22.248
275 H GLN 44 H GLN 44 2.532 11.969 17.997
276 HA GLN 44 HA GLN 44 5.053 11.525 19.464
277 1HB GLN 44 HB2 GLN 44 4.615 13.864 17.571
278 2HB GLN 44 HB3 GLN 44 5.693 13.973 18.961
279 1HG GLN 44 HG2 GLN 44 6.958 11.985 18.164
280 2HG GLN 44 HG3 GLN 44 6.006 11.963 16.690
281 HE2 GLN 44 HE2 GLN 44 5.964 14.568 15.629
282 HE2 GLN 44 HE2 GLN 44 7.647 15.099 15.614
283 H HIS 45 H HIS 45 5.356 13.200 21.186
284 HA HIS 45 HA HIS 45 2.910 14.498 22.166
285 1HB HIS 45 HB2 HIS 45 3.195 13.368 24.405
286 2HB HIS 45 HB3 HIS 45 2.562 12.362 23.112
287 HD1 HIS 45 HD1 HIS 45 3.727 10.105 22.759
288 HD2 HIS 45 HD2 HIS 45 6.022 12.914 24.914
289 HE1 HIS 45 HE1 HIS 45 5.835 8.882 23.575
Start of MODEL 16
1 H GLY 1 H GLY 1 0.297 -1.173 2.576
2 1HA GLY 1 HA1 GLY 1 0.727 -0.549 0.216
3 2HA GLY 1 HA2 GLY 1 -0.922 -0.098 0.662
4 H SER 2 H SER 2 1.142 1.877 2.286
5 HA SER 2 HA SER 2 1.275 4.218 2.277
6 1HB SER 2 HB2 SER 2 2.971 3.318 -0.070
7 2HB SER 2 HB3 SER 2 3.147 4.867 0.780
8 HG SER 2 HG SER 2 3.723 3.777 2.630
9 HA PRO 3 HA PRO 3 -1.671 4.828 -1.297
10 1HB PRO 3 HB2 PRO 3 -3.936 5.687 -0.028
11 2HB PRO 3 HB3 PRO 3 -3.478 3.969 -0.204
12 1HG PRO 3 HG2 PRO 3 -2.984 5.782 2.182
13 2HG PRO 3 HG3 PRO 3 -3.697 4.137 2.170
14 1HD PRO 3 HD2 PRO 3 -1.062 4.534 2.705
15 2HD PRO 3 HD3 PRO 3 -1.610 3.131 1.739
16 HA PRO 4 HA PRO 4 -0.572 9.281 -1.169
17 1HB PRO 4 HB2 PRO 4 -0.646 9.806 -3.836
18 2HB PRO 4 HB3 PRO 4 0.554 8.664 -3.162
19 1HG PRO 4 HG2 PRO 4 -2.128 7.969 -4.404
20 2HG PRO 4 HG3 PRO 4 -0.507 7.339 -4.853
21 1HD PRO 4 HD2 PRO 4 -2.134 6.019 -3.111
22 2HD PRO 4 HD3 PRO 4 -0.358 6.047 -2.888
23 H GLN 5 H GLN 5 -2.977 8.742 -0.180
24 HA GLN 5 HA GLN 5 -5.239 10.085 -1.433
25 1HB GLN 5 HB2 GLN 5 -4.456 9.123 1.324
26 2HB GLN 5 HB3 GLN 5 -5.962 10.051 1.095
27 1HG GLN 5 HG2 GLN 5 -6.797 8.397 -0.512
28 2HG GLN 5 HG3 GLN 5 -5.287 7.491 -0.425
29 HE2 GLN 5 HE2 GLN 5 -8.340 8.220 1.325
30 HE2 GLN 5 HE2 GLN 5 -8.018 6.938 2.503
31 H CYS 6 H CYS 6 -6.004 12.156 -1.032
32 HA CYS 6 HA CYS 6 -5.870 14.336 -1.090
33 1HB CYS 6 HB2 CYS 6 -4.341 13.932 1.318
34 2HB CYS 6 HB3 CYS 6 -3.558 15.162 0.365
35 H GLN 7 H GLN 7 -2.426 13.336 -0.810
36 HA GLN 7 HA GLN 7 -1.874 13.790 -3.635
37 1HB GLN 7 HB2 GLN 7 -0.205 15.387 -1.655
38 2HB GLN 7 HB3 GLN 7 -0.265 15.538 -3.389
39 1HG GLN 7 HG2 GLN 7 -2.550 16.500 -3.242
40 2HG GLN 7 HG3 GLN 7 -2.451 16.446 -1.478
41 HE2 GLN 7 HE2 GLN 7 -0.791 17.977 -0.359
42 HE2 GLN 7 HE2 GLN 7 -0.243 19.289 -1.416
43 HA PRO 8 HA PRO 8 1.187 10.698 -2.480
44 1HB PRO 8 HB2 PRO 8 3.329 11.069 -4.140
45 2HB PRO 8 HB3 PRO 8 1.739 10.485 -4.703
46 1HG PRO 8 HG2 PRO 8 2.774 13.337 -4.747
47 2HG PRO 8 HG3 PRO 8 2.045 12.406 -6.096
48 1HD PRO 8 HD2 PRO 8 0.573 14.113 -4.629
49 2HD PRO 8 HD3 PRO 8 -0.121 12.554 -5.145
50 H GLY 9 H GLY 9 1.210 11.716 -0.433
51 1HA GLY 9 HA1 GLY 9 3.426 11.553 1.064
52 2HA GLY 9 HA2 GLY 9 3.746 13.128 0.337
53 H GLU 10 H GLU 10 0.592 11.865 1.509
54 HA GLU 10 HA GLU 10 0.447 14.117 3.459
55 1HB GLU 10 HB2 GLU 10 -1.533 13.204 1.377
56 2HB GLU 10 HB3 GLU 10 -1.933 14.417 2.575
57 1HG GLU 10 HG2 GLU 10 0.303 14.687 0.493
58 2HG GLU 10 HG3 GLU 10 -1.347 15.233 0.308
59 H PHE 11 H PHE 11 -2.180 13.656 4.565
60 HA PHE 11 HA PHE 11 -1.860 11.066 5.773
61 1HB PHE 11 HB2 PHE 11 -1.158 12.661 7.225
62 2HB PHE 11 HB3 PHE 11 -2.441 13.776 6.881
63 HD1 PHE 11 HD1 PHE 11 -2.824 10.094 7.751
64 HD2 PHE 11 HD2 PHE 11 -3.214 14.193 9.072
65 HE1 PHE 11 HE1 PHE 11 -4.267 9.371 9.593
66 HE2 PHE 11 HE2 PHE 11 -4.658 13.457 10.912
67 HZ PHE 11 HZ PHE 11 -5.242 11.068 11.156
68 H ALA 12 H ALA 12 -3.265 9.670 5.575
69 HA ALA 12 HA ALA 12 -6.092 10.218 4.908
70 1HB ALA 12 HB1 ALA 12 -4.862 8.598 3.514
71 2HB ALA 12 HB2 ALA 12 -4.486 7.627 4.951
72 3HB ALA 12 HB3 ALA 12 -6.169 7.810 4.420
73 H CYS 13 H CYS 13 -7.313 10.557 6.622
74 HA CYS 13 HA CYS 13 -6.915 9.430 9.296
75 1HB CYS 13 HB2 CYS 13 -7.697 11.736 8.916
76 2HB CYS 13 HB3 CYS 13 -9.037 11.101 7.967
77 H ALA 14 H ALA 14 -7.773 7.484 9.885
78 HA ALA 14 HA ALA 14 -9.562 5.951 8.301
79 1HB ALA 14 HB1 ALA 14 -9.689 4.484 10.231
80 2HB ALA 14 HB2 ALA 14 -8.019 5.040 10.000
81 3HB ALA 14 HB3 ALA 14 -9.027 5.744 11.282
82 H ASN 15 H ASN 15 -10.477 8.716 10.233
83 HA ASN 15 HA ASN 15 -13.266 7.881 10.541
84 1HB ASN 15 HB2 ASN 15 -12.402 9.724 11.921
85 2HB ASN 15 HB3 ASN 15 -12.090 10.709 10.501
86 HD2 ASN 15 HD2 ASN 15 -14.747 9.183 12.375
87 HD2 ASN 15 HD2 ASN 15 -15.917 10.349 11.740
88 H SER 16 H SER 16 -11.340 9.134 7.967
89 HA SER 16 HA SER 16 -11.807 8.326 5.775
90 1HB SER 16 HB2 SER 16 -14.543 9.628 5.925
91 2HB SER 16 HB3 SER 16 -13.830 8.786 4.536
92 HG SER 16 HG SER 16 -14.510 7.774 7.065
93 H ARG 17 H ARG 17 -10.194 10.135 6.498
94 HA ARG 17 HA ARG 17 -10.897 12.643 4.944
95 1HB ARG 17 HB2 ARG 17 -9.342 13.096 7.437
96 2HB ARG 17 HB3 ARG 17 -10.354 14.180 6.552
97 1HG ARG 17 HG2 ARG 17 -11.338 11.904 8.338
98 2HG ARG 17 HG3 ARG 17 -11.188 13.585 8.803
99 1HD ARG 17 HD2 ARG 17 -13.199 12.378 6.888
100 2HD ARG 17 HD3 ARG 17 -13.476 13.146 8.426
101 HE ARG 17 HE ARG 17 -12.983 15.286 7.498
102 HH1 ARG 17 HH1 ARG 17 -13.387 16.737 5.871
103 HH1 ARG 17 HH1 ARG 17 -13.631 16.184 4.244
104 HH2 ARG 17 HH2 ARG 17 -13.598 14.026 3.739
105 HH2 ARG 17 HH2 ARG 17 -13.205 12.822 4.933
106 H CYS 18 H CYS 18 -9.593 13.729 3.670
107 HA CYS 18 HA CYS 18 -6.717 12.979 3.837
108 1HB CYS 18 HB2 CYS 18 -6.305 13.215 1.798
109 2HB CYS 18 HB3 CYS 18 -7.970 12.807 1.529
110 H ILE 19 H ILE 19 -5.495 14.163 4.909
111 HA ILE 19 HA ILE 19 -5.644 17.131 4.738
112 HB ILE 19 HB ILE 19 -4.738 17.064 7.184
113 HG2 ILE 19 HG2 ILE 19 -6.981 17.405 8.129
114 HG2 ILE 19 HG2 ILE 19 -6.750 18.251 6.588
115 HG2 ILE 19 HG2 ILE 19 -7.708 16.758 6.637
116 HG1 ILE 19 HG1 ILE 19 -4.790 14.467 7.169
117 HG1 ILE 19 HG1 ILE 19 -5.180 15.352 8.615
118 HD1 ILE 19 HD1 ILE 19 -7.550 14.933 8.368
119 HD1 ILE 19 HD1 ILE 19 -7.265 14.089 6.825
120 HD1 ILE 19 HD1 ILE 19 -6.608 13.439 8.334
121 H GLN 20 H GLN 20 -3.488 17.969 5.351
122 HA GLN 20 HA GLN 20 -1.505 16.452 3.914
123 1HB GLN 20 HB2 GLN 20 -0.355 18.646 3.791
124 2HB GLN 20 HB3 GLN 20 -2.075 18.844 3.419
125 1HG GLN 20 HG2 GLN 20 -2.415 19.477 5.871
126 2HG GLN 20 HG3 GLN 20 -0.657 19.458 6.045
127 HE2 GLN 20 HE2 GLN 20 -0.950 20.811 3.032
128 HE2 GLN 20 HE2 GLN 20 -1.101 22.477 3.611
129 H GLU 21 H GLU 21 0.619 16.196 4.518
130 HA GLU 21 HA GLU 21 0.920 14.769 6.932
131 1HB GLU 21 HB2 GLU 21 2.042 14.197 4.941
132 2HB GLU 21 HB3 GLU 21 2.910 15.731 4.845
133 1HG GLU 21 HG2 GLU 21 4.436 15.124 6.490
134 2HG GLU 21 HG3 GLU 21 3.374 13.954 7.236
135 H ARG 22 H ARG 22 1.448 18.232 6.668
136 HA ARG 22 HA ARG 22 3.074 18.689 8.977
137 1HB ARG 22 HB2 ARG 22 2.457 20.681 8.029
138 2HB ARG 22 HB3 ARG 22 0.814 20.164 7.685
139 1HG ARG 22 HG2 ARG 22 0.371 20.148 10.170
140 2HG ARG 22 HG3 ARG 22 1.959 20.903 10.420
141 1HD ARG 22 HD2 ARG 22 1.084 22.938 9.738
142 2HD ARG 22 HD3 ARG 22 -0.022 22.160 8.607
143 HE ARG 22 HE ARG 22 -1.658 22.367 10.207
144 HH1 ARG 22 HH1 ARG 22 -2.809 21.373 11.952
145 HH1 ARG 22 HH1 ARG 22 -1.808 20.810 13.288
146 HH2 ARG 22 HH2 ARG 22 0.084 20.889 13.422
147 HH2 ARG 22 HH2 ARG 22 1.197 21.567 12.213
148 H TRP 23 H TRP 23 -0.213 17.288 8.717
149 HA TRP 23 HA TRP 23 -0.765 17.777 11.516
150 1HB TRP 23 HB2 TRP 23 -2.457 16.582 9.309
151 2HB TRP 23 HB3 TRP 23 -2.977 17.148 10.877
152 HD1 TRP 23 HD1 TRP 23 -0.928 19.176 8.299
153 HE1 TRP 23 HE1 TRP 23 -2.203 21.265 7.585
154 HE3 TRP 23 HE3 TRP 23 -5.259 18.286 10.754
155 HZ2 TRP 23 HZ2 TRP 23 -4.723 22.493 8.181
156 HZ3 TRP 23 HZ3 TRP 23 -7.132 19.906 10.648
157 HH2 TRP 23 HH2 TRP 23 -6.876 22.026 9.367
158 H LYS 24 H LYS 24 1.038 15.347 9.859
159 HA LYS 24 HA LYS 24 0.263 13.158 11.576
160 1HB LYS 24 HB2 LYS 24 2.546 13.630 9.600
161 2HB LYS 24 HB3 LYS 24 2.274 12.125 10.454
162 1HG LYS 24 HG2 LYS 24 0.121 11.789 9.327
163 2HG LYS 24 HG3 LYS 24 0.249 13.383 8.601
164 1HD LYS 24 HD2 LYS 24 1.469 12.685 6.904
165 2HD LYS 24 HD3 LYS 24 2.653 11.901 7.950
166 1HE LYS 24 HE2 LYS 24 1.495 9.839 7.874
167 2HE LYS 24 HE3 LYS 24 0.056 10.574 7.129
168 1HZ LYS 24 HZ1 LYS 24 1.912 9.419 5.649
169 2HZ LYS 24 HZ2 LYS 24 1.100 10.755 5.118
