Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
504144 | 2djr RC | 10257 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 H GLY 1 2.204 -11.189 13.646
2 HA2 GLY 1 1HA GLY 1 4.025 -11.023 15.046
3 HA3 GLY 1 2HA GLY 1 4.078 -12.779 15.095
4 H SER 2 H SER 2 6.424 -11.450 15.097
5 HA SER 2 HA SER 2 7.441 -11.148 12.415
6 HB2 SER 2 1HB SER 2 8.181 -9.878 14.565
7 HB3 SER 2 2HB SER 2 9.174 -11.303 14.866
8 HG SER 2 HG SER 2 9.678 -9.264 13.243
9 H SER 3 H SER 3 7.092 -13.223 11.532
10 HA SER 3 HA SER 3 8.500 -15.475 12.730
11 HB2 SER 3 1HB SER 3 6.157 -15.633 11.721
12 HB3 SER 3 2HB SER 3 6.939 -15.502 10.146
13 HG SER 3 HG SER 3 7.693 -17.440 12.065
14 H GLY 4 H GLY 4 8.503 -13.611 9.706
15 HA2 GLY 4 1HA GLY 4 11.141 -14.791 9.092
16 HA3 GLY 4 2HA GLY 4 10.008 -14.223 7.875
17 H SER 5 H SER 5 10.759 -12.460 6.922
18 HA SER 5 HA SER 5 12.806 -10.835 7.761
19 HB2 SER 5 1HB SER 5 12.025 -9.196 6.129
20 HB3 SER 5 2HB SER 5 11.849 -10.824 5.474
21 HG SER 5 HG SER 5 9.745 -9.434 6.766
22 H SER 6 H SER 6 12.721 -8.511 8.378
23 HA SER 6 HA SER 6 10.517 -7.961 10.253
24 HB2 SER 6 1HB SER 6 12.815 -8.689 11.255
25 HB3 SER 6 2HB SER 6 13.322 -7.054 10.830
26 HG SER 6 HG SER 6 10.910 -7.321 12.192
27 H GLY 7 H GLY 7 9.724 -5.911 10.277
28 HA2 GLY 7 1HA GLY 7 10.594 -3.496 9.841
29 HA3 GLY 7 2HA GLY 7 10.769 -4.112 8.205
30 H SER 8 H SER 8 8.181 -4.808 10.513
31 HA SER 8 HA SER 8 6.217 -4.073 8.515
32 HB2 SER 8 1HB SER 8 6.180 -5.518 11.120
33 HB3 SER 8 2HB SER 8 4.685 -4.742 10.598
34 HG SER 8 HG SER 8 4.433 -6.279 9.201
35 H GLU 9 H GLU 9 7.879 -1.979 9.710
36 HA GLU 9 HA GLU 9 6.291 -0.496 11.561
37 HB2 GLU 9 1HB GLU 9 8.671 -0.150 11.541
38 HB3 GLU 9 2HB GLU 9 8.644 0.282 9.837
39 HG2 GLU 9 1HG GLU 9 7.074 2.195 10.613
40 HG3 GLU 9 2HG GLU 9 7.760 1.868 12.203
41 H ALA 10 H ALA 10 6.542 -0.649 8.086
42 HA ALA 10 HA ALA 10 5.389 1.763 7.343
43 HB1 ALA 10 1HB ALA 10 5.080 -0.928 6.015
44 HB2 ALA 10 2HB ALA 10 4.729 0.632 5.269
45 HB3 ALA 10 3HB ALA 10 6.381 0.231 5.737
46 H TRP 11 H TRP 11 3.906 -1.133 8.622
47 HA TRP 11 HA TRP 11 1.257 -0.754 7.909
48 HB2 TRP 11 1HB TRP 11 2.614 -2.058 10.230
49 HB3 TRP 11 2HB TRP 11 0.867 -1.844 10.287
50 HD1 TRP 11 HD TRP 11 3.396 -4.236 9.144
51 HE1 TRP 11 1HE TRP 11 2.367 -5.977 7.551
52 HE3 TRP 11 3HE TRP 11 -1.051 -1.912 8.165
53 HZ2 TRP 11 2HZ TRP 11 -0.014 -6.319 6.074
54 HZ3 TRP 11 3HZ TRP 11 -2.649 -3.012 6.651
55 HH2 TRP 11 HH TRP 11 -2.139 -5.170 5.628
56 H GLU 12 H GLU 12 3.191 0.961 10.228
57 HA GLU 12 HA GLU 12 1.197 2.071 11.839
58 HB2 GLU 12 1HB GLU 12 3.836 3.274 10.987
59 HB3 GLU 12 2HB GLU 12 2.837 3.866 12.307
60 HG2 GLU 12 1HG GLU 12 3.926 1.069 12.216
61 HG3 GLU 12 2HG GLU 12 4.795 2.418 12.946
62 H TYR 13 H TYR 13 1.852 2.567 8.550
63 HA TYR 13 HA TYR 13 0.376 5.113 8.545
64 HB2 TYR 13 1HB TYR 13 2.055 3.961 6.312
65 HB3 TYR 13 2HB TYR 13 1.368 5.579 6.396
66 HD1 TYR 13 1HD TYR 13 2.366 7.284 7.816
67 HD2 TYR 13 2HD TYR 13 4.037 3.378 7.586
68 HE1 TYR 13 1HE TYR 13 4.426 8.109 8.878
69 HE2 TYR 13 2HE TYR 13 6.101 4.191 8.648
70 HH TYR 13 HH TYR 13 6.761 7.524 9.068
71 H PHE 14 H PHE 14 -0.563 2.197 8.604
72 HA PHE 14 HA PHE 14 -2.680 2.572 6.654
73 HB2 PHE 14 1HB PHE 14 -0.939 0.098 6.633
74 HB3 PHE 14 2HB PHE 14 -2.406 0.323 5.686
75 HD1 PHE 14 1HD PHE 14 1.007 1.667 6.217
76 HD2 PHE 14 2HD PHE 14 -2.331 1.350 3.594
77 HE1 PHE 14 1HE PHE 14 2.336 2.677 4.409
78 HE2 PHE 14 2HE PHE 14 -1.006 2.359 1.782
79 HZ PHE 14 HZ PHE 14 1.330 3.023 2.188
80 H HIS 15 H HIS 15 -4.537 1.288 7.062
81 HA HIS 15 HA HIS 15 -4.519 -0.224 9.578
82 HB2 HIS 15 1HB HIS 15 -6.195 0.989 10.562
83 HB3 HIS 15 2HB HIS 15 -5.439 2.273 9.623
84 HD1 HIS 15 1HD HIS 15 -8.158 -0.313 8.931
85 HD2 HIS 15 2HD HIS 15 -7.320 3.714 8.345
86 HE1 HIS 15 1HE HIS 15 -10.167 0.627 7.746
87 H LEU 16 H LEU 16 -5.577 -2.107 9.469
88 HA LEU 16 HA LEU 16 -6.734 -2.927 6.976
89 HB2 LEU 16 1HB LEU 16 -6.402 -4.280 9.641
90 HB3 LEU 16 2HB LEU 16 -7.204 -5.052 8.275
91 HG LEU 16 HG LEU 16 -4.348 -4.085 8.234
92 HD11 LEU 16 1HD1 LEU 16 -4.706 -5.899 9.878
93 HD12 LEU 16 2HD1 LEU 16 -3.684 -6.379 8.524
94 HD13 LEU 16 3HD1 LEU 16 -5.368 -6.899 8.585
95 HD21 LEU 16 1HD2 LEU 16 -6.113 -5.549 6.314
96 HD22 LEU 16 2HD2 LEU 16 -4.368 -5.805 6.294
97 HD23 LEU 16 3HD2 LEU 16 -5.026 -4.191 6.024
98 H ALA 17 H ALA 17 -8.835 -3.162 6.439
99 HA ALA 17 HA ALA 17 -10.808 -2.049 8.278
100 HB1 ALA 17 1HB ALA 17 -12.220 -2.529 6.038
101 HB2 ALA 17 2HB ALA 17 -11.287 -1.057 6.310
102 HB3 ALA 17 3HB ALA 17 -10.601 -2.372 5.356
103 HA PRO 18 HA PRO 18 -12.740 -5.841 9.351
104 HB2 PRO 18 1HB PRO 18 -15.368 -5.159 9.359
105 HB3 PRO 18 2HB PRO 18 -14.230 -4.612 10.596
106 HG2 PRO 18 1HG PRO 18 -15.249 -3.160 8.185
107 HG3 PRO 18 2HG PRO 18 -15.022 -2.561 9.838
108 HD2 PRO 18 1HD PRO 18 -13.252 -2.061 7.851
109 HD3 PRO 18 2HD PRO 18 -12.757 -2.244 9.546
110 H ALA 19 H ALA 19 -13.888 -7.624 8.549
111 HA ALA 19 HA ALA 19 -13.882 -7.964 5.761
112 HB1 ALA 19 1HB ALA 19 -15.084 -9.573 7.996
113 HB2 ALA 19 2HB ALA 19 -15.202 -10.068 6.307
114 HB3 ALA 19 3HB ALA 19 -13.620 -9.901 7.068
115 H ARG 20 H ARG 20 -16.609 -7.588 8.023
116 HA ARG 20 HA ARG 20 -18.868 -7.362 7.548
117 HB2 ARG 20 1HB ARG 20 -19.268 -5.131 6.480
118 HB3 ARG 20 2HB ARG 20 -18.144 -5.099 7.832
119 HG2 ARG 20 1HG ARG 20 -17.152 -3.726 6.242
120 HG3 ARG 20 2HG ARG 20 -16.303 -5.263 6.061
121 HD2 ARG 20 1HD ARG 20 -17.453 -5.793 4.089
122 HD3 ARG 20 2HD ARG 20 -18.702 -4.586 4.391
123 HE ARG 20 HE ARG 20 -16.463 -3.096 4.147
124 HH11 ARG 20 2HH1 ARG 20 -17.902 -5.576 2.173
125 HH12 ARG 20 1HH1 ARG 20 -17.294 -4.928 0.686
126 HH21 ARG 20 2HH2 ARG 20 -15.656 -2.233 2.196
127 HH22 ARG 20 1HH2 ARG 20 -16.016 -3.027 0.700
128 H ALA 21 H ALA 21 -17.738 -9.226 5.752
129 HA ALA 21 HA ALA 21 -19.715 -9.245 3.727
130 HB1 ALA 21 1HB ALA 21 -18.276 -7.544 2.721
131 HB2 ALA 21 2HB ALA 21 -16.912 -8.662 2.776
132 HB3 ALA 21 3HB ALA 21 -18.304 -9.018 1.753
133 H GLY 22 H GLY 22 -19.113 -11.026 2.016
134 HA2 GLY 22 1HA GLY 22 -18.778 -13.435 3.407
135 HA3 GLY 22 2HA GLY 22 -18.699 -13.255 1.660
136 H HIS 23 H HIS 23 -16.470 -11.609 1.424
137 HA HIS 23 HA HIS 23 -14.380 -13.509 1.619
138 HB2 HIS 23 1HB HIS 23 -14.724 -11.410 0.037
139 HB3 HIS 23 2HB HIS 23 -13.770 -10.606 1.280
140 HD1 HIS 23 1HD HIS 23 -11.561 -12.415 1.916
141 HD2 HIS 23 2HD HIS 23 -13.059 -12.134 -1.949
142 HE1 HIS 23 1HE HIS 23 -9.717 -13.240 0.418
143 H HIS 24 H HIS 24 -12.907 -13.874 3.161
144 HA HIS 24 HA HIS 24 -13.192 -13.031 5.765
145 HB2 HIS 24 1HB HIS 24 -11.254 -14.191 6.232
146 HB3 HIS 24 2HB HIS 24 -11.678 -14.890 4.673
147 HD1 HIS 24 1HD HIS 24 -9.025 -13.062 6.412
148 HD2 HIS 24 2HD HIS 24 -10.106 -13.839 2.476
149 HE1 HIS 24 1HE HIS 24 -6.992 -12.515 5.036
150 HA PRO 25 HA PRO 25 -11.595 -8.956 6.090
151 HB2 PRO 25 1HB PRO 25 -10.476 -9.018 8.563
152 HB3 PRO 25 2HB PRO 25 -12.224 -9.012 8.300
153 HG2 PRO 25 1HG PRO 25 -10.406 -11.315 8.895
154 HG3 PRO 25 2HG PRO 25 -12.010 -10.955 9.559
155 HD2 PRO 25 1HD PRO 25 -11.622 -12.771 7.588
156 HD3 PRO 25 2HD PRO 25 -13.102 -11.798 7.712
157 H ASN 26 H ASN 26 -9.540 -7.730 6.737
158 HA ASN 26 HA ASN 26 -7.325 -7.299 6.439
159 HB2 ASN 26 1HB ASN 26 -7.210 -9.411 7.962
160 HB3 ASN 26 2HB ASN 26 -6.714 -10.239 6.489
161 HD21 ASN 26 1HD2 ASN 26 -5.119 -9.996 8.772
162 HD22 ASN 26 2HD2 ASN 26 -3.742 -9.030 8.375
163 H GLN 27 H GLN 27 -8.978 -7.548 4.189
164 HA GLN 27 HA GLN 27 -7.396 -8.982 2.197
165 HB2 GLN 27 1HB GLN 27 -9.236 -8.420 0.651
166 HB3 GLN 27 2HB GLN 27 -9.801 -9.278 2.078
167 HG2 GLN 27 1HG GLN 27 -9.856 -6.299 2.040
168 HG3 GLN 27 2HG GLN 27 -11.097 -7.208 1.178
169 HE21 GLN 27 1HE2 GLN 27 -10.635 -5.613 3.892
170 HE22 GLN 27 2HE2 GLN 27 -11.605 -6.526 4.992
171 H TYR 28 H TYR 28 -8.322 -5.720 3.118
172 HA TYR 28 HA TYR 28 -6.299 -4.694 1.246
173 HB2 TYR 28 1HB TYR 28 -9.131 -3.803 1.617
174 HB3 TYR 28 2HB TYR 28 -7.908 -2.611 1.193
175 HD1 TYR 28 2HD TYR 28 -9.429 -5.813 0.086
176 HD2 TYR 28 1HD TYR 28 -7.189 -2.372 -1.029
177 HE1 TYR 28 2HE TYR 28 -9.635 -6.453 -2.280
178 HE2 TYR 28 1HE TYR 28 -7.390 -3.001 -3.398
179 HH TYR 28 HH TYR 28 -9.146 -4.453 -4.774
180 H ALA 29 H ALA 29 -5.542 -2.485 1.835
181 HA ALA 29 HA ALA 29 -5.652 -2.034 4.744
182 HB1 ALA 29 1HB ALA 29 -3.207 -1.178 4.341
183 HB2 ALA 29 2HB ALA 29 -3.531 -2.895 4.588
184 HB3 ALA 29 3HB ALA 29 -3.279 -2.271 2.958
185 H THR 30 H THR 30 -6.158 -0.023 5.333
186 HA THR 30 HA THR 30 -6.418 2.010 3.254
187 HB THR 30 HB THR 30 -7.321 2.202 6.130
188 HG1 THR 30 1HG THR 30 -9.285 1.406 5.435
189 HG21 THR 30 1HG2 THR 30 -7.110 4.305 4.761
190 HG22 THR 30 2HG2 THR 30 -8.730 3.975 5.377
191 HG23 THR 30 3HG2 THR 30 -8.344 3.645 3.689
192 H CYS 31 H CYS 31 -4.786 3.360 2.928
193 HA CYS 31 HA CYS 31 -2.611 3.680 4.696
194 HB2 CYS 31 1HB CYS 31 -2.723 4.084 2.147
195 HB3 CYS 31 2HB CYS 31 -3.335 5.680 2.568
196 H ARG 32 H ARG 32 -2.489 4.818 6.505
197 HA ARG 32 HA ARG 32 -4.570 6.680 7.222
198 HB2 ARG 32 1HB ARG 32 -2.044 5.906 8.695
199 HB3 ARG 32 2HB ARG 32 -3.369 6.849 9.363
200 HG2 ARG 32 1HG ARG 32 -4.868 4.935 9.082
201 HG3 ARG 32 2HG ARG 32 -3.528 3.991 8.429
202 HD2 ARG 32 1HD ARG 32 -3.823 3.433 10.750
203 HD3 ARG 32 2HD ARG 32 -2.314 4.325 10.562
204 HE ARG 32 HE ARG 32 -3.207 6.057 11.792
205 HH11 ARG 32 2HH1 ARG 32 -5.692 3.751 11.002
206 HH12 ARG 32 1HH1 ARG 32 -6.860 4.445 12.077
207 HH21 ARG 32 2HH2 ARG 32 -4.735 6.980 13.212
208 HH22 ARG 32 1HH2 ARG 32 -6.315 6.282 13.333
209 H LEU 33 H LEU 33 -1.935 6.979 5.320
210 HA LEU 33 HA LEU 33 -1.086 9.596 6.272
211 HB2 LEU 33 1HB LEU 33 -0.134 7.699 4.169
212 HB3 LEU 33 2HB LEU 33 0.350 9.392 4.105
213 HG LEU 33 HG LEU 33 0.871 7.552 6.438
214 HD11 LEU 33 1HD1 LEU 33 3.053 7.244 5.662
215 HD12 LEU 33 2HD1 LEU 33 2.910 8.534 4.469
216 HD13 LEU 33 3HD1 LEU 33 2.046 7.015 4.233
217 HD21 LEU 33 1HD2 LEU 33 1.749 9.305 7.520
218 HD22 LEU 33 2HD2 LEU 33 0.788 10.279 6.408
219 HD23 LEU 33 3HD2 LEU 33 2.488 9.961 6.059
220 H CYS 34 H CYS 34 -2.418 8.194 3.279
221 HA CYS 34 HA CYS 34 -3.413 10.875 2.573
222 HB2 CYS 34 1HB CYS 34 -3.422 10.101 0.233
223 HB3 CYS 34 2HB CYS 34 -1.814 10.007 0.944
224 H GLY 35 H GLY 35 -4.220 7.450 2.775
225 HA2 GLY 35 1HA GLY 35 -6.414 6.818 3.573
226 HA3 GLY 35 2HA GLY 35 -7.067 8.217 2.733
227 H ARG 36 H ARG 36 -4.695 6.122 1.261
228 HA ARG 36 HA ARG 36 -6.739 5.283 -0.676
229 HB2 ARG 36 1HB ARG 36 -3.790 5.756 -0.860
230 HB3 ARG 36 2HB ARG 36 -4.552 4.638 -1.983
231 HG2 ARG 36 1HG ARG 36 -6.219 6.672 -2.297
232 HG3 ARG 36 2HG ARG 36 -4.802 7.581 -1.769
233 HD2 ARG 36 1HD ARG 36 -3.550 6.161 -3.545
234 HD3 ARG 36 2HD ARG 36 -5.162 5.875 -4.200
235 HE ARG 36 HE ARG 36 -4.511 8.651 -3.739
236 HH11 ARG 36 2HH1 ARG 36 -4.489 5.998 -5.994
237 HH12 ARG 36 1HH1 ARG 36 -4.425 7.018 -7.393
238 HH21 ARG 36 2HH2 ARG 36 -4.427 10.004 -5.574
239 HH22 ARG 36 1HH2 ARG 36 -4.389 9.296 -7.153
240 H GLN 37 H GLN 37 -7.057 3.149 -1.178
241 HA GLN 37 HA GLN 37 -6.277 1.237 0.813
242 HB2 GLN 37 1HB GLN 37 -7.762 0.837 -1.790
243 HB3 GLN 37 2HB GLN 37 -7.619 -0.350 -0.500
244 HG2 GLN 37 1HG GLN 37 -8.998 0.863 0.934
245 HG3 GLN 37 2HG GLN 37 -8.821 2.345 -0.003
246 HE21 GLN 37 1HE2 GLN 37 -11.260 2.040 0.431
247 HE22 GLN 37 2HE2 GLN 37 -12.143 1.272 -0.840
248 H VAL 38 H VAL 38 -4.775 -0.345 0.702
249 HA VAL 38 HA VAL 38 -3.327 -0.717 -1.829
250 HB VAL 38 HB VAL 38 -2.029 -0.366 0.877
251 HG11 VAL 38 1HG1 VAL 38 -0.428 -1.676 0.038
252 HG12 VAL 38 2HG1 VAL 38 -1.120 -1.623 -1.585
253 HG13 VAL 38 3HG1 VAL 38 -0.051 -0.331 -1.038
254 HG21 VAL 38 1HG2 VAL 38 -1.954 1.345 -1.606
255 HG22 VAL 38 2HG2 VAL 38 -2.726 1.751 -0.073
256 HG23 VAL 38 3HG2 VAL 38 -0.971 1.603 -0.164
257 H SER 39 H SER 39 -4.173 -2.721 -2.237
258 HA SER 39 HA SER 39 -4.490 -4.750 -0.285
259 HB2 SER 39 1HB SER 39 -4.985 -6.222 -2.141
260 HB3 SER 39 2HB SER 39 -5.730 -4.655 -2.455
261 HG SER 39 HG SER 39 -4.138 -4.198 -3.922
262 H ARG 40 H ARG 40 -3.374 -6.869 -0.355
263 HA ARG 40 HA ARG 40 -0.505 -6.542 -0.946
264 HB2 ARG 40 1HB ARG 40 -1.700 -8.180 1.295
265 HB3 ARG 40 2HB ARG 40 0.009 -7.900 0.992
266 HG2 ARG 40 1HG ARG 40 -0.418 -5.460 1.376
267 HG3 ARG 40 2HG ARG 40 -2.043 -5.902 1.904
268 HD2 ARG 40 1HD ARG 40 0.418 -7.128 3.113
269 HD3 ARG 40 2HD ARG 40 -0.257 -5.611 3.705
270 HE ARG 40 HE ARG 40 -2.033 -6.774 4.612
271 HH11 ARG 40 2HH1 ARG 40 -0.107 -8.877 2.614
272 HH12 ARG 40 1HH1 ARG 40 -0.878 -10.326 3.170
273 HH21 ARG 40 2HH2 ARG 40 -3.055 -8.675 5.352
274 HH22 ARG 40 1HH2 ARG 40 -2.555 -10.210 4.726
275 H GLY 41 H GLY 41 -2.637 -9.256 -0.036
276 HA2 GLY 41 1HA GLY 41 -3.232 -11.104 -1.345
277 HA3 GLY 41 2HA GLY 41 -2.138 -10.540 -2.600
278 HA PRO 42 HA PRO 42 -0.240 -14.206 -0.443
279 HB2 PRO 42 1HB PRO 42 0.302 -15.583 -2.719
280 HB3 PRO 42 2HB PRO 42 -1.243 -15.704 -1.868
281 HG2 PRO 42 1HG PRO 42 -0.532 -14.083 -4.282
282 HG3 PRO 42 2HG PRO 42 -1.988 -15.045 -3.970
283 HD2 PRO 42 1HD PRO 42 -1.931 -12.353 -3.684
284 HD3 PRO 42 2HD PRO 42 -2.950 -13.399 -2.674
285 H GLY 43 H GLY 43 1.958 -14.705 -0.327
286 HA2 GLY 43 1HA GLY 43 4.191 -14.152 -0.384
287 HA3 GLY 43 2HA GLY 43 3.962 -14.178 -2.126
288 H VAL 44 H VAL 44 3.477 -12.063 0.694
289 HA VAL 44 HA VAL 44 4.263 -9.790 -1.014
290 HB VAL 44 HB VAL 44 2.272 -9.798 1.258
291 HG11 VAL 44 1HG1 VAL 44 3.369 -7.753 1.490
292 HG12 VAL 44 2HG1 VAL 44 3.569 -7.555 -0.252
293 HG13 VAL 44 3HG1 VAL 44 1.976 -7.366 0.481
294 HG21 VAL 44 1HG2 VAL 44 1.568 -10.657 -1.024
295 HG22 VAL 44 2HG2 VAL 44 0.614 -9.332 -0.355
296 HG23 VAL 44 3HG2 VAL 44 1.813 -9.011 -1.608
297 H ASN 45 H ASN 45 4.284 -11.149 2.253
298 HA ASN 45 HA ASN 45 6.018 -9.173 3.346
299 HB2 ASN 45 1HB ASN 45 5.470 -11.981 4.336
300 HB3 ASN 45 2HB ASN 45 6.192 -10.674 5.270
301 HD21 ASN 45 1HD2 ASN 45 3.347 -12.220 4.405
302 HD22 ASN 45 2HD2 ASN 45 2.226 -11.070 5.041
303 H VAL 46 H VAL 46 7.567 -9.247 1.504
304 HA VAL 46 HA VAL 46 9.583 -11.361 1.911
305 HB VAL 46 HB VAL 46 10.321 -10.977 -0.402
306 HG11 VAL 46 1HG1 VAL 46 8.863 -12.792 -0.200
307 HG12 VAL 46 2HG1 VAL 46 7.465 -11.754 0.092
308 HG13 VAL 46 3HG1 VAL 46 8.180 -11.841 -1.519
309 HG21 VAL 46 1HG2 VAL 46 8.208 -9.694 -1.634
310 HG22 VAL 46 2HG2 VAL 46 8.488 -8.733 -0.182
311 HG23 VAL 46 3HG2 VAL 46 9.804 -9.010 -1.323
312 H GLY 47 H GLY 47 9.458 -9.007 3.493
313 HA2 GLY 47 1HA GLY 47 11.415 -7.895 4.344
314 HA3 GLY 47 2HA GLY 47 12.014 -7.779 2.695
315 H THR 48 H THR 48 10.602 -6.436 1.203
316 HA THR 48 HA THR 48 10.097 -3.903 2.532
317 HB THR 48 HB THR 48 10.022 -4.580 -0.415
318 HG1 THR 48 1HG THR 48 12.117 -4.319 -0.350
319 HG21 THR 48 1HG2 THR 48 8.734 -2.621 -0.105
320 HG22 THR 48 2HG2 THR 48 10.331 -2.063 -0.607
321 HG23 THR 48 3HG2 THR 48 9.860 -1.979 1.091
322 H THR 49 H THR 49 8.166 -4.529 3.654
323 HA THR 49 HA THR 49 5.876 -5.645 2.813
324 HB THR 49 HB THR 49 5.634 -3.002 4.212
325 HG1 THR 49 1HG THR 49 7.362 -3.884 5.282
326 HG21 THR 49 1HG2 THR 49 4.075 -5.448 3.920
327 HG22 THR 49 2HG2 THR 49 3.566 -3.836 4.424
328 HG23 THR 49 3HG2 THR 49 4.261 -4.950 5.601
329 H ALA 50 H ALA 50 4.473 -5.382 1.209
330 HA ALA 50 HA ALA 50 4.635 -3.817 -0.944
331 HB1 ALA 50 1HB ALA 50 1.870 -4.017 0.079
332 HB2 ALA 50 2HB ALA 50 2.540 -4.478 -1.486
333 HB3 ALA 50 3HB ALA 50 2.765 -5.528 -0.087
334 H LEU 51 H LEU 51 3.391 -2.778 2.172
335 HA LEU 51 HA LEU 51 2.250 -0.342 1.427
336 HB2 LEU 51 1HB LEU 51 3.733 -0.847 3.997
337 HB3 LEU 51 2HB LEU 51 2.420 0.296 3.718
338 HG LEU 51 HG LEU 51 2.105 -2.701 3.598
339 HD11 LEU 51 1HD1 LEU 51 1.519 -0.781 5.847
340 HD12 LEU 51 2HD1 LEU 51 2.719 -2.074 5.847
341 HD13 LEU 51 3HD1 LEU 51 1.000 -2.466 5.789
342 HD21 LEU 51 1HD2 LEU 51 0.509 -1.128 2.349
343 HD22 LEU 51 2HD2 LEU 51 -0.045 -0.638 3.951
344 HD23 LEU 51 3HD2 LEU 51 -0.193 -2.321 3.442
345 H TRP 52 H TRP 52 5.529 -0.938 2.701
346 HA TRP 52 HA TRP 52 6.637 1.511 2.672
347 HB2 TRP 52 1HB TRP 52 7.816 -1.091 1.708
348 HB3 TRP 52 2HB TRP 52 8.775 0.383 1.826
349 HD1 TRP 52 HD TRP 52 7.559 -2.493 3.861
350 HE1 TRP 52 1HE TRP 52 8.226 -2.175 6.327
351 HE3 TRP 52 3HE TRP 52 9.045 2.396 3.677
352 HZ2 TRP 52 2HZ TRP 52 9.247 -0.124 7.975
353 HZ3 TRP 52 3HZ TRP 52 9.852 3.461 5.742
354 HH2 TRP 52 HH TRP 52 9.950 2.226 7.846
355 H LYS 53 H LYS 53 6.418 -0.557 -0.223
356 HA LYS 53 HA LYS 53 7.563 1.057 -2.101
357 HB2 LYS 53 1HB LYS 53 5.293 -0.882 -2.206
358 HB3 LYS 53 2HB LYS 53 5.631 0.094 -3.630
359 HG2 LYS 53 1HG LYS 53 7.897 -0.768 -3.714
360 HG3 LYS 53 2HG LYS 53 7.613 -1.702 -2.243
361 HD2 LYS 53 1HD LYS 53 5.621 -2.699 -3.613
362 HD3 LYS 53 2HD LYS 53 6.548 -2.128 -5.003
363 HE2 LYS 53 1HE LYS 53 8.529 -3.359 -3.896
364 HE3 LYS 53 2HE LYS 53 7.290 -4.184 -2.951
365 HZ1 LYS 53 1HZ LYS 53 7.788 -5.497 -4.858
366 HZ2 LYS 53 2HZ LYS 53 7.576 -4.185 -5.904
367 HZ3 LYS 53 3HZ LYS 53 6.247 -4.837 -5.085
368 H HIS 54 H HIS 54 4.242 1.258 -0.883
369 HA HIS 54 HA HIS 54 3.492 3.421 -2.581
370 HB2 HIS 54 1HB HIS 54 1.815 1.923 -1.622
371 HB3 HIS 54 2HB HIS 54 2.258 2.439 0.002
372 HD1 HIS 54 1HD HIS 54 0.911 4.014 -3.191
373 HD2 HIS 54 2HD HIS 54 0.719 4.457 0.936
374 HE1 HIS 54 1HE HIS 54 -0.753 5.856 -2.790
375 H LEU 55 H LEU 55 4.769 3.173 0.691
376 HA LEU 55 HA LEU 55 4.404 5.865 1.438
377 HB2 LEU 55 1HB LEU 55 6.414 3.811 2.342
378 HB3 LEU 55 2HB LEU 55 6.213 5.390 3.099
379 HG LEU 55 HG LEU 55 3.986 3.372 2.920
380 HD11 LEU 55 1HD1 LEU 55 6.176 3.666 4.941
381 HD12 LEU 55 2HD1 LEU 55 5.539 2.203 4.189
382 HD13 LEU 55 3HD1 LEU 55 4.587 3.055 5.404
383 HD21 LEU 55 1HD2 LEU 55 4.163 5.357 5.089
384 HD22 LEU 55 2HD2 LEU 55 2.768 4.804 4.163
385 HD23 LEU 55 3HD2 LEU 55 3.862 6.007 3.478
386 H LYS 56 H LYS 56 7.103 4.183 -0.117
387 HA LYS 56 HA LYS 56 8.675 6.606 -0.285
388 HB2 LYS 56 1HB LYS 56 9.202 3.944 -1.612
389 HB3 LYS 56 2HB LYS 56 10.359 5.239 -1.331
390 HG2 LYS 56 1HG LYS 56 10.632 4.712 0.863
391 HG3 LYS 56 2HG LYS 56 8.989 4.087 1.032
392 HD2 LYS 56 1HD LYS 56 9.560 2.043 -0.018
393 HD3 LYS 56 2HD LYS 56 11.105 2.683 -0.584
394 HE2 LYS 56 1HE LYS 56 10.521 2.572 2.344
395 HE3 LYS 56 2HE LYS 56 11.019 1.109 1.495
396 HZ1 LYS 56 1HZ LYS 56 12.849 2.447 2.533
397 HZ2 LYS 56 2HZ LYS 56 12.555 3.639 1.370
398 HZ3 LYS 56 3HZ LYS 56 13.056 2.097 0.891
399 H SER 57 H SER 57 6.150 5.281 -2.025
400 HA SER 57 HA SER 57 7.003 6.113 -4.652
401 HB2 SER 57 1HB SER 57 5.520 4.203 -4.480
402 HB3 SER 57 2HB SER 57 4.322 5.165 -3.614
403 HG SER 57 HG SER 57 3.680 5.112 -5.724
404 H MET 58 H MET 58 4.781 7.289 -2.163
405 HA MET 58 HA MET 58 4.687 9.866 -3.587
406 HB2 MET 58 1HB MET 58 2.410 10.194 -2.781
407 HB3 MET 58 2HB MET 58 2.519 8.718 -3.730
408 HG2 MET 58 1HG MET 58 2.351 7.354 -1.838
409 HG3 MET 58 2HG MET 58 2.715 8.684 -0.742
410 HE1 MET 58 1HE MET 58 -0.148 7.626 -3.479
411 HE2 MET 58 2HE MET 58 -1.095 9.093 -3.228
412 HE3 MET 58 3HE MET 58 0.578 9.206 -3.776
413 H HIS 59 H HIS 59 4.646 8.200 -0.481
414 HA HIS 59 HA HIS 59 4.977 10.699 0.970
415 HB2 HIS 59 1HB HIS 59 4.967 7.869 2.036
416 HB3 HIS 59 2HB HIS 59 4.823 9.348 2.980
417 HD1 HIS 59 1HD HIS 59 2.591 10.838 2.232
418 HD2 HIS 59 2HD HIS 59 2.576 6.755 1.464
419 HE1 HIS 59 1HE HIS 59 0.173 10.223 1.915
420 H ARG 60 H ARG 60 7.034 9.579 -0.913
421 HA ARG 60 HA ARG 60 9.234 8.503 0.346
422 HB2 ARG 60 1HB ARG 60 9.395 8.690 -1.977
423 HB3 ARG 60 2HB ARG 60 8.951 10.392 -1.967
424 HG2 ARG 60 1HG ARG 60 11.477 9.599 -0.624
425 HG3 ARG 60 2HG ARG 60 11.428 9.603 -2.388
426 HD2 ARG 60 1HD ARG 60 10.373 11.965 -2.074
427 HD3 ARG 60 2HD ARG 60 11.108 11.875 -0.474
428 HE ARG 60 HE ARG 60 12.881 11.297 -2.686
429 HH11 ARG 60 2HH1 ARG 60 11.622 13.704 -0.509
430 HH12 ARG 60 1HH1 ARG 60 12.963 14.782 -0.718
431 HH21 ARG 60 2HH2 ARG 60 14.652 12.707 -2.969
432 HH22 ARG 60 1HH2 ARG 60 14.685 14.214 -2.118
433 H GLU 61 H GLU 61 8.206 11.880 0.224
434 HA GLU 61 HA GLU 61 10.505 12.947 1.492
435 HB2 GLU 61 1HB GLU 61 7.751 13.936 0.901
436 HB3 GLU 61 2HB GLU 61 8.730 14.827 2.057
437 HG2 GLU 61 1HG GLU 61 10.398 15.276 0.437
438 HG3 GLU 61 2HG GLU 61 9.683 14.142 -0.707
439 H GLU 62 H GLU 62 7.402 11.771 2.686
440 HA GLU 62 HA GLU 62 7.628 12.629 5.341
441 HB2 GLU 62 1HB GLU 62 5.515 11.838 4.584
442 HB3 GLU 62 2HB GLU 62 6.190 10.290 4.097
443 HG2 GLU 62 1HG GLU 62 5.152 9.709 6.042
444 HG3 GLU 62 2HG GLU 62 6.770 10.079 6.636
445 H LEU 63 H LEU 63 8.549 9.528 3.860
446 HA LEU 63 HA LEU 63 9.533 8.302 6.171
447 HB2 LEU 63 1HB LEU 63 10.504 7.933 3.341
448 HB3 LEU 63 2HB LEU 63 10.736 6.809 4.678
449 HG LEU 63 HG LEU 63 8.092 7.522 3.411
450 HD11 LEU 63 1HD1 LEU 63 8.160 5.518 2.271
451 HD12 LEU 63 2HD1 LEU 63 9.378 4.827 3.343
452 HD13 LEU 63 3HD1 LEU 63 9.837 6.055 2.164
453 HD21 LEU 63 1HD2 LEU 63 7.566 7.004 5.613
454 HD22 LEU 63 2HD2 LEU 63 8.855 5.808 5.746
455 HD23 LEU 63 3HD2 LEU 63 7.414 5.451 4.792
456 H GLU 64 H GLU 64 11.349 10.007 3.616
457 HA GLU 64 HA GLU 64 13.862 9.871 4.792
458 HB2 GLU 64 1HB GLU 64 12.628 11.903 2.942
459 HB3 GLU 64 2HB GLU 64 14.304 12.013 3.462
460 HG2 GLU 64 1HG GLU 64 13.365 9.449 2.300
461 HG3 GLU 64 2HG GLU 64 13.615 10.818 1.218
462 H LYS 65 H LYS 65 11.382 12.394 5.106
463 HA LYS 65 HA LYS 65 12.809 14.135 6.758
464 HB2 LYS 65 1HB LYS 65 10.532 14.459 5.584
465 HB3 LYS 65 2HB LYS 65 9.842 13.710 7.018
466 HG2 LYS 65 1HG LYS 65 10.445 15.477 8.389
467 HG3 LYS 65 2HG LYS 65 11.682 16.053 7.271
468 HD2 LYS 65 1HD LYS 65 9.934 17.596 7.051
469 HD3 LYS 65 2HD LYS 65 9.747 16.523 5.662
470 HE2 LYS 65 1HE LYS 65 8.301 15.850 8.172
471 HE3 LYS 65 2HE LYS 65 7.698 17.188 7.197
472 HZ1 LYS 65 1HZ LYS 65 6.760 14.906 6.713
473 HZ2 LYS 65 2HZ LYS 65 8.260 14.528 6.030
474 HZ3 LYS 65 3HZ LYS 65 7.327 15.781 5.381
475 H SER 66 H SER 66 10.466 11.610 7.681
476 HA SER 66 HA SER 66 10.763 11.899 10.452
477 HB2 SER 66 1HB SER 66 9.759 9.645 10.603
478 HB3 SER 66 2HB SER 66 8.892 10.672 9.462
479 HG SER 66 HG SER 66 9.538 9.449 7.845
480 H GLY 67 H GLY 67 11.592 10.000 11.854
481 HA2 GLY 67 1HA GLY 67 14.416 9.785 11.353
482 HA3 GLY 67 2HA GLY 67 13.552 9.156 12.748
483 H HIS 68 H HIS 68 13.358 8.521 9.246
484 HA HIS 68 HA HIS 68 13.905 5.688 9.827
485 HB2 HIS 68 1HB HIS 68 11.837 6.770 7.903
486 HB3 HIS 68 2HB HIS 68 12.267 5.071 8.075
487 HD1 HIS 68 1HD HIS 68 12.192 4.615 11.023
488 HD2 HIS 68 2HD HIS 68 9.422 7.026 9.079
489 HE1 HIS 68 1HE HIS 68 10.182 4.681 12.533
490 H GLY 69 H GLY 69 16.063 5.937 9.177
491 HA2 GLY 69 1HA GLY 69 16.758 7.071 6.640
492 HA3 GLY 69 2HA GLY 69 17.826 6.170 7.707
493 H GLN 70 H GLN 70 17.833 3.863 7.585
494 HA GLN 70 HA GLN 70 16.945 2.881 4.957
495 HB2 GLN 70 1HB GLN 70 18.754 1.272 5.062
496 HB3 GLN 70 2HB GLN 70 19.390 2.891 5.316
497 HG2 GLN 70 1HG GLN 70 19.863 2.509 7.532
498 HG3 GLN 70 2HG GLN 70 18.670 1.218 7.673
499 HE21 GLN 70 1HE2 GLN 70 19.708 -0.572 8.181
500 HE22 GLN 70 2HE2 GLN 70 21.140 -1.166 7.420
501 H SER 71 H SER 71 15.908 0.904 4.783
502 HA SER 71 HA SER 71 14.931 -0.224 7.326
503 HB2 SER 71 1HB SER 71 13.222 0.944 5.873
504 HB3 SER 71 2HB SER 71 13.488 -0.319 4.671
505 HG SER 71 HG SER 71 13.069 -1.685 6.761
506 H GLY 72 H GLY 72 17.338 -1.109 6.264
507 HA2 GLY 72 1HA GLY 72 16.771 -3.909 5.965
508 HA3 GLY 72 2HA GLY 72 17.395 -3.185 4.490
509 HA PRO 73 HA PRO 73 20.819 -2.994 7.948
510 HB2 PRO 73 1HB PRO 73 20.547 -4.890 9.873
511 HB3 PRO 73 2HB PRO 73 19.878 -3.261 10.027
512 HG2 PRO 73 1HG PRO 73 18.512 -5.802 9.227
513 HG3 PRO 73 2HG PRO 73 17.946 -4.522 10.316
514 HD2 PRO 73 1HD PRO 73 17.110 -4.726 7.749
515 HD3 PRO 73 2HD PRO 73 17.277 -3.165 8.578
516 H SER 74 H SER 74 19.356 -6.205 7.443
517 HA SER 74 HA SER 74 21.972 -7.139 6.454
518 HB2 SER 74 1HB SER 74 21.561 -9.296 7.353
519 HB3 SER 74 2HB SER 74 21.107 -8.167 8.630
520 HG SER 74 HG SER 74 18.906 -8.391 7.573
521 H SER 75 H SER 75 20.217 -5.859 4.746
522 HA SER 75 HA SER 75 19.615 -8.021 2.888
523 HB2 SER 75 1HB SER 75 17.473 -7.764 3.936
524 HB3 SER 75 2HB SER 75 17.567 -6.006 3.832
525 HG SER 75 HG SER 75 17.554 -6.282 1.517
526 H GLY 76 H GLY 76 19.753 -7.435 0.736
527 HA2 GLY 76 1HA GLY 76 20.241 -4.607 0.121
528 HA3 GLY 76 2HA GLY 76 21.485 -5.778 -0.290
Start of MODEL 2
1 H1 GLY 1 H GLY 1 -1.375 -11.864 14.208
2 HA2 GLY 1 1HA GLY 1 -1.382 -14.718 14.506
3 HA3 GLY 1 2HA GLY 1 -1.694 -14.219 12.850
4 H SER 2 H SER 2 -0.080 -12.530 12.016
5 HA SER 2 HA SER 2 2.456 -13.672 11.933
6 HB2 SER 2 1HB SER 2 1.327 -11.030 11.110
7 HB3 SER 2 2HB SER 2 3.079 -11.231 11.111
8 HG SER 2 HG SER 2 1.154 -12.721 9.663
9 H SER 3 H SER 3 4.424 -13.168 12.877
10 HA SER 3 HA SER 3 4.478 -11.184 15.017
11 HB2 SER 3 1HB SER 3 4.934 -14.139 15.400
12 HB3 SER 3 2HB SER 3 5.626 -12.945 16.497
13 HG SER 3 HG SER 3 3.585 -12.293 17.062
14 H GLY 4 H GLY 4 6.347 -10.101 15.054
15 HA2 GLY 4 1HA GLY 4 8.489 -9.466 14.528
16 HA3 GLY 4 2HA GLY 4 8.897 -11.172 14.641
17 H SER 5 H SER 5 7.926 -8.584 12.497
18 HA SER 5 HA SER 5 8.676 -10.278 10.204
19 HB2 SER 5 1HB SER 5 6.374 -9.743 9.944
20 HB3 SER 5 2HB SER 5 6.635 -8.064 10.415
21 HG SER 5 HG SER 5 8.071 -8.951 8.217
22 H SER 6 H SER 6 9.996 -9.405 8.610
23 HA SER 6 HA SER 6 11.863 -7.445 9.503
24 HB2 SER 6 1HB SER 6 12.460 -9.371 8.031
25 HB3 SER 6 2HB SER 6 11.556 -8.606 6.724
26 HG SER 6 HG SER 6 12.993 -6.855 6.831
27 H GLY 7 H GLY 7 12.036 -5.322 9.026
28 HA2 GLY 7 1HA GLY 7 11.150 -3.232 8.546
29 HA3 GLY 7 2HA GLY 7 11.260 -3.859 6.908
30 H SER 8 H SER 8 9.096 -4.363 9.701
31 HA SER 8 HA SER 8 6.825 -4.003 7.858
32 HB2 SER 8 1HB SER 8 5.530 -5.477 9.296
33 HB3 SER 8 2HB SER 8 7.025 -6.287 8.826
34 HG SER 8 HG SER 8 7.724 -5.157 10.975
35 H GLU 9 H GLU 9 8.206 -1.864 9.201
36 HA GLU 9 HA GLU 9 6.428 -1.053 11.359
37 HB2 GLU 9 1HB GLU 9 7.941 0.779 11.715
38 HB3 GLU 9 2HB GLU 9 8.890 -0.686 11.507
39 HG2 GLU 9 1HG GLU 9 9.700 -0.036 9.456
40 HG3 GLU 9 2HG GLU 9 8.352 1.058 9.151
41 H ALA 10 H ALA 10 6.671 -0.714 7.997
42 HA ALA 10 HA ALA 10 5.679 1.871 7.573
43 HB1 ALA 10 1HB ALA 10 5.893 -0.606 5.989
44 HB2 ALA 10 2HB ALA 10 4.684 0.558 5.447
45 HB3 ALA 10 3HB ALA 10 6.373 1.044 5.592
46 H TRP 11 H TRP 11 4.175 -0.830 8.949
47 HA TRP 11 HA TRP 11 1.519 -0.528 8.100
48 HB2 TRP 11 1HB TRP 11 2.818 -1.728 10.518
49 HB3 TRP 11 2HB TRP 11 1.065 -1.559 10.469
50 HD1 TRP 11 HD TRP 11 3.692 -3.945 9.599
51 HE1 TRP 11 1HE TRP 11 2.807 -5.763 8.007
52 HE3 TRP 11 3HE TRP 11 -0.698 -1.730 8.198
53 HZ2 TRP 11 2HZ TRP 11 0.547 -6.200 6.373
54 HZ3 TRP 11 3HZ TRP 11 -2.164 -2.914 6.616
55 HH2 TRP 11 HH TRP 11 -1.552 -5.102 5.723
56 H GLU 12 H GLU 12 3.439 1.300 10.321
57 HA GLU 12 HA GLU 12 1.445 2.455 11.907
58 HB2 GLU 12 1HB GLU 12 4.105 3.560 10.994
59 HB3 GLU 12 2HB GLU 12 3.089 4.330 12.205
60 HG2 GLU 12 1HG GLU 12 4.095 1.514 12.472
61 HG3 GLU 12 2HG GLU 12 4.981 2.915 13.071
62 H TYR 13 H TYR 13 1.999 2.766 8.597
63 HA TYR 13 HA TYR 13 0.496 5.298 8.495
64 HB2 TYR 13 1HB TYR 13 2.184 4.143 6.275
65 HB3 TYR 13 2HB TYR 13 1.513 5.766 6.382
66 HD1 TYR 13 1HD TYR 13 2.470 7.393 7.996
67 HD2 TYR 13 2HD TYR 13 4.248 3.585 7.331
68 HE1 TYR 13 1HE TYR 13 4.550 8.188 9.042
69 HE2 TYR 13 2HE TYR 13 6.332 4.369 8.376
70 HH TYR 13 HH TYR 13 6.541 7.106 10.235
71 H PHE 14 H PHE 14 -0.350 2.355 8.641
72 HA PHE 14 HA PHE 14 -2.455 2.598 6.654
73 HB2 PHE 14 1HB PHE 14 -0.589 0.219 6.743
74 HB3 PHE 14 2HB PHE 14 -2.101 0.268 5.841
75 HD1 PHE 14 1HD PHE 14 1.235 1.845 6.135
76 HD2 PHE 14 2HD PHE 14 -2.196 1.205 3.698
77 HE1 PHE 14 1HE PHE 14 2.420 2.825 4.214
78 HE2 PHE 14 2HE PHE 14 -1.016 2.183 1.774
79 HZ PHE 14 HZ PHE 14 1.295 2.994 2.030
80 H HIS 15 H HIS 15 -4.283 1.286 7.090
81 HA HIS 15 HA HIS 15 -4.264 -0.204 9.608
82 HB2 HIS 15 1HB HIS 15 -5.889 1.036 10.656
83 HB3 HIS 15 2HB HIS 15 -5.079 2.314 9.754
84 HD1 HIS 15 1HD HIS 15 -7.975 -0.081 9.101
85 HD2 HIS 15 2HD HIS 15 -6.853 3.866 8.450
86 HE1 HIS 15 1HE HIS 15 -9.934 0.993 7.947
87 H LEU 16 H LEU 16 -5.347 -2.063 9.459
88 HA LEU 16 HA LEU 16 -6.549 -2.848 7.007
89 HB2 LEU 16 1HB LEU 16 -6.603 -4.177 9.713
90 HB3 LEU 16 2HB LEU 16 -7.109 -4.926 8.200
91 HG LEU 16 HG LEU 16 -4.303 -3.953 8.705
92 HD11 LEU 16 1HD1 LEU 16 -4.621 -5.628 10.329
93 HD12 LEU 16 2HD1 LEU 16 -3.822 -6.425 8.974
94 HD13 LEU 16 3HD1 LEU 16 -5.555 -6.636 9.222
95 HD21 LEU 16 1HD2 LEU 16 -3.766 -4.815 6.685
96 HD22 LEU 16 2HD2 LEU 16 -5.468 -4.495 6.352
97 HD23 LEU 16 3HD2 LEU 16 -4.947 -6.119 6.803
98 H ALA 17 H ALA 17 -8.676 -3.145 6.461
99 HA ALA 17 HA ALA 17 -10.613 -1.709 8.109
100 HB1 ALA 17 1HB ALA 17 -12.059 -1.816 6.119
101 HB2 ALA 17 2HB ALA 17 -10.497 -1.072 5.777
102 HB3 ALA 17 3HB ALA 17 -10.809 -2.735 5.280
103 HA PRO 18 HA PRO 18 -12.491 -5.391 9.636
104 HB2 PRO 18 1HB PRO 18 -14.935 -4.384 10.256
105 HB3 PRO 18 2HB PRO 18 -13.486 -4.046 11.211
106 HG2 PRO 18 1HG PRO 18 -14.814 -2.361 9.123
107 HG3 PRO 18 2HG PRO 18 -14.145 -1.877 10.692
108 HD2 PRO 18 1HD PRO 18 -12.813 -1.508 8.363
109 HD3 PRO 18 2HD PRO 18 -11.982 -1.835 9.898
110 H ALA 19 H ALA 19 -14.028 -6.970 9.090
111 HA ALA 19 HA ALA 19 -14.668 -7.211 6.376
112 HB1 ALA 19 1HB ALA 19 -16.432 -8.843 7.896
113 HB2 ALA 19 2HB ALA 19 -14.981 -9.312 7.009
114 HB3 ALA 19 3HB ALA 19 -14.861 -8.819 8.698
115 H ARG 20 H ARG 20 -15.691 -5.099 6.019
116 HA ARG 20 HA ARG 20 -18.526 -5.067 6.816
117 HB2 ARG 20 1HB ARG 20 -18.481 -2.656 6.452
118 HB3 ARG 20 2HB ARG 20 -17.237 -3.128 7.602
119 HG2 ARG 20 1HG ARG 20 -16.027 -1.706 6.317
120 HG3 ARG 20 2HG ARG 20 -15.754 -3.197 5.413
121 HD2 ARG 20 1HD ARG 20 -16.325 -1.608 3.787
122 HD3 ARG 20 2HD ARG 20 -17.799 -2.541 4.041
123 HE ARG 20 HE ARG 20 -18.100 -0.470 5.743
124 HH11 ARG 20 2HH1 ARG 20 -17.305 -0.666 2.359
125 HH12 ARG 20 1HH1 ARG 20 -18.037 0.854 1.965
126 HH21 ARG 20 2HH2 ARG 20 -19.066 1.533 5.237
127 HH22 ARG 20 1HH2 ARG 20 -19.037 2.105 3.603
128 H ALA 21 H ALA 21 -16.286 -4.936 4.144
129 HA ALA 21 HA ALA 21 -18.237 -4.265 2.159
130 HB1 ALA 21 1HB ALA 21 -16.392 -5.067 0.583
131 HB2 ALA 21 2HB ALA 21 -16.041 -3.673 1.606
132 HB3 ALA 21 3HB ALA 21 -15.409 -5.263 2.035
133 H GLY 22 H GLY 22 -16.544 -7.279 3.035
134 HA2 GLY 22 1HA GLY 22 -18.727 -8.968 2.779
135 HA3 GLY 22 2HA GLY 22 -17.981 -8.893 1.189
136 H HIS 23 H HIS 23 -16.084 -9.962 0.809
137 HA HIS 23 HA HIS 23 -15.451 -12.259 2.081
138 HB2 HIS 23 1HB HIS 23 -13.287 -10.485 0.954
139 HB3 HIS 23 2HB HIS 23 -13.345 -12.245 0.975
140 HD1 HIS 23 1HD HIS 23 -15.634 -13.145 -0.446
141 HD2 HIS 23 2HD HIS 23 -13.888 -9.522 -1.486
142 HE1 HIS 23 1HE HIS 23 -16.406 -12.677 -2.793
143 H HIS 24 H HIS 24 -13.920 -12.950 3.622
144 HA HIS 24 HA HIS 24 -13.864 -11.772 6.044
145 HB2 HIS 24 1HB HIS 24 -12.256 -13.295 6.664
146 HB3 HIS 24 2HB HIS 24 -12.788 -14.019 5.150
147 HD1 HIS 24 1HD HIS 24 -9.814 -13.607 6.815
148 HD2 HIS 24 2HD HIS 24 -11.001 -12.581 2.968
149 HE1 HIS 24 1HE HIS 24 -7.688 -13.396 5.490
150 HA PRO 25 HA PRO 25 -11.394 -8.146 5.995
151 HB2 PRO 25 1HB PRO 25 -10.294 -8.211 8.476
152 HB3 PRO 25 2HB PRO 25 -11.999 -7.844 8.191
153 HG2 PRO 25 1HG PRO 25 -10.732 -10.422 9.032
154 HG3 PRO 25 2HG PRO 25 -12.211 -9.653 9.637
155 HD2 PRO 25 1HD PRO 25 -12.254 -11.694 7.858
156 HD3 PRO 25 2HD PRO 25 -13.479 -10.409 7.867
157 H ASN 26 H ASN 26 -9.052 -7.454 6.933
158 HA ASN 26 HA ASN 26 -6.802 -7.565 6.621
159 HB2 ASN 26 1HB ASN 26 -7.484 -10.439 7.142
160 HB3 ASN 26 2HB ASN 26 -5.845 -10.001 6.670
161 HD21 ASN 26 1HD2 ASN 26 -8.270 -9.809 9.131
162 HD22 ASN 26 2HD2 ASN 26 -7.248 -9.196 10.382
163 H GLN 27 H GLN 27 -8.317 -7.248 4.342
164 HA GLN 27 HA GLN 27 -6.887 -8.882 2.351
165 HB2 GLN 27 1HB GLN 27 -8.744 -8.303 0.800
166 HB3 GLN 27 2HB GLN 27 -9.262 -9.247 2.190
167 HG2 GLN 27 1HG GLN 27 -10.057 -7.191 3.269
168 HG3 GLN 27 2HG GLN 27 -9.580 -6.274 1.841
169 HE21 GLN 27 1HE2 GLN 27 -10.618 -6.856 -0.192
170 HE22 GLN 27 2HE2 GLN 27 -12.252 -7.416 -0.166
171 H TYR 28 H TYR 28 -7.994 -5.626 3.157
172 HA TYR 28 HA TYR 28 -5.926 -4.566 1.350
173 HB2 TYR 28 1HB TYR 28 -8.801 -3.791 1.606
174 HB3 TYR 28 2HB TYR 28 -7.620 -2.540 1.232
175 HD1 TYR 28 2HD TYR 28 -8.665 -5.940 0.094
176 HD2 TYR 28 1HD TYR 28 -7.090 -2.138 -0.984
177 HE1 TYR 28 2HE TYR 28 -8.738 -6.589 -2.277
178 HE2 TYR 28 1HE TYR 28 -7.160 -2.775 -3.359
179 HH TYR 28 HH TYR 28 -8.821 -5.532 -4.472
180 H ALA 29 H ALA 29 -4.965 -2.580 1.986
181 HA ALA 29 HA ALA 29 -5.240 -2.021 4.867
182 HB1 ALA 29 1HB ALA 29 -2.870 -1.148 4.655
183 HB2 ALA 29 2HB ALA 29 -3.079 -2.893 4.510
184 HB3 ALA 29 3HB ALA 29 -2.836 -1.911 3.065
185 H THR 30 H THR 30 -5.784 -0.024 5.489
186 HA THR 30 HA THR 30 -6.194 1.996 3.420
187 HB THR 30 HB THR 30 -7.038 2.098 6.321
188 HG1 THR 30 1HG THR 30 -8.894 1.148 5.711
189 HG21 THR 30 1HG2 THR 30 -8.424 3.564 4.136
190 HG22 THR 30 2HG2 THR 30 -6.872 4.190 4.694
191 HG23 THR 30 3HG2 THR 30 -8.208 4.001 5.830
192 H CYS 31 H CYS 31 -4.496 3.260 3.023
193 HA CYS 31 HA CYS 31 -2.350 3.724 4.764
194 HB2 CYS 31 1HB CYS 31 -2.489 4.069 2.215
195 HB3 CYS 31 2HB CYS 31 -3.165 5.649 2.598
196 H ARG 32 H ARG 32 -2.325 4.826 6.598
197 HA ARG 32 HA ARG 32 -4.416 6.678 7.273
198 HB2 ARG 32 1HB ARG 32 -1.876 6.066 8.792
199 HB3 ARG 32 2HB ARG 32 -3.319 6.845 9.427
200 HG2 ARG 32 1HG ARG 32 -4.556 4.711 8.874
201 HG3 ARG 32 2HG ARG 32 -2.974 3.982 8.593
202 HD2 ARG 32 1HD ARG 32 -3.435 3.449 10.812
203 HD3 ARG 32 2HD ARG 32 -2.384 4.859 10.935
204 HE ARG 32 HE ARG 32 -5.210 5.450 10.936
205 HH11 ARG 32 2HH1 ARG 32 -2.395 4.728 12.853
206 HH12 ARG 32 1HH1 ARG 32 -3.033 5.445 14.296
207 HH21 ARG 32 2HH2 ARG 32 -6.061 6.397 12.829
208 HH22 ARG 32 1HH2 ARG 32 -5.119 6.393 14.281
209 H LEU 33 H LEU 33 -1.839 7.024 5.336