170 3HZ LYS 24 HZ3 LYS 24 2.600 10.935 5.733
171 H CYS 25 H CYS 25 1.252 12.789 13.479
172 HA CYS 25 HA CYS 25 2.573 13.042 15.325
173 1HB CYS 25 HB2 CYS 25 4.640 14.540 13.702
174 2HB CYS 25 HB3 CYS 25 4.883 13.660 15.190
175 H ASP 26 H ASP 26 0.723 15.330 14.366
176 HA ASP 26 HA ASP 26 2.107 17.809 15.202
177 1HB ASP 26 HB2 ASP 26 0.993 18.497 13.460
178 2HB ASP 26 HB3 ASP 26 0.093 17.041 13.312
179 H GLY 27 H GLY 27 0.257 15.325 16.582
180 1HA GLY 27 HA1 GLY 27 -0.456 15.071 18.755
181 2HA GLY 27 HA2 GLY 27 0.102 16.703 19.137
182 H ASP 28 H ASP 28 -1.999 17.179 16.481
183 HA ASP 28 HA ASP 28 -4.299 17.388 18.313
184 1HB ASP 28 HB2 ASP 28 -3.821 19.436 17.032
185 2HB ASP 28 HB3 ASP 28 -4.198 18.555 15.545
186 H ASN 29 H ASN 29 -5.907 16.310 18.175
187 HA ASN 29 HA ASN 29 -6.392 13.746 17.336
188 1HB ASN 29 HB2 ASN 29 -8.497 15.961 17.236
189 2HB ASN 29 HB3 ASN 29 -8.749 14.285 17.587
190 HD2 ASN 29 HD2 ASN 29 -7.339 17.363 18.893
191 HD2 ASN 29 HD2 ASN 29 -7.425 16.767 20.568
192 H ASP 30 H ASP 30 -6.934 16.648 15.676
193 HA ASP 30 HA ASP 30 -7.924 17.472 13.873
194 1HB ASP 30 HB2 ASP 30 -6.122 17.966 12.727
195 2HB ASP 30 HB3 ASP 30 -5.300 17.030 13.944
196 H CYS 31 H CYS 31 -7.120 14.264 13.273
197 HA CYS 31 HA CYS 31 -9.042 13.636 11.277
198 1HB CYS 31 HB2 CYS 31 -6.944 12.481 11.370
199 2HB CYS 31 HB3 CYS 31 -7.095 12.130 13.082
200 H LEU 32 H LEU 32 -9.162 13.795 14.697
201 HA LEU 32 HA LEU 32 -10.845 13.590 16.217
202 1HB LEU 32 HB2 LEU 32 -12.866 14.276 15.595
203 2HB LEU 32 HB3 LEU 32 -12.166 14.407 13.998
204 HG LEU 32 HG LEU 32 -13.056 11.862 13.772
205 HD1 LEU 32 HD1 LEU 32 -14.014 11.792 16.089
206 HD1 LEU 32 HD1 LEU 32 -15.043 13.175 15.682
207 HD1 LEU 32 HD1 LEU 32 -15.247 11.626 14.835
208 HD2 LEU 32 HD2 LEU 32 -13.628 13.703 12.283
209 HD2 LEU 32 HD2 LEU 32 -15.084 12.806 12.727
210 HD2 LEU 32 HD2 LEU 32 -14.747 14.376 13.494
211 H ASP 33 H ASP 33 -10.398 11.059 13.961
212 HA ASP 33 HA ASP 33 -11.091 8.871 15.847
213 1HB ASP 33 HB2 ASP 33 -11.617 8.194 13.716
214 2HB ASP 33 HB3 ASP 33 -10.408 9.199 12.953
215 H ASN 34 H ASN 34 -8.622 11.088 15.299
216 HA ASN 34 HA ASN 34 -6.412 11.295 15.690
217 1HB ASN 34 HB2 ASN 34 -7.072 9.421 18.009
218 2HB ASN 34 HB3 ASN 34 -5.624 10.413 17.876
219 HD2 ASN 34 HD2 ASN 34 -5.868 11.878 19.595
220 HD2 ASN 34 HD2 ASN 34 -7.325 12.894 19.716
221 H SER 35 H SER 35 -6.108 10.102 13.556
222 HA SER 35 HA SER 35 -5.398 7.268 13.822
223 1HB SER 35 HB2 SER 35 -5.825 9.140 11.487
224 2HB SER 35 HB3 SER 35 -4.773 7.749 11.279
225 HG SER 35 HG SER 35 -7.484 7.447 12.297
226 H ASP 36 H ASP 36 -3.967 10.389 12.749
227 HA ASP 36 HA ASP 36 -1.408 9.405 12.345
228 1HB ASP 36 HB2 ASP 36 -0.753 11.701 12.504
229 2HB ASP 36 HB3 ASP 36 -1.984 11.379 11.291
230 H GLU 37 H GLU 37 -2.828 11.244 14.980
231 HA GLU 37 HA GLU 37 -0.573 10.965 16.716
232 1HB GLU 37 HB2 GLU 37 -3.293 11.865 17.620
233 2HB GLU 37 HB3 GLU 37 -1.682 12.340 18.188
234 1HG GLU 37 HG2 GLU 37 -3.012 13.024 15.586
235 2HG GLU 37 HG3 GLU 37 -2.628 14.145 16.919
236 H ALA 38 H ALA 38 -2.349 8.286 15.853
237 HA ALA 38 HA ALA 38 -1.511 7.201 18.458
238 1HB ALA 38 HB1 ALA 38 -3.906 6.833 18.025
239 2HB ALA 38 HB2 ALA 38 -3.530 6.173 16.422
240 3HB ALA 38 HB3 ALA 38 -3.007 5.305 17.884
241 HA PRO 39 HA PRO 39 1.884 5.714 16.083
242 1HB PRO 39 HB2 PRO 39 2.865 3.695 17.629
243 2HB PRO 39 HB3 PRO 39 2.811 5.395 18.174
244 1HG PRO 39 HG2 PRO 39 0.766 3.214 18.731
245 2HG PRO 39 HG3 PRO 39 1.605 4.267 19.921
246 1HD PRO 39 HD2 PRO 39 -0.860 4.891 18.988
247 2HD PRO 39 HD3 PRO 39 0.367 6.164 19.254
248 H ALA 40 H ALA 40 -0.764 4.544 15.399
249 HA ALA 40 HA ALA 40 -0.014 2.143 13.819
250 1HB ALA 40 HB1 ALA 40 -2.195 2.561 12.719
251 2HB ALA 40 HB2 ALA 40 -2.392 2.404 14.475
252 3HB ALA 40 HB3 ALA 40 -2.434 4.013 13.716
253 H LEU 41 H LEU 41 0.069 5.654 13.883
254 HA LEU 41 HA LEU 41 1.395 5.728 11.223
255 1HB LEU 41 HB2 LEU 41 -0.944 6.662 11.412
256 2HB LEU 41 HB3 LEU 41 -0.322 7.823 12.561
257 HG LEU 41 HG LEU 41 0.968 7.557 9.839
258 HD1 LEU 41 HD1 LEU 41 -1.450 7.718 9.350
259 HD1 LEU 41 HD1 LEU 41 -1.530 9.238 10.255
260 HD1 LEU 41 HD1 LEU 41 -0.560 9.137 8.793
261 HD2 LEU 41 HD2 LEU 41 1.319 9.988 10.016
262 HD2 LEU 41 HD2 LEU 41 0.675 9.941 11.665
263 HD2 LEU 41 HD2 LEU 41 2.148 9.045 11.221
264 H CYS 42 H CYS 42 1.056 8.273 13.951
265 HA CYS 42 HA CYS 42 3.960 7.912 14.325
266 1HB CYS 42 HB2 CYS 42 3.455 9.763 12.799
267 2HB CYS 42 HB3 CYS 42 2.447 10.525 14.030
268 H HIS 43 H HIS 43 1.379 9.922 15.821
269 HA HIS 43 HA HIS 43 1.181 10.756 17.907
270 1HB HIS 43 HB2 HIS 43 0.577 8.368 18.402
271 2HB HIS 43 HB3 HIS 43 2.241 8.038 18.838
272 HD1 HIS 43 HD1 HIS 43 -0.847 9.722 20.161
273 HD2 HIS 43 HD2 HIS 43 3.158 8.996 21.209
274 HE1 HIS 43 HE1 HIS 43 -0.626 10.235 22.703
275 H GLN 44 H GLN 44 4.351 9.071 17.710
276 HA GLN 44 HA GLN 44 5.689 11.544 18.576
277 1HB GLN 44 HB2 GLN 44 6.968 10.441 20.342
278 2HB GLN 44 HB3 GLN 44 5.245 10.394 20.701
279 1HG GLN 44 HG2 GLN 44 5.159 8.016 19.895
280 2HG GLN 44 HG3 GLN 44 6.901 8.073 19.598
281 HE2 GLN 44 HE2 GLN 44 4.664 6.987 21.882
282 HE2 GLN 44 HE2 GLN 44 5.769 7.131 23.254
283 H HIS 45 H HIS 45 8.017 11.476 18.189
284 HA HIS 45 HA HIS 45 8.701 10.303 15.688
285 1HB HIS 45 HB2 HIS 45 9.600 12.420 16.839
286 2HB HIS 45 HB3 HIS 45 10.659 11.357 17.764
287 HD1 HIS 45 HD1 HIS 45 11.508 9.448 15.328
288 HD2 HIS 45 HD2 HIS 45 11.322 13.649 15.303
289 HE1 HIS 45 HE1 HIS 45 13.115 10.262 13.456
Start of MODEL 17
1 H GLY 1 H GLY 1 4.522 1.736 -4.023
2 1HA GLY 1 HA1 GLY 1 2.159 1.325 -4.358
3 2HA GLY 1 HA2 GLY 1 2.701 0.106 -3.199
4 H SER 2 H SER 2 2.821 3.029 -1.663
5 HA SER 2 HA SER 2 0.379 2.586 -0.081
6 1HB SER 2 HB2 SER 2 2.428 4.839 -0.078
7 2HB SER 2 HB3 SER 2 1.042 4.751 1.030
8 HG SER 2 HG SER 2 2.875 2.618 0.740
9 HA PRO 3 HA PRO 3 -2.229 4.971 -2.704
10 1HB PRO 3 HB2 PRO 3 -4.261 5.768 -1.001
11 2HB PRO 3 HB3 PRO 3 -4.039 4.101 -1.612
12 1HG PRO 3 HG2 PRO 3 -3.144 5.244 1.047
13 2HG PRO 3 HG3 PRO 3 -3.985 3.696 0.731
14 1HD PRO 3 HD2 PRO 3 -1.286 3.843 1.083
15 2HD PRO 3 HD3 PRO 3 -2.013 2.691 -0.078
16 HA PRO 4 HA PRO 4 -1.179 9.353 -2.083
17 1HB PRO 4 HB2 PRO 4 -2.551 10.489 -4.135
18 2HB PRO 4 HB3 PRO 4 -1.192 9.366 -4.433
19 1HG PRO 4 HG2 PRO 4 -4.151 8.706 -4.450
20 2HG PRO 4 HG3 PRO 4 -2.920 8.319 -5.693
21 1HD PRO 4 HD2 PRO 4 -3.660 6.541 -3.743
22 2HD PRO 4 HD3 PRO 4 -1.989 6.612 -4.379
23 H GLN 5 H GLN 5 -2.265 9.095 -0.037
24 HA GLN 5 HA GLN 5 -5.031 9.541 0.436
25 1HB GLN 5 HB2 GLN 5 -2.582 9.744 2.228
26 2HB GLN 5 HB3 GLN 5 -4.254 9.830 2.792
27 1HG GLN 5 HG2 GLN 5 -4.620 7.550 1.701
28 2HG GLN 5 HG3 GLN 5 -2.852 7.449 1.604
29 HE2 GLN 5 HE2 GLN 5 -4.899 5.843 3.291
30 HE2 GLN 5 HE2 GLN 5 -4.278 6.129 4.922
31 H CYS 6 H CYS 6 -4.924 11.460 -1.084
32 HA CYS 6 HA CYS 6 -6.207 13.533 -0.959
33 1HB CYS 6 HB2 CYS 6 -4.778 14.152 1.390
34 2HB CYS 6 HB3 CYS 6 -4.055 15.176 0.197
35 H GLN 7 H GLN 7 -2.689 13.272 -1.035
36 HA GLN 7 HA GLN 7 -2.598 13.719 -3.921
37 1HB GLN 7 HB2 GLN 7 -0.627 15.240 -2.188
38 2HB GLN 7 HB3 GLN 7 -1.032 15.481 -3.876
39 1HG GLN 7 HG2 GLN 7 -3.298 16.342 -3.165
40 2HG GLN 7 HG3 GLN 7 -2.748 16.277 -1.499
41 HE2 GLN 7 HE2 GLN 7 -1.029 17.810 -0.718
42 HE2 GLN 7 HE2 GLN 7 -0.699 19.170 -1.810
43 HA PRO 8 HA PRO 8 0.450 10.482 -3.299
44 1HB PRO 8 HB2 PRO 8 2.388 10.802 -5.186
45 2HB PRO 8 HB3 PRO 8 0.695 10.405 -5.587
46 1HG PRO 8 HG2 PRO 8 1.988 13.149 -5.571
47 2HG PRO 8 HG3 PRO 8 1.022 12.391 -6.879
48 1HD PRO 8 HD2 PRO 8 -0.077 14.109 -5.106
49 2HD PRO 8 HD3 PRO 8 -0.997 12.690 -5.683
50 H GLY 9 H GLY 9 0.729 11.605 -1.212
51 1HA GLY 9 HA1 GLY 9 3.130 11.271 0.024
52 2HA GLY 9 HA2 GLY 9 3.381 12.857 -0.710
53 H GLU 10 H GLU 10 0.460 11.477 0.890
54 HA GLU 10 HA GLU 10 0.453 13.728 2.833
55 1HB GLU 10 HB2 GLU 10 -1.716 12.884 0.877
56 2HB GLU 10 HB3 GLU 10 -2.025 14.030 2.169
57 1HG GLU 10 HG2 GLU 10 -0.016 14.424 -0.105
58 2HG GLU 10 HG3 GLU 10 -1.663 15.001 -0.031
59 H PHE 11 H PHE 11 -2.028 13.310 4.162
60 HA PHE 11 HA PHE 11 -1.800 10.471 5.081
61 1HB PHE 11 HB2 PHE 11 -0.761 11.686 6.703
62 2HB PHE 11 HB3 PHE 11 -1.661 13.153 6.431
63 HD1 PHE 11 HD1 PHE 11 -2.620 9.624 7.450