210 HA LEU 33 HA LEU 33 -1.019 9.661 6.275
211 HB2 LEU 33 1HB LEU 33 -0.007 7.716 4.263
212 HB3 LEU 33 2HB LEU 33 0.382 9.422 4.051
213 HG LEU 33 HG LEU 33 1.075 7.746 6.464
214 HD11 LEU 33 1HD1 LEU 33 3.416 8.146 5.622
215 HD12 LEU 33 2HD1 LEU 33 2.691 8.684 4.107
216 HD13 LEU 33 3HD1 LEU 33 2.438 7.031 4.668
217 HD21 LEU 33 1HD2 LEU 33 2.486 9.726 7.036
218 HD22 LEU 33 2HD2 LEU 33 0.749 10.013 7.140
219 HD23 LEU 33 3HD2 LEU 33 1.661 10.615 5.755
220 H CYS 34 H CYS 34 -2.325 8.196 3.301
221 HA CYS 34 HA CYS 34 -3.416 10.840 2.593
222 HB2 CYS 34 1HB CYS 34 -3.292 10.163 0.250
223 HB3 CYS 34 2HB CYS 34 -1.707 10.043 1.007
224 H GLY 35 H GLY 35 -4.046 7.408 2.888
225 HA2 GLY 35 1HA GLY 35 -6.220 6.651 3.578
226 HA3 GLY 35 2HA GLY 35 -6.924 8.000 2.699
227 H ARG 36 H ARG 36 -4.383 6.158 1.232
228 HA ARG 36 HA ARG 36 -6.224 5.296 -0.844
229 HB2 ARG 36 1HB ARG 36 -3.244 5.419 -0.568
230 HB3 ARG 36 2HB ARG 36 -3.958 4.377 -1.792
231 HG2 ARG 36 1HG ARG 36 -4.870 7.200 -1.649
232 HG3 ARG 36 2HG ARG 36 -3.272 6.862 -2.318
233 HD2 ARG 36 1HD ARG 36 -4.126 5.661 -4.097
234 HD3 ARG 36 2HD ARG 36 -5.631 5.290 -3.256
235 HE ARG 36 HE ARG 36 -5.068 7.604 -4.854
236 HH11 ARG 36 2HH1 ARG 36 -6.987 6.351 -2.234
237 HH12 ARG 36 1HH1 ARG 36 -8.268 7.497 -2.452
238 HH21 ARG 36 2HH2 ARG 36 -6.747 9.119 -5.150
239 HH22 ARG 36 1HH2 ARG 36 -8.131 9.070 -4.111
240 H GLN 37 H GLN 37 -6.664 3.185 -1.392
241 HA GLN 37 HA GLN 37 -6.274 1.243 0.727
242 HB2 GLN 37 1HB GLN 37 -7.797 0.996 -1.872
243 HB3 GLN 37 2HB GLN 37 -7.844 -0.146 -0.536
244 HG2 GLN 37 1HG GLN 37 -8.840 1.555 0.895
245 HG3 GLN 37 2HG GLN 37 -8.776 2.714 -0.432
246 HE21 GLN 37 1HE2 GLN 37 -11.152 2.498 0.525
247 HE22 GLN 37 2HE2 GLN 37 -12.188 1.499 -0.430
248 H VAL 38 H VAL 38 -4.601 -0.090 0.753
249 HA VAL 38 HA VAL 38 -3.432 -0.936 -1.818
250 HB VAL 38 HB VAL 38 -1.956 -0.452 0.774
251 HG11 VAL 38 1HG1 VAL 38 -0.437 -1.860 -0.037
252 HG12 VAL 38 2HG1 VAL 38 -1.303 -2.008 -1.567
253 HG13 VAL 38 3HG1 VAL 38 -0.146 -0.697 -1.330
254 HG21 VAL 38 1HG2 VAL 38 -0.775 1.208 -0.919
255 HG22 VAL 38 2HG2 VAL 38 -2.364 1.166 -1.684
256 HG23 VAL 38 3HG2 VAL 38 -2.208 1.678 -0.004
257 H SER 39 H SER 39 -3.700 -3.030 -2.168
258 HA SER 39 HA SER 39 -4.053 -4.825 0.131
259 HB2 SER 39 1HB SER 39 -5.025 -6.402 -1.553
260 HB3 SER 39 2HB SER 39 -5.913 -4.885 -1.412
261 HG SER 39 HG SER 39 -5.655 -5.202 -3.562
262 H ARG 40 H ARG 40 -2.294 -5.890 0.728
263 HA ARG 40 HA ARG 40 0.028 -6.145 -0.858
264 HB2 ARG 40 1HB ARG 40 0.797 -7.700 0.932
265 HB3 ARG 40 2HB ARG 40 0.214 -6.156 1.539
266 HG2 ARG 40 1HG ARG 40 -2.023 -7.371 1.884
267 HG3 ARG 40 2HG ARG 40 -1.077 -8.850 1.705
268 HD2 ARG 40 1HD ARG 40 -0.311 -6.684 3.641
269 HD3 ARG 40 2HD ARG 40 -1.441 -7.967 4.072
270 HE ARG 40 HE ARG 40 1.073 -8.886 2.992
271 HH11 ARG 40 2HH1 ARG 40 -0.702 -8.012 5.857
272 HH12 ARG 40 1HH1 ARG 40 0.307 -8.933 6.922
273 HH21 ARG 40 2HH2 ARG 40 2.409 -10.103 4.384
274 HH22 ARG 40 1HH2 ARG 40 2.077 -10.122 6.083
275 H GLY 41 H GLY 41 -2.535 -8.453 -0.008
276 HA2 GLY 41 1HA GLY 41 -3.189 -10.416 -1.002
277 HA3 GLY 41 2HA GLY 41 -2.411 -9.820 -2.461
278 HA PRO 42 HA PRO 42 -0.153 -13.593 -0.881
279 HB2 PRO 42 1HB PRO 42 -0.305 -14.986 -3.206
280 HB3 PRO 42 2HB PRO 42 -1.558 -15.055 -1.961
281 HG2 PRO 42 1HG PRO 42 -1.488 -13.458 -4.492
282 HG3 PRO 42 2HG PRO 42 -2.833 -14.370 -3.781
283 HD2 PRO 42 1HD PRO 42 -2.611 -11.682 -3.545
284 HD3 PRO 42 2HD PRO 42 -3.345 -12.694 -2.285
285 H GLY 43 H GLY 43 0.147 -11.277 -3.372
286 HA2 GLY 43 1HA GLY 43 2.713 -12.231 -4.334
287 HA3 GLY 43 2HA GLY 43 1.887 -10.764 -4.838
288 H VAL 44 H VAL 44 2.281 -11.369 -1.457
289 HA VAL 44 HA VAL 44 4.597 -9.565 -1.350
290 HB VAL 44 HB VAL 44 2.091 -9.282 0.312
291 HG11 VAL 44 1HG1 VAL 44 4.511 -7.508 0.445
292 HG12 VAL 44 2HG1 VAL 44 3.152 -7.608 1.567
293 HG13 VAL 44 3HG1 VAL 44 4.329 -8.920 1.486
294 HG21 VAL 44 1HG2 VAL 44 3.318 -7.191 -1.453
295 HG22 VAL 44 2HG2 VAL 44 2.187 -8.381 -2.095
296 HG23 VAL 44 3HG2 VAL 44 1.676 -7.281 -0.816
297 H ASN 45 H ASN 45 6.162 -10.305 -0.075
298 HA ASN 45 HA ASN 45 5.481 -12.040 2.185
299 HB2 ASN 45 1HB ASN 45 7.763 -12.738 0.344
300 HB3 ASN 45 2HB ASN 45 7.020 -13.735 1.591
301 HD21 ASN 45 1HD2 ASN 45 4.553 -13.998 1.191
302 HD22 ASN 45 2HD2 ASN 45 4.129 -14.466 -0.417
303 H VAL 46 H VAL 46 7.411 -12.390 3.627
304 HA VAL 46 HA VAL 46 8.362 -10.172 4.776
305 HB VAL 46 HB VAL 46 9.946 -12.714 4.383
306 HG11 VAL 46 1HG1 VAL 46 11.576 -11.233 5.082
307 HG12 VAL 46 2HG1 VAL 46 10.448 -10.285 6.053
308 HG13 VAL 46 3HG1 VAL 46 10.980 -11.871 6.614
309 HG21 VAL 46 1HG2 VAL 46 7.977 -13.293 5.499
310 HG22 VAL 46 2HG2 VAL 46 9.142 -13.045 6.800
311 HG23 VAL 46 3HG2 VAL 46 7.954 -11.795 6.430
312 H GLY 47 H GLY 47 9.554 -8.475 4.216
313 HA2 GLY 47 1HA GLY 47 11.975 -8.199 3.187
314 HA3 GLY 47 2HA GLY 47 11.077 -8.581 1.725
315 H THR 48 H THR 48 9.310 -7.145 1.124
316 HA THR 48 HA THR 48 9.552 -4.442 2.255
317 HB THR 48 HB THR 48 9.484 -5.085 -0.700
318 HG1 THR 48 1HG THR 48 11.567 -5.299 -0.176
319 HG21 THR 48 1HG2 THR 48 8.692 -3.022 -0.987
320 HG22 THR 48 2HG2 THR 48 10.153 -2.389 -0.227
321 HG23 THR 48 3HG2 THR 48 8.727 -2.731 0.752
322 H THR 49 H THR 49 7.582 -4.737 3.334
323 HA THR 49 HA THR 49 5.218 -5.753 2.461
324 HB THR 49 HB THR 49 5.057 -3.127 3.867
325 HG1 THR 49 1HG THR 49 5.933 -3.982 5.724
326 HG21 THR 49 1HG2 THR 49 3.689 -4.863 5.371
327 HG22 THR 49 2HG2 THR 49 3.638 -5.731 3.836
328 HG23 THR 49 3HG2 THR 49 2.996 -4.092 3.945
329 H ALA 50 H ALA 50 3.874 -5.365 0.833
330 HA ALA 50 HA ALA 50 4.198 -3.735 -1.269
331 HB1 ALA 50 1HB ALA 50 2.141 -5.333 -0.366
332 HB2 ALA 50 2HB ALA 50 1.387 -3.747 -0.531
333 HB3 ALA 50 3HB ALA 50 2.199 -4.485 -1.912
334 H LEU 51 H LEU 51 2.962 -2.761 1.858
335 HA LEU 51 HA LEU 51 1.912 -0.257 1.171
336 HB2 LEU 51 1HB LEU 51 3.291 -0.924 3.761
337 HB3 LEU 51 2HB LEU 51 2.039 0.286 3.490
338 HG LEU 51 HG LEU 51 1.596 -2.686 3.237
339 HD11 LEU 51 1HD1 LEU 51 0.229 -2.083 5.419
340 HD12 LEU 51 2HD1 LEU 51 1.488 -0.858 5.574
341 HD13 LEU 51 3HD1 LEU 51 1.925 -2.565 5.487
342 HD21 LEU 51 1HD2 LEU 51 -0.354 -2.109 2.353
343 HD22 LEU 51 2HD2 LEU 51 0.065 -0.401 2.489
344 HD23 LEU 51 3HD2 LEU 51 -0.749 -1.220 3.824
345 H TRP 52 H TRP 52 5.171 -1.164 2.257
346 HA TRP 52 HA TRP 52 6.358 1.304 2.418
347 HB2 TRP 52 1HB TRP 52 7.463 -1.338 1.472
348 HB3 TRP 52 2HB TRP 52 8.476 0.093 1.649
349 HD1 TRP 52 HD TRP 52 7.007 -2.734 3.603
350 HE1 TRP 52 1HE TRP 52 7.606 -2.483 6.094
351 HE3 TRP 52 3HE TRP 52 8.827 2.043 3.522
352 HZ2 TRP 52 2HZ TRP 52 8.704 -0.519 7.798
353 HZ3 TRP 52 3HZ TRP 52 9.631 3.034 5.625
354 HH2 TRP 52 HH TRP 52 9.570 1.779 7.718
355 H LYS 53 H LYS 53 5.981 -0.696 -0.495
356 HA LYS 53 HA LYS 53 7.315 0.893 -2.320
357 HB2 LYS 53 1HB LYS 53 4.831 -0.786 -2.696
358 HB3 LYS 53 2HB LYS 53 5.744 -0.081 -4.023
359 HG2 LYS 53 1HG LYS 53 7.755 -1.333 -3.077
360 HG3 LYS 53 2HG LYS 53 6.583 -2.233 -2.113
361 HD2 LYS 53 1HD LYS 53 5.385 -2.620 -4.378
362 HD3 LYS 53 2HD LYS 53 6.937 -2.169 -5.087
363 HE2 LYS 53 1HE LYS 53 7.997 -4.039 -4.294
364 HE3 LYS 53 2HE LYS 53 6.909 -4.203 -2.916
365 HZ1 LYS 53 1HZ LYS 53 6.567 -5.952 -4.557
366 HZ2 LYS 53 2HZ LYS 53 6.203 -4.799 -5.739
367 HZ3 LYS 53 3HZ LYS 53 5.185 -4.989 -4.401
368 H HIS 54 H HIS 54 4.064 1.247 -1.025
369 HA HIS 54 HA HIS 54 3.335 3.378 -2.800
370 HB2 HIS 54 1HB HIS 54 1.603 1.968 -1.844
371 HB3 HIS 54 2HB HIS 54 2.092 2.420 -0.214
372 HD1 HIS 54 1HD HIS 54 0.731 4.109 -3.338
373 HD2 HIS 54 2HD HIS 54 0.688 4.503 0.797
374 HE1 HIS 54 1HE HIS 54 -0.839 6.014 -2.861
375 H LEU 55 H LEU 55 4.686 3.130 0.432
376 HA LEU 55 HA LEU 55 4.383 5.855 1.143
377 HB2 LEU 55 1HB LEU 55 6.304 3.745 2.109
378 HB3 LEU 55 2HB LEU 55 6.149 5.344 2.834
379 HG LEU 55 HG LEU 55 3.887 3.359 2.678
380 HD11 LEU 55 1HD1 LEU 55 5.797 3.894 4.949
381 HD12 LEU 55 2HD1 LEU 55 5.682 2.407 4.008
382 HD13 LEU 55 3HD1 LEU 55 4.341 2.901 5.041
383 HD21 LEU 55 1HD2 LEU 55 2.832 4.779 4.306
384 HD22 LEU 55 2HD2 LEU 55 3.303 5.758 2.917
385 HD23 LEU 55 3HD2 LEU 55 4.261 5.808 4.397
386 H LYS 56 H LYS 56 7.159 4.027 -0.130
387 HA LYS 56 HA LYS 56 8.782 6.376 -0.402
388 HB2 LYS 56 1HB LYS 56 9.268 3.726 -1.752
389 HB3 LYS 56 2HB LYS 56 10.452 4.939 -1.282
390 HG2 LYS 56 1HG LYS 56 10.467 4.285 0.901
391 HG3 LYS 56 2HG LYS 56 8.804 3.696 0.852
392 HD2 LYS 56 1HD LYS 56 9.901 1.697 0.908
393 HD3 LYS 56 2HD LYS 56 9.868 1.951 -0.839
394 HE2 LYS 56 1HE LYS 56 12.156 3.063 0.701
395 HE3 LYS 56 2HE LYS 56 12.098 1.319 0.446
396 HZ1 LYS 56 1HZ LYS 56 11.518 2.502 -1.992
397 HZ2 LYS 56 2HZ LYS 56 12.925 1.667 -1.562
398 HZ3 LYS 56 3HZ LYS 56 12.846 3.346 -1.369
399 H SER 57 H SER 57 6.236 5.131 -2.171
400 HA SER 57 HA SER 57 7.190 5.923 -4.785
401 HB2 SER 57 1HB SER 57 5.736 4.075 -4.870
402 HB3 SER 57 2HB SER 57 4.593 4.809 -3.745
403 HG SER 57 HG SER 57 5.026 5.387 -6.468
404 H MET 58 H MET 58 4.989 7.144 -2.316
405 HA MET 58 HA MET 58 4.920 9.709 -3.758
406 HB2 MET 58 1HB MET 58 2.629 10.038 -3.233
407 HB3 MET 58 2HB MET 58 2.751 8.413 -3.893
408 HG2 MET 58 1HG MET 58 2.368 7.410 -1.852
409 HG3 MET 58 2HG MET 58 2.875 8.831 -0.943
410 HE1 MET 58 1HE MET 58 -0.010 7.827 -3.637
411 HE2 MET 58 2HE MET 58 -0.888 9.348 -3.481
412 HE3 MET 58 3HE MET 58 0.793 9.351 -4.015
413 H HIS 59 H HIS 59 4.938 7.996 -0.706
414 HA HIS 59 HA HIS 59 5.163 10.498 0.786
415 HB2 HIS 59 1HB HIS 59 5.041 7.645 1.785
416 HB3 HIS 59 2HB HIS 59 4.997 9.090 2.790
417 HD1 HIS 59 1HD HIS 59 2.855 10.736 2.171
418 HD2 HIS 59 2HD HIS 59 2.584 6.720 1.144
419 HE1 HIS 59 1HE HIS 59 0.402 10.291 1.840
420 H ARG 60 H ARG 60 7.272 9.434 -1.038
421 HA ARG 60 HA ARG 60 9.423 8.351 0.369
422 HB2 ARG 60 1HB ARG 60 9.425 8.436 -2.048
423 HB3 ARG 60 2HB ARG 60 9.399 10.194 -2.024
424 HG2 ARG 60 1HG ARG 60 11.616 10.347 -1.360
425 HG3 ARG 60 2HG ARG 60 11.648 8.690 -0.753
426 HD2 ARG 60 1HD ARG 60 11.528 7.831 -3.020
427 HD3 ARG 60 2HD ARG 60 11.401 9.471 -3.655
428 HE ARG 60 HE ARG 60 13.720 9.587 -2.333
429 HH11 ARG 60 2HH1 ARG 60 12.464 7.238 -4.575
430 HH12 ARG 60 1HH1 ARG 60 14.024 6.793 -5.185
431 HH21 ARG 60 2HH2 ARG 60 15.779 9.010 -3.128
432 HH22 ARG 60 1HH2 ARG 60 15.909 7.801 -4.360
433 H GLU 61 H GLU 61 8.238 11.629 0.177
434 HA GLU 61 HA GLU 61 10.582 12.802 1.363
435 HB2 GLU 61 1HB GLU 61 7.816 13.882 0.817
436 HB3 GLU 61 2HB GLU 61 9.104 14.839 1.537
437 HG2 GLU 61 1HG GLU 61 10.474 14.477 -0.465
438 HG3 GLU 61 2HG GLU 61 9.152 13.562 -1.188
439 H GLU 62 H GLU 62 7.394 11.774 2.460
440 HA GLU 62 HA GLU 62 7.497 12.855 5.049
441 HB2 GLU 62 1HB GLU 62 5.398 12.084 4.245
442 HB3 GLU 62 2HB GLU 62 6.035 10.482 3.902
443 HG2 GLU 62 1HG GLU 62 4.853 10.102 5.823
444 HG3 GLU 62 2HG GLU 62 6.468 10.400 6.463
445 H LEU 63 H LEU 63 8.190 9.521 3.983
446 HA LEU 63 HA LEU 63 8.989 8.390 6.327
447 HB2 LEU 63 1HB LEU 63 10.374 8.026 3.674
448 HB3 LEU 63 2HB LEU 63 10.409 6.903 5.032
449 HG LEU 63 HG LEU 63 7.977 7.605 3.389
450 HD11 LEU 63 1HD1 LEU 63 8.373 5.819 2.094
451 HD12 LEU 63 2HD1 LEU 63 8.986 4.854 3.436
452 HD13 LEU 63 3HD1 LEU 63 10.043 6.012 2.629
453 HD21 LEU 63 1HD2 LEU 63 6.894 6.927 5.229
454 HD22 LEU 63 2HD2 LEU 63 8.347 6.232 5.947
455 HD23 LEU 63 3HD2 LEU 63 7.422 5.311 4.760
456 H GLU 64 H GLU 64 11.151 10.118 4.077
457 HA GLU 64 HA GLU 64 13.503 9.981 5.473
458 HB2 GLU 64 1HB GLU 64 12.338 12.110 3.712
459 HB3 GLU 64 2HB GLU 64 13.893 12.366 4.492
460 HG2 GLU 64 1HG GLU 64 14.481 10.050 3.458
461 HG3 GLU 64 2HG GLU 64 13.135 10.408 2.377
462 H LYS 65 H LYS 65 10.942 12.412 5.871
463 HA LYS 65 HA LYS 65 12.072 14.052 7.752
464 HB2 LYS 65 1HB LYS 65 9.202 13.100 7.703
465 HB3 LYS 65 2HB LYS 65 9.791 14.535 8.533
466 HG2 LYS 65 1HG LYS 65 10.235 14.235 5.597
467 HG3 LYS 65 2HG LYS 65 8.660 14.749 6.207
468 HD2 LYS 65 1HD LYS 65 9.589 16.673 7.237
469 HD3 LYS 65 2HD LYS 65 11.238 16.087 7.003
470 HE2 LYS 65 1HE LYS 65 11.120 17.560 5.268
471 HE3 LYS 65 2HE LYS 65 10.494 16.123 4.462
472 HZ1 LYS 65 1HZ LYS 65 9.146 18.582 5.156
473 HZ2 LYS 65 2HZ LYS 65 8.265 17.182 5.510
474 HZ3 LYS 65 3HZ LYS 65 8.802 17.466 3.931
475 H SER 66 H SER 66 10.132 11.142 8.449
476 HA SER 66 HA SER 66 10.626 11.211 11.241
477 HB2 SER 66 1HB SER 66 8.716 10.019 10.047
478 HB3 SER 66 2HB SER 66 9.879 8.753 9.652
479 HG SER 66 HG SER 66 8.809 9.489 12.133
480 H GLY 67 H GLY 67 11.552 9.053 12.263
481 HA2 GLY 67 1HA GLY 67 14.342 9.022 11.524
482 HA3 GLY 67 2HA GLY 67 13.611 8.181 12.882
483 H HIS 68 H HIS 68 12.920 7.999 9.401
484 HA HIS 68 HA HIS 68 13.552 5.123 9.534
485 HB2 HIS 68 1HB HIS 68 11.493 6.497 7.794
486 HB3 HIS 68 2HB HIS 68 11.849 4.772 7.795
487 HD1 HIS 68 1HD HIS 68 11.913 4.311 10.858
488 HD2 HIS 68 2HD HIS 68 8.978 6.463 8.853
489 HE1 HIS 68 1HE HIS 68 9.892 4.247 12.353
490 H GLY 69 H GLY 69 15.372 4.682 8.485
491 HA2 GLY 69 1HA GLY 69 15.749 5.709 5.787
492 HA3 GLY 69 2HA GLY 69 16.971 6.175 6.961
493 H GLN 70 H GLN 70 17.243 3.875 8.441
494 HA GLN 70 HA GLN 70 18.646 2.188 6.535
495 HB2 GLN 70 1HB GLN 70 18.593 2.210 9.556
496 HB3 GLN 70 2HB GLN 70 19.549 1.089 8.595
497 HG2 GLN 70 1HG GLN 70 20.883 2.851 7.719
498 HG3 GLN 70 2HG GLN 70 19.820 4.076 8.410
499 HE21 GLN 70 1HE2 GLN 70 20.320 4.872 10.332
500 HE22 GLN 70 2HE2 GLN 70 21.480 4.208 11.427
501 H SER 71 H SER 71 15.852 2.033 6.341
502 HA SER 71 HA SER 71 14.591 0.028 7.770
503 HB2 SER 71 1HB SER 71 13.077 -0.192 5.863
504 HB3 SER 71 2HB SER 71 13.453 1.508 6.144
505 HG SER 71 HG SER 71 15.002 1.346 4.453
506 H GLY 72 H GLY 72 15.313 -1.962 8.141
507 HA2 GLY 72 1HA GLY 72 15.436 -4.187 7.037
508 HA3 GLY 72 2HA GLY 72 16.527 -3.435 5.883
509 HA PRO 73 HA PRO 73 18.951 -5.475 9.334
510 HB2 PRO 73 1HB PRO 73 20.421 -7.092 7.722
511 HB3 PRO 73 2HB PRO 73 18.851 -7.565 8.383
512 HG2 PRO 73 1HG PRO 73 19.520 -6.504 5.665
513 HG3 PRO 73 2HG PRO 73 18.431 -7.830 6.111
514 HD2 PRO 73 1HD PRO 73 17.532 -5.353 5.491
515 HD3 PRO 73 2HD PRO 73 16.712 -6.399 6.668
516 H SER 74 H SER 74 19.831 -3.287 9.428
517 HA SER 74 HA SER 74 21.516 -1.997 7.763
518 HB2 SER 74 1HB SER 74 20.944 -1.034 9.898
519 HB3 SER 74 2HB SER 74 21.804 -2.310 10.759
520 HG SER 74 HG SER 74 23.452 -1.120 9.007
521 H SER 75 H SER 75 22.702 -4.290 10.229
522 HA SER 75 HA SER 75 25.346 -4.375 9.377
523 HB2 SER 75 1HB SER 75 23.735 -6.582 10.682
524 HB3 SER 75 2HB SER 75 25.495 -6.519 10.593
525 HG SER 75 HG SER 75 24.849 -5.703 12.572
526 H GLY 76 H GLY 76 22.679 -6.588 8.540
527 HA2 GLY 76 1HA GLY 76 24.248 -8.082 6.678
528 HA3 GLY 76 2HA GLY 76 22.503 -8.160 6.865
Start of MODEL 3
1 H1 GLY 1 H GLY 1 2.533 -14.341 20.231
2 HA2 GLY 1 1HA GLY 1 4.192 -15.801 19.320
3 HA3 GLY 1 2HA GLY 1 3.046 -16.271 18.074
4 H SER 2 H SER 2 4.237 -13.112 19.213
5 HA SER 2 HA SER 2 4.757 -12.401 16.414
6 HB2 SER 2 1HB SER 2 4.104 -10.829 18.873
7 HB3 SER 2 2HB SER 2 5.026 -10.047 17.589
8 HG SER 2 HG SER 2 2.380 -10.854 17.639
9 H SER 3 H SER 3 6.752 -13.440 16.174
10 HA SER 3 HA SER 3 8.959 -12.238 17.716
11 HB2 SER 3 1HB SER 3 8.517 -15.055 16.787
12 HB3 SER 3 2HB SER 3 10.162 -14.449 16.978
13 HG SER 3 HG SER 3 9.677 -13.980 19.143
14 H GLY 4 H GLY 4 10.916 -11.817 16.595
15 HA2 GLY 4 1HA GLY 4 12.209 -11.201 14.795
16 HA3 GLY 4 2HA GLY 4 11.215 -12.256 13.802
17 H SER 5 H SER 5 11.978 -9.051 14.596
18 HA SER 5 HA SER 5 9.729 -8.087 12.952
19 HB2 SER 5 1HB SER 5 9.740 -7.454 15.455
20 HB3 SER 5 2HB SER 5 11.086 -6.392 15.040
21 HG SER 5 HG SER 5 9.756 -5.255 13.678
22 H SER 6 H SER 6 10.901 -8.146 11.036
23 HA SER 6 HA SER 6 13.329 -6.507 10.895
24 HB2 SER 6 1HB SER 6 13.722 -7.580 8.729
25 HB3 SER 6 2HB SER 6 13.465 -8.797 9.979
26 HG SER 6 HG SER 6 11.315 -7.868 8.414
27 H GLY 7 H GLY 7 10.964 -5.096 11.228
28 HA2 GLY 7 1HA GLY 7 10.878 -2.952 9.834
29 HA3 GLY 7 2HA GLY 7 10.394 -4.035 8.537
30 H SER 8 H SER 8 8.298 -4.615 8.348
31 HA SER 8 HA SER 8 6.041 -4.215 8.568
32 HB2 SER 8 1HB SER 8 5.106 -5.321 10.539
33 HB3 SER 8 2HB SER 8 6.447 -6.265 9.891
34 HG SER 8 HG SER 8 6.197 -5.517 12.334
35 H GLU 9 H GLU 9 7.707 -1.908 9.231
36 HA GLU 9 HA GLU 9 6.293 -0.638 11.441
37 HB2 GLU 9 1HB GLU 9 8.816 -0.445 11.026
38 HB3 GLU 9 2HB GLU 9 8.397 0.638 9.706
39 HG2 GLU 9 1HG GLU 9 8.938 1.935 11.642
40 HG3 GLU 9 2HG GLU 9 7.212 2.086 11.315
41 H ALA 10 H ALA 10 6.544 -0.496 7.951
42 HA ALA 10 HA ALA 10 5.346 1.924 7.387
43 HB1 ALA 10 1HB ALA 10 5.050 -0.688 5.910
44 HB2 ALA 10 2HB ALA 10 4.610 0.895 5.267
45 HB3 ALA 10 3HB ALA 10 6.293 0.537 5.653
46 H TRP 11 H TRP 11 3.913 -0.983 8.637
47 HA TRP 11 HA TRP 11 1.249 -0.663 7.964
48 HB2 TRP 11 1HB TRP 11 2.683 -1.928 10.250
49 HB3 TRP 11 2HB TRP 11 0.942 -1.703 10.396
50 HD1 TRP 11 HD TRP 11 3.308 -4.216 9.317
51 HE1 TRP 11 1HE TRP 11 2.221 -5.933 7.738
52 HE3 TRP 11 3HE TRP 11 -0.963 -1.659 8.150
53 HZ2 TRP 11 2HZ TRP 11 -0.134 -6.173 6.200
54 HZ3 TRP 11 3HZ TRP 11 -2.581 -2.702 6.617
55 HH2 TRP 11 HH TRP 11 -2.173 -4.912 5.663
56 H GLU 12 H GLU 12 3.174 1.092 10.273
57 HA GLU 12 HA GLU 12 1.172 2.200 11.870
58 HB2 GLU 12 1HB GLU 12 3.795 3.429 11.001
59 HB3 GLU 12 2HB GLU 12 2.792 4.017 12.320
60 HG2 GLU 12 1HG GLU 12 4.024 1.275 12.207
61 HG3 GLU 12 2HG GLU 12 4.717 2.654 13.058
62 H TYR 13 H TYR 13 1.923 2.751 8.582
63 HA TYR 13 HA TYR 13 0.374 5.249 8.557
64 HB2 TYR 13 1HB TYR 13 2.054 4.128 6.312
65 HB3 TYR 13 2HB TYR 13 1.391 5.753 6.445
66 HD1 TYR 13 2HD TYR 13 4.022 3.474 7.584
67 HD2 TYR 13 1HD TYR 13 2.435 7.410 7.876
68 HE1 TYR 13 2HE TYR 13 6.105 4.228 8.654
69 HE2 TYR 13 1HE TYR 13 4.514 8.176 8.946
70 HH TYR 13 HH TYR 13 6.390 7.292 10.165
71 H PHE 14 H PHE 14 -0.534 2.327 8.622
72 HA PHE 14 HA PHE 14 -2.629 2.666 6.639
73 HB2 PHE 14 1HB PHE 14 -0.843 0.224 6.675
74 HB3 PHE 14 2HB PHE 14 -2.325 0.377 5.737
75 HD1 PHE 14 1HD PHE 14 0.979 2.012 6.241
76 HD2 PHE 14 2HD PHE 14 -2.230 1.176 3.572
77 HE1 PHE 14 1HE PHE 14 2.259 3.012 4.393
78 HE2 PHE 14 2HE PHE 14 -0.954 2.174 1.720
79 HZ PHE 14 HZ PHE 14 1.294 3.093 2.129
80 H HIS 15 H HIS 15 -4.444 1.238 6.979
81 HA HIS 15 HA HIS 15 -4.468 -0.255 9.487
82 HB2 HIS 15 1HB HIS 15 -6.070 0.984 10.553
83 HB3 HIS 15 2HB HIS 15 -5.296 2.275 9.638
84 HD1 HIS 15 1HD HIS 15 -8.203 -0.138 9.140
85 HD2 HIS 15 2HD HIS 15 -7.072 3.759 8.250
86 HE1 HIS 15 1HE HIS 15 -10.187 0.891 7.987
87 H LEU 16 H LEU 16 -5.406 -2.156 9.168
88 HA LEU 16 HA LEU 16 -6.565 -2.932 6.746
89 HB2 LEU 16 1HB LEU 16 -6.784 -4.163 9.487
90 HB3 LEU 16 2HB LEU 16 -7.332 -4.941 8.004
91 HG LEU 16 HG LEU 16 -4.473 -4.135 8.514
92 HD11 LEU 16 1HD1 LEU 16 -4.943 -6.967 8.510
93 HD12 LEU 16 2HD1 LEU 16 -5.902 -6.188 9.768
94 HD13 LEU 16 3HD1 LEU 16 -4.153 -5.963 9.727
95 HD21 LEU 16 1HD2 LEU 16 -5.361 -4.433 6.143
96 HD22 LEU 16 2HD2 LEU 16 -5.529 -6.142 6.545
97 HD23 LEU 16 3HD2 LEU 16 -3.941 -5.376 6.596
98 H ALA 17 H ALA 17 -8.716 -3.458 6.191
99 HA ALA 17 HA ALA 17 -10.681 -1.706 7.443
100 HB1 ALA 17 1HB ALA 17 -10.583 -1.535 5.072
101 HB2 ALA 17 2HB ALA 17 -10.712 -3.283 4.878
102 HB3 ALA 17 3HB ALA 17 -12.090 -2.358 5.473
103 HA PRO 18 HA PRO 18 -12.705 -4.913 9.676
104 HB2 PRO 18 1HB PRO 18 -15.184 -3.822 9.862
105 HB3 PRO 18 2HB PRO 18 -13.804 -3.235 10.797
106 HG2 PRO 18 1HG PRO 18 -14.984 -2.142 8.272
107 HG3 PRO 18 2HG PRO 18 -14.423 -1.273 9.713
108 HD2 PRO 18 1HD PRO 18 -12.934 -1.473 7.460
109 HD3 PRO 18 2HD PRO 18 -12.210 -1.396 9.079
110 H ALA 19 H ALA 19 -13.735 -6.770 9.197
111 HA ALA 19 HA ALA 19 -14.421 -7.472 6.602
112 HB1 ALA 19 1HB ALA 19 -15.664 -9.395 7.736
113 HB2 ALA 19 2HB ALA 19 -13.940 -9.230 8.070
114 HB3 ALA 19 3HB ALA 19 -15.124 -8.682 9.257
115 H ARG 20 H ARG 20 -16.265 -7.469 5.414
116 HA ARG 20 HA ARG 20 -18.597 -6.125 6.610
117 HB2 ARG 20 1HB ARG 20 -17.535 -6.154 3.790
118 HB3 ARG 20 2HB ARG 20 -19.170 -5.627 4.168
119 HG2 ARG 20 1HG ARG 20 -18.434 -3.753 5.324
120 HG3 ARG 20 2HG ARG 20 -16.814 -4.413 5.553
121 HD2 ARG 20 1HD ARG 20 -17.793 -3.928 2.782
122 HD3 ARG 20 2HD ARG 20 -17.287 -2.548 3.757
123 HE ARG 20 HE ARG 20 -15.393 -4.722 3.677
124 HH11 ARG 20 2HH1 ARG 20 -16.463 -1.761 2.193
125 HH12 ARG 20 1HH1 ARG 20 -14.936 -1.431 1.445
126 HH21 ARG 20 2HH2 ARG 20 -13.377 -4.300 2.697
127 HH22 ARG 20 1HH2 ARG 20 -13.181 -2.876 1.731
128 H ALA 21 H ALA 21 -19.125 -8.335 7.412
129 HA ALA 21 HA ALA 21 -20.143 -10.391 7.254
130 HB1 ALA 21 1HB ALA 21 -22.290 -9.864 7.080
131 HB2 ALA 21 2HB ALA 21 -21.823 -8.304 6.402
132 HB3 ALA 21 3HB ALA 21 -22.139 -9.671 5.333
133 H GLY 22 H GLY 22 -17.934 -10.314 5.550
134 HA2 GLY 22 1HA GLY 22 -18.655 -12.389 3.699
135 HA3 GLY 22 2HA GLY 22 -18.227 -10.886 2.894
136 H HIS 23 H HIS 23 -16.152 -10.564 2.431
137 HA HIS 23 HA HIS 23 -14.195 -12.505 2.872
138 HB2 HIS 23 1HB HIS 23 -12.592 -10.830 2.044
139 HB3 HIS 23 2HB HIS 23 -14.046 -10.880 1.051
140 HD1 HIS 23 1HD HIS 23 -13.331 -8.938 4.247
141 HD2 HIS 23 2HD HIS 23 -14.451 -8.317 0.295
142 HE1 HIS 23 1HE HIS 23 -13.760 -6.468 4.050
143 H HIS 24 H HIS 24 -12.026 -11.998 3.943
144 HA HIS 24 HA HIS 24 -12.513 -11.562 6.729
145 HB2 HIS 24 1HB HIS 24 -9.961 -11.831 6.845
146 HB3 HIS 24 2HB HIS 24 -10.895 -13.208 6.268
147 HD1 HIS 24 1HD HIS 24 -8.481 -10.589 5.119
148 HD2 HIS 24 2HD HIS 24 -10.472 -13.903 3.597
149 HE1 HIS 24 1HE HIS 24 -7.396 -11.065 2.901
150 HA PRO 25 HA PRO 25 -11.550 -7.304 7.160
151 HB2 PRO 25 1HB PRO 25 -10.271 -7.270 9.554
152 HB3 PRO 25 2HB PRO 25 -12.011 -7.540 9.398
153 HG2 PRO 25 1HG PRO 25 -9.810 -9.535 9.775
154 HG3 PRO 25 2HG PRO 25 -11.403 -9.466 10.551
155 HD2 PRO 25 1HD PRO 25 -10.863 -11.123 8.479
156 HD3 PRO 25 2HD PRO 25 -12.468 -10.409 8.737
157 H ASN 26 H ASN 26 -9.133 -9.618 6.750
158 HA ASN 26 HA ASN 26 -7.011 -7.584 6.671
159 HB2 ASN 26 1HB ASN 26 -6.713 -10.595 6.643
160 HB3 ASN 26 2HB ASN 26 -5.419 -9.410 6.798
161 HD21 ASN 26 1HD2 ASN 26 -7.870 -11.178 8.404
162 HD22 ASN 26 2HD2 ASN 26 -7.549 -10.604 10.002
163 H GLN 27 H GLN 27 -8.721 -7.372 4.606
164 HA GLN 27 HA GLN 27 -7.649 -8.888 2.357
165 HB2 GLN 27 1HB GLN 27 -10.123 -8.498 2.660
166 HB3 GLN 27 2HB GLN 27 -9.828 -6.798 2.317
167 HG2 GLN 27 1HG GLN 27 -10.399 -7.491 0.240
168 HG3 GLN 27 2HG GLN 27 -8.666 -7.805 0.169
169 HE21 GLN 27 1HE2 GLN 27 -7.925 -9.946 0.369
170 HE22 GLN 27 2HE2 GLN 27 -8.964 -11.289 0.052
171 H TYR 28 H TYR 28 -8.340 -5.448 3.017
172 HA TYR 28 HA TYR 28 -5.929 -4.776 1.460
173 HB2 TYR 28 1HB TYR 28 -8.683 -3.629 1.369
174 HB3 TYR 28 2HB TYR 28 -7.321 -2.546 1.104
175 HD1 TYR 28 2HD TYR 28 -9.186 -5.413 -0.220
176 HD2 TYR 28 1HD TYR 28 -5.961 -2.720 -0.889
177 HE1 TYR 28 2HE TYR 28 -9.075 -6.138 -2.568
178 HE2 TYR 28 1HE TYR 28 -5.842 -3.436 -3.239
179 HH TYR 28 HH TYR 28 -6.830 -6.012 -4.429
180 H ALA 29 H ALA 29 -5.049 -2.588 2.000
181 HA ALA 29 HA ALA 29 -5.344 -2.048 4.884
182 HB1 ALA 29 1HB ALA 29 -3.198 -2.973 4.600
183 HB2 ALA 29 2HB ALA 29 -2.889 -2.016 3.150
184 HB3 ALA 29 3HB ALA 29 -2.948 -1.232 4.728
185 H THR 30 H THR 30 -6.083 -0.098 5.381
186 HA THR 30 HA THR 30 -6.307 1.931 3.318
187 HB THR 30 HB THR 30 -7.258 2.030 6.187
188 HG1 THR 30 1HG THR 30 -8.987 1.646 4.011
189 HG21 THR 30 1HG2 THR 30 -8.468 3.938 5.633
190 HG22 THR 30 2HG2 THR 30 -8.363 3.623 3.901
191 HG23 THR 30 3HG2 THR 30 -6.944 4.188 4.783
192 H CYS 31 H CYS 31 -4.628 3.227 2.969
193 HA CYS 31 HA CYS 31 -2.516 3.665 4.771
194 HB2 CYS 31 1HB CYS 31 -2.583 3.995 2.212
195 HB3 CYS 31 2HB CYS 31 -3.241 5.588 2.572
196 H ARG 32 H ARG 32 -2.521 4.794 6.588
197 HA ARG 32 HA ARG 32 -4.628 6.636 7.217
198 HB2 ARG 32 1HB ARG 32 -2.083 5.997 8.722
199 HB3 ARG 32 2HB ARG 32 -3.444 6.912 9.357
200 HG2 ARG 32 1HG ARG 32 -4.870 4.965 9.201
201 HG3 ARG 32 2HG ARG 32 -3.560 4.039 8.465
202 HD2 ARG 32 1HD ARG 32 -3.364 3.365 10.644
203 HD3 ARG 32 2HD ARG 32 -2.274 4.751 10.644
204 HE ARG 32 HE ARG 32 -5.013 5.318 11.393
205 HH11 ARG 32 2HH1 ARG 32 -1.799 4.514 12.462
206 HH12 ARG 32 1HH1 ARG 32 -2.043 5.113 14.069
207 HH21 ARG 32 2HH2 ARG 32 -5.347 6.110 13.505
208 HH22 ARG 32 1HH2 ARG 32 -4.062 6.020 14.662
209 H LEU 33 H LEU 33 -1.906 6.949 5.388
210 HA LEU 33 HA LEU 33 -1.205 9.638 6.240
211 HB2 LEU 33 1HB LEU 33 -0.130 7.703 4.234
212 HB3 LEU 33 2HB LEU 33 0.290 9.410 4.116
213 HG LEU 33 HG LEU 33 0.824 7.677 6.528
214 HD11 LEU 33 1HD1 LEU 33 2.870 8.672 4.573
215 HD12 LEU 33 2HD1 LEU 33 2.075 7.111 4.374
216 HD13 LEU 33 3HD1 LEU 33 3.037 7.433 5.817
217 HD21 LEU 33 1HD2 LEU 33 1.592 9.503 7.569
218 HD22 LEU 33 2HD2 LEU 33 0.638 10.401 6.388
219 HD23 LEU 33 3HD2 LEU 33 2.359 10.130 6.110
220 H CYS 34 H CYS 34 -2.336 8.096 3.229
221 HA CYS 34 HA CYS 34 -3.393 10.708 2.383
222 HB2 CYS 34 1HB CYS 34 -3.399 9.769 0.099
223 HB3 CYS 34 2HB CYS 34 -1.792 9.742 0.819
224 H GLY 35 H GLY 35 -4.203 7.287 2.735
225 HA2 GLY 35 1HA GLY 35 -6.396 6.698 3.577
226 HA3 GLY 35 2HA GLY 35 -7.049 8.059 2.677
227 H ARG 36 H ARG 36 -4.682 5.904 1.290
228 HA ARG 36 HA ARG 36 -6.739 4.964 -0.589
229 HB2 ARG 36 1HB ARG 36 -3.838 5.576 -0.842
230 HB3 ARG 36 2HB ARG 36 -4.482 4.277 -1.837
231 HG2 ARG 36 1HG ARG 36 -6.316 6.085 -2.403
232 HG3 ARG 36 2HG ARG 36 -5.024 7.193 -1.935
233 HD2 ARG 36 1HD ARG 36 -3.533 6.149 -3.563
234 HD3 ARG 36 2HD ARG 36 -4.809 5.020 -4.017
235 HE ARG 36 HE ARG 36 -5.762 7.638 -4.334
236 HH11 ARG 36 2HH1 ARG 36 -3.445 5.450 -5.735
237 HH12 ARG 36 1HH1 ARG 36 -3.537 6.157 -7.314
238 HH21 ARG 36 2HH2 ARG 36 -5.891 8.578 -6.409
239 HH22 ARG 36 1HH2 ARG 36 -4.927 7.937 -7.696
240 H GLN 37 H GLN 37 -6.969 2.794 -1.059
241 HA GLN 37 HA GLN 37 -6.076 0.983 1.006
242 HB2 GLN 37 1HB GLN 37 -7.802 0.526 -1.433
243 HB3 GLN 37 2HB GLN 37 -7.490 -0.674 -0.186
244 HG2 GLN 37 1HG GLN 37 -8.586 0.716 1.467
245 HG3 GLN 37 2HG GLN 37 -8.843 1.977 0.262
246 HE21 GLN 37 1HE2 GLN 37 -11.086 1.595 1.106
247 HE22 GLN 37 2HE2 GLN 37 -12.044 0.416 0.282
248 H VAL 38 H VAL 38 -4.457 -0.441 0.878
249 HA VAL 38 HA VAL 38 -3.331 -1.084 -1.757
250 HB VAL 38 HB VAL 38 -1.687 -0.284 0.649
251 HG11 VAL 38 1HG1 VAL 38 -0.284 -0.481 -1.870
252 HG12 VAL 38 2HG1 VAL 38 0.089 -1.221 -0.312
253 HG13 VAL 38 3HG1 VAL 38 -1.026 -2.017 -1.424
254 HG21 VAL 38 1HG2 VAL 38 -2.697 1.189 -1.677
255 HG22 VAL 38 2HG2 VAL 38 -2.135 1.782 -0.114
256 HG23 VAL 38 3HG2 VAL 38 -0.970 1.384 -1.377
257 H SER 39 H SER 39 -3.571 -3.209 -1.954
258 HA SER 39 HA SER 39 -3.561 -4.934 0.377
259 HB2 SER 39 1HB SER 39 -4.125 -6.723 -1.260
260 HB3 SER 39 2HB SER 39 -5.235 -5.355 -1.335
261 HG SER 39 HG SER 39 -4.612 -5.956 -3.418
262 H ARG 40 H ARG 40 -1.973 -6.300 0.975
263 HA ARG 40 HA ARG 40 0.436 -6.393 -0.721
264 HB2 ARG 40 1HB ARG 40 1.763 -6.585 1.321
265 HB3 ARG 40 2HB ARG 40 0.799 -5.114 1.339
266 HG2 ARG 40 1HG ARG 40 -0.368 -7.516 2.617
267 HG3 ARG 40 2HG ARG 40 0.984 -6.729 3.434
268 HD2 ARG 40 1HD ARG 40 -0.729 -5.538 4.345
269 HD3 ARG 40 2HD ARG 40 -0.446 -4.562 2.904
270 HE ARG 40 HE ARG 40 -2.537 -5.122 2.203
271 HH11 ARG 40 2HH1 ARG 40 -1.452 -7.539 4.462
272 HH12 ARG 40 1HH1 ARG 40 -2.952 -8.405 4.456
273 HH21 ARG 40 2HH2 ARG 40 -4.517 -6.254 2.187
274 HH22 ARG 40 1HH2 ARG 40 -4.695 -7.674 3.161
275 H GLY 41 H GLY 41 -1.794 -8.176 1.300
276 HA2 GLY 41 1HA GLY 41 -1.980 -10.532 0.205
277 HA3 GLY 41 2HA GLY 41 -0.328 -10.669 0.789
278 HA PRO 42 HA PRO 42 -3.607 -11.789 4.072
279 HB2 PRO 42 1HB PRO 42 -3.460 -14.495 3.907
280 HB3 PRO 42 2HB PRO 42 -4.613 -13.537 2.970
281 HG2 PRO 42 1HG PRO 42 -1.982 -14.690 2.126
282 HG3 PRO 42 2HG PRO 42 -3.522 -14.655 1.248
283 HD2 PRO 42 1HD PRO 42 -1.512 -12.915 0.734
284 HD3 PRO 42 2HD PRO 42 -3.223 -12.476 0.558
285 H GLY 43 H GLY 43 -0.513 -13.243 3.166
286 HA2 GLY 43 1HA GLY 43 0.190 -13.312 6.036
287 HA3 GLY 43 2HA GLY 43 0.715 -14.550 4.906
288 H VAL 44 H VAL 44 1.127 -11.228 5.927
289 HA VAL 44 HA VAL 44 3.664 -11.147 4.427
290 HB VAL 44 HB VAL 44 2.298 -9.492 3.438
291 HG11 VAL 44 1HG1 VAL 44 1.479 -7.666 5.299
292 HG12 VAL 44 2HG1 VAL 44 0.467 -8.934 4.604
293 HG13 VAL 44 3HG1 VAL 44 1.263 -9.191 6.157
294 HG21 VAL 44 1HG2 VAL 44 3.718 -7.777 5.420
295 HG22 VAL 44 2HG2 VAL 44 4.660 -8.861 4.396
296 HG23 VAL 44 3HG2 VAL 44 3.628 -7.632 3.664
297 H ASN 45 H ASN 45 5.369 -11.253 5.718
298 HA ASN 45 HA ASN 45 5.202 -9.996 8.377
299 HB2 ASN 45 1HB ASN 45 6.485 -12.609 7.580
300 HB3 ASN 45 2HB ASN 45 6.876 -11.783 9.086
301 HD21 ASN 45 1HD2 ASN 45 4.424 -13.478 7.296
302 HD22 ASN 45 2HD2 ASN 45 3.372 -13.778 8.633
303 H VAL 46 H VAL 46 7.731 -11.392 6.282
304 HA VAL 46 HA VAL 46 9.386 -9.029 6.838
305 HB VAL 46 HB VAL 46 11.296 -10.362 6.102
306 HG11 VAL 46 1HG1 VAL 46 10.681 -12.367 7.871
307 HG12 VAL 46 2HG1 VAL 46 11.313 -10.776 8.300
308 HG13 VAL 46 3HG1 VAL 46 9.575 -11.078 8.346
309 HG21 VAL 46 1HG2 VAL 46 10.787 -11.924 4.562
310 HG22 VAL 46 2HG2 VAL 46 10.550 -12.961 5.969
311 HG23 VAL 46 3HG2 VAL 46 9.165 -12.181 5.205
312 H GLY 47 H GLY 47 10.979 -8.573 4.937
313 HA2 GLY 47 1HA GLY 47 11.329 -8.277 2.625
314 HA3 GLY 47 2HA GLY 47 9.709 -8.889 2.325
315 H THR 48 H THR 48 10.360 -6.755 0.914
316 HA THR 48 HA THR 48 9.839 -4.264 2.197
317 HB THR 48 HB THR 48 9.682 -4.933 -0.748
318 HG1 THR 48 1HG THR 48 11.867 -3.666 -0.365
319 HG21 THR 48 1HG2 THR 48 10.430 -2.234 0.196
320 HG22 THR 48 2HG2 THR 48 8.740 -2.693 0.412
321 HG23 THR 48 3HG2 THR 48 9.464 -2.721 -1.196
322 H THR 49 H THR 49 7.863 -4.828 3.329
323 HA THR 49 HA THR 49 5.489 -5.711 2.401
324 HB THR 49 HB THR 49 5.526 -3.205 4.065
325 HG1 THR 49 1HG THR 49 5.717 -5.043 5.785
326 HG21 THR 49 1HG2 THR 49 3.649 -4.272 5.187
327 HG22 THR 49 2HG2 THR 49 3.853 -5.717 4.198
328 HG23 THR 49 3HG2 THR 49 3.355 -4.200 3.450
329 H ALA 50 H ALA 50 4.161 -5.203 0.795
330 HA ALA 50 HA ALA 50 4.461 -3.425 -1.174
331 HB1 ALA 50 1HB ALA 50 1.713 -3.296 -0.782
332 HB2 ALA 50 2HB ALA 50 2.591 -4.482 -1.750
333 HB3 ALA 50 3HB ALA 50 2.194 -4.836 -0.068
334 H LEU 51 H LEU 51 3.034 -2.678 1.970
335 HA LEU 51 HA LEU 51 2.057 -0.144 1.527
336 HB2 LEU 51 1HB LEU 51 3.580 -0.942 3.996
337 HB3 LEU 51 2HB LEU 51 2.299 0.260 3.865
338 HG LEU 51 HG LEU 51 1.916 -2.711 3.500
339 HD11 LEU 51 1HD1 LEU 51 0.540 -1.735 5.755
340 HD12 LEU 51 2HD1 LEU 51 2.200 -1.153 5.877
341 HD13 LEU 51 3HD1 LEU 51 1.881 -2.879 5.708
342 HD21 LEU 51 1HD2 LEU 51 -0.509 -1.965 3.870
343 HD22 LEU 51 2HD2 LEU 51 0.219 -1.655 2.294
344 HD23 LEU 51 3HD2 LEU 51 0.068 -0.348 3.468
345 H TRP 52 H TRP 52 5.380 -1.050 2.408
346 HA TRP 52 HA TRP 52 6.497 1.472 2.597
347 HB2 TRP 52 1HB TRP 52 7.628 -1.177 1.730
348 HB3 TRP 52 2HB TRP 52 8.630 0.271 1.751
349 HD1 TRP 52 HD TRP 52 7.390 -2.454 3.957
350 HE1 TRP 52 1HE TRP 52 8.080 -2.006 6.396
351 HE3 TRP 52 3HE TRP 52 8.931 2.398 3.487
352 HZ2 TRP 52 2HZ TRP 52 9.137 0.122 7.919
353 HZ3 TRP 52 3HZ TRP 52 9.767 3.568 5.483
354 HH2 TRP 52 HH TRP 52 9.867 2.452 7.652
355 H LYS 53 H LYS 53 6.233 -0.580 -0.300
356 HA LYS 53 HA LYS 53 7.487 1.024 -2.145
357 HB2 LYS 53 1HB LYS 53 5.025 -0.693 -2.497
358 HB3 LYS 53 2HB LYS 53 5.932 0.006 -3.832
359 HG2 LYS 53 1HG LYS 53 7.926 -1.237 -3.096
360 HG3 LYS 53 2HG LYS 53 6.963 -1.980 -1.817
361 HD2 LYS 53 1HD LYS 53 5.408 -2.772 -3.677
362 HD3 LYS 53 2HD LYS 53 6.695 -2.312 -4.794
363 HE2 LYS 53 1HE LYS 53 7.254 -4.497 -4.458
364 HE3 LYS 53 2HE LYS 53 8.156 -3.764 -3.133
365 HZ1 LYS 53 1HZ LYS 53 5.398 -4.741 -2.741
366 HZ2 LYS 53 2HZ LYS 53 6.597 -4.467 -1.581
367 HZ3 LYS 53 3HZ LYS 53 6.719 -5.792 -2.626
368 H HIS 54 H HIS 54 4.176 1.272 -0.938
369 HA HIS 54 HA HIS 54 3.420 3.388 -2.694
370 HB2 HIS 54 1HB HIS 54 1.729 1.952 -1.695
371 HB3 HIS 54 2HB HIS 54 2.214 2.458 -0.080
372 HD1 HIS 54 1HD HIS 54 0.750 3.987 -3.235
373 HD2 HIS 54 2HD HIS 54 0.813 4.575 0.878
374 HE1 HIS 54 1HE HIS 54 -0.852 5.877 -2.801
375 H LEU 55 H LEU 55 4.564 3.247 0.654
376 HA LEU 55 HA LEU 55 4.286 5.969 1.262
377 HB2 LEU 55 1HB LEU 55 6.226 3.911 2.297
378 HB3 LEU 55 2HB LEU 55 6.043 5.523 2.985
379 HG LEU 55 HG LEU 55 3.722 3.628 2.813
380 HD11 LEU 55 1HD1 LEU 55 5.393 2.384 3.989
381 HD12 LEU 55 2HD1 LEU 55 4.243 3.016 5.167
382 HD13 LEU 55 3HD1 LEU 55 5.818 3.786 4.971
383 HD21 LEU 55 1HD2 LEU 55 3.723 6.218 3.390
384 HD22 LEU 55 2HD2 LEU 55 4.151 5.602 4.987
385 HD23 LEU 55 3HD2 LEU 55 2.657 5.076 4.209
386 H LYS 56 H LYS 56 7.101 4.168 0.042
387 HA LYS 56 HA LYS 56 8.710 6.521 -0.226
388 HB2 LYS 56 1HB LYS 56 9.151 3.827 -1.518
389 HB3 LYS 56 2HB LYS 56 10.356 5.073 -1.224
390 HG2 LYS 56 1HG LYS 56 10.562 4.553 0.978
391 HG3 LYS 56 2HG LYS 56 8.890 4.007 1.121
392 HD2 LYS 56 1HD LYS 56 10.048 2.016 1.275
393 HD3 LYS 56 2HD LYS 56 9.680 2.080 -0.450
394 HE2 LYS 56 1HE LYS 56 12.219 3.308 0.487
395 HE3 LYS 56 2HE LYS 56 12.116 1.548 0.452
396 HZ1 LYS 56 1HZ LYS 56 12.174 3.448 -1.751
397 HZ2 LYS 56 2HZ LYS 56 11.146 2.119 -1.943
398 HZ3 LYS 56 3HZ LYS 56 12.796 1.877 -1.658
399 H SER 57 H SER 57 6.173 5.273 -2.012
400 HA SER 57 HA SER 57 7.128 6.110 -4.613
401 HB2 SER 57 1HB SER 57 5.694 4.205 -4.633
402 HB3 SER 57 2HB SER 57 4.487 5.017 -3.635
403 HG SER 57 HG SER 57 4.176 6.476 -5.406
404 H MET 58 H MET 58 4.797 7.221 -2.194
405 HA MET 58 HA MET 58 4.694 9.806 -3.605
406 HB2 MET 58 1HB MET 58 2.403 10.091 -2.889
407 HB3 MET 58 2HB MET 58 2.552 8.568 -3.754
408 HG2 MET 58 1HG MET 58 2.218 7.304 -1.875
409 HG3 MET 58 2HG MET 58 2.800 8.566 -0.791
410 HE1 MET 58 1HE MET 58 0.529 9.435 -3.661
411 HE2 MET 58 2HE MET 58 -0.289 7.899 -3.372
412 HE3 MET 58 3HE MET 58 -1.110 9.418 -3.008
413 H HIS 59 H HIS 59 4.819 8.105 -0.546
414 HA HIS 59 HA HIS 59 5.038 10.620 0.927
415 HB2 HIS 59 1HB HIS 59 4.959 7.770 1.940
416 HB3 HIS 59 2HB HIS 59 4.936 9.218 2.943
417 HD1 HIS 59 1HD HIS 59 2.779 10.876 2.278