64 HD2 PHE 11 HD2 PHE 11 -2.738 13.859 8.319
65 HE1 PHE 11 HE1 PHE 11 -4.144 9.190 9.347
66 HE2 PHE 11 HE2 PHE 11 -4.274 13.395 10.207
67 HZ PHE 11 HZ PHE 11 -5.026 11.100 10.690
68 H ALA 12 H ALA 12 -3.838 9.437 5.369
69 HA ALA 12 HA ALA 12 -6.104 11.263 5.615
70 1HB ALA 12 HB1 ALA 12 -7.601 9.567 4.536
71 2HB ALA 12 HB2 ALA 12 -6.363 10.215 3.455
72 3HB ALA 12 HB3 ALA 12 -6.168 8.591 4.172
73 H CYS 13 H CYS 13 -7.651 10.864 6.897
74 HA CYS 13 HA CYS 13 -7.094 9.652 9.499
75 1HB CYS 13 HB2 CYS 13 -7.823 12.005 9.279
76 2HB CYS 13 HB3 CYS 13 -9.222 11.473 8.348
77 H ALA 14 H ALA 14 -8.013 7.752 10.132
78 HA ALA 14 HA ALA 14 -9.887 6.245 8.649
79 1HB ALA 14 HB1 ALA 14 -8.325 5.355 10.352
80 2HB ALA 14 HB2 ALA 14 -9.274 6.149 11.627
81 3HB ALA 14 HB3 ALA 14 -10.003 4.860 10.655
82 H ASN 15 H ASN 15 -10.633 9.058 10.615
83 HA ASN 15 HA ASN 15 -13.437 8.322 11.004
84 1HB ASN 15 HB2 ASN 15 -12.431 10.029 12.447
85 2HB ASN 15 HB3 ASN 15 -12.123 11.086 11.079
86 HD2 ASN 15 HD2 ASN 15 -14.816 9.557 12.914
87 HD2 ASN 15 HD2 ASN 15 -15.930 10.835 12.407
88 H SER 16 H SER 16 -11.566 9.533 8.381
89 HA SER 16 HA SER 16 -12.151 8.716 6.246
90 1HB SER 16 HB2 SER 16 -14.846 10.087 6.445
91 2HB SER 16 HB3 SER 16 -14.207 9.156 5.078
92 HG SER 16 HG SER 16 -14.822 8.295 7.678
93 H ARG 17 H ARG 17 -10.468 10.494 6.807
94 HA ARG 17 HA ARG 17 -11.148 12.968 5.163
95 1HB ARG 17 HB2 ARG 17 -9.480 13.452 7.593
96 2HB ARG 17 HB3 ARG 17 -10.530 14.540 6.746
97 1HG ARG 17 HG2 ARG 17 -11.424 12.326 8.656
98 2HG ARG 17 HG3 ARG 17 -11.229 14.017 9.057
99 1HD ARG 17 HD2 ARG 17 -13.372 12.787 7.301
100 2HD ARG 17 HD3 ARG 17 -13.543 13.578 8.842
101 HE ARG 17 HE ARG 17 -13.111 15.700 7.858
102 HH1 ARG 17 HH1 ARG 17 -13.565 17.134 6.230
103 HH1 ARG 17 HH1 ARG 17 -13.874 16.562 4.619
104 HH2 ARG 17 HH2 ARG 17 -13.872 14.401 4.137
105 HH2 ARG 17 HH2 ARG 17 -13.456 13.207 5.333
106 H CYS 18 H CYS 18 -9.765 13.914 3.735
107 HA CYS 18 HA CYS 18 -6.959 12.868 3.930
108 1HB CYS 18 HB2 CYS 18 -6.544 13.038 1.846
109 2HB CYS 18 HB3 CYS 18 -8.179 12.431 1.801
110 H ILE 19 H ILE 19 -5.441 14.012 4.710
111 HA ILE 19 HA ILE 19 -5.476 16.967 4.416
112 HB ILE 19 HB ILE 19 -4.554 17.050 6.825
113 HG2 ILE 19 HG2 ILE 19 -7.523 16.616 6.372
114 HG2 ILE 19 HG2 ILE 19 -6.786 17.392 7.787
115 HG2 ILE 19 HG2 ILE 19 -6.617 18.128 6.183
116 HG1 ILE 19 HG1 ILE 19 -4.554 14.439 6.943
117 HG1 ILE 19 HG1 ILE 19 -4.845 15.420 8.358
118 HD1 ILE 19 HD1 ILE 19 -6.313 13.444 8.231
119 HD1 ILE 19 HD1 ILE 19 -7.212 14.962 8.331
120 HD1 ILE 19 HD1 ILE 19 -7.079 14.104 6.780
121 H GLN 20 H GLN 20 -3.300 17.855 5.093
122 HA GLN 20 HA GLN 20 -1.357 16.322 3.639
123 1HB GLN 20 HB2 GLN 20 -0.037 18.430 3.656
124 2HB GLN 20 HB3 GLN 20 -1.666 18.650 3.038
125 1HG GLN 20 HG2 GLN 20 -0.965 19.257 5.947
126 2HG GLN 20 HG3 GLN 20 -0.708 20.429 4.654
127 HE2 GLN 20 HE2 GLN 20 -3.087 19.114 6.853
128 HE2 GLN 20 HE2 GLN 20 -4.428 19.977 6.088
129 H GLU 21 H GLU 21 0.677 15.892 4.121
130 HA GLU 21 HA GLU 21 1.177 14.371 6.384
131 1HB GLU 21 HB2 GLU 21 2.271 13.977 4.340
132 2HB GLU 21 HB3 GLU 21 3.002 15.583 4.281
133 1HG GLU 21 HG2 GLU 21 4.604 15.063 5.941
134 2HG GLU 21 HG3 GLU 21 3.735 13.635 6.486
135 H ARG 22 H ARG 22 1.684 17.872 6.382
136 HA ARG 22 HA ARG 22 3.456 18.112 8.637
137 1HB ARG 22 HB2 ARG 22 2.889 20.180 7.813
138 2HB ARG 22 HB3 ARG 22 1.191 19.769 7.581
139 1HG ARG 22 HG2 ARG 22 0.857 19.727 10.030
140 2HG ARG 22 HG3 ARG 22 2.555 20.190 10.286
141 1HD ARG 22 HD2 ARG 22 2.120 22.377 9.686
142 2HD ARG 22 HD3 ARG 22 0.798 21.910 8.627
143 HE ARG 22 HE ARG 22 -0.428 22.794 10.418
144 HH1 ARG 22 HH1 ARG 22 -1.886 22.325 12.123
145 HH1 ARG 22 HH1 ARG 22 -1.332 21.224 13.366
146 HH2 ARG 22 HH2 ARG 22 0.239 19.894 12.943
147 HH2 ARG 22 HH2 ARG 22 1.599 20.342 11.972
148 H TRP 23 H TRP 23 0.143 16.858 8.415
149 HA TRP 23 HA TRP 23 -0.319 17.068 11.255
150 1HB TRP 23 HB2 TRP 23 -1.978 16.017 8.931
151 2HB TRP 23 HB3 TRP 23 -2.546 16.309 10.553
152 HD1 TRP 23 HD1 TRP 23 -0.507 18.908 8.558
153 HE1 TRP 23 HE1 TRP 23 -1.803 21.084 8.408
154 HE3 TRP 23 HE3 TRP 23 -5.054 17.215 10.000
155 HZ2 TRP 23 HZ2 TRP 23 -4.448 22.018 8.933
156 HZ3 TRP 23 HZ3 TRP 23 -6.988 18.749 10.121
157 HH2 TRP 23 HH2 TRP 23 -6.701 21.169 9.605
158 H LYS 24 H LYS 24 1.466 14.777 9.393
159 HA LYS 24 HA LYS 24 0.780 12.461 10.990
160 1HB LYS 24 HB2 LYS 24 2.987 13.125 8.944
161 2HB LYS 24 HB3 LYS 24 2.784 11.567 9.714
162 1HG LYS 24 HG2 LYS 24 0.518 11.357 8.716
163 2HG LYS 24 HG3 LYS 24 0.703 12.914 7.982
164 1HD LYS 24 HD2 LYS 24 1.135 10.737 6.555
165 2HD LYS 24 HD3 LYS 24 2.122 12.162 6.319
166 1HE LYS 24 HE2 LYS 24 3.886 11.146 7.765
167 2HE LYS 24 HE3 LYS 24 2.878 9.693 7.933
168 1HZ LYS 24 HZ1 LYS 24 4.494 9.456 6.131
169 2HZ LYS 24 HZ2 LYS 24 2.973 9.515 5.470
170 3HZ LYS 24 HZ3 LYS 24 3.958 10.824 5.406
171 H CYS 25 H CYS 25 1.280 12.611 13.040
172 HA CYS 25 HA CYS 25 2.252 13.267 14.938
173 1HB CYS 25 HB2 CYS 25 4.597 12.735 15.358
174 2HB CYS 25 HB3 CYS 25 3.567 11.421 14.838
175 H ASP 26 H ASP 26 1.539 15.376 13.885
176 HA ASP 26 HA ASP 26 3.621 17.251 14.895
177 1HB ASP 26 HB2 ASP 26 1.603 18.843 14.925
178 2HB ASP 26 HB3 ASP 26 2.220 18.369 13.335
179 H GLY 27 H GLY 27 0.902 15.183 15.892
180 1HA GLY 27 HA1 GLY 27 0.401 14.656 18.174
181 2HA GLY 27 HA2 GLY 27 1.168 16.149 18.711
182 H ASP 28 H ASP 28 -0.754 16.717 15.883
183 HA ASP 28 HA ASP 28 -2.971 17.846 17.550
184 1HB ASP 28 HB2 ASP 28 -2.435 18.040 14.551
185 2HB ASP 28 HB3 ASP 28 -3.876 18.617 15.358
186 H ASN 29 H ASN 29 -4.663 16.616 18.048
187 HA ASN 29 HA ASN 29 -4.951 13.940 17.365
188 1HB ASN 29 HB2 ASN 29 -7.298 15.865 17.683
189 2HB ASN 29 HB3 ASN 29 -7.269 14.159 17.954
190 HD2 ASN 29 HD2 ASN 29 -6.298 13.224 19.800
191 HD2 ASN 29 HD2 ASN 29 -5.911 14.269 21.203
192 H ASP 30 H ASP 30 -5.568 16.543 15.498
193 HA ASP 30 HA ASP 30 -6.979 17.337 13.875
194 1HB ASP 30 HB2 ASP 30 -5.424 17.479 12.302
195 2HB ASP 30 HB3 ASP 30 -4.431 16.829 13.568
196 H CYS 31 H CYS 31 -6.525 13.981 13.525
197 HA CYS 31 HA CYS 31 -8.753 13.533 11.824
198 1HB CYS 31 HB2 CYS 31 -6.726 12.159 11.760
199 2HB CYS 31 HB3 CYS 31 -6.889 11.720 13.439
200 H LEU 32 H LEU 32 -8.454 13.816 15.184
201 HA LEU 32 HA LEU 32 -9.954 13.819 16.903
202 1HB LEU 32 HB2 LEU 32 -12.005 14.544 16.480
203 2HB LEU 32 HB3 LEU 32 -11.533 14.511 14.798
204 HG LEU 32 HG LEU 32 -12.508 11.998 14.900
205 HD1 LEU 32 HD1 LEU 32 -14.165 13.498 16.976
206 HD1 LEU 32 HD1 LEU 32 -14.515 11.896 16.288
207 HD1 LEU 32 HD1 LEU 32 -13.105 12.120 17.330
208 HD2 LEU 32 HD2 LEU 32 -13.254 13.745 13.374
209 HD2 LEU 32 HD2 LEU 32 -14.638 12.904 14.081
210 HD2 LEU 32 HD2 LEU 32 -14.189 14.521 14.676
211 H ASP 33 H ASP 33 -9.989 11.127 14.741
212 HA ASP 33 HA ASP 33 -10.695 9.068 16.712
213 1HB ASP 33 HB2 ASP 33 -11.361 8.284 14.709
214 2HB ASP 33 HB3 ASP 33 -10.338 9.356 13.796
215 H ASN 34 H ASN 34 -7.987 10.919 15.988
216 HA ASN 34 HA ASN 34 -5.775 10.799 16.000
217 1HB ASN 34 HB2 ASN 34 -6.400 8.967 18.370
218 2HB ASN 34 HB3 ASN 34 -4.763 9.073 17.788
219 HD2 ASN 34 HD2 ASN 34 -3.612 10.143 19.274
220 HD2 ASN 34 HD2 ASN 34 -4.166 11.661 19.997
221 H SER 35 H SER 35 -5.512 10.038 13.881
222 HA SER 35 HA SER 35 -5.091 7.101 13.640
223 1HB SER 35 HB2 SER 35 -5.799 9.279 11.666
224 2HB SER 35 HB3 SER 35 -4.964 7.828 11.129
225 HG SER 35 HG SER 35 -7.446 7.656 12.642
226 H ASP 36 H ASP 36 -3.832 10.085 12.483
227 HA ASP 36 HA ASP 36 -1.088 9.782 12.101
228 1HB ASP 36 HB2 ASP 36 -1.284 12.220 13.002
229 2HB ASP 36 HB3 ASP 36 -2.046 11.835 11.481
230 H GLU 37 H GLU 37 -2.801 10.922 14.921
231 HA GLU 37 HA GLU 37 -0.500 10.384 16.547
232 1HB GLU 37 HB2 GLU 37 -2.998 11.710 17.478
233 2HB GLU 37 HB3 GLU 37 -1.315 11.891 18.047
234 1HG GLU 37 HG2 GLU 37 -2.438 12.730 15.415
235 2HG GLU 37 HG3 GLU 37 -2.169 13.791 16.791
236 H ALA 38 H ALA 38 -2.309 7.958 15.599
237 HA ALA 38 HA ALA 38 -1.796 6.753 18.233
238 1HB ALA 38 HB1 ALA 38 -3.064 4.845 17.115
239 2HB ALA 38 HB2 ALA 38 -4.058 6.289 17.422
240 3HB ALA 38 HB3 ALA 38 -3.436 5.977 15.783
241 HA PRO 39 HA PRO 39 1.928 5.570 16.005
242 1HB PRO 39 HB2 PRO 39 2.887 3.535 17.562
243 2HB PRO 39 HB3 PRO 39 2.796 5.231 18.109