418 HD2 HIS 59 2HD HIS 59 2.485 6.813 1.459
419 HE1 HIS 59 1HE HIS 59 0.318 10.416 2.033
420 H ARG 60 H ARG 60 7.125 9.609 -0.929
421 HA ARG 60 HA ARG 60 9.316 8.510 0.365
422 HB2 ARG 60 1HB ARG 60 9.328 8.749 -2.021
423 HB3 ARG 60 2HB ARG 60 9.182 10.497 -1.903
424 HG2 ARG 60 1HG ARG 60 11.403 10.693 -1.044
425 HG3 ARG 60 2HG ARG 60 11.555 8.940 -0.905
426 HD2 ARG 60 1HD ARG 60 11.725 8.646 -3.199
427 HD3 ARG 60 2HD ARG 60 10.961 10.195 -3.554
428 HE ARG 60 HE ARG 60 13.738 9.712 -3.166
429 HH11 ARG 60 2HH1 ARG 60 11.226 12.070 -2.666
430 HH12 ARG 60 1HH1 ARG 60 12.309 13.423 -2.703
431 HH21 ARG 60 2HH2 ARG 60 15.173 11.484 -3.216
432 HH22 ARG 60 1HH2 ARG 60 14.553 13.088 -3.016
433 H GLU 61 H GLU 61 8.165 11.828 0.319
434 HA GLU 61 HA GLU 61 10.475 12.944 1.568
435 HB2 GLU 61 1HB GLU 61 7.698 13.921 1.005
436 HB3 GLU 61 2HB GLU 61 8.753 14.844 2.065
437 HG2 GLU 61 1HG GLU 61 10.196 15.405 0.375
438 HG3 GLU 61 2HG GLU 61 9.768 14.001 -0.602
439 H GLU 62 H GLU 62 7.320 11.836 2.719
440 HA GLU 62 HA GLU 62 7.573 12.672 5.385
441 HB2 GLU 62 1HB GLU 62 5.423 12.012 4.604
442 HB3 GLU 62 2HB GLU 62 6.010 10.429 4.116
443 HG2 GLU 62 1HG GLU 62 4.937 9.890 6.050
444 HG3 GLU 62 2HG GLU 62 6.561 10.191 6.666
445 H LEU 63 H LEU 63 8.479 9.635 3.802
446 HA LEU 63 HA LEU 63 9.313 8.272 6.116
447 HB2 LEU 63 1HB LEU 63 10.268 7.970 3.273
448 HB3 LEU 63 2HB LEU 63 10.555 6.816 4.574
449 HG LEU 63 HG LEU 63 7.895 7.513 3.333
450 HD11 LEU 63 1HD1 LEU 63 9.767 5.882 2.314
451 HD12 LEU 63 2HD1 LEU 63 8.035 5.606 2.137
452 HD13 LEU 63 3HD1 LEU 63 8.939 4.756 3.390
453 HD21 LEU 63 1HD2 LEU 63 8.561 5.642 5.603
454 HD22 LEU 63 2HD2 LEU 63 6.998 5.739 4.791
455 HD23 LEU 63 3HD2 LEU 63 7.606 7.122 5.703
456 H GLU 64 H GLU 64 11.313 9.866 3.624
457 HA GLU 64 HA GLU 64 13.766 9.631 4.866
458 HB2 GLU 64 1HB GLU 64 12.704 11.841 3.104
459 HB3 GLU 64 2HB GLU 64 14.389 11.715 3.588
460 HG2 GLU 64 1HG GLU 64 14.170 9.300 2.599
461 HG3 GLU 64 2HG GLU 64 12.819 10.014 1.721
462 H LYS 65 H LYS 65 11.362 12.215 5.233
463 HA LYS 65 HA LYS 65 12.731 13.965 6.849
464 HB2 LYS 65 1HB LYS 65 10.399 14.241 5.937
465 HB3 LYS 65 2HB LYS 65 9.833 13.211 7.245
466 HG2 LYS 65 1HG LYS 65 10.600 14.808 8.887
467 HG3 LYS 65 2HG LYS 65 11.291 15.820 7.616
468 HD2 LYS 65 1HD LYS 65 8.387 15.104 7.550
469 HD3 LYS 65 2HD LYS 65 8.953 16.400 8.606
470 HE2 LYS 65 1HE LYS 65 9.588 16.284 5.666
471 HE3 LYS 65 2HE LYS 65 8.158 17.093 6.305
472 HZ1 LYS 65 1HZ LYS 65 10.187 18.518 5.912
473 HZ2 LYS 65 2HZ LYS 65 10.887 17.746 7.244
474 HZ3 LYS 65 3HZ LYS 65 9.470 18.649 7.439
475 H SER 66 H SER 66 10.805 11.164 7.907
476 HA SER 66 HA SER 66 11.419 11.475 10.658
477 HB2 SER 66 1HB SER 66 10.350 9.157 9.047
478 HB3 SER 66 2HB SER 66 10.607 9.058 10.789
479 HG SER 66 HG SER 66 9.016 11.040 9.529
480 H GLY 67 H GLY 67 12.562 9.061 8.286
481 HA2 GLY 67 1HA GLY 67 15.179 9.051 8.455
482 HA3 GLY 67 2HA GLY 67 14.810 8.447 10.064
483 H HIS 68 H HIS 68 13.221 7.746 6.970
484 HA HIS 68 HA HIS 68 14.073 4.942 7.263
485 HB2 HIS 68 1HB HIS 68 11.347 5.985 6.478
486 HB3 HIS 68 2HB HIS 68 11.844 4.305 6.291
487 HD1 HIS 68 1HD HIS 68 12.834 3.318 8.763
488 HD2 HIS 68 2HD HIS 68 9.987 6.344 8.773
489 HE1 HIS 68 1HE HIS 68 11.785 3.246 11.047
490 H GLY 69 H GLY 69 15.708 5.094 5.744
491 HA2 GLY 69 1HA GLY 69 14.787 5.576 2.977
492 HA3 GLY 69 2HA GLY 69 16.350 6.139 3.549
493 H GLN 70 H GLN 70 17.527 4.151 4.765
494 HA GLN 70 HA GLN 70 17.940 2.218 2.650
495 HB2 GLN 70 1HB GLN 70 19.851 1.474 3.992
496 HB3 GLN 70 2HB GLN 70 19.876 3.217 3.756
497 HG2 GLN 70 1HG GLN 70 18.945 3.520 6.005
498 HG3 GLN 70 2HG GLN 70 18.974 1.773 6.238
499 HE21 GLN 70 1HE2 GLN 70 20.667 4.635 6.600
500 HE22 GLN 70 2HE2 GLN 70 22.224 3.975 6.956
501 H SER 71 H SER 71 15.421 2.058 3.996
502 HA SER 71 HA SER 71 15.456 -0.060 5.906
503 HB2 SER 71 1HB SER 71 13.032 -0.043 5.691
504 HB3 SER 71 2HB SER 71 13.626 1.617 5.757
505 HG SER 71 HG SER 71 13.563 1.480 3.367
506 H GLY 72 H GLY 72 15.610 -2.179 5.576
507 HA2 GLY 72 1HA GLY 72 14.880 -4.173 4.429
508 HA3 GLY 72 2HA GLY 72 14.863 -3.250 2.934
509 HA PRO 73 HA PRO 73 19.099 -5.345 3.960
510 HB2 PRO 73 1HB PRO 73 18.711 -7.897 3.120
511 HB3 PRO 73 2HB PRO 73 18.462 -7.389 4.794
512 HG2 PRO 73 1HG PRO 73 16.447 -7.795 2.618
513 HG3 PRO 73 2HG PRO 73 16.365 -8.276 4.323
514 HD2 PRO 73 1HD PRO 73 15.110 -6.074 3.367
515 HD3 PRO 73 2HD PRO 73 15.755 -6.164 5.019
516 H SER 74 H SER 74 16.879 -6.284 1.335
517 HA SER 74 HA SER 74 18.961 -5.494 -0.590
518 HB2 SER 74 1HB SER 74 17.115 -7.882 -0.843
519 HB3 SER 74 2HB SER 74 18.275 -7.346 -2.058
520 HG SER 74 HG SER 74 19.209 -8.978 -0.848
521 H SER 75 H SER 75 18.053 -3.525 -1.062
522 HA SER 75 HA SER 75 15.275 -3.495 -2.009
523 HB2 SER 75 1HB SER 75 15.438 -1.036 -1.799
524 HB3 SER 75 2HB SER 75 15.804 -1.850 -0.278
525 HG SER 75 HG SER 75 17.761 -0.960 -2.130
526 H GLY 76 H GLY 76 17.101 -4.711 -3.701
527 HA2 GLY 76 1HA GLY 76 17.863 -4.683 -5.867
528 HA3 GLY 76 2HA GLY 76 16.615 -3.475 -6.137
Start of MODEL 4
1 H1 GLY 1 H GLY 1 18.258 -17.335 14.423
2 HA2 GLY 1 1HA GLY 1 16.709 -18.256 16.056
3 HA3 GLY 1 2HA GLY 1 16.699 -16.506 16.218
4 H SER 2 H SER 2 14.561 -16.839 17.145
5 HA SER 2 HA SER 2 12.492 -17.402 15.131
6 HB2 SER 2 1HB SER 2 10.973 -17.788 17.021
7 HB3 SER 2 2HB SER 2 12.403 -18.812 17.151
8 HG SER 2 HG SER 2 12.928 -17.828 18.932
9 H SER 3 H SER 3 12.541 -15.345 14.165
10 HA SER 3 HA SER 3 10.819 -13.428 15.374
11 HB2 SER 3 1HB SER 3 12.441 -11.543 15.425
12 HB3 SER 3 2HB SER 3 12.824 -12.801 16.600
13 HG SER 3 HG SER 3 14.048 -13.389 14.314
14 H GLY 4 H GLY 4 10.051 -11.909 13.901
15 HA2 GLY 4 1HA GLY 4 11.258 -11.811 11.244
16 HA3 GLY 4 2HA GLY 4 9.628 -12.459 11.347
17 H SER 5 H SER 5 11.559 -9.642 11.249
18 HA SER 5 HA SER 5 9.480 -7.850 12.154
19 HB2 SER 5 1HB SER 5 11.857 -7.323 12.556
20 HB3 SER 5 2HB SER 5 12.128 -7.241 10.815
21 HG SER 5 HG SER 5 11.361 -5.292 10.831
22 H SER 6 H SER 6 11.245 -8.222 9.074
23 HA SER 6 HA SER 6 10.661 -7.753 6.923
24 HB2 SER 6 1HB SER 6 9.151 -9.641 7.256
25 HB3 SER 6 2HB SER 6 7.934 -8.574 7.956
26 HG SER 6 HG SER 6 8.872 -7.892 5.435
27 H GLY 7 H GLY 7 10.955 -5.484 8.336
28 HA2 GLY 7 1HA GLY 7 10.194 -3.307 8.656
29 HA3 GLY 7 2HA GLY 7 9.929 -3.461 6.926
30 H SER 8 H SER 8 8.362 -4.161 10.040
31 HA SER 8 HA SER 8 5.741 -4.099 8.807
32 HB2 SER 8 1HB SER 8 4.939 -4.507 11.148
33 HB3 SER 8 2HB SER 8 6.077 -5.720 10.562
34 HG SER 8 HG SER 8 6.350 -4.650 12.773
35 H GLU 9 H GLU 9 7.887 -1.890 10.255
36 HA GLU 9 HA GLU 9 6.340 -0.074 11.587
37 HB2 GLU 9 1HB GLU 9 8.785 0.119 11.270
38 HB3 GLU 9 2HB GLU 9 8.517 0.599 9.600
39 HG2 GLU 9 1HG GLU 9 8.831 2.623 10.635
40 HG3 GLU 9 2HG GLU 9 7.074 2.484 10.634
41 H ALA 10 H ALA 10 6.548 -0.574 8.116
42 HA ALA 10 HA ALA 10 5.312 1.688 7.145
43 HB1 ALA 10 1HB ALA 10 5.191 0.592 5.176
44 HB2 ALA 10 2HB ALA 10 6.198 -0.586 6.019
45 HB3 ALA 10 3HB ALA 10 4.457 -0.842 5.895
46 H TRP 11 H TRP 11 3.849 -1.153 8.627
47 HA TRP 11 HA TRP 11 1.186 -0.746 8.008
48 HB2 TRP 11 1HB TRP 11 2.610 -2.009 10.309
49 HB3 TRP 11 2HB TRP 11 0.873 -1.751 10.441
50 HD1 TRP 11 HD TRP 11 3.146 -4.365 9.502
51 HE1 TRP 11 1HE TRP 11 2.058 -6.075 7.916
52 HE3 TRP 11 3HE TRP 11 -0.946 -1.655 8.069
53 HZ2 TRP 11 2HZ TRP 11 -0.231 -6.252 6.274
54 HZ3 TRP 11 3HZ TRP 11 -2.535 -2.667 6.487
55 HH2 TRP 11 HH TRP 11 -2.183 -4.917 5.608
56 H GLU 12 H GLU 12 3.211 0.942 10.295
57 HA GLU 12 HA GLU 12 1.277 2.156 11.891
58 HB2 GLU 12 1HB GLU 12 3.922 3.303 10.981
59 HB3 GLU 12 2HB GLU 12 2.969 3.885 12.338
60 HG2 GLU 12 1HG GLU 12 4.127 1.116 12.132
61 HG3 GLU 12 2HG GLU 12 4.879 2.458 12.992
62 H TYR 13 H TYR 13 2.047 2.664 8.592
63 HA TYR 13 HA TYR 13 0.591 5.217 8.557
64 HB2 TYR 13 1HB TYR 13 2.204 4.004 6.310
65 HB3 TYR 13 2HB TYR 13 1.607 5.655 6.428
66 HD1 TYR 13 2HD TYR 13 4.101 3.265 7.702
67 HD2 TYR 13 1HD TYR 13 2.782 7.310 7.705
68 HE1 TYR 13 2HE TYR 13 6.220 3.949 8.746
69 HE2 TYR 13 1HE TYR 13 4.898 8.006 8.749
70 HH TYR 13 HH TYR 13 6.777 6.390 10.350
71 H PHE 14 H PHE 14 -0.424 2.323 8.644
72 HA PHE 14 HA PHE 14 -2.550 2.744 6.718
73 HB2 PHE 14 1HB PHE 14 -0.839 0.249 6.648
74 HB3 PHE 14 2HB PHE 14 -2.329 0.484 5.740
75 HD1 PHE 14 1HD PHE 14 1.014 2.046 6.253
76 HD2 PHE 14 2HD PHE 14 -2.211 1.281 3.583
77 HE1 PHE 14 1HE PHE 14 2.301 3.054 4.414
78 HE2 PHE 14 2HE PHE 14 -0.929 2.287 1.740
79 HZ PHE 14 HZ PHE 14 1.331 3.175 2.154
80 H HIS 15 H HIS 15 -4.361 1.262 7.040
81 HA HIS 15 HA HIS 15 -4.354 -0.215 9.559
82 HB2 HIS 15 1HB HIS 15 -5.985 1.003 10.613
83 HB3 HIS 15 2HB HIS 15 -5.215 2.299 9.702
84 HD1 HIS 15 1HD HIS 15 -8.060 -0.167 9.097
85 HD2 HIS 15 2HD HIS 15 -7.031 3.795 8.389
86 HE1 HIS 15 1HE HIS 15 -10.054 0.851 7.952
87 H LEU 16 H LEU 16 -5.358 -2.104 9.340
88 HA LEU 16 HA LEU 16 -6.440 -2.977 6.915
89 HB2 LEU 16 1HB LEU 16 -6.783 -4.074 9.701
90 HB3 LEU 16 2HB LEU 16 -7.283 -4.914 8.234
91 HG LEU 16 HG LEU 16 -4.436 -4.131 8.847
92 HD11 LEU 16 1HD1 LEU 16 -6.050 -6.470 9.644
93 HD12 LEU 16 2HD1 LEU 16 -4.638 -5.746 10.412
94 HD13 LEU 16 3HD1 LEU 16 -4.437 -6.804 9.015
95 HD21 LEU 16 1HD2 LEU 16 -5.621 -5.984 6.782
96 HD22 LEU 16 2HD2 LEU 16 -3.902 -5.692 7.048
97 HD23 LEU 16 3HD2 LEU 16 -4.940 -4.387 6.471
98 H ALA 17 H ALA 17 -8.475 -3.114 6.106
99 HA ALA 17 HA ALA 17 -10.520 -1.529 7.448
100 HB1 ALA 17 1HB ALA 17 -10.855 -2.780 4.750
101 HB2 ALA 17 2HB ALA 17 -11.559 -1.294 5.388
102 HB3 ALA 17 3HB ALA 17 -9.849 -1.346 4.958
103 HA PRO 18 HA PRO 18 -12.709 -5.055 8.944
104 HB2 PRO 18 1HB PRO 18 -15.119 -3.874 9.352
105 HB3 PRO 18 2HB PRO 18 -13.727 -3.604 10.406
106 HG2 PRO 18 1HG PRO 18 -14.779 -1.896 8.184
107 HG3 PRO 18 2HG PRO 18 -14.198 -1.412 9.788
108 HD2 PRO 18 1HD PRO 18 -12.674 -1.197 7.561
109 HD3 PRO 18 2HD PRO 18 -11.984 -1.534 9.161
110 H ALA 19 H ALA 19 -13.743 -6.698 7.984
111 HA ALA 19 HA ALA 19 -14.875 -6.291 5.342
112 HB1 ALA 19 1HB ALA 19 -15.191 -8.970 6.014
113 HB2 ALA 19 2HB ALA 19 -13.894 -8.265 5.048
114 HB3 ALA 19 3HB ALA 19 -13.678 -8.490 6.783
115 H ARG 20 H ARG 20 -15.980 -8.197 8.150
116 HA ARG 20 HA ARG 20 -18.141 -8.868 8.646
117 HB2 ARG 20 1HB ARG 20 -19.393 -7.041 9.616
118 HB3 ARG 20 2HB ARG 20 -17.684 -6.825 9.972
119 HG2 ARG 20 1HG ARG 20 -17.610 -5.268 7.974
120 HG3 ARG 20 2HG ARG 20 -19.373 -5.326 7.997
121 HD2 ARG 20 1HD ARG 20 -17.861 -4.675 10.492
122 HD3 ARG 20 2HD ARG 20 -18.118 -3.432 9.269
123 HE ARG 20 HE ARG 20 -20.022 -4.374 11.129
124 HH11 ARG 20 2HH1 ARG 20 -19.716 -3.383 7.806
125 HH12 ARG 20 1HH1 ARG 20 -21.360 -2.853 7.677
126 HH21 ARG 20 2HH2 ARG 20 -22.189 -3.679 10.971
127 HH22 ARG 20 1HH2 ARG 20 -22.765 -3.021 9.478
128 H ALA 21 H ALA 21 -17.787 -8.866 5.843
129 HA ALA 21 HA ALA 21 -20.489 -8.078 4.971
130 HB1 ALA 21 1HB ALA 21 -19.191 -6.562 3.803
131 HB2 ALA 21 2HB ALA 21 -17.867 -7.707 3.583
132 HB3 ALA 21 3HB ALA 21 -19.352 -7.886 2.649
133 H GLY 22 H GLY 22 -17.740 -10.058 3.827
134 HA2 GLY 22 1HA GLY 22 -19.238 -12.487 3.964
135 HA3 GLY 22 2HA GLY 22 -19.150 -11.880 2.318
136 H HIS 23 H HIS 23 -16.540 -10.775 2.455
137 HA HIS 23 HA HIS 23 -15.014 -13.209 2.130
138 HB2 HIS 23 1HB HIS 23 -13.188 -11.362 1.599
139 HB3 HIS 23 2HB HIS 23 -14.445 -11.768 0.434
140 HD1 HIS 23 1HD HIS 23 -14.592 -9.433 3.435
141 HD2 HIS 23 2HD HIS 23 -15.095 -9.394 -0.688
142 HE1 HIS 23 1HE HIS 23 -15.368 -7.108 2.875
143 H HIS 24 H HIS 24 -12.903 -13.524 3.096
144 HA HIS 24 HA HIS 24 -12.906 -13.365 5.870
145 HB2 HIS 24 1HB HIS 24 -10.701 -14.223 5.809
146 HB3 HIS 24 2HB HIS 24 -11.492 -14.871 4.375
147 HD1 HIS 24 1HD HIS 24 -8.898 -12.368 5.430
148 HD2 HIS 24 2HD HIS 24 -10.405 -14.069 1.952
149 HE1 HIS 24 1HE HIS 24 -7.314 -11.677 3.603
150 HA PRO 25 HA PRO 25 -11.607 -9.302 6.909
151 HB2 PRO 25 1HB PRO 25 -10.210 -9.776 9.187
152 HB3 PRO 25 2HB PRO 25 -11.972 -9.881 9.102
153 HG2 PRO 25 1HG PRO 25 -9.937 -12.074 8.999
154 HG3 PRO 25 2HG PRO 25 -11.476 -12.016 9.878
155 HD2 PRO 25 1HD PRO 25 -11.189 -13.332 7.529
156 HD3 PRO 25 2HD PRO 25 -12.710 -12.551 8.005
157 H ASN 26 H ASN 26 -9.652 -7.981 7.430
158 HA ASN 26 HA ASN 26 -7.559 -7.243 6.932
159 HB2 ASN 26 1HB ASN 26 -6.917 -10.196 7.077
160 HB3 ASN 26 2HB ASN 26 -5.708 -8.920 6.963
161 HD21 ASN 26 1HD2 ASN 26 -5.413 -10.486 9.026
162 HD22 ASN 26 2HD2 ASN 26 -5.949 -9.751 10.495
163 H GLN 27 H GLN 27 -9.355 -7.577 4.809
164 HA GLN 27 HA GLN 27 -8.161 -8.920 2.605
165 HB2 GLN 27 1HB GLN 27 -10.595 -8.360 2.805
166 HB3 GLN 27 2HB GLN 27 -10.180 -6.674 2.525
167 HG2 GLN 27 1HG GLN 27 -10.723 -7.269 0.410
168 HG3 GLN 27 2HG GLN 27 -9.013 -7.694 0.385
169 HE21 GLN 27 1HE2 GLN 27 -11.970 -8.734 -0.474
170 HE22 GLN 27 2HE2 GLN 27 -11.707 -10.441 -0.471
171 H TYR 28 H TYR 28 -8.786 -5.425 2.864
172 HA TYR 28 HA TYR 28 -6.187 -4.966 1.553
173 HB2 TYR 28 1HB TYR 28 -8.868 -3.727 1.161
174 HB3 TYR 28 2HB TYR 28 -7.454 -2.696 0.972
175 HD1 TYR 28 2HD TYR 28 -7.603 -6.289 0.105
176 HD2 TYR 28 1HD TYR 28 -7.604 -2.295 -1.362
177 HE1 TYR 28 2HE TYR 28 -7.297 -7.135 -2.184
178 HE2 TYR 28 1HE TYR 28 -7.299 -3.130 -3.655
179 HH TYR 28 HH TYR 28 -7.729 -6.370 -4.502
180 H ALA 29 H ALA 29 -5.253 -2.775 2.014
181 HA ALA 29 HA ALA 29 -5.638 -2.122 4.861
182 HB1 ALA 29 1HB ALA 29 -3.156 -1.629 3.228
183 HB2 ALA 29 2HB ALA 29 -3.340 -1.497 4.977
184 HB3 ALA 29 3HB ALA 29 -3.422 -3.077 4.199
185 H THR 30 H THR 30 -5.661 0.042 5.512
186 HA THR 30 HA THR 30 -6.237 1.952 3.345
187 HB THR 30 HB THR 30 -7.116 2.238 6.217
188 HG1 THR 30 1HG THR 30 -8.352 0.571 5.696
189 HG21 THR 30 1HG2 THR 30 -8.173 3.472 3.671
190 HG22 THR 30 2HG2 THR 30 -7.079 4.272 4.800
191 HG23 THR 30 3HG2 THR 30 -8.705 3.825 5.315
192 H CYS 31 H CYS 31 -4.565 3.246 2.962
193 HA CYS 31 HA CYS 31 -2.406 3.694 4.680
194 HB2 CYS 31 1HB CYS 31 -2.584 4.100 2.144
195 HB3 CYS 31 2HB CYS 31 -3.270 5.663 2.572
196 H ARG 32 H ARG 32 -2.376 4.731 6.551
197 HA ARG 32 HA ARG 32 -4.457 6.556 7.309
198 HB2 ARG 32 1HB ARG 32 -1.883 5.838 8.725
199 HB3 ARG 32 2HB ARG 32 -3.222 6.733 9.430
200 HG2 ARG 32 1HG ARG 32 -4.671 4.768 9.112
201 HG3 ARG 32 2HG ARG 32 -3.283 3.876 8.485
202 HD2 ARG 32 1HD ARG 32 -3.517 3.282 10.774
203 HD3 ARG 32 2HD ARG 32 -2.120 4.351 10.656
204 HE ARG 32 HE ARG 32 -4.089 6.069 11.257
205 HH11 ARG 32 2HH1 ARG 32 -3.151 3.021 12.653
206 HH12 ARG 32 1HH1 ARG 32 -3.694 3.434 14.245
207 HH21 ARG 32 2HH2 ARG 32 -4.808 6.625 13.349
208 HH22 ARG 32 1HH2 ARG 32 -4.637 5.484 14.640
209 H LEU 33 H LEU 33 -1.805 6.937 5.408
210 HA LEU 33 HA LEU 33 -1.062 9.584 6.362
211 HB2 LEU 33 1HB LEU 33 -0.026 7.713 4.280
212 HB3 LEU 33 2HB LEU 33 0.387 9.424 4.191
213 HG LEU 33 HG LEU 33 0.997 7.604 6.520
214 HD11 LEU 33 1HD1 LEU 33 3.070 8.798 4.749
215 HD12 LEU 33 2HD1 LEU 33 2.219 7.350 4.212
216 HD13 LEU 33 3HD1 LEU 33 3.126 7.330 5.725
217 HD21 LEU 33 1HD2 LEU 33 0.715 9.868 7.263
218 HD22 LEU 33 2HD2 LEU 33 1.715 10.475 5.943
219 HD23 LEU 33 3HD2 LEU 33 2.439 9.501 7.225
220 H CYS 34 H CYS 34 -2.267 8.155 3.325
221 HA CYS 34 HA CYS 34 -3.326 10.801 2.594
222 HB2 CYS 34 1HB CYS 34 -3.345 9.992 0.281
223 HB3 CYS 34 2HB CYS 34 -1.736 9.852 0.982
224 H GLY 35 H GLY 35 -4.134 7.367 2.815
225 HA2 GLY 35 1HA GLY 35 -6.314 6.748 3.676
226 HA3 GLY 35 2HA GLY 35 -6.980 8.143 2.840
227 H ARG 36 H ARG 36 -4.631 6.135 1.261
228 HA ARG 36 HA ARG 36 -6.687 5.313 -0.652
229 HB2 ARG 36 1HB ARG 36 -3.742 5.713 -0.766
230 HB3 ARG 36 2HB ARG 36 -4.431 4.488 -1.823
231 HG2 ARG 36 1HG ARG 36 -6.110 6.458 -2.391
232 HG3 ARG 36 2HG ARG 36 -4.731 7.434 -1.879
233 HD2 ARG 36 1HD ARG 36 -4.230 7.212 -4.092
234 HD3 ARG 36 2HD ARG 36 -3.426 5.772 -3.468
235 HE ARG 36 HE ARG 36 -6.082 5.146 -4.168
236 HH11 ARG 36 2HH1 ARG 36 -3.016 5.938 -5.616
237 HH12 ARG 36 1HH1 ARG 36 -3.332 5.061 -7.076
238 HH21 ARG 36 2HH2 ARG 36 -6.509 3.988 -6.086
239 HH22 ARG 36 1HH2 ARG 36 -5.319 3.953 -7.343
240 H GLN 37 H GLN 37 -6.783 3.134 -1.426
241 HA GLN 37 HA GLN 37 -6.362 1.207 0.692
242 HB2 GLN 37 1HB GLN 37 -7.545 0.769 -2.053
243 HB3 GLN 37 2HB GLN 37 -7.671 -0.307 -0.668
244 HG2 GLN 37 1HG GLN 37 -9.736 0.883 -0.955
245 HG3 GLN 37 2HG GLN 37 -8.950 1.418 0.529
246 HE21 GLN 37 1HE2 GLN 37 -9.049 3.511 0.846
247 HE22 GLN 37 2HE2 GLN 37 -9.089 4.732 -0.375
248 H VAL 38 H VAL 38 -4.744 -0.209 0.814
249 HA VAL 38 HA VAL 38 -3.198 -0.816 -1.611
250 HB VAL 38 HB VAL 38 -1.990 -0.143 1.076
251 HG11 VAL 38 1HG1 VAL 38 -0.510 -0.685 -1.481
252 HG12 VAL 38 2HG1 VAL 38 0.125 -0.603 0.164
253 HG13 VAL 38 3HG1 VAL 38 -0.887 -1.963 -0.326
254 HG21 VAL 38 1HG2 VAL 38 -2.702 1.865 -0.019
255 HG22 VAL 38 2HG2 VAL 38 -0.950 1.741 -0.186
256 HG23 VAL 38 3HG2 VAL 38 -1.996 1.341 -1.548
257 H SER 39 H SER 39 -3.504 -2.922 -1.923
258 HA SER 39 HA SER 39 -3.977 -4.728 0.279
259 HB2 SER 39 1HB SER 39 -5.118 -4.876 -1.983