244 1HG PRO 39 HG2 PRO 39 0.770 3.022 18.604
245 2HG PRO 39 HG3 PRO 39 1.548 4.097 19.815
246 1HD PRO 39 HD2 PRO 39 -0.898 4.662 18.801
247 2HD PRO 39 HD3 PRO 39 0.290 5.967 19.095
248 H ALA 40 H ALA 40 -0.628 4.363 15.146
249 HA ALA 40 HA ALA 40 0.232 1.972 13.609
250 1HB ALA 40 HB1 ALA 40 -2.155 2.078 14.287
251 2HB ALA 40 HB2 ALA 40 -2.306 3.681 13.529
252 3HB ALA 40 HB3 ALA 40 -1.984 2.248 12.529
253 H LEU 41 H LEU 41 0.113 5.481 13.687
254 HA LEU 41 HA LEU 41 1.328 5.606 10.990
255 1HB LEU 41 HB2 LEU 41 -0.976 6.610 11.301
256 2HB LEU 41 HB3 LEU 41 -0.259 7.819 12.347
257 HG LEU 41 HG LEU 41 0.902 7.289 9.598
258 HD1 LEU 41 HD1 LEU 41 -0.511 8.947 8.567
259 HD1 LEU 41 HD1 LEU 41 -1.506 7.644 9.233
260 HD1 LEU 41 HD1 LEU 41 -1.397 9.197 10.081
261 HD2 LEU 41 HD2 LEU 41 1.490 9.655 9.645
262 HD2 LEU 41 HD2 LEU 41 0.889 9.781 11.314
263 HD2 LEU 41 HD2 LEU 41 2.269 8.740 10.896
264 H CYS 42 H CYS 42 1.229 8.150 13.690
265 HA CYS 42 HA CYS 42 4.074 7.405 14.096
266 1HB CYS 42 HB2 CYS 42 4.092 8.888 12.171
267 2HB CYS 42 HB3 CYS 42 3.230 10.114 13.086
268 H HIS 43 H HIS 43 1.449 9.603 15.321
269 HA HIS 43 HA HIS 43 1.214 10.572 17.393
270 1HB HIS 43 HB2 HIS 43 0.473 8.391 17.862
271 2HB HIS 43 HB3 HIS 43 2.074 7.716 17.829
272 HD1 HIS 43 HD1 HIS 43 3.664 8.437 19.948
273 HD2 HIS 43 HD2 HIS 43 -0.506 8.597 20.311
274 HE1 HIS 43 HE1 HIS 43 3.118 7.953 22.447
275 H GLN 44 H GLN 44 2.391 12.338 17.333
276 HA GLN 44 HA GLN 44 5.202 12.435 17.925
277 1HB GLN 44 HB2 GLN 44 3.823 14.235 16.804
278 2HB GLN 44 HB3 GLN 44 3.158 14.642 18.374
279 1HG GLN 44 HG2 GLN 44 4.974 16.173 17.709
280 2HG GLN 44 HG3 GLN 44 5.344 15.324 19.203
281 HE2 GLN 44 HE2 GLN 44 5.897 14.840 15.571
282 HE2 GLN 44 HE2 GLN 44 7.560 14.309 15.905
283 H HIS 45 H HIS 45 2.412 12.924 20.069
284 HA HIS 45 HA HIS 45 2.214 13.186 22.359
285 1HB HIS 45 HB2 HIS 45 2.591 10.764 21.729
286 2HB HIS 45 HB3 HIS 45 4.229 10.912 22.353
287 HD1 HIS 45 HD1 HIS 45 1.170 9.518 23.355
288 HD2 HIS 45 HD2 HIS 45 3.990 12.047 25.201
289 HE1 HIS 45 HE1 HIS 45 0.810 9.316 25.903
Start of MODEL 18
1 H GLY 1 H GLY 1 4.248 2.682 -4.055
2 1HA GLY 1 HA1 GLY 1 2.007 1.975 -3.579
3 2HA GLY 1 HA2 GLY 1 2.986 1.096 -2.398
4 H SER 2 H SER 2 3.184 4.255 -1.501
5 HA SER 2 HA SER 2 1.504 4.100 0.813
6 1HB SER 2 HB2 SER 2 2.023 6.510 1.045
7 2HB SER 2 HB3 SER 2 3.483 5.560 0.697
8 HG SER 2 HG SER 2 1.940 6.660 -1.383
9 HA PRO 3 HA PRO 3 -2.308 5.016 -1.470
10 1HB PRO 3 HB2 PRO 3 -4.064 5.316 0.629
11 2HB PRO 3 HB3 PRO 3 -3.488 3.744 0.000
12 1HG PRO 3 HG2 PRO 3 -2.425 5.303 2.371
13 2HG PRO 3 HG3 PRO 3 -2.822 3.557 2.277
14 1HD PRO 3 HD2 PRO 3 -0.279 4.468 2.003
15 2HD PRO 3 HD3 PRO 3 -0.869 3.090 1.022
16 HA PRO 4 HA PRO 4 -1.302 9.378 -1.153
17 1HB PRO 4 HB2 PRO 4 -2.631 10.349 -3.374
18 2HB PRO 4 HB3 PRO 4 -1.148 9.354 -3.473
19 1HG PRO 4 HG2 PRO 4 -4.003 8.423 -3.783
20 2HG PRO 4 HG3 PRO 4 -2.585 8.056 -4.815
21 1HD PRO 4 HD2 PRO 4 -3.431 6.340 -2.881
22 2HD PRO 4 HD3 PRO 4 -1.690 6.565 -3.225
23 H GLN 5 H GLN 5 -4.713 8.793 -1.977
24 HA GLN 5 HA GLN 5 -6.680 9.582 -1.296
25 1HB GLN 5 HB2 GLN 5 -5.173 9.885 1.312
26 2HB GLN 5 HB3 GLN 5 -6.941 9.949 1.163
27 1HG GLN 5 HG2 GLN 5 -5.155 7.562 0.474
28 2HG GLN 5 HG3 GLN 5 -6.170 7.717 1.895
29 HE2 GLN 5 HE2 GLN 5 -8.452 7.266 1.750
30 HE2 GLN 5 HE2 GLN 5 -9.080 6.662 0.213
31 H CYS 6 H CYS 6 -4.225 11.910 -0.268
32 HA CYS 6 HA CYS 6 -5.909 14.094 -1.435
33 1HB CYS 6 HB2 CYS 6 -4.139 14.057 0.909
34 2HB CYS 6 HB3 CYS 6 -3.628 15.267 -0.247
35 H GLN 7 H GLN 7 -2.415 13.273 -1.035
36 HA GLN 7 HA GLN 7 -1.974 13.142 -3.926
37 1HB GLN 7 HB2 GLN 7 -0.345 15.015 -2.135
38 2HB GLN 7 HB3 GLN 7 -0.115 14.735 -3.852
39 1HG GLN 7 HG2 GLN 7 -2.552 15.623 -4.124
40 2HG GLN 7 HG3 GLN 7 -2.341 16.260 -2.490
41 HE2 GLN 7 HE2 GLN 7 -2.637 17.686 -5.195
42 HE2 GLN 7 HE2 GLN 7 -1.172 18.684 -5.206
43 HA PRO 8 HA PRO 8 0.750 9.947 -2.429
44 1HB PRO 8 HB2 PRO 8 2.799 9.779 -4.229
45 2HB PRO 8 HB3 PRO 8 1.108 9.356 -4.616
46 1HG PRO 8 HG2 PRO 8 2.512 11.997 -5.136
47 2HG PRO 8 HG3 PRO 8 1.572 11.000 -6.294
48 1HD PRO 8 HD2 PRO 8 0.445 13.091 -5.023
49 2HD PRO 8 HD3 PRO 8 -0.483 11.586 -5.268
50 H GLY 9 H GLY 9 1.013 11.354 -0.612
51 1HA GLY 9 HA1 GLY 9 3.490 11.257 0.671
52 2HA GLY 9 HA2 GLY 9 3.527 12.801 -0.174
53 H GLU 10 H GLU 10 0.457 11.614 1.144
54 HA GLU 10 HA GLU 10 0.540 13.830 3.128
55 1HB GLU 10 HB2 GLU 10 -1.565 13.039 1.083
56 2HB GLU 10 HB3 GLU 10 -1.872 14.222 2.340
57 1HG GLU 10 HG2 GLU 10 0.403 14.536 0.321
58 2HG GLU 10 HG3 GLU 10 -1.227 15.103 0.069
59 H PHE 11 H PHE 11 -2.047 13.562 4.353
60 HA PHE 11 HA PHE 11 -1.776 11.011 5.654
61 1HB PHE 11 HB2 PHE 11 -1.111 12.686 7.081
62 2HB PHE 11 HB3 PHE 11 -2.436 13.737 6.694
63 HD1 PHE 11 HD1 PHE 11 -2.719 10.040 7.533
64 HD2 PHE 11 HD2 PHE 11 -3.271 14.097 8.923
65 HE1 PHE 11 HE1 PHE 11 -4.194 9.235 9.324
66 HE2 PHE 11 HE2 PHE 11 -4.743 13.243 10.703
67 HZ PHE 11 HZ PHE 11 -5.248 10.869 10.888
68 H ALA 12 H ALA 12 -3.184 9.620 5.469
69 HA ALA 12 HA ALA 12 -6.002 10.163 4.769
70 1HB ALA 12 HB1 ALA 12 -4.691 8.550 3.400
71 2HB ALA 12 HB2 ALA 12 -4.399 7.568 4.844
72 3HB ALA 12 HB3 ALA 12 -6.057 7.769 4.243
73 H CYS 13 H CYS 13 -7.186 10.543 6.490
74 HA CYS 13 HA CYS 13 -6.751 9.427 9.190
75 1HB CYS 13 HB2 CYS 13 -7.499 11.726 8.859
76 2HB CYS 13 HB3 CYS 13 -8.847 11.140 7.895
77 H ALA 14 H ALA 14 -7.648 7.499 9.832
78 HA ALA 14 HA ALA 14 -9.377 5.903 8.318
79 1HB ALA 14 HB1 ALA 14 -7.899 5.145 10.158
80 2HB ALA 14 HB2 ALA 14 -8.982 5.926 11.333
81 3HB ALA 14 HB3 ALA 14 -9.570 4.575 10.351
82 H ASN 15 H ASN 15 -10.379 8.733 10.097
83 HA ASN 15 HA ASN 15 -13.168 7.954 10.404
84 1HB ASN 15 HB2 ASN 15 -12.132 9.901 11.563
85 2HB ASN 15 HB3 ASN 15 -11.961 10.737 10.033
86 HD2 ASN 15 HD2 ASN 15 -14.978 9.319 9.631
87 HD2 ASN 15 HD2 ASN 15 -15.891 10.592 10.453
88 H SER 16 H SER 16 -11.201 9.185 7.802
89 HA SER 16 HA SER 16 -11.574 8.255 5.622
90 1HB SER 16 HB2 SER 16 -14.343 9.490 5.661
91 2HB SER 16 HB3 SER 16 -13.563 8.667 4.297
92 HG SER 16 HG SER 16 -14.268 7.621 6.809
93 H ARG 17 H ARG 17 -10.059 10.185 6.436
94 HA ARG 17 HA ARG 17 -10.754 12.593 4.731
95 1HB ARG 17 HB2 ARG 17 -9.160 13.045 7.216
96 2HB ARG 17 HB3 ARG 17 -10.161 14.147 6.306
97 1HG ARG 17 HG2 ARG 17 -12.199 13.073 7.123
98 2HG ARG 17 HG3 ARG 17 -11.279 11.818 7.951
99 1HD ARG 17 HD2 ARG 17 -10.183 13.273 9.365
100 2HD ARG 17 HD3 ARG 17 -10.815 14.737 8.604
101 HE ARG 17 HE ARG 17 -12.191 13.001 10.545
102 HH1 ARG 17 HH1 ARG 17 -14.294 13.326 11.028
103 HH1 ARG 17 HH1 ARG 17 -15.140 14.767 10.477
104 HH2 ARG 17 HH2 ARG 17 -14.198 16.031 8.859
105 HH2 ARG 17 HH2 ARG 17 -12.584 15.660 8.308
106 H CYS 18 H CYS 18 -9.457 13.627 3.413
107 HA CYS 18 HA CYS 18 -6.580 12.894 3.565
108 1HB CYS 18 HB2 CYS 18 -6.212 13.141 1.509
109 2HB CYS 18 HB3 CYS 18 -7.867 12.657 1.303
110 H ILE 19 H ILE 19 -5.355 14.103 4.616
111 HA ILE 19 HA ILE 19 -5.451 17.068 4.385
112 HB ILE 19 HB ILE 19 -4.708 17.091 6.862
113 HG2 ILE 19 HG2 ILE 19 -7.049 17.265 7.694
114 HG2 ILE 19 HG2 ILE 19 -6.769 18.139 6.175
115 HG2 ILE 19 HG2 ILE 19 -7.630 16.587 6.164
116 HG1 ILE 19 HG1 ILE 19 -4.636 14.474 6.878
117 HG1 ILE 19 HG1 ILE 19 -5.063 15.383 8.294
118 HD1 ILE 19 HD1 ILE 19 -7.403 14.842 8.081
119 HD1 ILE 19 HD1 ILE 19 -7.112 14.038 6.519
120 HD1 ILE 19 HD1 ILE 19 -6.416 13.375 8.002
121 H GLN 20 H GLN 20 -3.277 17.836 5.338
122 HA GLN 20 HA GLN 20 -1.314 16.332 3.859
123 1HB GLN 20 HB2 GLN 20 -0.047 18.487 3.932
124 2HB GLN 20 HB3 GLN 20 -1.690 18.676 3.306
125 1HG GLN 20 HG2 GLN 20 -2.458 19.596 5.454
126 2HG GLN 20 HG3 GLN 20 -0.882 19.277 6.176
127 HE2 GLN 20 HE2 GLN 20 -0.746 20.597 2.924
128 HE2 GLN 20 HE2 GLN 20 -0.351 22.220 3.494
129 H GLU 21 H GLU 21 0.721 15.897 4.434
130 HA GLU 21 HA GLU 21 1.006 14.462 6.828
131 1HB GLU 21 HB2 GLU 21 2.069 13.848 4.804
132 2HB GLU 21 HB3 GLU 21 2.994 15.347 4.707
133 1HG GLU 21 HG2 GLU 21 4.531 14.680 6.303
134 2HG GLU 21 HG3 GLU 21 3.446 13.561 7.087
135 H ARG 22 H ARG 22 1.606 17.780 6.494
136 HA ARG 22 HA ARG 22 3.349 18.317 8.744
137 1HB ARG 22 HB2 ARG 22 2.860 20.149 7.417
138 2HB ARG 22 HB3 ARG 22 1.146 19.775 7.323
139 1HG ARG 22 HG2 ARG 22 0.843 20.439 9.696