260 HB3 SER 39 2HB SER 39 -3.584 -5.463 -2.626
261 HG SER 39 HG SER 39 -3.782 -7.290 -1.482
262 H ARG 40 H ARG 40 -2.721 -6.621 0.711
263 HA ARG 40 HA ARG 40 -0.018 -6.191 1.076
264 HB2 ARG 40 1HB ARG 40 -1.457 -8.835 0.797
265 HB3 ARG 40 2HB ARG 40 0.157 -8.631 1.464
266 HG2 ARG 40 1HG ARG 40 -2.055 -7.064 2.671
267 HG3 ARG 40 2HG ARG 40 -1.978 -8.796 3.002
268 HD2 ARG 40 1HD ARG 40 0.394 -6.983 3.349
269 HD3 ARG 40 2HD ARG 40 -0.785 -7.245 4.633
270 HE ARG 40 HE ARG 40 0.029 -9.748 3.761
271 HH11 ARG 40 2HH1 ARG 40 1.450 -6.943 5.256
272 HH12 ARG 40 1HH1 ARG 40 2.667 -7.846 6.096
273 HH21 ARG 40 2HH2 ARG 40 1.626 -10.947 4.862
274 HH22 ARG 40 1HH2 ARG 40 2.767 -10.123 5.870
275 H GLY 41 H GLY 41 -1.647 -7.882 -1.581
276 HA2 GLY 41 1HA GLY 41 -0.859 -8.648 -3.603
277 HA3 GLY 41 2HA GLY 41 0.076 -7.160 -3.591
278 HA PRO 42 HA PRO 42 2.935 -10.864 -3.615
279 HB2 PRO 42 1HB PRO 42 4.302 -10.138 -5.845
280 HB3 PRO 42 2HB PRO 42 2.832 -11.117 -5.896
281 HG2 PRO 42 1HG PRO 42 3.170 -8.180 -6.369
282 HG3 PRO 42 2HG PRO 42 2.193 -9.353 -7.271
283 HD2 PRO 42 1HD PRO 42 1.124 -7.671 -5.438
284 HD3 PRO 42 2HD PRO 42 0.478 -9.298 -5.732
285 H GLY 43 H GLY 43 5.192 -10.852 -3.176
286 HA2 GLY 43 1HA GLY 43 7.099 -10.009 -2.216
287 HA3 GLY 43 2HA GLY 43 6.877 -8.630 -3.282
288 H VAL 44 H VAL 44 5.359 -9.955 -0.336
289 HA VAL 44 HA VAL 44 5.436 -7.230 0.789
290 HB VAL 44 HB VAL 44 3.133 -7.848 0.311
291 HG11 VAL 44 1HG1 VAL 44 2.145 -9.826 0.850
292 HG12 VAL 44 2HG1 VAL 44 3.808 -10.392 0.691
293 HG13 VAL 44 3HG1 VAL 44 3.138 -10.059 2.288
294 HG21 VAL 44 1HG2 VAL 44 4.019 -6.794 2.609
295 HG22 VAL 44 2HG2 VAL 44 2.307 -7.036 2.259
296 HG23 VAL 44 3HG2 VAL 44 3.180 -8.210 3.245
297 H ASN 45 H ASN 45 5.681 -10.687 1.420
298 HA ASN 45 HA ASN 45 6.447 -10.271 4.181
299 HB2 ASN 45 1HB ASN 45 6.786 -12.775 4.140
300 HB3 ASN 45 2HB ASN 45 5.152 -12.235 3.762
301 HD21 ASN 45 1HD2 ASN 45 4.294 -12.672 1.802
302 HD22 ASN 45 2HD2 ASN 45 5.098 -13.585 0.575
303 H VAL 46 H VAL 46 7.977 -11.097 1.120
304 HA VAL 46 HA VAL 46 10.420 -12.003 1.691
305 HB VAL 46 HB VAL 46 9.784 -11.355 -0.572
306 HG11 VAL 46 1HG1 VAL 46 8.866 -9.078 0.338
307 HG12 VAL 46 2HG1 VAL 46 10.493 -8.508 -0.039
308 HG13 VAL 46 3HG1 VAL 46 9.483 -9.200 -1.309
309 HG21 VAL 46 1HG2 VAL 46 12.098 -11.742 -0.306
310 HG22 VAL 46 2HG2 VAL 46 11.968 -10.250 -1.237
311 HG23 VAL 46 3HG2 VAL 46 12.346 -10.185 0.484
312 H GLY 47 H GLY 47 9.452 -8.610 2.114
313 HA2 GLY 47 1HA GLY 47 10.886 -8.132 4.424
314 HA3 GLY 47 2HA GLY 47 11.991 -7.768 3.106
315 H THR 48 H THR 48 10.624 -6.489 1.268
316 HA THR 48 HA THR 48 9.978 -3.985 2.545
317 HB THR 48 HB THR 48 9.815 -4.624 -0.402
318 HG1 THR 48 1HG THR 48 11.919 -5.068 0.580
319 HG21 THR 48 1HG2 THR 48 10.667 -2.024 -0.068
320 HG22 THR 48 2HG2 THR 48 9.480 -2.225 1.221
321 HG23 THR 48 3HG2 THR 48 9.023 -2.529 -0.454
322 H THR 49 H THR 49 8.035 -4.324 3.624
323 HA THR 49 HA THR 49 5.756 -5.578 2.772
324 HB THR 49 HB THR 49 5.610 -2.945 4.227
325 HG1 THR 49 1HG THR 49 6.977 -5.186 4.946
326 HG21 THR 49 1HG2 THR 49 4.025 -4.980 5.383
327 HG22 THR 49 2HG2 THR 49 3.777 -5.059 3.639
328 HG23 THR 49 3HG2 THR 49 3.485 -3.550 4.504
329 H ALA 50 H ALA 50 4.317 -5.283 1.200
330 HA ALA 50 HA ALA 50 4.502 -3.734 -0.965
331 HB1 ALA 50 1HB ALA 50 2.399 -4.368 -1.491
332 HB2 ALA 50 2HB ALA 50 2.591 -5.392 -0.067
333 HB3 ALA 50 3HB ALA 50 1.738 -3.854 0.061
334 H LEU 51 H LEU 51 3.226 -2.661 2.137
335 HA LEU 51 HA LEU 51 2.168 -0.200 1.385
336 HB2 LEU 51 1HB LEU 51 3.633 -0.704 3.962
337 HB3 LEU 51 2HB LEU 51 2.321 0.435 3.669
338 HG LEU 51 HG LEU 51 2.011 -2.563 3.580
339 HD11 LEU 51 1HD1 LEU 51 0.665 -1.922 5.755
340 HD12 LEU 51 2HD1 LEU 51 1.844 -0.612 5.815
341 HD13 LEU 51 3HD1 LEU 51 2.390 -2.289 5.812
342 HD21 LEU 51 1HD2 LEU 51 0.172 -0.235 3.265
343 HD22 LEU 51 2HD2 LEU 51 -0.434 -1.731 3.976
344 HD23 LEU 51 3HD2 LEU 51 0.250 -1.740 2.349
345 H TRP 52 H TRP 52 5.471 -1.001 2.423
346 HA TRP 52 HA TRP 52 6.619 1.488 2.449
347 HB2 TRP 52 1HB TRP 52 7.722 -1.186 1.611
348 HB3 TRP 52 2HB TRP 52 8.727 0.261 1.623
349 HD1 TRP 52 HD TRP 52 7.517 -2.462 3.837
350 HE1 TRP 52 1HE TRP 52 8.206 -2.003 6.274
351 HE3 TRP 52 3HE TRP 52 8.999 2.407 3.358
352 HZ2 TRP 52 2HZ TRP 52 9.240 0.140 7.793
353 HZ3 TRP 52 3HZ TRP 52 9.825 3.590 5.351
354 HH2 TRP 52 HH TRP 52 9.941 2.478 7.522
355 H LYS 53 H LYS 53 6.123 -0.610 -0.370
356 HA LYS 53 HA LYS 53 7.398 0.918 -2.298
357 HB2 LYS 53 1HB LYS 53 5.123 -1.017 -2.350
358 HB3 LYS 53 2HB LYS 53 5.464 -0.083 -3.800
359 HG2 LYS 53 1HG LYS 53 7.574 -1.044 -4.067
360 HG3 LYS 53 2HG LYS 53 7.614 -1.634 -2.404
361 HD2 LYS 53 1HD LYS 53 5.774 -3.189 -2.946
362 HD3 LYS 53 2HD LYS 53 5.824 -2.632 -4.620
363 HE2 LYS 53 1HE LYS 53 7.142 -4.499 -4.766
364 HE3 LYS 53 2HE LYS 53 8.363 -3.276 -4.417
365 HZ1 LYS 53 1HZ LYS 53 7.138 -5.177 -2.497
366 HZ2 LYS 53 2HZ LYS 53 8.144 -3.897 -2.039
367 HZ3 LYS 53 3HZ LYS 53 8.749 -5.140 -3.013
368 H HIS 54 H HIS 54 4.209 1.303 -0.876
369 HA HIS 54 HA HIS 54 3.407 3.369 -2.710
370 HB2 HIS 54 1HB HIS 54 1.725 1.929 -1.679
371 HB3 HIS 54 2HB HIS 54 2.206 2.482 -0.078
372 HD1 HIS 54 1HD HIS 54 0.849 4.013 -3.290
373 HD2 HIS 54 2HD HIS 54 0.689 4.525 0.830
374 HE1 HIS 54 1HE HIS 54 -0.786 5.885 -2.908
375 H LEU 55 H LEU 55 4.564 3.231 0.634
376 HA LEU 55 HA LEU 55 4.311 5.956 1.235
377 HB2 LEU 55 1HB LEU 55 6.252 3.895 2.265
378 HB3 LEU 55 2HB LEU 55 6.064 5.506 2.954
379 HG LEU 55 HG LEU 55 3.757 3.590 2.785
380 HD11 LEU 55 1HD1 LEU 55 4.951 3.745 5.402
381 HD12 LEU 55 2HD1 LEU 55 6.092 3.095 4.224
382 HD13 LEU 55 3HD1 LEU 55 4.519 2.329 4.444
383 HD21 LEU 55 1HD2 LEU 55 3.637 6.149 3.300
384 HD22 LEU 55 2HD2 LEU 55 4.214 5.655 4.892
385 HD23 LEU 55 3HD2 LEU 55 2.700 5.005 4.260
386 H LYS 56 H LYS 56 7.074 4.129 -0.051
387 HA LYS 56 HA LYS 56 8.712 6.470 -0.316
388 HB2 LYS 56 1HB LYS 56 9.124 3.778 -1.621
389 HB3 LYS 56 2HB LYS 56 10.340 5.011 -1.315
390 HG2 LYS 56 1HG LYS 56 10.538 4.473 0.884
391 HG3 LYS 56 2HG LYS 56 8.864 3.930 1.017
392 HD2 LYS 56 1HD LYS 56 10.043 1.942 1.163
393 HD3 LYS 56 2HD LYS 56 9.630 2.009 -0.552
394 HE2 LYS 56 1HE LYS 56 12.193 3.235 0.319
395 HE3 LYS 56 2HE LYS 56 12.089 1.476 0.286
396 HZ1 LYS 56 1HZ LYS 56 11.524 1.535 -2.019
397 HZ2 LYS 56 2HZ LYS 56 12.917 2.469 -1.804
398 HZ3 LYS 56 3HZ LYS 56 11.418 3.224 -2.017
399 H SER 57 H SER 57 6.146 5.245 -2.075
400 HA SER 57 HA SER 57 7.079 6.057 -4.689
401 HB2 SER 57 1HB SER 57 5.610 4.200 -4.730
402 HB3 SER 57 2HB SER 57 4.458 4.985 -3.650
403 HG SER 57 HG SER 57 4.765 5.217 -6.376
404 H MET 58 H MET 58 4.841 7.244 -2.225
405 HA MET 58 HA MET 58 4.782 9.825 -3.643
406 HB2 MET 58 1HB MET 58 2.499 10.164 -3.007
407 HB3 MET 58 2HB MET 58 2.610 8.585 -3.774
408 HG2 MET 58 1HG MET 58 2.308 7.450 -1.778
409 HG3 MET 58 2HG MET 58 2.779 8.840 -0.803
410 HE1 MET 58 1HE MET 58 -0.194 7.784 -3.435
411 HE2 MET 58 2HE MET 58 -1.009 9.342 -3.297
412 HE3 MET 58 3HE MET 58 0.663 9.268 -3.856
413 H HIS 59 H HIS 59 4.814 8.115 -0.583
414 HA HIS 59 HA HIS 59 5.086 10.612 0.904
415 HB2 HIS 59 1HB HIS 59 4.987 7.759 1.905
416 HB3 HIS 59 2HB HIS 59 4.950 9.207 2.907
417 HD1 HIS 59 1HD HIS 59 2.776 10.781 2.509
418 HD2 HIS 59 2HD HIS 59 2.541 6.878 1.107
419 HE1 HIS 59 1HE HIS 59 0.325 10.337 2.164
420 H ARG 60 H ARG 60 7.162 9.562 -0.959
421 HA ARG 60 HA ARG 60 9.338 8.449 0.357
422 HB2 ARG 60 1HB ARG 60 9.367 8.630 -2.028
423 HB3 ARG 60 2HB ARG 60 9.217 10.381 -1.957
424 HG2 ARG 60 1HG ARG 60 11.438 10.597 -1.082
425 HG3 ARG 60 2HG ARG 60 11.593 8.845 -0.931
426 HD2 ARG 60 1HD ARG 60 10.949 9.990 -3.601
427 HD3 ARG 60 2HD ARG 60 12.596 10.154 -2.995
428 HE ARG 60 HE ARG 60 11.652 7.478 -2.764
429 HH11 ARG 60 2HH1 ARG 60 12.931 9.802 -5.019
430 HH12 ARG 60 1HH1 ARG 60 13.601 8.603 -6.075
431 HH21 ARG 60 2HH2 ARG 60 12.529 5.890 -4.146
432 HH22 ARG 60 1HH2 ARG 60 13.371 6.378 -5.578
433 H GLU 61 H GLU 61 8.230 11.780 0.244
434 HA GLU 61 HA GLU 61 10.561 12.872 1.494
435 HB2 GLU 61 1HB GLU 61 7.783 14.006 1.128
436 HB3 GLU 61 2HB GLU 61 9.154 14.913 1.753
437 HG2 GLU 61 1HG GLU 61 10.291 14.805 -0.312
438 HG3 GLU 61 2HG GLU 61 9.179 13.591 -0.942
439 H GLU 62 H GLU 62 7.372 11.836 2.599
440 HA GLU 62 HA GLU 62 7.538 12.772 5.235
441 HB2 GLU 62 1HB GLU 62 5.418 12.058 4.430
442 HB3 GLU 62 2HB GLU 62 6.036 10.469 4.002
443 HG2 GLU 62 1HG GLU 62 4.890 10.001 5.924
444 HG3 GLU 62 2HG GLU 62 6.514 10.274 6.554
445 H LEU 63 H LEU 63 8.328 9.566 3.903
446 HA LEU 63 HA LEU 63 9.151 8.336 6.247
447 HB2 LEU 63 1HB LEU 63 10.339 7.948 3.504
448 HB3 LEU 63 2HB LEU 63 10.412 6.809 4.848
449 HG LEU 63 HG LEU 63 7.896 7.636 3.399
450 HD11 LEU 63 1HD1 LEU 63 7.953 5.546 2.300
451 HD12 LEU 63 2HD1 LEU 63 9.300 4.979 3.286
452 HD13 LEU 63 3HD1 LEU 63 9.555 6.253 2.093
453 HD21 LEU 63 1HD2 LEU 63 8.464 5.880 5.743
454 HD22 LEU 63 2HD2 LEU 63 7.145 5.464 4.647
455 HD23 LEU 63 3HD2 LEU 63 7.142 7.018 5.481
456 H GLU 64 H GLU 64 11.289 9.835 3.809
457 HA GLU 64 HA GLU 64 13.657 9.679 5.223
458 HB2 GLU 64 1HB GLU 64 12.773 11.869 3.334
459 HB3 GLU 64 2HB GLU 64 14.431 11.575 3.838
460 HG2 GLU 64 1HG GLU 64 14.385 9.388 2.780
461 HG3 GLU 64 2HG GLU 64 12.706 9.642 2.306
462 H LYS 65 H LYS 65 11.179 12.204 5.330
463 HA LYS 65 HA LYS 65 12.479 14.054 6.940
464 HB2 LYS 65 1HB LYS 65 10.195 14.218 5.766
465 HB3 LYS 65 2HB LYS 65 9.541 13.453 7.208
466 HG2 LYS 65 1HG LYS 65 10.323 15.280 8.580
467 HG3 LYS 65 2HG LYS 65 11.100 16.029 7.183
468 HD2 LYS 65 1HD LYS 65 8.143 15.474 7.342
469 HD3 LYS 65 2HD LYS 65 8.874 17.006 7.828
470 HE2 LYS 65 1HE LYS 65 9.885 17.101 5.510
471 HE3 LYS 65 2HE LYS 65 8.831 15.751 5.092
472 HZ1 LYS 65 1HZ LYS 65 7.130 17.506 6.239
473 HZ2 LYS 65 2HZ LYS 65 7.367 17.334 4.573
474 HZ3 LYS 65 3HZ LYS 65 8.196 18.538 5.426
475 H SER 66 H SER 66 10.585 11.208 7.863
476 HA SER 66 HA SER 66 11.019 11.701 10.684
477 HB2 SER 66 1HB SER 66 9.495 9.684 9.085
478 HB3 SER 66 2HB SER 66 9.911 9.306 10.756
479 HG SER 66 HG SER 66 8.863 11.824 10.365
480 H GLY 67 H GLY 67 13.397 11.385 9.155
481 HA2 GLY 67 1HA GLY 67 15.313 10.089 8.981
482 HA3 GLY 67 2HA GLY 67 15.041 9.932 10.710
483 H HIS 68 H HIS 68 14.145 8.488 7.593
484 HA HIS 68 HA HIS 68 14.142 5.864 8.927
485 HB2 HIS 68 1HB HIS 68 12.088 7.091 7.159
486 HB3 HIS 68 2HB HIS 68 12.412 5.373 6.947
487 HD1 HIS 68 1HD HIS 68 12.368 4.042 9.429
488 HD2 HIS 68 2HD HIS 68 10.156 7.531 8.985
489 HE1 HIS 68 1HE HIS 68 10.642 3.982 11.258
490 H GLY 69 H GLY 69 14.421 7.568 5.819
491 HA2 GLY 69 1HA GLY 69 15.446 6.902 3.847
492 HA3 GLY 69 2HA GLY 69 16.798 6.666 4.945
493 H GLN 70 H GLN 70 17.504 4.635 5.376
494 HA GLN 70 HA GLN 70 16.527 2.528 3.676
495 HB2 GLN 70 1HB GLN 70 18.406 1.258 4.438
496 HB3 GLN 70 2HB GLN 70 18.953 2.908 4.170
497 HG2 GLN 70 1HG GLN 70 18.176 1.836 6.868
498 HG3 GLN 70 2HG GLN 70 19.823 1.808 6.240
499 HE21 GLN 70 1HE2 GLN 70 20.923 3.765 5.939
500 HE22 GLN 70 2HE2 GLN 70 20.429 5.213 6.740
501 H SER 71 H SER 71 15.299 0.814 4.213
502 HA SER 71 HA SER 71 14.025 0.842 6.818
503 HB2 SER 71 1HB SER 71 12.539 -0.875 5.865
504 HB3 SER 71 2HB SER 71 12.646 0.533 4.809
505 HG SER 71 HG SER 71 12.846 -1.533 3.728
506 H GLY 72 H GLY 72 16.166 -1.236 4.938
507 HA2 GLY 72 1HA GLY 72 16.811 -2.679 7.414
508 HA3 GLY 72 2HA GLY 72 16.342 -3.606 5.997
509 HA PRO 73 HA PRO 73 20.969 -2.299 6.064
510 HB2 PRO 73 1HB PRO 73 22.077 -4.431 7.329
511 HB3 PRO 73 2HB PRO 73 21.573 -2.965 8.179
512 HG2 PRO 73 1HG PRO 73 20.145 -5.581 7.904
513 HG3 PRO 73 2HG PRO 73 20.330 -4.553 9.337
514 HD2 PRO 73 1HD PRO 73 18.069 -4.582 7.847
515 HD3 PRO 73 2HD PRO 73 18.642 -3.125 8.685
516 H SER 74 H SER 74 18.958 -4.818 5.108
517 HA SER 74 HA SER 74 20.889 -6.430 3.734
518 HB2 SER 74 1HB SER 74 17.904 -6.322 3.259
519 HB3 SER 74 2HB SER 74 19.001 -7.642 2.856
520 HG SER 74 HG SER 74 19.417 -7.467 5.312
521 H SER 75 H SER 75 21.752 -6.112 1.792
522 HA SER 75 HA SER 75 21.333 -3.742 0.335
523 HB2 SER 75 1HB SER 75 22.607 -6.315 -0.628
524 HB3 SER 75 2HB SER 75 22.816 -4.716 -1.343
525 HG SER 75 HG SER 75 24.214 -5.807 0.609
526 H GLY 76 H GLY 76 20.297 -7.086 -0.295
527 HA2 GLY 76 1HA GLY 76 17.810 -6.768 -1.194
528 HA3 GLY 76 2HA GLY 76 18.727 -6.214 -2.587
Start of MODEL 5
1 H1 GLY 1 H GLY 1 10.267 -18.830 16.195
2 HA2 GLY 1 1HA GLY 1 12.009 -19.980 14.584
3 HA3 GLY 1 2HA GLY 1 10.764 -18.942 13.905
4 H SER 2 H SER 2 13.409 -19.477 12.856
5 HA SER 2 HA SER 2 14.984 -17.106 13.330
6 HB2 SER 2 1HB SER 2 15.853 -19.470 12.734
7 HB3 SER 2 2HB SER 2 15.436 -19.046 11.073
8 HG SER 2 HG SER 2 17.643 -18.462 12.292
9 H SER 3 H SER 3 12.454 -16.388 12.497
10 HA SER 3 HA SER 3 12.382 -15.897 9.675
11 HB2 SER 3 1HB SER 3 10.334 -16.146 11.079
12 HB3 SER 3 2HB SER 3 10.721 -14.610 11.854
13 HG SER 3 HG SER 3 10.273 -14.979 9.074
14 H GLY 4 H GLY 4 12.801 -13.799 12.529
15 HA2 GLY 4 1HA GLY 4 13.603 -11.643 12.696
16 HA3 GLY 4 2HA GLY 4 14.881 -12.268 11.664
17 H SER 5 H SER 5 11.759 -10.640 11.684
18 HA SER 5 HA SER 5 12.447 -9.478 9.068
19 HB2 SER 5 1HB SER 5 9.754 -10.488 9.996
20 HB3 SER 5 2HB SER 5 9.962 -9.439 8.594
21 HG SER 5 HG SER 5 11.286 -11.052 7.675
22 H SER 6 H SER 6 13.085 -7.489 9.695
23 HA SER 6 HA SER 6 11.351 -5.979 11.525
24 HB2 SER 6 1HB SER 6 13.268 -4.473 11.830
25 HB3 SER 6 2HB SER 6 13.716 -6.141 12.186
26 HG SER 6 HG SER 6 14.283 -5.991 9.731
27 H GLY 7 H GLY 7 9.788 -5.599 9.829
28 HA2 GLY 7 1HA GLY 7 10.300 -3.122 8.461
29 HA3 GLY 7 2HA GLY 7 10.152 -4.488 7.365
30 H SER 8 H SER 8 8.391 -3.991 10.385
31 HA SER 8 HA SER 8 5.893 -4.118 8.853
32 HB2 SER 8 1HB SER 8 4.824 -4.761 10.948
33 HB3 SER 8 2HB SER 8 6.226 -5.790 10.656
34 HG SER 8 HG SER 8 7.382 -4.586 12.153
35 H GLU 9 H GLU 9 7.885 -1.909 10.409
36 HA GLU 9 HA GLU 9 6.259 -0.157 11.744
37 HB2 GLU 9 1HB GLU 9 8.818 -0.068 11.152
38 HB3 GLU 9 2HB GLU 9 8.271 0.946 9.824
39 HG2 GLU 9 1HG GLU 9 8.842 2.433 11.529
40 HG3 GLU 9 2HG GLU 9 7.083 2.343 11.576
41 H ALA 10 H ALA 10 6.553 -0.615 8.278
42 HA ALA 10 HA ALA 10 5.319 1.637 7.290
43 HB1 ALA 10 1HB ALA 10 4.411 -0.772 5.936
44 HB2 ALA 10 2HB ALA 10 5.408 0.555 5.341
45 HB3 ALA 10 3HB ALA 10 6.148 -0.768 6.241
46 H TRP 11 H TRP 11 3.859 -1.175 8.808
47 HA TRP 11 HA TRP 11 1.202 -0.830 8.125
48 HB2 TRP 11 1HB TRP 11 2.609 -2.005 10.478
49 HB3 TRP 11 2HB TRP 11 0.871 -1.745 10.599
50 HD1 TRP 11 HD TRP 11 3.218 -4.334 9.642
51 HE1 TRP 11 1HE TRP 11 2.110 -6.117 8.153
52 HE3 TRP 11 3HE TRP 11 -1.039 -1.802 8.373
53 HZ2 TRP 11 2HZ TRP 11 -0.255 -6.411 6.640
54 HZ3 TRP 11 3HZ TRP 11 -2.673 -2.905 6.901
55 HH2 TRP 11 HH TRP 11 -2.287 -5.162 6.053
56 H GLU 12 H GLU 12 3.152 0.945 10.419
57 HA GLU 12 HA GLU 12 1.164 2.191 11.917
58 HB2 GLU 12 1HB GLU 12 3.821 3.344 11.048
59 HB3 GLU 12 2HB GLU 12 2.826 3.944 12.367
60 HG2 GLU 12 1HG GLU 12 4.069 1.206 12.240
61 HG3 GLU 12 2HG GLU 12 4.711 2.578 13.141
62 H TYR 13 H TYR 13 1.927 2.542 8.621
63 HA TYR 13 HA TYR 13 0.478 5.098 8.470
64 HB2 TYR 13 1HB TYR 13 2.179 3.843 6.312
65 HB3 TYR 13 2HB TYR 13 1.545 5.485 6.354
66 HD1 TYR 13 2HD TYR 13 4.083 3.205 7.706
67 HD2 TYR 13 1HD TYR 13 2.610 7.196 7.686
68 HE1 TYR 13 2HE TYR 13 6.154 3.969 8.790
69 HE2 TYR 13 1HE TYR 13 4.677 7.972 8.768
70 HH TYR 13 HH TYR 13 7.049 7.202 8.971
71 H PHE 14 H PHE 14 -0.523 2.219 8.639
72 HA PHE 14 HA PHE 14 -2.575 2.533 6.614
73 HB2 PHE 14 1HB PHE 14 -0.796 0.089 6.717
74 HB3 PHE 14 2HB PHE 14 -2.302 0.183 5.811
75 HD1 PHE 14 1HD PHE 14 1.105 1.579 6.089
76 HD2 PHE 14 2HD PHE 14 -2.387 1.193 3.687
77 HE1 PHE 14 1HE PHE 14 2.327 2.516 4.169
78 HE2 PHE 14 2HE PHE 14 -1.171 2.129 1.763
79 HZ PHE 14 HZ PHE 14 1.189 2.791 2.002
80 H HIS 15 H HIS 15 -4.458 1.286 7.022
81 HA HIS 15 HA HIS 15 -4.525 -0.157 9.573
82 HB2 HIS 15 1HB HIS 15 -6.148 1.140 10.530
83 HB3 HIS 15 2HB HIS 15 -5.356 2.379 9.560
84 HD1 HIS 15 1HD HIS 15 -8.166 -0.130 8.957
85 HD2 HIS 15 2HD HIS 15 -7.183 3.840 8.230
86 HE1 HIS 15 1HE HIS 15 -10.145 0.842 7.749
87 H LEU 16 H LEU 16 -5.608 -2.018 9.450
88 HA LEU 16 HA LEU 16 -6.659 -2.947 7.004
89 HB2 LEU 16 1HB LEU 16 -6.929 -4.013 9.808
90 HB3 LEU 16 2HB LEU 16 -7.479 -4.871 8.370
91 HG LEU 16 HG LEU 16 -4.614 -4.096 8.913
92 HD11 LEU 16 1HD1 LEU 16 -4.725 -6.816 8.981
93 HD12 LEU 16 2HD1 LEU 16 -6.230 -6.375 9.786
94 HD13 LEU 16 3HD1 LEU 16 -4.691 -5.768 10.399
95 HD21 LEU 16 1HD2 LEU 16 -4.704 -4.332 6.633
96 HD22 LEU 16 2HD2 LEU 16 -6.029 -5.495 6.693
97 HD23 LEU 16 3HD2 LEU 16 -4.393 -5.998 7.121
98 H ALA 17 H ALA 17 -8.730 -3.203 6.270
99 HA ALA 17 HA ALA 17 -10.760 -1.588 7.615
100 HB1 ALA 17 1HB ALA 17 -11.917 -2.402 5.288
101 HB2 ALA 17 2HB ALA 17 -10.982 -0.919 5.487
102 HB3 ALA 17 3HB ALA 17 -10.209 -2.368 4.847
103 HA PRO 18 HA PRO 18 -12.978 -5.062 9.158
104 HB2 PRO 18 1HB PRO 18 -15.455 -3.963 9.326
105 HB3 PRO 18 2HB PRO 18 -14.146 -3.558 10.443
106 HG2 PRO 18 1HG PRO 18 -15.118 -2.060 8.040
107 HG3 PRO 18 2HG PRO 18 -14.663 -1.438 9.637
108 HD2 PRO 18 1HD PRO 18 -13.006 -1.314 7.499
109 HD3 PRO 18 2HD PRO 18 -12.409 -1.506 9.160
110 H ALA 19 H ALA 19 -14.520 -6.639 8.566
111 HA ALA 19 HA ALA 19 -14.839 -6.992 5.757
112 HB1 ALA 19 1HB ALA 19 -15.698 -9.106 6.252
113 HB2 ALA 19 2HB ALA 19 -14.556 -8.792 7.560
114 HB3 ALA 19 3HB ALA 19 -16.287 -8.599 7.835
115 H ARG 20 H ARG 20 -16.140 -5.469 4.831
116 HA ARG 20 HA ARG 20 -18.887 -5.237 5.865
117 HB2 ARG 20 1HB ARG 20 -17.203 -3.335 4.238
118 HB3 ARG 20 2HB ARG 20 -18.936 -3.127 4.451
119 HG2 ARG 20 1HG ARG 20 -18.683 -2.853 6.812
120 HG3 ARG 20 2HG ARG 20 -16.973 -3.282 6.725
121 HD2 ARG 20 1HD ARG 20 -18.248 -0.869 5.439
122 HD3 ARG 20 2HD ARG 20 -17.312 -0.858 6.933
123 HE ARG 20 HE ARG 20 -15.923 -1.946 4.649
124 HH11 ARG 20 2HH1 ARG 20 -16.655 0.908 6.505
125 HH12 ARG 20 1HH1 ARG 20 -15.260 1.778 5.960
126 HH21 ARG 20 2HH2 ARG 20 -14.083 -0.810 3.925
127 HH22 ARG 20 1HH2 ARG 20 -13.798 0.800 4.491
128 H ALA 21 H ALA 21 -17.053 -5.291 2.811
129 HA ALA 21 HA ALA 21 -19.113 -5.529 1.013
130 HB1 ALA 21 1HB ALA 21 -17.036 -5.306 0.034
131 HB2 ALA 21 2HB ALA 21 -16.315 -6.576 1.024
132 HB3 ALA 21 3HB ALA 21 -17.408 -6.999 -0.294
133 H GLY 22 H GLY 22 -17.376 -8.252 2.542
134 HA2 GLY 22 1HA GLY 22 -19.435 -9.828 3.299
135 HA3 GLY 22 2HA GLY 22 -19.343 -10.138 1.571
136 H HIS 23 H HIS 23 -16.424 -9.796 1.518
137 HA HIS 23 HA HIS 23 -15.733 -12.505 2.188
138 HB2 HIS 23 1HB HIS 23 -14.104 -10.231 1.041
139 HB3 HIS 23 2HB HIS 23 -13.489 -11.865 1.270
140 HD1 HIS 23 1HD HIS 23 -16.480 -10.274 -0.480
141 HD2 HIS 23 2HD HIS 23 -13.714 -13.334 -0.978
142 HE1 HIS 23 1HE HIS 23 -17.001 -11.293 -2.719
143 H HIS 24 H HIS 24 -14.010 -13.151 3.571
144 HA HIS 24 HA HIS 24 -14.042 -12.355 6.133
145 HB2 HIS 24 1HB HIS 24 -12.159 -13.623 6.479
146 HB3 HIS 24 2HB HIS 24 -12.599 -14.186 4.870
147 HD1 HIS 24 1HD HIS 24 -9.782 -13.016 6.708
148 HD2 HIS 24 2HD HIS 24 -11.117 -12.561 2.800
149 HE1 HIS 24 1HE HIS 24 -7.764 -12.304 5.386
150 HA PRO 25 HA PRO 25 -12.302 -8.356 6.617
151 HB2 PRO 25 1HB PRO 25 -11.087 -8.585 9.034
152 HB3 PRO 25 2HB PRO 25 -12.843 -8.516 8.844
153 HG2 PRO 25 1HG PRO 25 -11.073 -10.897 9.238
154 HG3 PRO 25 2HG PRO 25 -12.638 -10.530 9.987
155 HD2 PRO 25 1HD PRO 25 -12.384 -12.245 7.907
156 HD3 PRO 25 2HD PRO 25 -13.827 -11.239 8.144
157 H ASN 26 H ASN 26 -10.239 -7.178 7.042
158 HA ASN 26 HA ASN 26 -7.998 -6.822 6.771
159 HB2 ASN 26 1HB ASN 26 -7.858 -9.035 8.113
160 HB3 ASN 26 2HB ASN 26 -7.523 -9.784 6.555
161 HD21 ASN 26 1HD2 ASN 26 -5.871 -9.405 8.988
162 HD22 ASN 26 2HD2 ASN 26 -4.430 -8.628 8.437
163 H GLN 27 H GLN 27 -9.889 -7.029 4.598
164 HA GLN 27 HA GLN 27 -8.811 -8.423 2.395
165 HB2 GLN 27 1HB GLN 27 -11.141 -7.578 2.517
166 HB3 GLN 27 2HB GLN 27 -10.529 -5.936 2.369
167 HG2 GLN 27 1HG GLN 27 -9.923 -6.218 0.157
168 HG3 GLN 27 2HG GLN 27 -9.870 -7.975 0.291
169 HE21 GLN 27 1HE2 GLN 27 -12.269 -5.429 0.914
170 HE22 GLN 27 2HE2 GLN 27 -13.550 -6.186 0.036
171 H TYR 28 H TYR 28 -8.948 -4.879 2.707
172 HA TYR 28 HA TYR 28 -6.258 -4.769 1.507
173 HB2 TYR 28 1HB TYR 28 -8.746 -3.258 0.890
174 HB3 TYR 28 2HB TYR 28 -7.223 -2.382 0.795
175 HD1 TYR 28 2HD TYR 28 -7.960 -5.926 -0.084
176 HD2 TYR 28 1HD TYR 28 -6.866 -2.060 -1.485
177 HE1 TYR 28 2HE TYR 28 -7.570 -6.856 -2.327
178 HE2 TYR 28 1HE TYR 28 -6.474 -2.979 -3.733
179 HH TYR 28 HH TYR 28 -6.092 -4.985 -4.861
180 H ALA 29 H ALA 29 -5.027 -2.798 2.030
181 HA ALA 29 HA ALA 29 -5.472 -2.046 4.832
182 HB1 ALA 29 1HB ALA 29 -3.259 -2.124 5.127
183 HB2 ALA 29 2HB ALA 29 -3.215 -2.969 3.579
184 HB3 ALA 29 3HB ALA 29 -2.938 -1.229 3.642
185 H THR 30 H THR 30 -6.029 -0.037 5.376
186 HA THR 30 HA THR 30 -6.225 1.972 3.264
187 HB THR 30 HB THR 30 -7.276 2.211 6.083
188 HG1 THR 30 1HG THR 30 -8.708 0.766 5.526
189 HG21 THR 30 1HG2 THR 30 -8.572 3.979 5.300
190 HG22 THR 30 2HG2 THR 30 -8.413 3.479 3.616
191 HG23 THR 30 3HG2 THR 30 -7.044 4.212 4.452
192 H CYS 31 H CYS 31 -4.499 3.227 3.001
193 HA CYS 31 HA CYS 31 -2.445 3.621 4.848
194 HB2 CYS 31 1HB CYS 31 -2.402 4.065 2.344
195 HB3 CYS 31 2HB CYS 31 -3.204 5.594 2.693
196 H ARG 32 H ARG 32 -2.174 4.933 6.542
197 HA ARG 32 HA ARG 32 -4.386 6.650 7.324
198 HB2 ARG 32 1HB ARG 32 -1.845 5.912 8.788
199 HB3 ARG 32 2HB ARG 32 -3.171 6.848 9.465
200 HG2 ARG 32 1HG ARG 32 -4.532 5.028 9.680
201 HG3 ARG 32 2HG ARG 32 -3.770 4.163 8.343
202 HD2 ARG 32 1HD ARG 32 -1.963 3.488 9.656
203 HD3 ARG 32 2HD ARG 32 -2.275 4.717 10.881
204 HE ARG 32 HE ARG 32 -3.563 2.132 10.629
205 HH11 ARG 32 2HH1 ARG 32 -3.587 5.290 12.094
206 HH12 ARG 32 1HH1 ARG 32 -4.590 4.809 13.423
207 HH21 ARG 32 2HH2 ARG 32 -4.883 1.487 12.374
208 HH22 ARG 32 1HH2 ARG 32 -5.326 2.645 13.581
209 H LEU 33 H LEU 33 -1.803 7.055 5.398
210 HA LEU 33 HA LEU 33 -1.042 9.698 6.377
211 HB2 LEU 33 1HB LEU 33 0.014 7.892 4.227
212 HB3 LEU 33 2HB LEU 33 0.506 9.581 4.338
213 HG LEU 33 HG LEU 33 0.904 7.526 6.512
214 HD11 LEU 33 1HD1 LEU 33 2.227 7.551 4.153
215 HD12 LEU 33 2HD1 LEU 33 2.927 7.016 5.681
216 HD13 LEU 33 3HD1 LEU 33 3.221 8.656 5.103
217 HD21 LEU 33 1HD2 LEU 33 0.875 10.302 6.645
218 HD22 LEU 33 2HD2 LEU 33 2.585 9.878 6.555
219 HD23 LEU 33 3HD2 LEU 33 1.572 9.192 7.826
220 H CYS 34 H CYS 34 -2.392 8.186 3.459
221 HA CYS 34 HA CYS 34 -3.482 10.821 2.713
222 HB2 CYS 34 1HB CYS 34 -3.295 10.160 0.362
223 HB3 CYS 34 2HB CYS 34 -1.722 10.114 1.151
224 H GLY 35 H GLY 35 -3.987 7.334 2.793
225 HA2 GLY 35 1HA GLY 35 -6.147 6.484 3.463
226 HA3 GLY 35 2HA GLY 35 -6.886 7.846 2.634
227 H ARG 36 H ARG 36 -4.270 6.054 1.192
228 HA ARG 36 HA ARG 36 -6.022 5.294 -0.997
229 HB2 ARG 36 1HB ARG 36 -3.065 5.399 -0.579
230 HB3 ARG 36 2HB ARG 36 -3.706 4.358 -1.843
231 HG2 ARG 36 1HG ARG 36 -4.563 7.213 -1.694
232 HG3 ARG 36 2HG ARG 36 -3.001 6.790 -2.398
233 HD2 ARG 36 1HD ARG 36 -4.394 6.776 -4.244
234 HD3 ARG 36 2HD ARG 36 -4.370 5.076 -3.778
235 HE ARG 36 HE ARG 36 -6.595 5.220 -3.236
236 HH11 ARG 36 2HH1 ARG 36 -5.292 8.422 -3.654
237 HH12 ARG 36 1HH1 ARG 36 -6.838 9.201 -3.590
238 HH21 ARG 36 2HH2 ARG 36 -8.636 6.234 -3.150
239 HH22 ARG 36 1HH2 ARG 36 -8.739 7.956 -3.303
240 H GLN 37 H GLN 37 -6.587 3.244 -1.549
241 HA GLN 37 HA GLN 37 -6.359 1.227 0.487
242 HB2 GLN 37 1HB GLN 37 -7.546 0.992 -2.282
243 HB3 GLN 37 2HB GLN 37 -7.808 -0.105 -0.933
244 HG2 GLN 37 1HG GLN 37 -8.524 2.778 -0.662
245 HG3 GLN 37 2HG GLN 37 -9.594 1.679 -1.531
246 HE21 GLN 37 1HE2 GLN 37 -11.086 0.711 -0.367
247 HE22 GLN 37 2HE2 GLN 37 -11.036 0.446 1.340
248 H VAL 38 H VAL 38 -4.670 -0.071 0.689
249 HA VAL 38 HA VAL 38 -3.328 -1.034 -1.747
250 HB VAL 38 HB VAL 38 -1.932 -0.208 0.802
251 HG11 VAL 38 1HG1 VAL 38 -0.506 -1.813 0.090
252 HG12 VAL 38 2HG1 VAL 38 -1.090 -1.750 -1.573
253 HG13 VAL 38 3HG1 VAL 38 0.039 -0.528 -0.987
254 HG21 VAL 38 1HG2 VAL 38 -0.819 1.331 -1.068
255 HG22 VAL 38 2HG2 VAL 38 -2.421 1.155 -1.783
256 HG23 VAL 38 3HG2 VAL 38 -2.248 1.826 -0.162
257 H SER 39 H SER 39 -3.254 -3.175 -1.863
258 HA SER 39 HA SER 39 -3.905 -4.742 0.515
259 HB2 SER 39 1HB SER 39 -4.165 -6.621 -1.125
260 HB3 SER 39 2HB SER 39 -5.235 -5.253 -1.432
261 HG SER 39 HG SER 39 -3.936 -4.625 -3.114
262 H ARG 40 H ARG 40 -2.746 -6.848 0.792
263 HA ARG 40 HA ARG 40 0.114 -6.561 0.142
264 HB2 ARG 40 1HB ARG 40 0.618 -7.621 2.314
265 HB3 ARG 40 2HB ARG 40 -0.229 -6.091 2.498
266 HG2 ARG 40 1HG ARG 40 -2.354 -7.583 2.610
267 HG3 ARG 40 2HG ARG 40 -1.205 -8.865 2.996
268 HD2 ARG 40 1HD ARG 40 -0.338 -7.499 4.851
269 HD3 ARG 40 2HD ARG 40 -1.532 -6.257 4.475
270 HE ARG 40 HE ARG 40 -3.138 -7.529 5.505
271 HH11 ARG 40 2HH1 ARG 40 -0.299 -9.470 4.960
272 HH12 ARG 40 1HH1 ARG 40 -0.871 -10.805 5.903
273 HH21 ARG 40 2HH2 ARG 40 -3.903 -9.281 6.749
274 HH22 ARG 40 1HH2 ARG 40 -2.922 -10.698 6.919
275 H GLY 41 H GLY 41 -2.435 -8.879 1.032
276 HA2 GLY 41 1HA GLY 41 -2.864 -10.989 0.211
277 HA3 GLY 41 2HA GLY 41 -1.657 -10.693 -1.031
278 HA PRO 42 HA PRO 42 -0.052 -13.978 1.827
279 HB2 PRO 42 1HB PRO 42 0.733 -15.656 -0.157
280 HB3 PRO 42 2HB PRO 42 -0.904 -15.656 0.509
281 HG2 PRO 42 1HG PRO 42 0.119 -14.384 -2.000
282 HG3 PRO 42 2HG PRO 42 -1.381 -15.292 -1.737
283 HD2 PRO 42 1HD PRO 42 -1.311 -12.586 -1.817
284 HD3 PRO 42 2HD PRO 42 -2.461 -13.482 -0.804
285 H GLY 43 H GLY 43 2.191 -15.101 1.585
286 HA2 GLY 43 1HA GLY 43 4.451 -14.634 1.772
287 HA3 GLY 43 2HA GLY 43 4.275 -14.332 0.050
288 H VAL 44 H VAL 44 3.795 -12.717 3.187
289 HA VAL 44 HA VAL 44 4.958 -10.289 2.000
290 HB VAL 44 HB VAL 44 2.506 -10.021 2.169
291 HG11 VAL 44 1HG1 VAL 44 2.986 -10.411 5.121
292 HG12 VAL 44 2HG1 VAL 44 1.477 -9.842 4.404
293 HG13 VAL 44 3HG1 VAL 44 2.062 -11.469 4.055
294 HG21 VAL 44 1HG2 VAL 44 4.168 -8.135 2.475
295 HG22 VAL 44 2HG2 VAL 44 2.549 -7.855 3.116
296 HG23 VAL 44 3HG2 VAL 44 3.869 -8.277 4.207
297 H ASN 45 H ASN 45 5.728 -8.734 3.679
298 HA ASN 45 HA ASN 45 6.909 -8.197 5.556
299 HB2 ASN 45 1HB ASN 45 4.941 -9.618 6.617
300 HB3 ASN 45 2HB ASN 45 6.237 -10.774 6.909
301 HD21 ASN 45 1HD2 ASN 45 4.799 -9.542 8.942
302 HD22 ASN 45 2HD2 ASN 45 5.862 -8.506 9.825
303 H VAL 46 H VAL 46 8.130 -9.486 3.385
304 HA VAL 46 HA VAL 46 10.084 -11.285 4.646
305 HB VAL 46 HB VAL 46 9.560 -10.785 1.713
306 HG11 VAL 46 1HG1 VAL 46 11.926 -11.495 2.638
307 HG12 VAL 46 2HG1 VAL 46 11.161 -13.083 2.715
308 HG13 VAL 46 3HG1 VAL 46 11.256 -12.221 1.178
309 HG21 VAL 46 1HG2 VAL 46 8.907 -13.176 3.433
310 HG22 VAL 46 2HG2 VAL 46 7.743 -11.997 2.828
311 HG23 VAL 46 3HG2 VAL 46 8.617 -13.033 1.699
312 H GLY 47 H GLY 47 9.805 -8.362 2.669
313 HA2 GLY 47 1HA GLY 47 12.439 -7.531 3.648
314 HA3 GLY 47 2HA GLY 47 12.196 -7.598 1.909
315 H THR 48 H THR 48 10.389 -6.287 1.038
316 HA THR 48 HA THR 48 10.086 -3.802 2.595
317 HB THR 48 HB THR 48 10.109 -4.094 -0.415
318 HG1 THR 48 1HG THR 48 12.202 -4.227 0.106
319 HG21 THR 48 1HG2 THR 48 8.708 -2.241 0.392
320 HG22 THR 48 2HG2 THR 48 10.148 -1.655 -0.440
321 HG23 THR 48 3HG2 THR 48 10.072 -1.623 1.321
322 H THR 49 H THR 49 8.148 -4.535 3.571
323 HA THR 49 HA THR 49 5.940 -5.688 2.578
324 HB THR 49 HB THR 49 5.546 -3.157 4.142
325 HG1 THR 49 1HG THR 49 6.004 -4.806 5.969
326 HG21 THR 49 1HG2 THR 49 4.009 -4.811 5.390
327 HG22 THR 49 2HG2 THR 49 4.242 -5.855 3.988
328 HG23 THR 49 3HG2 THR 49 3.518 -4.260 3.789
329 H ALA 50 H ALA 50 4.503 -5.356 1.008
330 HA ALA 50 HA ALA 50 4.679 -3.671 -1.063
331 HB1 ALA 50 1HB ALA 50 2.049 -3.740 -1.050
332 HB2 ALA 50 2HB ALA 50 2.997 -5.199 -1.341
333 HB3 ALA 50 3HB ALA 50 2.309 -4.898 0.254
334 H LEU 51 H LEU 51 3.394 -2.840 2.092
335 HA LEU 51 HA LEU 51 2.160 -0.415 1.492
336 HB2 LEU 51 1HB LEU 51 3.710 -1.001 4.005
337 HB3 LEU 51 2HB LEU 51 2.366 0.122 3.811
338 HG LEU 51 HG LEU 51 2.107 -2.868 3.524
339 HD11 LEU 51 1HD1 LEU 51 2.442 -2.885 5.744
340 HD12 LEU 51 2HD1 LEU 51 0.801 -2.243 5.813
341 HD13 LEU 51 3HD1 LEU 51 2.181 -1.149 5.904
342 HD21 LEU 51 1HD2 LEU 51 -0.283 -1.554 4.287
343 HD22 LEU 51 2HD2 LEU 51 0.067 -2.410 2.785
344 HD23 LEU 51 3HD2 LEU 51 0.394 -0.681 2.912
345 H TRP 52 H TRP 52 5.518 -1.026 2.504
346 HA TRP 52 HA TRP 52 6.488 1.536 2.582
347 HB2 TRP 52 1HB TRP 52 7.787 -1.033 1.693
348 HB3 TRP 52 2HB TRP 52 8.684 0.481 1.761
349 HD1 TRP 52 HD TRP 52 7.574 -2.367 3.894
350 HE1 TRP 52 1HE TRP 52 8.224 -1.938 6.348
351 HE3 TRP 52 3HE TRP 52 8.878 2.563 3.539
352 HZ2 TRP 52 2HZ TRP 52 9.165 0.206 7.924
353 HZ3 TRP 52 3HZ TRP 52 9.642 3.730 5.566
354 HH2 TRP 52 HH TRP 52 9.781 2.574 7.712
355 H LYS 53 H LYS 53 6.392 -0.576 -0.287
356 HA LYS 53 HA LYS 53 7.506 1.012 -2.185
357 HB2 LYS 53 1HB LYS 53 5.285 -0.965 -2.237
358 HB3 LYS 53 2HB LYS 53 5.503 0.037 -3.665
359 HG2 LYS 53 1HG LYS 53 6.739 -1.897 -4.092
360 HG3 LYS 53 2HG LYS 53 7.940 -0.696 -3.611
361 HD2 LYS 53 1HD LYS 53 8.267 -1.680 -1.527
362 HD3 LYS 53 2HD LYS 53 6.727 -2.540 -1.584
363 HE2 LYS 53 1HE LYS 53 9.022 -3.122 -3.445
364 HE3 LYS 53 2HE LYS 53 8.787 -3.956 -1.910
365 HZ1 LYS 53 1HZ LYS 53 7.287 -5.273 -2.839
366 HZ2 LYS 53 2HZ LYS 53 7.657 -4.596 -4.344
367 HZ3 LYS 53 3HZ LYS 53 6.390 -3.961 -3.420
368 H HIS 54 H HIS 54 4.205 1.262 -0.934
369 HA HIS 54 HA HIS 54 3.427 3.375 -2.676
370 HB2 HIS 54 1HB HIS 54 1.729 1.984 -1.671
371 HB3 HIS 54 2HB HIS 54 2.274 2.411 -0.052
372 HD1 HIS 54 1HD HIS 54 0.735 4.093 -3.091
373 HD2 HIS 54 2HD HIS 54 0.960 4.523 1.036
374 HE1 HIS 54 1HE HIS 54 -0.809 5.997 -2.528
375 H LEU 55 H LEU 55 4.479 3.281 0.718
376 HA LEU 55 HA LEU 55 4.264 5.996 1.283
377 HB2 LEU 55 1HB LEU 55 6.251 3.980 2.316
378 HB3 LEU 55 2HB LEU 55 5.993 5.577 3.014
379 HG LEU 55 HG LEU 55 3.750 3.596 2.807
380 HD11 LEU 55 1HD1 LEU 55 4.480 3.335 5.365
381 HD12 LEU 55 2HD1 LEU 55 6.069 3.563 4.637
382 HD13 LEU 55 3HD1 LEU 55 5.031 2.247 4.092
383 HD21 LEU 55 1HD2 LEU 55 2.651 4.956 4.291
384 HD22 LEU 55 2HD2 LEU 55 3.593 6.148 3.395
385 HD23 LEU 55 3HD2 LEU 55 4.143 5.598 4.979
386 H LYS 56 H LYS 56 6.992 4.184 -0.078
387 HA LYS 56 HA LYS 56 8.632 6.534 -0.331
388 HB2 LYS 56 1HB LYS 56 9.036 3.832 -1.622
389 HB3 LYS 56 2HB LYS 56 10.251 5.078 -1.367
390 HG2 LYS 56 1HG LYS 56 10.521 4.567 0.826
391 HG3 LYS 56 2HG LYS 56 8.847 4.045 1.026
392 HD2 LYS 56 1HD LYS 56 9.856 2.008 1.116
393 HD3 LYS 56 2HD LYS 56 9.663 2.131 -0.635
394 HE2 LYS 56 1HE LYS 56 11.986 3.206 -0.625
395 HE3 LYS 56 2HE LYS 56 12.126 2.591 1.021
396 HZ1 LYS 56 1HZ LYS 56 13.077 0.967 -0.351
397 HZ2 LYS 56 2HZ LYS 56 11.822 1.044 -1.483
398 HZ3 LYS 56 3HZ LYS 56 11.548 0.355 0.037
399 H SER 57 H SER 57 6.052 5.304 -2.062
400 HA SER 57 HA SER 57 6.958 6.117 -4.687
401 HB2 SER 57 1HB SER 57 5.480 4.216 -4.588
402 HB3 SER 57 2HB SER 57 4.283 5.133 -3.674
403 HG SER 57 HG SER 57 5.035 6.216 -6.108
404 H MET 58 H MET 58 4.826 7.327 -2.157
405 HA MET 58 HA MET 58 4.713 9.896 -3.587
406 HB2 MET 58 1HB MET 58 2.435 10.233 -2.909
407 HB3 MET 58 2HB MET 58 2.541 8.671 -3.710
408 HG2 MET 58 1HG MET 58 2.267 7.493 -1.733
409 HG3 MET 58 2HG MET 58 2.736 8.869 -0.736
410 HE1 MET 58 1HE MET 58 -1.084 9.373 -3.187
411 HE2 MET 58 2HE MET 58 0.583 9.352 -3.762
412 HE3 MET 58 3HE MET 58 -0.233 7.838 -3.368
413 H HIS 59 H HIS 59 4.747 8.182 -0.524
414 HA HIS 59 HA HIS 59 5.046 10.676 0.961
415 HB2 HIS 59 1HB HIS 59 4.924 7.818 1.946
416 HB3 HIS 59 2HB HIS 59 4.935 9.255 2.965
417 HD1 HIS 59 1HD HIS 59 2.793 10.907 2.544
418 HD2 HIS 59 2HD HIS 59 2.441 6.970 1.263
419 HE1 HIS 59 1HE HIS 59 0.326 10.510 2.259
420 H ARG 60 H ARG 60 7.106 9.606 -0.916
421 HA ARG 60 HA ARG 60 9.285 8.487 0.385
422 HB2 ARG 60 1HB ARG 60 9.306 8.666 -1.997
423 HB3 ARG 60 2HB ARG 60 9.153 10.417 -1.929
424 HG2 ARG 60 1HG ARG 60 11.367 10.703 -1.244
425 HG3 ARG 60 2HG ARG 60 11.531 9.011 -0.771
426 HD2 ARG 60 1HD ARG 60 10.905 9.627 -3.612
427 HD3 ARG 60 2HD ARG 60 12.543 9.932 -3.035
428 HE ARG 60 HE ARG 60 11.284 7.364 -3.436
429 HH11 ARG 60 2HH1 ARG 60 13.865 9.121 -1.895
430 HH12 ARG 60 1HH1 ARG 60 14.877 7.727 -1.707
431 HH21 ARG 60 2HH2 ARG 60 12.607 5.522 -3.195
432 HH22 ARG 60 1HH2 ARG 60 14.161 5.680 -2.448
433 H GLU 61 H GLU 61 8.187 11.821 0.288
434 HA GLU 61 HA GLU 61 10.530 12.910 1.512
435 HB2 GLU 61 1HB GLU 61 7.761 13.975 1.004
436 HB3 GLU 61 2HB GLU 61 8.954 14.901 1.905
437 HG2 GLU 61 1HG GLU 61 10.472 14.762 -0.038
438 HG3 GLU 61 2HG GLU 61 9.195 13.943 -0.936
439 H GLU 62 H GLU 62 7.368 11.848 2.662
440 HA GLU 62 HA GLU 62 7.580 12.774 5.302
441 HB2 GLU 62 1HB GLU 62 5.444 12.075 4.517
442 HB3 GLU 62 2HB GLU 62 6.047 10.481 4.086
443 HG2 GLU 62 1HG GLU 62 4.944 10.005 6.023
444 HG3 GLU 62 2HG GLU 62 6.564 10.316 6.644
445 H LEU 63 H LEU 63 8.491 9.672 3.845
446 HA LEU 63 HA LEU 63 9.324 8.412 6.217
447 HB2 LEU 63 1HB LEU 63 10.338 7.966 3.413
448 HB3 LEU 63 2HB LEU 63 10.507 6.854 4.770
449 HG LEU 63 HG LEU 63 7.899 7.649 3.476
450 HD11 LEU 63 1HD1 LEU 63 8.820 6.274 1.892
451 HD12 LEU 63 2HD1 LEU 63 8.040 5.086 2.937
452 HD13 LEU 63 3HD1 LEU 63 9.776 5.372 3.069
453 HD21 LEU 63 1HD2 LEU 63 7.173 5.567 4.828
454 HD22 LEU 63 2HD2 LEU 63 7.340 7.113 5.661
455 HD23 LEU 63 3HD2 LEU 63 8.610 5.897 5.796
456 H GLU 64 H GLU 64 11.315 9.912 3.659
457 HA GLU 64 HA GLU 64 13.772 9.719 4.909
458 HB2 GLU 64 1HB GLU 64 12.729 11.869 3.062
459 HB3 GLU 64 2HB GLU 64 14.417 11.714 3.528
460 HG2 GLU 64 1HG GLU 64 14.406 9.423 2.560
461 HG3 GLU 64 2HG GLU 64 12.775 9.735 1.968
462 H LYS 65 H LYS 65 11.329 12.263 5.208
463 HA LYS 65 HA LYS 65 12.720 14.101 6.732
464 HB2 LYS 65 1HB LYS 65 9.809 13.324 6.730
465 HB3 LYS 65 2HB LYS 65 10.422 14.637 7.726
466 HG2 LYS 65 1HG LYS 65 11.071 14.659 4.829
467 HG3 LYS 65 2HG LYS 65 9.426 15.063 5.325
468 HD2 LYS 65 1HD LYS 65 11.814 16.360 6.601