140 2HG ARG 22 HG3 ARG 22 2.571 20.869 9.793
141 1HD ARG 22 HD2 ARG 22 2.321 22.710 8.371
142 2HD ARG 22 HD3 ARG 22 0.925 22.010 7.559
143 HE ARG 22 HE ARG 22 0.808 23.005 10.374
144 HH1 ARG 22 HH1 ARG 22 -1.007 24.070 11.029
145 HH1 ARG 22 HH1 ARG 22 -2.274 24.427 9.902
146 HH2 ARG 22 HH2 ARG 22 -2.096 23.898 7.768
147 HH2 ARG 22 HH2 ARG 22 -0.773 22.944 7.157
148 H TRP 23 H TRP 23 0.046 17.039 8.653
149 HA TRP 23 HA TRP 23 -0.404 17.533 11.498
150 1HB TRP 23 HB2 TRP 23 -2.181 16.353 9.347
151 2HB TRP 23 HB3 TRP 23 -2.654 16.992 10.912
152 HD1 TRP 23 HD1 TRP 23 -0.521 19.215 8.663
153 HE1 TRP 23 HE1 TRP 23 -1.841 21.176 7.790
154 HE3 TRP 23 HE3 TRP 23 -5.182 17.617 9.865
155 HZ2 TRP 23 HZ2 TRP 23 -4.563 22.048 7.738
156 HZ3 TRP 23 HZ3 TRP 23 -7.147 19.040 9.413
157 HH2 TRP 23 HH2 TRP 23 -6.860 21.267 8.341
158 H LYS 24 H LYS 24 1.290 15.065 9.798
159 HA LYS 24 HA LYS 24 0.389 12.859 11.468
160 1HB LYS 24 HB2 LYS 24 2.681 13.274 9.479
161 2HB LYS 24 HB3 LYS 24 2.345 11.761 10.293
162 1HG LYS 24 HG2 LYS 24 0.119 11.616 9.195
163 2HG LYS 24 HG3 LYS 24 0.378 13.197 8.496
164 1HD LYS 24 HD2 LYS 24 1.475 12.386 6.760
165 2HD LYS 24 HD3 LYS 24 2.643 11.552 7.782
166 1HE LYS 24 HE2 LYS 24 1.369 9.556 7.757
167 2HE LYS 24 HE3 LYS 24 -0.041 10.363 7.034
168 1HZ LYS 24 HZ1 LYS 24 1.716 9.099 5.523
169 2HZ LYS 24 HZ2 LYS 24 0.987 10.482 4.994
170 3HZ LYS 24 HZ3 LYS 24 2.498 10.568 5.593
171 H CYS 25 H CYS 25 1.044 12.721 13.456
172 HA CYS 25 HA CYS 25 2.010 13.157 15.412
173 1HB CYS 25 HB2 CYS 25 4.504 12.966 15.605
174 2HB CYS 25 HB3 CYS 25 3.510 11.586 15.225
175 H ASP 26 H ASP 26 1.037 15.448 14.551
176 HA ASP 26 HA ASP 26 3.114 17.435 15.350
177 1HB ASP 26 HB2 ASP 26 1.217 19.060 15.014
178 2HB ASP 26 HB3 ASP 26 1.582 18.135 13.542
179 H GLY 27 H GLY 27 0.759 15.327 16.803
180 1HA GLY 27 HA1 GLY 27 0.509 15.240 19.156
181 2HA GLY 27 HA2 GLY 27 0.649 16.989 19.276
182 H ASP 28 H ASP 28 -1.519 16.874 16.690
183 HA ASP 28 HA ASP 28 -3.762 16.511 18.611
184 1HB ASP 28 HB2 ASP 28 -3.211 18.866 17.955
185 2HB ASP 28 HB3 ASP 28 -3.838 18.478 16.351
186 H ASN 29 H ASN 29 -5.637 15.915 18.140
187 HA ASN 29 HA ASN 29 -6.113 13.808 16.193
188 1HB ASN 29 HB2 ASN 29 -8.518 14.803 17.581
189 2HB ASN 29 HB3 ASN 29 -7.854 13.220 17.445
190 HD2 ASN 29 HD2 ASN 29 -6.856 16.360 19.305
191 HD2 ASN 29 HD2 ASN 29 -6.690 15.348 20.738
192 H ASP 30 H ASP 30 -5.395 15.668 14.645
193 HA ASP 30 HA ASP 30 -7.238 17.552 13.587
194 1HB ASP 30 HB2 ASP 30 -5.587 17.771 11.995
195 2HB ASP 30 HB3 ASP 30 -4.679 17.078 13.332
196 H CYS 31 H CYS 31 -6.778 14.165 13.198
197 HA CYS 31 HA CYS 31 -8.789 13.612 11.264
198 1HB CYS 31 HB2 CYS 31 -6.796 12.345 11.566
199 2HB CYS 31 HB3 CYS 31 -7.156 12.001 13.249
200 H LEU 32 H LEU 32 -9.223 14.375 14.549
201 HA LEU 32 HA LEU 32 -10.750 14.064 16.139
202 1HB LEU 32 HB2 LEU 32 -12.542 14.968 15.195
203 2HB LEU 32 HB3 LEU 32 -12.301 14.144 13.681
204 HG LEU 32 HG LEU 32 -13.396 12.072 14.703
205 HD1 LEU 32 HD1 LEU 32 -14.984 12.504 16.562
206 HD1 LEU 32 HD1 LEU 32 -13.348 12.808 17.140
207 HD1 LEU 32 HD1 LEU 32 -14.387 14.171 16.722
208 HD2 LEU 32 HD2 LEU 32 -15.643 12.966 14.271
209 HD2 LEU 32 HD2 LEU 32 -15.038 14.634 14.433
210 HD2 LEU 32 HD2 LEU 32 -14.485 13.606 13.101
211 H ASP 33 H ASP 33 -10.547 11.310 13.976
212 HA ASP 33 HA ASP 33 -11.447 9.270 15.862
213 1HB ASP 33 HB2 ASP 33 -11.793 8.525 13.757
214 2HB ASP 33 HB3 ASP 33 -10.581 9.558 13.063
215 H ASN 34 H ASN 34 -8.669 11.072 15.406
216 HA ASN 34 HA ASN 34 -6.498 11.013 15.875
217 1HB ASN 34 HB2 ASN 34 -7.507 11.001 18.223
218 2HB ASN 34 HB3 ASN 34 -7.215 9.266 18.268
219 HD2 ASN 34 HD2 ASN 34 -5.981 11.998 19.541
220 HD2 ASN 34 HD2 ASN 34 -4.265 11.528 19.444
221 H SER 35 H SER 35 -6.098 9.992 13.920
222 HA SER 35 HA SER 35 -5.301 7.166 14.128
223 1HB SER 35 HB2 SER 35 -5.621 9.086 11.801
224 2HB SER 35 HB3 SER 35 -4.709 7.587 11.659
225 HG SER 35 HG SER 35 -7.495 7.616 12.542
226 H ASP 36 H ASP 36 -4.075 10.166 12.956
227 HA ASP 36 HA ASP 36 -1.493 9.906 12.497
228 1HB ASP 36 HB2 ASP 36 -1.642 12.452 13.370
229 2HB ASP 36 HB3 ASP 36 -2.329 11.921 11.864
230 H GLU 37 H GLU 37 -2.663 11.286 15.382
231 HA GLU 37 HA GLU 37 -0.177 11.231 16.755
232 1HB GLU 37 HB2 GLU 37 -2.906 11.808 17.927
233 2HB GLU 37 HB3 GLU 37 -1.338 12.418 18.464
234 1HG GLU 37 HG2 GLU 37 -2.740 12.981 15.824
235 2HG GLU 37 HG3 GLU 37 -2.558 14.068 17.187
236 H ALA 38 H ALA 38 -2.040 8.465 16.293
237 HA ALA 38 HA ALA 38 -0.887 7.286 18.716
238 1HB ALA 38 HB1 ALA 38 -3.377 7.214 18.462
239 2HB ALA 38 HB2 ALA 38 -3.176 6.482 16.865
240 3HB ALA 38 HB3 ALA 38 -2.655 5.588 18.312
241 HA PRO 39 HA PRO 39 2.006 5.567 15.849
242 1HB PRO 39 HB2 PRO 39 2.999 3.419 17.207
243 2HB PRO 39 HB3 PRO 39 3.184 5.101 17.777
244 1HG PRO 39 HG2 PRO 39 1.046 3.100 18.595
245 2HG PRO 39 HG3 PRO 39 2.137 4.044 19.665
246 1HD PRO 39 HD2 PRO 39 -0.371 4.906 19.098
247 2HD PRO 39 HD3 PRO 39 0.990 6.059 19.206
248 H ALA 40 H ALA 40 -0.821 4.644 15.533
249 HA ALA 40 HA ALA 40 -0.513 2.228 13.835
250 1HB ALA 40 HB1 ALA 40 -2.723 2.621 14.892
251 2HB ALA 40 HB2 ALA 40 -2.788 4.248 14.172
252 3HB ALA 40 HB3 ALA 40 -2.817 2.808 13.129
253 H LEU 41 H LEU 41 -0.171 5.724 13.936
254 HA LEU 41 HA LEU 41 0.749 5.728 11.124
255 1HB LEU 41 HB2 LEU 41 -1.427 6.915 11.580
256 2HB LEU 41 HB3 LEU 41 -0.560 8.044 12.605
257 HG LEU 41 HG LEU 41 0.597 7.556 9.872
258 HD1 LEU 41 HD1 LEU 41 -0.952 9.140 8.793
259 HD1 LEU 41 HD1 LEU 41 -1.784 7.666 9.328
260 HD1 LEU 41 HD1 LEU 41 -1.927 9.163 10.277
261 HD2 LEU 41 HD2 LEU 41 1.489 9.298 11.536
262 HD2 LEU 41 HD2 LEU 41 1.256 9.755 9.876
263 HD2 LEU 41 HD2 LEU 41 0.078 10.259 11.107
264 H CYS 42 H CYS 42 1.044 8.276 13.820
265 HA CYS 42 HA CYS 42 3.934 7.518 13.806
266 1HB CYS 42 HB2 CYS 42 3.576 9.354 12.216
267 2HB CYS 42 HB3 CYS 42 2.832 10.307 13.491
268 H HIS 43 H HIS 43 1.657 9.724 15.567
269 HA HIS 43 HA HIS 43 1.740 10.614 17.649
270 1HB HIS 43 HB2 HIS 43 1.204 8.257 18.227
271 2HB HIS 43 HB3 HIS 43 2.893 7.860 18.340
272 HD1 HIS 43 HD1 HIS 43 2.588 7.023 20.787
273 HD2 HIS 43 HD2 HIS 43 1.672 11.079 20.139
274 HE1 HIS 43 HE1 HIS 43 2.350 8.087 23.093
275 H GLN 44 H GLN 44 4.846 8.906 17.289
276 HA GLN 44 HA GLN 44 6.958 9.292 17.864
277 1HB GLN 44 HB2 GLN 44 6.555 11.050 16.133
278 2HB GLN 44 HB3 GLN 44 6.405 12.240 17.431
279 1HG GLN 44 HG2 GLN 44 8.723 11.809 18.128
280 2HG GLN 44 HG3 GLN 44 8.843 10.450 17.002
281 HE2 GLN 44 HE2 GLN 44 8.722 14.049 17.215
282 HE2 GLN 44 HE2 GLN 44 9.291 14.206 15.545
283 H HIS 45 H HIS 45 4.748 11.076 19.873
284 HA HIS 45 HA HIS 45 4.753 11.674 22.060
285 1HB HIS 45 HB2 HIS 45 4.977 9.085 22.020
286 2HB HIS 45 HB3 HIS 45 6.626 9.349 22.571
287 HD1 HIS 45 HD1 HIS 45 3.052 10.406 23.629
288 HD2 HIS 45 HD2 HIS 45 6.838 9.433 25.204
289 HE1 HIS 45 HE1 HIS 45 2.827 10.436 26.207
Start of MODEL 19
1 H GLY 1 H GLY 1 3.794 -1.444 -3.042
2 1HA GLY 1 HA1 GLY 1 2.726 0.536 -4.732
3 2HA GLY 1 HA2 GLY 1 1.387 -0.286 -3.910
4 H SER 2 H SER 2 1.429 2.221 -3.256
5 HA SER 2 HA SER 2 2.295 2.298 -0.459
6 1HB SER 2 HB2 SER 2 4.205 3.279 -1.710
7 2HB SER 2 HB3 SER 2 3.098 4.435 -2.482
8 HG SER 2 HG SER 2 4.121 5.330 -0.647
9 HA PRO 3 HA PRO 3 -1.738 4.304 -0.510
10 1HB PRO 3 HB2 PRO 3 -1.871 5.395 1.991
11 2HB PRO 3 HB3 PRO 3 -1.972 3.640 1.672
12 1HG PRO 3 HG2 PRO 3 0.466 5.236 2.517
13 2HG PRO 3 HG3 PRO 3 -0.145 3.697 3.201
14 1HD PRO 3 HD2 PRO 3 1.852 3.777 1.344
15 2HD PRO 3 HD3 PRO 3 0.649 2.456 1.365
16 HA PRO 4 HA PRO 4 -0.018 8.322 -1.842
17 1HB PRO 4 HB2 PRO 4 -2.137 9.231 -3.341
18 2HB PRO 4 HB3 PRO 4 -1.025 7.947 -3.889
19 1HG PRO 4 HG2 PRO 4 -3.758 7.641 -2.616
20 2HG PRO 4 HG3 PRO 4 -3.112 6.824 -4.073
21 1HD PRO 4 HD2 PRO 4 -3.107 5.642 -1.610
22 2HD PRO 4 HD3 PRO 4 -1.795 5.368 -2.793
23 H GLN 5 H GLN 5 -3.371 8.253 -0.702
24 HA GLN 5 HA GLN 5 -4.555 9.436 0.834
25 1HB GLN 5 HB2 GLN 5 -1.823 10.152 1.926
26 2HB GLN 5 HB3 GLN 5 -3.355 10.384 2.769
27 1HG GLN 5 HG2 GLN 5 -3.685 7.858 2.624
28 2HG GLN 5 HG3 GLN 5 -2.059 7.751 1.958
29 HE2 GLN 5 HE2 GLN 5 -3.861 7.783 4.962
30 HE2 GLN 5 HE2 GLN 5 -2.387 7.888 5.918
31 H CYS 6 H CYS 6 -5.728 11.103 0.013
32 HA CYS 6 HA CYS 6 -6.457 13.101 -0.656
33 1HB CYS 6 HB2 CYS 6 -4.759 13.799 1.334
34 2HB CYS 6 HB3 CYS 6 -3.952 14.586 0.018
35 H GLN 7 H GLN 7 -3.028 12.986 -1.408
36 HA GLN 7 HA GLN 7 -3.376 13.379 -4.296
37 1HB GLN 7 HB2 GLN 7 -1.444 15.145 -2.741
38 2HB GLN 7 HB3 GLN 7 -2.016 15.308 -4.415
39 1HG GLN 7 HG2 GLN 7 -4.296 15.859 -3.537
40 2HG GLN 7 HG3 GLN 7 -3.609 15.908 -1.908
41 HE2 GLN 7 HE2 GLN 7 -4.821 18.232 -2.715
42 HE2 GLN 7 HE2 GLN 7 -3.540 19.371 -3.170
43 HA PRO 8 HA PRO 8 0.279 10.683 -3.711
44 1HB PRO 8 HB2 PRO 8 2.439 11.446 -5.134
45 2HB PRO 8 HB3 PRO 8 0.913 10.950 -5.920
46 1HG PRO 8 HG2 PRO 8 1.905 13.762 -5.403
47 2HG PRO 8 HG3 PRO 8 1.186 13.093 -6.898
48 1HD PRO 8 HD2 PRO 8 -0.181 14.516 -4.968
49 2HD PRO 8 HD3 PRO 8 -0.981 13.338 -6.059
50 H GLY 9 H GLY 9 0.158 11.359 -1.371
51 1HA GLY 9 HA1 GLY 9 2.091 11.168 0.147
52 2HA GLY 9 HA2 GLY 9 2.745 12.648 -0.555
53 H GLU 10 H GLU 10 -0.552 12.033 0.838
54 HA GLU 10 HA GLU 10 0.169 14.074 2.929
55 1HB GLU 10 HB2 GLU 10 -2.379 13.949 1.331
56 2HB GLU 10 HB3 GLU 10 -2.180 14.990 2.666
57 1HG GLU 10 HG2 GLU 10 -0.277 15.082 0.255
58 2HG GLU 10 HG3 GLU 10 -1.812 15.868 0.280
59 H PHE 11 H PHE 11 -2.493 13.861 4.369
60 HA PHE 11 HA PHE 11 -2.323 11.115 5.260
61 1HB PHE 11 HB2 PHE 11 -1.369 12.293 6.883
62 2HB PHE 11 HB3 PHE 11 -2.403 13.672 6.763
63 HD1 PHE 11 HD1 PHE 11 -3.219 9.995 7.347
64 HD2 PHE 11 HD2 PHE 11 -3.267 14.037 8.880
65 HE1 PHE 11 HE1 PHE 11 -4.709 9.295 9.180
66 HE2 PHE 11 HE2 PHE 11 -4.732 13.325 10.706
67 HZ PHE 11 HZ PHE 11 -5.519 11.002 10.839
68 H ALA 12 H ALA 12 -3.878 9.881 5.223
69 HA ALA 12 HA ALA 12 -6.664 10.796 4.770
70 1HB ALA 12 HB1 ALA 12 -7.150 8.647 3.865
71 2HB ALA 12 HB2 ALA 12 -5.754 9.341 3.025
72 3HB ALA 12 HB3 ALA 12 -5.531 8.048 4.236
73 H CYS 13 H CYS 13 -7.795 10.908 6.541
74 HA CYS 13 HA CYS 13 -7.289 9.568 9.081
75 1HB CYS 13 HB2 CYS 13 -7.933 11.952 8.932
76 2HB CYS 13 HB3 CYS 13 -9.342 11.489 7.986
77 H ALA 14 H ALA 14 -8.278 7.660 9.637
78 HA ALA 14 HA ALA 14 -10.238 6.322 8.115
79 1HB ALA 14 HB1 ALA 14 -9.568 6.028 11.064
80 2HB ALA 14 HB2 ALA 14 -10.381 4.833 10.040
81 3HB ALA 14 HB3 ALA 14 -8.690 5.269 9.721
82 H ASN 15 H ASN 15 -10.880 9.082 10.171
83 HA ASN 15 HA ASN 15 -13.704 8.424 10.582
84 1HB ASN 15 HB2 ASN 15 -12.655 10.162 11.975
85 2HB ASN 15 HB3 ASN 15 -12.334 11.166 10.573
86 HD2 ASN 15 HD2 ASN 15 -15.003 9.743 12.520
87 HD2 ASN 15 HD2 ASN 15 -16.123 11.004 11.987
88 H SER 16 H SER 16 -11.803 9.677 7.985
89 HA SER 16 HA SER 16 -12.380 9.007 5.775
90 1HB SER 16 HB2 SER 16 -15.043 10.428 6.082
91 2HB SER 16 HB3 SER 16 -14.418 9.617 4.633
92 HG SER 16 HG SER 16 -15.065 8.521 7.137
93 H ARG 17 H ARG 17 -10.670 10.693 6.549
94 HA ARG 17 HA ARG 17 -11.299 13.339 5.192
95 1HB ARG 17 HB2 ARG 17 -9.656 13.534 7.673
96 2HB ARG 17 HB3 ARG 17 -10.632 14.730 6.897
97 1HG ARG 17 HG2 ARG 17 -11.686 12.384 8.542
98 2HG ARG 17 HG3 ARG 17 -11.459 14.025 9.111
99 1HD ARG 17 HD2 ARG 17 -13.548 13.026 7.160
100 2HD ARG 17 HD3 ARG 17 -13.768 13.716 8.744
101 HE ARG 17 HE ARG 17 -13.186 15.881 7.935
102 HH1 ARG 17 HH1 ARG 17 -13.594 17.442 6.416
103 HH1 ARG 17 HH1 ARG 17 -13.917 16.998 4.768
104 HH2 ARG 17 HH2 ARG 17 -13.984 14.877 4.131
105 HH2 ARG 17 HH2 ARG 17 -13.599 13.589 5.234
106 H CYS 18 H CYS 18 -9.911 14.533 4.017
107 HA CYS 18 HA CYS 18 -7.125 13.575 4.170
108 1HB CYS 18 HB2 CYS 18 -6.563 13.517 2.199
109 2HB CYS 18 HB3 CYS 18 -8.206 12.911 2.068
110 H ILE 19 H ILE 19 -5.712 14.607 4.876
111 HA ILE 19 HA ILE 19 -5.639 17.587 4.924
112 HB ILE 19 HB ILE 19 -4.697 17.239 7.322
113 HG2 ILE 19 HG2 ILE 19 -6.671 18.554 6.917
114 HG2 ILE 19 HG2 ILE 19 -7.692 17.104 6.825
115 HG2 ILE 19 HG2 ILE 19 -6.916 17.560 8.362
116 HG1 ILE 19 HG1 ILE 19 -4.867 14.652 7.077
117 HG1 ILE 19 HG1 ILE 19 -5.165 15.418 8.610
118 HD1 ILE 19 HD1 ILE 19 -6.702 13.576 8.145
119 HD1 ILE 19 HD1 ILE 19 -7.542 15.103 8.455
120 HD1 ILE 19 HD1 ILE 19 -7.403 14.478 6.797
121 H GLN 20 H GLN 20 -3.401 18.207 5.480
122 HA GLN 20 HA GLN 20 -1.586 16.642 3.894
123 1HB GLN 20 HB2 GLN 20 -0.211 18.711 3.970
124 2HB GLN 20 HB3 GLN 20 -1.895 19.069 3.549
125 1HG GLN 20 HG2 GLN 20 -2.309 19.663 5.966
126 2HG GLN 20 HG3 GLN 20 -0.590 19.388 6.277
127 HE2 GLN 20 HE2 GLN 20 -0.607 20.922 3.288
128 HE2 GLN 20 HE2 GLN 20 -0.476 22.553 3.964
129 H GLU 21 H GLU 21 0.452 16.037 4.402
130 HA GLU 21 HA GLU 21 0.731 14.462 6.756
131 1HB GLU 21 HB2 GLU 21 1.636 13.863 4.642
132 2HB GLU 21 HB3 GLU 21 2.659 15.295 4.551
133 1HG GLU 21 HG2 GLU 21 4.215 14.462 6.060
134 2HG GLU 21 HG3 GLU 21 3.087 13.378 6.835
135 H ARG 22 H ARG 22 1.552 17.866 6.535
136 HA ARG 22 HA ARG 22 3.376 18.098 8.745
137 1HB ARG 22 HB2 ARG 22 2.952 20.167 7.882
138 2HB ARG 22 HB3 ARG 22 1.251 19.825 7.563
139 1HG ARG 22 HG2 ARG 22 0.824 19.794 9.968
140 2HG ARG 22 HG3 ARG 22 2.483 20.338 10.313
141 1HD ARG 22 HD2 ARG 22 1.873 22.494 9.711
142 2HD ARG 22 HD3 ARG 22 0.669 21.903 8.569
143 HE ARG 22 HE ARG 22 -0.745 22.622 10.286
144 HH1 ARG 22 HH1 ARG 22 -2.340 21.816 11.691
145 HH1 ARG 22 HH1 ARG 22 -1.819 20.629 12.862
146 HH2 ARG 22 HH2 ARG 22 -0.045 19.709 12.894
147 HH2 ARG 22 HH2 ARG 22 1.333 20.225 11.960
148 H TRP 23 H TRP 23 -0.038 17.024 8.658
149 HA TRP 23 HA TRP 23 -0.375 17.385 11.517
150 1HB TRP 23 HB2 TRP 23 -2.297 16.412 9.374
151 2HB TRP 23 HB3 TRP 23 -2.675 16.961 10.988
152 HD1 TRP 23 HD1 TRP 23 -0.584 19.053 8.494
153 HE1 TRP 23 HE1 TRP 23 -1.792 21.194 7.874
154 HE3 TRP 23 HE3 TRP 23 -5.043 18.050 10.670
155 HZ2 TRP 23 HZ2 TRP 23 -4.350 22.387 8.366
156 HZ3 TRP 23 HZ3 TRP 23 -6.906 19.672 10.530
157 HH2 TRP 23 HH2 TRP 23 -6.574 21.858 9.383
158 H LYS 24 H LYS 24 1.147 14.940 9.632
159 HA LYS 24 HA LYS 24 0.281 12.751 11.303
160 1HB LYS 24 HB2 LYS 24 2.399 13.109 9.135
161 2HB LYS 24 HB3 LYS 24 2.153 11.618 10.020
162 1HG LYS 24 HG2 LYS 24 -0.123 11.370 9.126
163 2HG LYS 24 HG3 LYS 24 -0.032 12.970 8.409
164 1HD LYS 24 HD2 LYS 24 1.077 12.318 6.606
165 2HD LYS 24 HD3 LYS 24 2.240 11.357 7.509
166 1HE LYS 24 HE2 LYS 24 0.932 9.414 7.357
167 2HE LYS 24 HE3 LYS 24 -0.519 10.310 6.852
168 1HZ LYS 24 HZ1 LYS 24 1.950 10.386 5.209
169 2HZ LYS 24 HZ2 LYS 24 0.715 9.209 4.970
170 3HZ LYS 24 HZ3 LYS 24 0.444 10.772 4.772
171 H CYS 25 H CYS 25 1.052 12.436 13.114
172 HA CYS 25 HA CYS 25 1.843 12.855 14.986
173 1HB CYS 25 HB2 CYS 25 4.458 12.775 15.300
174 2HB CYS 25 HB3 CYS 25 3.509 11.407 14.942
175 H ASP 26 H ASP 26 0.858 15.165 14.629
176 HA ASP 26 HA ASP 26 2.972 17.102 15.511
177 1HB ASP 26 HB2 ASP 26 1.097 18.799 15.376
178 2HB ASP 26 HB3 ASP 26 1.725 18.192 13.844
179 H GLY 27 H GLY 27 0.901 14.771 16.863
180 1HA GLY 27 HA1 GLY 27 0.100 14.547 18.988
181 2HA GLY 27 HA2 GLY 27 0.637 16.168 19.429
182 H ASP 28 H ASP 28 -1.353 16.063 16.416
183 HA ASP 28 HA ASP 28 -3.622 17.000 18.134
184 1HB ASP 28 HB2 ASP 28 -2.685 18.749 16.691
185 2HB ASP 28 HB3 ASP 28 -3.192 17.831 15.278
186 H ASN 29 H ASN 29 -5.248 15.876 18.311
187 HA ASN 29 HA ASN 29 -6.312 13.556 17.459
188 1HB ASN 29 HB2 ASN 29 -8.085 16.019 17.213
189 2HB ASN 29 HB3 ASN 29 -8.458 14.448 17.811
190 HD2 ASN 29 HD2 ASN 29 -6.531 17.457 18.389
191 HD2 ASN 29 HD2 ASN 29 -6.693 17.359 20.168
192 H ASP 30 H ASP 30 -6.401 16.520 15.748
193 HA ASP 30 HA ASP 30 -7.455 17.445 14.025
194 1HB ASP 30 HB2 ASP 30 -5.694 17.793 12.765
195 2HB ASP 30 HB3 ASP 30 -4.886 16.767 13.916
196 H CYS 31 H CYS 31 -7.000 14.189 13.371
197 HA CYS 31 HA CYS 31 -8.993 13.805 11.384
198 1HB CYS 31 HB2 CYS 31 -7.010 12.475 11.420
199 2HB CYS 31 HB3 CYS 31 -7.213 12.039 13.117
200 H LEU 32 H LEU 32 -9.075 13.876 14.788
201 HA LEU 32 HA LEU 32 -10.760 13.776 16.317
202 1HB LEU 32 HB2 LEU 32 -12.690 14.689 15.729
203 2HB LEU 32 HB3 LEU 32 -12.004 14.777 14.126
204 HG LEU 32 HG LEU 32 -13.154 12.362 13.833
205 HD1 LEU 32 HD1 LEU 32 -15.320 12.270 14.967
206 HD1 LEU 32 HD1 LEU 32 -14.036 12.260 16.178
207 HD1 LEU 32 HD1 LEU 32 -14.945 13.751 15.877
208 HD2 LEU 32 HD2 LEU 32 -15.114 13.522 12.901
209 HD2 LEU 32 HD2 LEU 32 -14.627 15.021 13.728
210 HD2 LEU 32 HD2 LEU 32 -13.604 14.318 12.451
211 H ASP 33 H ASP 33 -10.677 11.267 13.935
212 HA ASP 33 HA ASP 33 -11.688 9.102 15.670
213 1HB ASP 33 HB2 ASP 33 -11.974 8.478 13.500
214 2HB ASP 33 HB3 ASP 33 -10.685 9.487 12.897
215 H ASN 34 H ASN 34 -8.888 10.977 15.315
216 HA ASN 34 HA ASN 34 -6.680 10.798 15.578
217 1HB ASN 34 HB2 ASN 34 -7.137 10.775 17.976
218 2HB ASN 34 HB3 ASN 34 -7.352 9.010 17.937
219 HD2 ASN 34 HD2 ASN 34 -5.477 9.203 19.643
220 HD2 ASN 34 HD2 ASN 34 -3.869 9.249 18.890
221 H SER 35 H SER 35 -6.272 9.928 13.551
222 HA SER 35 HA SER 35 -5.703 7.053 13.569
223 1HB SER 35 HB2 SER 35 -5.856 9.077 11.326
224 2HB SER 35 HB3 SER 35 -5.083 7.504 11.170
225 HG SER 35 HG SER 35 -7.827 7.619 12.106
226 H ASP 36 H ASP 36 -4.176 10.143 12.520
227 HA ASP 36 HA ASP 36 -1.808 8.891 12.169
228 1HB ASP 36 HB2 ASP 36 -0.904 10.814 11.625
229 2HB ASP 36 HB3 ASP 36 -2.590 11.062 11.249
230 H GLU 37 H GLU 37 -2.771 10.849 14.991
231 HA GLU 37 HA GLU 37 -0.296 10.611 16.340
232 1HB GLU 37 HB2 GLU 37 -2.928 11.342 17.646
233 2HB GLU 37 HB3 GLU 37 -1.317 11.823 18.094
234 1HG GLU 37 HG2 GLU 37 -2.721 12.563 15.496
235 2HG GLU 37 HG3 GLU 37 -2.644 13.553 16.967
236 H ALA 38 H ALA 38 -2.407 7.996 15.841
237 HA ALA 38 HA ALA 38 -1.379 6.735 18.300
238 1HB ALA 38 HB1 ALA 38 -3.408 5.815 16.212
239 2HB ALA 38 HB2 ALA 38 -2.922 4.916 17.666
240 3HB ALA 38 HB3 ALA 38 -3.794 6.458 17.818
241 HA PRO 39 HA PRO 39 2.011 5.467 15.725
242 1HB PRO 39 HB2 PRO 39 3.130 3.478 17.230
243 2HB PRO 39 HB3 PRO 39 3.070 5.180 17.760
244 1HG PRO 39 HG2 PRO 39 1.121 2.956 18.460
245 2HG PRO 39 HG3 PRO 39 1.988 4.054 19.585
246 1HD PRO 39 HD2 PRO 39 -0.544 4.577 18.777
247 2HD PRO 39 HD3 PRO 39 0.645 5.896 18.969
248 H ALA 40 H ALA 40 -0.603 4.206 15.251
249 HA ALA 40 HA ALA 40 0.048 1.792 13.633
250 1HB ALA 40 HB1 ALA 40 -2.391 3.640 13.684
251 2HB ALA 40 HB2 ALA 40 -2.213 2.179 12.688
252 3HB ALA 40 HB3 ALA 40 -2.279 2.041 14.456
253 H LEU 41 H LEU 41 0.031 5.296 13.627
254 HA LEU 41 HA LEU 41 1.255 5.353 10.916
255 1HB LEU 41 HB2 LEU 41 -1.068 6.285 11.151
256 2HB LEU 41 HB3 LEU 41 -0.434 7.471 12.278
257 HG LEU 41 HG LEU 41 0.751 7.164 9.525
258 HD1 LEU 41 HD1 LEU 41 -1.741 7.471 9.237
259 HD1 LEU 41 HD1 LEU 41 -1.589 9.044 10.046
260 HD1 LEU 41 HD1 LEU 41 -0.771 8.764 8.529
261 HD2 LEU 41 HD2 LEU 41 2.102 8.577 10.717
262 HD2 LEU 41 HD2 LEU 41 1.123 9.632 9.736
263 HD2 LEU 41 HD2 LEU 41 0.742 9.441 11.467
264 H CYS 42 H CYS 42 1.018 7.919 13.565
265 HA CYS 42 HA CYS 42 3.828 7.473 14.173
266 1HB CYS 42 HB2 CYS 42 3.842 8.872 12.059
267 2HB CYS 42 HB3 CYS 42 2.946 10.091 12.930
268 H HIS 43 H HIS 43 3.870 7.712 16.403
269 HA HIS 43 HA HIS 43 2.523 10.148 17.561
270 1HB HIS 43 HB2 HIS 43 1.226 8.075 18.130
271 2HB HIS 43 HB3 HIS 43 2.687 7.343 18.763
272 HD1 HIS 43 HD1 HIS 43 3.383 7.889 21.189
273 HD2 HIS 43 HD2 HIS 43 0.586 10.578 19.566
274 HE1 HIS 43 HE1 HIS 43 2.709 9.488 23.084
275 H GLN 44 H GLN 44 4.225 11.449 17.975
276 HA GLN 44 HA GLN 44 6.537 10.385 19.494
277 1HB GLN 44 HB2 GLN 44 6.948 10.313 16.984
278 2HB GLN 44 HB3 GLN 44 6.879 12.072 16.977
279 1HG GLN 44 HG2 GLN 44 8.811 10.368 18.632
280 2HG GLN 44 HG3 GLN 44 9.194 11.086 17.071
281 HE2 GLN 44 HE2 GLN 44 9.023 13.604 16.952
282 HE2 GLN 44 HE2 GLN 44 9.507 14.402 18.451
283 H HIS 45 H HIS 45 6.606 11.572 21.283
284 HA HIS 45 HA HIS 45 5.408 14.050 21.812
285 1HB HIS 45 HB2 HIS 45 7.948 12.950 23.071
286 2HB HIS 45 HB3 HIS 45 6.793 14.060 23.807
287 HD1 HIS 45 HD1 HIS 45 7.681 10.615 24.109
288 HD2 HIS 45 HD2 HIS 45 4.056 12.724 23.707
289 HE1 HIS 45 HE1 HIS 45 5.826 9.070 24.975
Start of MODEL 20
1 H GLY 1 H GLY 1 4.772 6.133 -0.084
2 1HA GLY 1 HA1 GLY 1 3.807 4.176 1.682
3 2HA GLY 1 HA2 GLY 1 5.141 5.033 2.476
4 H SER 2 H SER 2 2.953 5.298 3.730
5 HA SER 2 HA SER 2 1.541 6.737 4.754
6 1HB SER 2 HB2 SER 2 3.005 8.636 3.833
7 2HB SER 2 HB3 SER 2 1.758 8.832 2.584
8 HG SER 2 HG SER 2 0.484 9.736 4.057
9 HA PRO 3 HA PRO 3 -1.994 5.487 2.191
10 1HB PRO 3 HB2 PRO 3 -4.023 5.800 3.945
11 2HB PRO 3 HB3 PRO 3 -2.838 4.478 4.066
12 1HG PRO 3 HG2 PRO 3 -2.818 7.093 5.605
13 2HG PRO 3 HG3 PRO 3 -2.600 5.432 6.233
14 1HD PRO 3 HD2 PRO 3 -0.497 7.093 5.620
15 2HD PRO 3 HD3 PRO 3 -0.396 5.315 5.435
16 HA PRO 4 HA PRO 4 -1.801 9.748 1.155
17 1HB PRO 4 HB2 PRO 4 -2.456 9.712 -1.504
18 2HB PRO 4 HB3 PRO 4 -0.982 8.946 -0.829
19 1HG PRO 4 HG2 PRO 4 -3.611 7.614 -1.540
20 2HG PRO 4 HG3 PRO 4 -1.948 7.097 -1.956
21 1HD PRO 4 HD2 PRO 4 -3.311 6.079 0.195
22 2HD PRO 4 HD3 PRO 4 -1.541 6.308 0.193
23 H GLN 5 H GLN 5 -4.752 8.596 -0.445
24 HA GLN 5 HA GLN 5 -6.759 9.488 -0.904
25 1HB GLN 5 HB2 GLN 5 -6.325 10.461 1.910
26 2HB GLN 5 HB3 GLN 5 -7.778 10.940 1.017
27 1HG GLN 5 HG2 GLN 5 -6.957 8.043 1.436
28 2HG GLN 5 HG3 GLN 5 -8.110 8.930 2.445
29 HE2 GLN 5 HE2 GLN 5 -8.008 6.755 -0.156
30 HE2 GLN 5 HE2 GLN 5 -9.570 7.262 -0.813
31 H CYS 6 H CYS 6 -4.810 12.189 0.387
32 HA CYS 6 HA CYS 6 -6.133 14.153 -1.361
33 1HB CYS 6 HB2 CYS 6 -4.187 14.158 0.872
34 2HB CYS 6 HB3 CYS 6 -3.789 15.320 -0.369
35 H GLN 7 H GLN 7 -2.715 13.072 -1.048
36 HA GLN 7 HA GLN 7 -2.312 12.937 -3.942
37 1HB GLN 7 HB2 GLN 7 -0.381 14.619 -2.307
38 2HB GLN 7 HB3 GLN 7 -0.562 14.539 -4.043
39 1HG GLN 7 HG2 GLN 7 -2.719 15.778 -3.880
40 2HG GLN 7 HG3 GLN 7 -2.496 15.914 -2.132
41 HE2 GLN 7 HE2 GLN 7 -0.705 17.332 -1.228
42 HE2 GLN 7 HE2 GLN 7 -0.058 18.478 -2.418
43 HA PRO 8 HA PRO 8 0.265 9.602 -2.518
44 1HB PRO 8 HB2 PRO 8 2.425 9.522 -4.219
45 2HB PRO 8 HB3 PRO 8 0.764 9.017 -4.645
46 1HG PRO 8 HG2 PRO 8 2.081 11.697 -5.170
47 2HG PRO 8 HG3 PRO 8 1.160 10.670 -6.318
48 1HD PRO 8 HD2 PRO 8 -0.012 12.750 -5.073
49 2HD PRO 8 HD3 PRO 8 -0.906 11.218 -5.283
50 H GLY 9 H GLY 9 0.713 10.335 -0.495
51 1HA GLY 9 HA1 GLY 9 2.973 10.225 0.761
52 2HA GLY 9 HA2 GLY 9 3.228 11.834 0.090
53 H GLU 10 H GLU 10 0.141 12.051 0.436
54 HA GLU 10 HA GLU 10 0.292 13.576 2.858
55 1HB GLU 10 HB2 GLU 10 -1.981 12.869 0.969
56 2HB GLU 10 HB3 GLU 10 -2.064 14.174 2.144
57 1HG GLU 10 HG2 GLU 10 0.152 14.085 0.009
58 2HG GLU 10 HG3 GLU 10 -1.435 14.645 -0.302
59 H PHE 11 H PHE 11 -2.301 13.364 4.141
60 HA PHE 11 HA PHE 11 -2.160 10.719 5.268
61 1HB PHE 11 HB2 PHE 11 -1.233 12.173 6.723
62 2HB PHE 11 HB3 PHE 11 -2.357 13.454 6.454
63 HD1 PHE 11 HD1 PHE 11 -3.097 9.796 7.258
64 HD2 PHE 11 HD2 PHE 11 -3.047 13.874 8.689
65 HE1 PHE 11 HE1 PHE 11 -4.522 9.159 9.151
66 HE2 PHE 11 HE2 PHE 11 -4.479 13.216 10.568
67 HZ PHE 11 HZ PHE 11 -5.285 10.925 10.784
68 H ALA 12 H ALA 12 -3.668 9.464 4.904
69 HA ALA 12 HA ALA 12 -6.484 10.252 4.589
70 1HB ALA 12 HB1 ALA 12 -5.141 7.533 4.626
71 2HB ALA 12 HB2 ALA 12 -6.805 7.866 4.131
72 3HB ALA 12 HB3 ALA 12 -5.441 8.494 3.165
73 H CYS 13 H CYS 13 -7.546 10.697 6.376
74 HA CYS 13 HA CYS 13 -7.100 9.495 9.019
75 1HB CYS 13 HB2 CYS 13 -7.693 11.869 8.706
76 2HB CYS 13 HB3 CYS 13 -9.141 11.370 7.845
77 H ALA 14 H ALA 14 -8.088 7.595 9.609
78 HA ALA 14 HA ALA 14 -10.068 6.262 8.091
79 1HB ALA 14 HB1 ALA 14 -10.218 4.774 10.016
80 2HB ALA 14 HB2 ALA 14 -8.524 5.180 9.671
81 3HB ALA 14 HB3 ALA 14 -9.368 5.952 11.028
82 H ASN 15 H ASN 15 -10.657 9.050 10.112
83 HA ASN 15 HA ASN 15 -13.486 8.451 10.545
84 1HB ASN 15 HB2 ASN 15 -12.456 10.229 11.872
85 2HB ASN 15 HB3 ASN 15 -12.053 11.159 10.439
86 HD2 ASN 15 HD2 ASN 15 -14.857 9.865 12.296
87 HD2 ASN 15 HD2 ASN 15 -15.910 11.146 11.682
88 H SER 16 H SER 16 -11.590 9.596 7.888
89 HA SER 16 HA SER 16 -12.203 8.849 5.704
90 1HB SER 16 HB2 SER 16 -14.837 10.326 5.997
91 2HB SER 16 HB3 SER 16 -14.240 9.473 4.562
92 HG SER 16 HG SER 16 -14.874 8.446 7.098
93 H ARG 17 H ARG 17 -10.441 10.517 6.386
94 HA ARG 17 HA ARG 17 -11.015 13.090 4.885
95 1HB ARG 17 HB2 ARG 17 -9.269 13.375 7.277
96 2HB ARG 17 HB3 ARG 17 -10.231 14.556 6.463
97 1HG ARG 17 HG2 ARG 17 -11.304 12.364 8.301
98 2HG ARG 17 HG3 ARG 17 -10.982 14.024 8.756
99 1HD ARG 17 HD2 ARG 17 -13.197 13.004 6.959
100 2HD ARG 17 HD3 ARG 17 -13.318 13.786 8.510
101 HE ARG 17 HE ARG 17 -12.694 15.880 7.559
102 HH1 ARG 17 HH1 ARG 17 -13.076 17.371 5.965
103 HH1 ARG 17 HH1 ARG 17 -13.465 16.851 4.355
104 HH2 ARG 17 HH2 ARG 17 -13.643 14.703 3.841
105 HH2 ARG 17 HH2 ARG 17 -13.286 13.461 5.006
106 H CYS 18 H CYS 18 -9.699 14.045 3.523
107 HA CYS 18 HA CYS 18 -6.885 13.080 3.577
108 1HB CYS 18 HB2 CYS 18 -6.525 13.314 1.546
109 2HB CYS 18 HB3 CYS 18 -8.240 13.014 1.342
110 H ILE 19 H ILE 19 -5.556 14.138 4.634
111 HA ILE 19 HA ILE 19 -5.514 17.112 4.518
112 HB ILE 19 HB ILE 19 -4.623 17.012 6.914
113 HG2 ILE 19 HG2 ILE 19 -6.882 17.186 7.930
114 HG2 ILE 19 HG2 ILE 19 -6.716 18.101 6.420
115 HG2 ILE 19 HG2 ILE 19 -7.591 16.556 6.430
116 HG1 ILE 19 HG1 ILE 19 -4.541 14.422 6.868
117 HG1 ILE 19 HG1 ILE 19 -4.956 15.259 8.336
118 HD1 ILE 19 HD1 ILE 19 -6.260 13.242 7.990
119 HD1 ILE 19 HD1 ILE 19 -7.275 14.682 8.165
120 HD1 ILE 19 HD1 ILE 19 -7.025 13.945 6.565
121 H GLN 20 H GLN 20 -3.350 17.828 4.972
122 HA GLN 20 HA GLN 20 -1.467 16.304 3.451
123 1HB GLN 20 HB2 GLN 20 -0.204 18.425 3.436
124 2HB GLN 20 HB3 GLN 20 -1.919 18.749 3.133
125 1HG GLN 20 HG2 GLN 20 -2.157 19.218 5.638
126 2HG GLN 20 HG3 GLN 20 -0.398 19.117 5.756
127 HE2 GLN 20 HE2 GLN 20 -0.643 20.698 2.866
128 HE2 GLN 20 HE2 GLN 20 -0.745 22.318 3.569
129 H GLU 21 H GLU 21 0.583 15.852 3.960
130 HA GLU 21 HA GLU 21 1.084 14.283 6.187
131 1HB GLU 21 HB2 GLU 21 2.374 13.887 4.300
132 2HB GLU 21 HB3 GLU 21 2.765 15.580 4.026
133 1HG GLU 21 HG2 GLU 21 4.421 15.616 5.719
134 2HG GLU 21 HG3 GLU 21 3.986 14.040 6.341
135 H ARG 22 H ARG 22 1.592 17.802 6.294
136 HA ARG 22 HA ARG 22 3.308 17.966 8.565
137 1HB ARG 22 HB2 ARG 22 2.791 20.070 7.835
138 2HB ARG 22 HB3 ARG 22 1.109 19.692 7.502
139 1HG ARG 22 HG2 ARG 22 0.724 19.492 9.992
140 2HG ARG 22 HG3 ARG 22 2.379 20.087 10.254
141 1HD ARG 22 HD2 ARG 22 1.670 22.244 9.744
142 2HD ARG 22 HD3 ARG 22 0.418 21.642 8.656
143 HE ARG 22 HE ARG 22 -1.062 21.888 10.401
144 HH1 ARG 22 HH1 ARG 22 -2.166 20.907 12.188
145 HH1 ARG 22 HH1 ARG 22 -1.122 20.156 13.395
146 HH2 ARG 22 HH2 ARG 22 0.767 20.038 13.371
147 HH2 ARG 22 HH2 ARG 22 1.848 20.668 12.108
148 H TRP 23 H TRP 23 -0.049 16.806 8.311
149 HA TRP 23 HA TRP 23 -0.534 17.195 11.158
150 1HB TRP 23 HB2 TRP 23 -2.260 16.086 8.911
151 2HB TRP 23 HB3 TRP 23 -2.787 16.577 10.503
152 HD1 TRP 23 HD1 TRP 23 -0.650 18.797 8.162
153 HE1 TRP 23 HE1 TRP 23 -1.913 20.895 7.487
154 HE3 TRP 23 HE3 TRP 23 -5.209 17.601 10.045
155 HZ2 TRP 23 HZ2 TRP 23 -4.497 22.023 7.918
156 HZ3 TRP 23 HZ3 TRP 23 -7.086 19.192 9.881
157 HH2 TRP 23 HH2 TRP 23 -6.752 21.419 8.821
158 H LYS 24 H LYS 24 1.132 14.777 9.331
159 HA LYS 24 HA LYS 24 0.444 12.534 10.997
160 1HB LYS 24 HB2 LYS 24 2.626 13.021 8.934
161 2HB LYS 24 HB3 LYS 24 2.326 11.504 9.738
162 1HG LYS 24 HG2 LYS 24 -0.009 11.468 8.808
163 2HG LYS 24 HG3 LYS 24 0.416 12.925 7.902
164 1HD LYS 24 HD2 LYS 24 1.646 10.147 7.548
165 2HD LYS 24 HD3 LYS 24 0.629 11.027 6.406
166 1HE LYS 24 HE2 LYS 24 2.438 12.843 6.443
167 2HE LYS 24 HE3 LYS 24 3.456 11.693 7.295
168 1HZ LYS 24 HZ1 LYS 24 2.423 11.447 4.517
169 2HZ LYS 24 HZ2 LYS 24 3.957 11.580 4.997
170 3HZ LYS 24 HZ3 LYS 24 3.072 10.185 5.323
171 H CYS 25 H CYS 25 1.345 12.204 12.835
172 HA CYS 25 HA CYS 25 2.739 12.036 14.522
173 1HB CYS 25 HB2 CYS 25 4.980 13.537 13.144
174 2HB CYS 25 HB3 CYS 25 5.117 12.293 14.372
175 H ASP 26 H ASP 26 1.092 14.550 14.129
176 HA ASP 26 HA ASP 26 2.792 16.889 14.575
177 1HB ASP 26 HB2 ASP 26 1.400 17.669 13.116
178 2HB ASP 26 HB3 ASP 26 0.487 16.243 13.053
179 H GLY 27 H GLY 27 1.046 14.659 16.485
180 1HA GLY 27 HA1 GLY 27 0.865 14.705 18.805
181 2HA GLY 27 HA2 GLY 27 1.186 16.441 18.819
182 H ASP 28 H ASP 28 -1.292 15.753 16.424
183 HA ASP 28 HA ASP 28 -3.346 15.778 18.525
184 1HB ASP 28 HB2 ASP 28 -2.807 18.181 17.986
185 2HB ASP 28 HB3 ASP 28 -3.518 17.904 16.395
186 H ASN 29 H ASN 29 -5.260 15.297 18.139
187 HA ASN 29 HA ASN 29 -6.050 13.439 16.049
188 1HB ASN 29 HB2 ASN 29 -8.234 14.448 17.729
189 2HB ASN 29 HB3 ASN 29 -7.709 12.837 17.399
190 HD2 ASN 29 HD2 ASN 29 -6.382 15.703 19.450
191 HD2 ASN 29 HD2 ASN 29 -6.137 14.548 20.762
192 H ASP 30 H ASP 30 -5.231 15.637 14.844
193 HA ASP 30 HA ASP 30 -7.002 17.551 13.836
194 1HB ASP 30 HB2 ASP 30 -5.328 17.716 12.247
195 2HB ASP 30 HB3 ASP 30 -4.464 16.852 13.521
196 H CYS 31 H CYS 31 -6.689 14.171 13.301
197 HA CYS 31 HA CYS 31 -8.698 13.802 11.327
198 1HB CYS 31 HB2 CYS 31 -6.740 12.502 11.393
199 2HB CYS 31 HB3 CYS 31 -6.948 12.029 13.074
200 H LEU 32 H LEU 32 -9.136 14.246 14.665
201 HA LEU 32 HA LEU 32 -10.702 13.837 16.171
202 1HB LEU 32 HB2 LEU 32 -12.709 14.559 15.587
203 2HB LEU 32 HB3 LEU 32 -11.981 14.768 14.011
204 HG LEU 32 HG LEU 32 -12.928 12.313 13.554
205 HD1 LEU 32 HD1 LEU 32 -15.109 11.970 14.635
206 HD1 LEU 32 HD1 LEU 32 -13.836 11.940 15.856
207 HD1 LEU 32 HD1 LEU 32 -14.844 13.386 15.676
208 HD2 LEU 32 HD2 LEU 32 -14.606 14.854 13.632
209 HD2 LEU 32 HD2 LEU 32 -13.544 14.315 12.308
210 HD2 LEU 32 HD2 LEU 32 -14.996 13.392 12.700
211 H ASP 33 H ASP 33 -10.398 11.283 13.850
212 HA ASP 33 HA ASP 33 -11.431 9.120 15.575
213 1HB ASP 33 HB2 ASP 33 -11.783 8.544 13.396
214 2HB ASP 33 HB3 ASP 33 -10.478 9.532 12.783
215 H ASN 34 H ASN 34 -8.587 10.902 15.094
216 HA ASN 34 HA ASN 34 -6.369 10.717 15.524
217 1HB ASN 34 HB2 ASN 34 -7.293 10.540 17.901
218 2HB ASN 34 HB3 ASN 34 -7.117 8.794 17.766
219 HD2 ASN 34 HD2 ASN 34 -5.654 11.300 19.234
220 HD2 ASN 34 HD2 ASN 34 -3.979 10.725 19.019
221 H SER 35 H SER 35 -5.988 9.866 13.446
222 HA SER 35 HA SER 35 -5.476 6.981 13.413
223 1HB SER 35 HB2 SER 35 -5.751 9.021 11.204
224 2HB SER 35 HB3 SER 35 -4.928 7.478 10.990
225 HG SER 35 HG SER 35 -7.657 7.569 12.009
226 H ASP 36 H ASP 36 -3.950 10.071 12.342
227 HA ASP 36 HA ASP 36 -1.572 8.835 11.880
228 1HB ASP 36 HB2 ASP 36 -0.641 10.708 11.411
229 2HB ASP 36 HB3 ASP 36 -2.321 11.033 11.064
230 H GLU 37 H GLU 37 -2.445 10.762 14.701
231 HA GLU 37 HA GLU 37 -0.051 10.471 16.121
232 1HB GLU 37 HB2 GLU 37 -2.728 11.092 17.361
233 2HB GLU 37 HB3 GLU 37 -1.112 11.581 17.887
234 1HG GLU 37 HG2 GLU 37 -2.488 12.424 15.323
235 2HG GLU 37 HG3 GLU 37 -2.340 13.381 16.801
236 H ALA 38 H ALA 38 -2.120 7.839 15.544
237 HA ALA 38 HA ALA 38 -1.036 6.503 17.934
238 1HB ALA 38 HB1 ALA 38 -3.497 6.429 17.680
239 2HB ALA 38 HB2 ALA 38 -3.320 5.772 16.044
240 3HB ALA 38 HB3 ALA 38 -2.783 4.818 17.445
241 HA PRO 39 HA PRO 39 1.980 4.875 15.174
242 1HB PRO 39 HB2 PRO 39 2.948 2.735 16.554
243 2HB PRO 39 HB3 PRO 39 3.068 4.411 17.160
244 1HG PRO 39 HG2 PRO 39 0.926 2.357 17.829
245 2HG PRO 39 HG3 PRO 39 1.948 3.292 18.972
246 1HD PRO 39 HD2 PRO 39 -0.536 4.138 18.299
247 2HD PRO 39 HD3 PRO 39 0.806 5.302 18.496
248 H ALA 40 H ALA 40 -0.808 3.921 14.740
249 HA ALA 40 HA ALA 40 -0.414 1.537 13.010
250 1HB ALA 40 HB1 ALA 40 -2.689 1.970 13.899
251 2HB ALA 40 HB2 ALA 40 -2.660 3.606 13.201
252 3HB ALA 40 HB3 ALA 40 -2.642 2.183 12.137
253 H LEU 41 H LEU 41 -0.049 5.027 13.177
254 HA LEU 41 HA LEU 41 1.065 5.106 10.427
255 1HB LEU 41 HB2 LEU 41 -1.180 6.179 10.805
256 2HB LEU 41 HB3 LEU 41 -0.417 7.256 11.952
257 HG LEU 41 HG LEU 41 0.684 7.020 9.145
258 HD1 LEU 41 HD1 LEU 41 -1.745 7.374 8.824
259 HD1 LEU 41 HD1 LEU 41 -1.630 8.878 9.758
260 HD1 LEU 41 HD1 LEU 41 -0.752 8.713 8.235
261 HD2 LEU 41 HD2 LEU 41 0.988 9.567 9.601
262 HD2 LEU 41 HD2 LEU 41 0.859 9.081 11.290
263 HD2 LEU 41 HD2 LEU 41 2.103 8.366 10.228
264 H CYS 42 H CYS 42 1.115 7.570 13.230
265 HA CYS 42 HA CYS 42 4.032 7.076 13.292
266 1HB CYS 42 HB2 CYS 42 3.281 9.002 11.842
267 2HB CYS 42 HB3 CYS 42 2.727 9.800 13.312
268 H HIS 43 H HIS 43 1.562 9.011 15.107
269 HA HIS 43 HA HIS 43 1.653 9.869 17.221
270 1HB HIS 43 HB2 HIS 43 1.260 7.421 17.742
271 2HB HIS 43 HB3 HIS 43 2.978 7.190 17.902
272 HD1 HIS 43 HD1 HIS 43 3.408 6.721 20.326
273 HD2 HIS 43 HD2 HIS 43 0.841 9.995 19.675
274 HE1 HIS 43 HE1 HIS 43 3.001 7.811 22.613
275 H GLN 44 H GLN 44 3.387 9.833 19.255
276 HA GLN 44 HA GLN 44 4.837 11.519 19.899
277 1HB GLN 44 HB2 GLN 44 5.728 8.752 19.671
278 2HB GLN 44 HB3 GLN 44 7.106 9.838 19.754
279 1HG GLN 44 HG2 GLN 44 4.792 9.871 21.737
280 2HG GLN 44 HG3 GLN 44 6.344 9.064 21.987
281 HE2 GLN 44 HE2 GLN 44 4.677 12.170 22.152
282 HE2 GLN 44 HE2 GLN 44 6.149 13.110 22.414
283 H HIS 45 H HIS 45 4.877 13.231 18.587
284 HA HIS 45 HA HIS 45 5.840 14.903 17.403
285 1HB HIS 45 HB2 HIS 45 8.517 13.629 17.990
286 2HB HIS 45 HB3 HIS 45 8.134 15.335 17.836
287 HD1 HIS 45 HD1 HIS 45 9.352 13.382 20.388
288 HD2 HIS 45 HD2 HIS 45 5.804 15.618 20.048
289 HE1 HIS 45 HE1 HIS 45 8.624 13.944 22.764