469 HD3 LYS 65 2HD LYS 65 11.122 16.978 5.099
470 HE2 LYS 65 1HE LYS 65 8.880 16.837 6.477
471 HE3 LYS 65 2HE LYS 65 9.981 16.937 7.850
472 HZ1 LYS 65 1HZ LYS 65 9.939 19.121 7.543
473 HZ2 LYS 65 2HZ LYS 65 9.147 18.986 6.054
474 HZ3 LYS 65 3HZ LYS 65 10.834 18.885 6.127
475 H SER 66 H SER 66 10.701 11.416 7.925
476 HA SER 66 HA SER 66 11.480 11.832 10.648
477 HB2 SER 66 1HB SER 66 9.935 9.677 9.221
478 HB3 SER 66 2HB SER 66 10.361 9.523 10.925
479 HG SER 66 HG SER 66 8.462 11.089 9.727
480 H GLY 67 H GLY 67 12.588 10.221 11.972
481 HA2 GLY 67 1HA GLY 67 15.137 9.688 11.388
482 HA3 GLY 67 2HA GLY 67 14.187 8.572 12.357
483 H HIS 68 H HIS 68 12.455 7.591 10.398
484 HA HIS 68 HA HIS 68 13.925 5.502 9.310
485 HB2 HIS 68 1HB HIS 68 11.381 6.490 8.044
486 HB3 HIS 68 2HB HIS 68 11.953 4.833 8.213
487 HD1 HIS 68 1HD HIS 68 11.405 3.612 10.381
488 HD2 HIS 68 2HD HIS 68 10.196 7.587 10.375
489 HE1 HIS 68 1HE HIS 68 9.935 3.871 12.405
490 H GLY 69 H GLY 69 15.661 5.940 8.055
491 HA2 GLY 69 1HA GLY 69 15.171 7.545 5.621
492 HA3 GLY 69 2HA GLY 69 16.707 7.539 6.474
493 H GLN 70 H GLN 70 15.504 6.603 3.713
494 HA GLN 70 HA GLN 70 15.704 4.780 2.304
495 HB2 GLN 70 1HB GLN 70 18.051 4.303 1.840
496 HB3 GLN 70 2HB GLN 70 17.809 6.027 2.089
497 HG2 GLN 70 1HG GLN 70 18.700 5.866 4.328
498 HG3 GLN 70 2HG GLN 70 18.861 4.118 4.163
499 HE21 GLN 70 1HE2 GLN 70 20.933 5.981 4.783
500 HE22 GLN 70 2HE2 GLN 70 22.106 5.885 3.518
501 H SER 71 H SER 71 14.656 3.877 4.709
502 HA SER 71 HA SER 71 15.930 1.897 6.100
503 HB2 SER 71 1HB SER 71 13.057 2.041 5.176
504 HB3 SER 71 2HB SER 71 13.644 0.812 6.297
505 HG SER 71 HG SER 71 14.320 2.551 7.668
506 H GLY 72 H GLY 72 17.337 0.600 4.996
507 HA2 GLY 72 1HA GLY 72 16.658 -1.819 4.021
508 HA3 GLY 72 2HA GLY 72 16.501 -0.796 2.600
509 HA PRO 73 HA PRO 73 20.819 -2.257 2.473
510 HB2 PRO 73 1HB PRO 73 20.986 -2.167 -0.235
511 HB3 PRO 73 2HB PRO 73 20.290 -3.536 0.640
512 HG2 PRO 73 1HG PRO 73 18.906 -1.255 -0.716
513 HG3 PRO 73 2HG PRO 73 18.498 -2.981 -0.734
514 HD2 PRO 73 1HD PRO 73 17.211 -1.196 0.844
515 HD3 PRO 73 2HD PRO 73 17.465 -2.886 1.324
516 H SER 74 H SER 74 22.550 -0.962 2.575
517 HA SER 74 HA SER 74 22.255 1.835 1.868
518 HB2 SER 74 1HB SER 74 24.270 2.204 3.111
519 HB3 SER 74 2HB SER 74 23.305 1.048 4.030
520 HG SER 74 HG SER 74 25.364 0.302 2.228
521 H SER 75 H SER 75 23.452 2.941 0.356
522 HA SER 75 HA SER 75 24.482 1.356 -1.825
523 HB2 SER 75 1HB SER 75 23.189 3.234 -2.487
524 HB3 SER 75 2HB SER 75 24.079 4.319 -1.418
525 HG SER 75 HG SER 75 25.082 3.026 -3.738
526 H GLY 76 H GLY 76 26.521 0.722 -1.999
527 HA2 GLY 76 1HA GLY 76 28.572 1.134 -0.267
528 HA3 GLY 76 2HA GLY 76 28.829 0.817 -1.976
Start of MODEL 6
1 H1 GLY 1 H GLY 1 2.884 -19.192 6.777
2 HA2 GLY 1 1HA GLY 1 3.126 -16.847 7.736
3 HA3 GLY 1 2HA GLY 1 1.560 -17.598 8.003
4 H SER 2 H SER 2 4.754 -17.137 9.466
5 HA SER 2 HA SER 2 3.437 -17.029 12.089
6 HB2 SER 2 1HB SER 2 5.217 -18.321 13.115
7 HB3 SER 2 2HB SER 2 4.517 -19.256 11.794
8 HG SER 2 HG SER 2 6.309 -18.313 10.506
9 H SER 3 H SER 3 4.599 -15.815 13.697
10 HA SER 3 HA SER 3 5.448 -13.341 12.959
11 HB2 SER 3 1HB SER 3 4.962 -14.144 15.305
12 HB3 SER 3 2HB SER 3 6.598 -14.801 15.344
13 HG SER 3 HG SER 3 6.240 -12.586 16.200
14 H GLY 4 H GLY 4 7.679 -12.361 13.309
15 HA2 GLY 4 1HA GLY 4 10.114 -13.024 13.281
16 HA3 GLY 4 2HA GLY 4 9.663 -14.072 11.943
17 H SER 5 H SER 5 7.902 -12.294 10.621
18 HA SER 5 HA SER 5 9.386 -11.075 8.765
19 HB2 SER 5 1HB SER 5 6.984 -11.061 8.583
20 HB3 SER 5 2HB SER 5 6.834 -10.002 9.985
21 HG SER 5 HG SER 5 8.391 -9.094 7.863
22 H SER 6 H SER 6 10.625 -9.296 8.483
23 HA SER 6 HA SER 6 11.336 -7.801 10.886
24 HB2 SER 6 1HB SER 6 13.247 -6.985 9.528
25 HB3 SER 6 2HB SER 6 13.177 -8.746 9.599
26 HG SER 6 HG SER 6 12.606 -7.022 7.457
27 H GLY 7 H GLY 7 11.766 -5.434 10.644
28 HA2 GLY 7 1HA GLY 7 11.072 -3.304 10.132
29 HA3 GLY 7 2HA GLY 7 10.547 -3.929 8.576
30 H SER 8 H SER 8 8.419 -4.780 8.375
31 HA SER 8 HA SER 8 6.166 -4.344 8.588
32 HB2 SER 8 1HB SER 8 5.222 -5.433 10.599
33 HB3 SER 8 2HB SER 8 6.466 -6.424 9.837
34 HG SER 8 HG SER 8 7.572 -6.312 11.611
35 H GLU 9 H GLU 9 7.690 -2.018 9.123
36 HA GLU 9 HA GLU 9 6.344 -0.786 11.415
37 HB2 GLU 9 1HB GLU 9 8.908 -0.622 10.832
38 HB3 GLU 9 2HB GLU 9 8.367 0.649 9.745
39 HG2 GLU 9 1HG GLU 9 8.882 1.835 11.639
40 HG3 GLU 9 2HG GLU 9 7.150 1.571 11.841
41 H ALA 10 H ALA 10 6.553 -0.660 7.931
42 HA ALA 10 HA ALA 10 5.390 1.783 7.373
43 HB1 ALA 10 1HB ALA 10 6.331 0.265 5.680
44 HB2 ALA 10 2HB ALA 10 4.931 -0.791 5.871
45 HB3 ALA 10 3HB ALA 10 4.723 0.844 5.244
46 H TRP 11 H TRP 11 3.948 -1.069 8.700
47 HA TRP 11 HA TRP 11 1.282 -0.774 8.031
48 HB2 TRP 11 1HB TRP 11 2.725 -1.941 10.365
49 HB3 TRP 11 2HB TRP 11 0.984 -1.713 10.504
50 HD1 TRP 11 HD TRP 11 3.307 -4.300 9.605
51 HE1 TRP 11 1HE TRP 11 2.241 -6.072 8.072
52 HE3 TRP 11 3HE TRP 11 -0.860 -1.717 8.155
53 HZ2 TRP 11 2HZ TRP 11 -0.062 -6.339 6.461
54 HZ3 TRP 11 3HZ TRP 11 -2.443 -2.802 6.616
55 HH2 TRP 11 HH TRP 11 -2.051 -5.065 5.787
56 H GLU 12 H GLU 12 3.203 1.019 10.339
57 HA GLU 12 HA GLU 12 1.192 2.213 11.849
58 HB2 GLU 12 1HB GLU 12 3.847 3.381 10.995
59 HB3 GLU 12 2HB GLU 12 2.830 4.015 12.281
60 HG2 GLU 12 1HG GLU 12 4.255 1.371 12.210
61 HG3 GLU 12 2HG GLU 12 4.573 2.740 13.274
62 H TYR 13 H TYR 13 2.011 2.652 8.561
63 HA TYR 13 HA TYR 13 0.531 5.186 8.428
64 HB2 TYR 13 1HB TYR 13 2.230 3.889 6.290
65 HB3 TYR 13 2HB TYR 13 1.531 5.503 6.239
66 HD1 TYR 13 2HD TYR 13 4.150 3.406 7.732
67 HD2 TYR 13 1HD TYR 13 2.529 7.330 7.458
68 HE1 TYR 13 2HE TYR 13 6.186 4.313 8.770
69 HE2 TYR 13 1HE TYR 13 4.562 8.248 8.495
70 HH TYR 13 HH TYR 13 7.069 7.441 8.659
71 H PHE 14 H PHE 14 -0.452 2.277 8.595
72 HA PHE 14 HA PHE 14 -2.561 2.618 6.627
73 HB2 PHE 14 1HB PHE 14 -0.802 0.158 6.689
74 HB3 PHE 14 2HB PHE 14 -2.317 0.279 5.801
75 HD1 PHE 14 1HD PHE 14 1.167 1.397 5.974
76 HD2 PHE 14 2HD PHE 14 -2.467 1.535 3.762
77 HE1 PHE 14 1HE PHE 14 2.379 2.331 4.046
78 HE2 PHE 14 2HE PHE 14 -1.261 2.468 1.832
79 HZ PHE 14 HZ PHE 14 1.165 2.867 1.972
80 H HIS 15 H HIS 15 -4.403 1.238 7.019
81 HA HIS 15 HA HIS 15 -4.429 -0.168 9.582
82 HB2 HIS 15 1HB HIS 15 -6.047 1.112 10.581
83 HB3 HIS 15 2HB HIS 15 -5.249 2.362 9.631
84 HD1 HIS 15 1HD HIS 15 -8.085 -0.107 8.985
85 HD2 HIS 15 2HD HIS 15 -7.077 3.874 8.360
86 HE1 HIS 15 1HE HIS 15 -10.065 0.912 7.816
87 H LEU 16 H LEU 16 -5.558 -2.010 9.496
88 HA LEU 16 HA LEU 16 -6.676 -2.900 7.048
89 HB2 LEU 16 1HB LEU 16 -6.734 -4.028 9.836
90 HB3 LEU 16 2HB LEU 16 -7.456 -4.847 8.454
91 HG LEU 16 HG LEU 16 -4.534 -4.132 8.655
92 HD11 LEU 16 1HD1 LEU 16 -5.730 -5.950 10.244
93 HD12 LEU 16 2HD1 LEU 16 -4.075 -6.095 9.653
94 HD13 LEU 16 3HD1 LEU 16 -5.383 -6.944 8.829
95 HD21 LEU 16 1HD2 LEU 16 -6.084 -5.899 6.765
96 HD22 LEU 16 2HD2 LEU 16 -4.326 -5.759 6.813
97 HD23 LEU 16 3HD2 LEU 16 -5.311 -4.362 6.377
98 H ALA 17 H ALA 17 -8.800 -3.266 6.456
99 HA ALA 17 HA ALA 17 -10.760 -1.603 7.834
100 HB1 ALA 17 1HB ALA 17 -12.140 -1.925 5.843
101 HB2 ALA 17 2HB ALA 17 -10.528 -1.346 5.420
102 HB3 ALA 17 3HB ALA 17 -10.943 -3.045 5.191
103 HA PRO 18 HA PRO 18 -12.939 -4.902 9.747
104 HB2 PRO 18 1HB PRO 18 -15.478 -3.944 9.677
105 HB3 PRO 18 2HB PRO 18 -14.236 -3.294 10.753
106 HG2 PRO 18 1HG PRO 18 -15.203 -2.242 8.123
107 HG3 PRO 18 2HG PRO 18 -14.841 -1.358 9.617
108 HD2 PRO 18 1HD PRO 18 -13.118 -1.459 7.531
109 HD3 PRO 18 2HD PRO 18 -12.571 -1.359 9.217
110 H ALA 19 H ALA 19 -13.723 -6.819 9.111
111 HA ALA 19 HA ALA 19 -14.928 -6.995 6.432
112 HB1 ALA 19 1HB ALA 19 -12.949 -8.590 7.829
113 HB2 ALA 19 2HB ALA 19 -14.268 -9.571 7.189
114 HB3 ALA 19 3HB ALA 19 -13.343 -8.527 6.111
115 H ARG 20 H ARG 20 -16.818 -8.143 6.102
116 HA ARG 20 HA ARG 20 -18.435 -8.557 8.504
117 HB2 ARG 20 1HB ARG 20 -19.095 -8.181 5.594
118 HB3 ARG 20 2HB ARG 20 -20.291 -8.798 6.726
119 HG2 ARG 20 1HG ARG 20 -20.017 -6.763 8.086
120 HG3 ARG 20 2HG ARG 20 -18.880 -6.143 6.886
121 HD2 ARG 20 1HD ARG 20 -21.123 -5.219 6.564
122 HD3 ARG 20 2HD ARG 20 -20.621 -6.198 5.186
123 HE ARG 20 HE ARG 20 -21.998 -7.957 6.690
124 HH11 ARG 20 2HH1 ARG 20 -22.728 -4.755 5.537
125 HH12 ARG 20 1HH1 ARG 20 -24.435 -5.035 5.445
126 HH21 ARG 20 2HH2 ARG 20 -24.244 -8.339 6.574
127 HH22 ARG 20 1HH2 ARG 20 -25.297 -7.074 6.036
128 H ALA 21 H ALA 21 -17.739 -10.221 5.428
129 HA ALA 21 HA ALA 21 -18.821 -12.706 6.431
130 HB1 ALA 21 1HB ALA 21 -18.844 -13.399 4.287
131 HB2 ALA 21 2HB ALA 21 -18.654 -11.679 3.945
132 HB3 ALA 21 3HB ALA 21 -17.244 -12.739 3.943
133 H GLY 22 H GLY 22 -17.419 -14.740 5.988
134 HA2 GLY 22 1HA GLY 22 -15.465 -15.016 7.837
135 HA3 GLY 22 2HA GLY 22 -15.484 -15.954 6.351
136 H HIS 23 H HIS 23 -15.005 -13.786 4.561
137 HA HIS 23 HA HIS 23 -12.355 -13.802 4.159
138 HB2 HIS 23 1HB HIS 23 -14.264 -11.500 3.764
139 HB3 HIS 23 2HB HIS 23 -12.600 -11.457 3.190
140 HD1 HIS 23 1HD HIS 23 -13.483 -11.311 0.740
141 HD2 HIS 23 2HD HIS 23 -14.504 -14.804 2.744
142 HE1 HIS 23 1HE HIS 23 -14.287 -12.896 -1.039
143 H HIS 24 H HIS 24 -10.766 -13.574 5.590
144 HA HIS 24 HA HIS 24 -10.812 -12.243 7.997
145 HB2 HIS 24 1HB HIS 24 -8.293 -12.172 7.785
146 HB3 HIS 24 2HB HIS 24 -9.025 -13.757 7.556
147 HD1 HIS 24 1HD HIS 24 -6.373 -13.678 6.404
148 HD2 HIS 24 2HD HIS 24 -9.628 -12.188 4.295
149 HE1 HIS 24 1HE HIS 24 -5.673 -13.691 3.988
150 HA PRO 25 HA PRO 25 -10.594 -7.931 7.216
151 HB2 PRO 25 1HB PRO 25 -9.066 -7.087 9.296
152 HB3 PRO 25 2HB PRO 25 -10.738 -7.630 9.489
153 HG2 PRO 25 1HG PRO 25 -8.191 -9.126 9.980
154 HG3 PRO 25 2HG PRO 25 -9.668 -9.079 10.960
155 HD2 PRO 25 1HD PRO 25 -9.093 -11.131 9.290
156 HD3 PRO 25 2HD PRO 25 -10.757 -10.606 9.621
157 H ASN 26 H ASN 26 -8.027 -9.922 6.701
158 HA ASN 26 HA ASN 26 -6.048 -7.831 6.254
159 HB2 ASN 26 1HB ASN 26 -5.667 -10.281 7.182
160 HB3 ASN 26 2HB ASN 26 -5.587 -10.677 5.468
161 HD21 ASN 26 1HD2 ASN 26 -4.376 -8.130 7.627
162 HD22 ASN 26 2HD2 ASN 26 -2.760 -8.147 7.016
163 H GLN 27 H GLN 27 -8.329 -7.583 4.663
164 HA GLN 27 HA GLN 27 -7.744 -8.687 2.053
165 HB2 GLN 27 1HB GLN 27 -10.079 -8.224 3.094
166 HB3 GLN 27 2HB GLN 27 -9.799 -6.565 2.584
167 HG2 GLN 27 1HG GLN 27 -11.122 -8.002 1.003
168 HG3 GLN 27 2HG GLN 27 -9.734 -7.165 0.310
169 HE21 GLN 27 1HE2 GLN 27 -11.122 -10.212 1.138
170 HE22 GLN 27 2HE2 GLN 27 -9.931 -11.205 0.377
171 H TYR 28 H TYR 28 -8.424 -5.334 3.049
172 HA TYR 28 HA TYR 28 -6.187 -4.469 1.340
173 HB2 TYR 28 1HB TYR 28 -8.986 -3.377 1.506
174 HB3 TYR 28 2HB TYR 28 -7.650 -2.379 0.943
175 HD1 TYR 28 1HD TYR 28 -6.192 -3.458 -0.971
176 HD2 TYR 28 2HD TYR 28 -10.182 -4.608 -0.043
177 HE1 TYR 28 1HE TYR 28 -6.442 -4.392 -3.233
178 HE2 TYR 28 2HE TYR 28 -10.443 -5.546 -2.302
179 HH TYR 28 HH TYR 28 -9.375 -5.166 -4.587
180 H ALA 29 H ALA 29 -5.018 -2.672 2.027
181 HA ALA 29 HA ALA 29 -5.396 -1.995 4.861
182 HB1 ALA 29 1HB ALA 29 -2.931 -1.675 3.153
183 HB2 ALA 29 2HB ALA 29 -3.051 -1.381 4.889
184 HB3 ALA 29 3HB ALA 29 -3.243 -3.016 4.257
185 H THR 30 H THR 30 -6.046 -0.023 5.411
186 HA THR 30 HA THR 30 -6.303 2.013 3.345
187 HB THR 30 HB THR 30 -7.250 2.116 6.215
188 HG1 THR 30 1HG THR 30 -8.977 1.681 4.043
189 HG21 THR 30 1HG2 THR 30 -8.518 3.990 5.617
190 HG22 THR 30 2HG2 THR 30 -8.338 3.676 3.891
191 HG23 THR 30 3HG2 THR 30 -6.966 4.267 4.827
192 H CYS 31 H CYS 31 -4.609 3.294 3.010
193 HA CYS 31 HA CYS 31 -2.490 3.704 4.797
194 HB2 CYS 31 1HB CYS 31 -2.526 4.087 2.273
195 HB3 CYS 31 2HB CYS 31 -3.282 5.638 2.622
196 H ARG 32 H ARG 32 -2.250 4.986 6.507
197 HA ARG 32 HA ARG 32 -4.421 6.756 7.259
198 HB2 ARG 32 1HB ARG 32 -1.868 6.047 8.719
199 HB3 ARG 32 2HB ARG 32 -3.203 6.976 9.388
200 HG2 ARG 32 1HG ARG 32 -4.602 5.126 9.500
201 HG3 ARG 32 2HG ARG 32 -3.645 4.213 8.331
202 HD2 ARG 32 1HD ARG 32 -3.142 3.231 10.394
203 HD3 ARG 32 2HD ARG 32 -1.774 4.294 10.067
204 HE ARG 32 HE ARG 32 -3.427 5.848 11.539
205 HH11 ARG 32 2HH1 ARG 32 -2.104 2.660 11.992
206 HH12 ARG 32 1HH1 ARG 32 -2.080 2.774 13.721
207 HH21 ARG 32 2HH2 ARG 32 -3.401 6.010 13.814
208 HH22 ARG 32 1HH2 ARG 32 -2.819 4.679 14.756
209 H LEU 33 H LEU 33 -1.844 7.103 5.308
210 HA LEU 33 HA LEU 33 -1.048 9.754 6.231
211 HB2 LEU 33 1HB LEU 33 -0.054 7.921 4.071
212 HB3 LEU 33 2HB LEU 33 0.472 9.600 4.183
213 HG LEU 33 HG LEU 33 0.861 7.524 6.338
214 HD11 LEU 33 1HD1 LEU 33 2.701 8.553 4.193
215 HD12 LEU 33 2HD1 LEU 33 2.229 6.885 4.515
216 HD13 LEU 33 3HD1 LEU 33 3.273 7.740 5.650
217 HD21 LEU 33 1HD2 LEU 33 2.564 9.870 6.366
218 HD22 LEU 33 2HD2 LEU 33 1.597 9.159 7.659
219 HD23 LEU 33 3HD2 LEU 33 0.856 10.285 6.521
220 H CYS 34 H CYS 34 -2.410 8.230 3.319
221 HA CYS 34 HA CYS 34 -3.448 10.874 2.532
222 HB2 CYS 34 1HB CYS 34 -3.434 10.041 0.206
223 HB3 CYS 34 2HB CYS 34 -1.824 10.041 0.919
224 H GLY 35 H GLY 35 -4.145 7.423 2.770
225 HA2 GLY 35 1HA GLY 35 -6.310 6.716 3.569
226 HA3 GLY 35 2HA GLY 35 -7.014 8.099 2.744
227 H ARG 36 H ARG 36 -4.599 6.014 1.295
228 HA ARG 36 HA ARG 36 -6.598 5.206 -0.697
229 HB2 ARG 36 1HB ARG 36 -3.644 5.630 -0.772
230 HB3 ARG 36 2HB ARG 36 -4.353 4.470 -1.888
231 HG2 ARG 36 1HG ARG 36 -5.988 6.431 -2.433
232 HG3 ARG 36 2HG ARG 36 -4.697 7.424 -1.754
233 HD2 ARG 36 1HD ARG 36 -3.123 6.253 -3.335
234 HD3 ARG 36 2HD ARG 36 -4.545 5.550 -4.105
235 HE ARG 36 HE ARG 36 -4.947 8.291 -4.021
236 HH11 ARG 36 2HH1 ARG 36 -2.706 6.051 -5.464
237 HH12 ARG 36 1HH1 ARG 36 -2.378 7.060 -6.834
238 HH21 ARG 36 2HH2 ARG 36 -4.523 9.628 -5.820
239 HH22 ARG 36 1HH2 ARG 36 -3.412 9.095 -7.035
240 H GLN 37 H GLN 37 -7.010 3.089 -1.152
241 HA GLN 37 HA GLN 37 -6.295 1.164 0.856
242 HB2 GLN 37 1HB GLN 37 -7.827 0.784 -1.722
243 HB3 GLN 37 2HB GLN 37 -7.738 -0.367 -0.396
244 HG2 GLN 37 1HG GLN 37 -9.835 0.809 -0.325
245 HG3 GLN 37 2HG GLN 37 -8.852 1.254 1.068
246 HE21 GLN 37 1HE2 GLN 37 -9.190 3.296 1.549
247 HE22 GLN 37 2HE2 GLN 37 -9.297 4.605 0.426
248 H VAL 38 H VAL 38 -4.688 -0.266 0.809
249 HA VAL 38 HA VAL 38 -3.450 -0.939 -1.769
250 HB VAL 38 HB VAL 38 -1.910 -0.209 0.726
251 HG11 VAL 38 1HG1 VAL 38 -0.996 -2.062 -0.760
252 HG12 VAL 38 2HG1 VAL 38 -0.773 -0.814 -1.989
253 HG13 VAL 38 3HG1 VAL 38 0.070 -0.693 -0.444
254 HG21 VAL 38 1HG2 VAL 38 -2.273 1.873 -0.043
255 HG22 VAL 38 2HG2 VAL 38 -1.031 1.459 -1.224
256 HG23 VAL 38 3HG2 VAL 38 -2.736 1.311 -1.649
257 H SER 39 H SER 39 -3.515 -3.062 -2.030
258 HA SER 39 HA SER 39 -3.890 -4.819 0.242
259 HB2 SER 39 1HB SER 39 -4.054 -6.597 -1.533
260 HB3 SER 39 2HB SER 39 -5.226 -5.290 -1.701
261 HG SER 39 HG SER 39 -4.048 -5.961 -3.660
262 H ARG 40 H ARG 40 -2.613 -6.877 0.346
263 HA ARG 40 HA ARG 40 0.206 -6.217 0.333
264 HB2 ARG 40 1HB ARG 40 -1.061 -8.822 1.179
265 HB3 ARG 40 2HB ARG 40 0.517 -8.197 1.637
266 HG2 ARG 40 1HG ARG 40 -2.044 -6.812 2.371
267 HG3 ARG 40 2HG ARG 40 -1.303 -8.057 3.379
268 HD2 ARG 40 1HD ARG 40 -0.632 -5.873 4.161
269 HD3 ARG 40 2HD ARG 40 0.760 -6.711 3.475
270 HE ARG 40 HE ARG 40 0.909 -5.069 1.895
271 HH11 ARG 40 2HH1 ARG 40 -2.267 -4.972 3.318
272 HH12 ARG 40 1HH1 ARG 40 -2.732 -3.519 2.498
273 HH21 ARG 40 2HH2 ARG 40 0.308 -3.155 0.810
274 HH22 ARG 40 1HH2 ARG 40 -1.267 -2.487 1.071
275 H GLY 41 H GLY 41 -1.901 -8.687 -1.120
276 HA2 GLY 41 1HA GLY 41 -1.679 -9.779 -3.145
277 HA3 GLY 41 2HA GLY 41 -0.248 -8.810 -3.466
278 HA PRO 42 HA PRO 42 0.872 -13.284 -2.489
279 HB2 PRO 42 1HB PRO 42 1.939 -13.879 -4.913
280 HB3 PRO 42 2HB PRO 42 0.230 -14.118 -4.531
281 HG2 PRO 42 1HG PRO 42 1.545 -11.871 -6.009
282 HG3 PRO 42 2HG PRO 42 0.041 -12.730 -6.387
283 HD2 PRO 42 1HD PRO 42 0.069 -10.304 -5.185
284 HD3 PRO 42 2HD PRO 42 -1.185 -11.517 -4.858
285 H GLY 43 H GLY 43 2.548 -12.768 -1.143
286 HA2 GLY 43 1HA GLY 43 4.890 -12.875 -0.806
287 HA3 GLY 43 2HA GLY 43 5.128 -12.276 -2.440
288 H VAL 44 H VAL 44 3.905 -11.287 0.745
289 HA VAL 44 HA VAL 44 4.849 -8.557 0.151
290 HB VAL 44 HB VAL 44 2.480 -8.479 0.433
291 HG11 VAL 44 1HG1 VAL 44 1.515 -10.164 1.530
292 HG12 VAL 44 2HG1 VAL 44 2.991 -10.526 2.428
293 HG13 VAL 44 3HG1 VAL 44 1.886 -9.279 3.010
294 HG21 VAL 44 1HG2 VAL 44 4.142 -6.923 1.815
295 HG22 VAL 44 2HG2 VAL 44 2.389 -6.757 1.916
296 HG23 VAL 44 3HG2 VAL 44 3.264 -7.642 3.166
297 H ASN 45 H ASN 45 5.465 -11.294 1.939
298 HA ASN 45 HA ASN 45 6.615 -9.817 4.197
299 HB2 ASN 45 1HB ASN 45 7.027 -12.323 4.951
300 HB3 ASN 45 2HB ASN 45 5.454 -11.558 5.154
301 HD21 ASN 45 1HD2 ASN 45 4.569 -13.682 5.175
302 HD22 ASN 45 2HD2 ASN 45 4.294 -14.529 3.694
303 H VAL 46 H VAL 46 7.446 -11.840 1.469
304 HA VAL 46 HA VAL 46 9.938 -12.734 1.880
305 HB VAL 46 HB VAL 46 8.833 -12.897 -0.294
306 HG11 VAL 46 1HG1 VAL 46 9.514 -9.970 -0.531
307 HG12 VAL 46 2HG1 VAL 46 8.991 -10.981 -1.879
308 HG13 VAL 46 3HG1 VAL 46 7.907 -10.696 -0.516
309 HG21 VAL 46 1HG2 VAL 46 11.617 -11.796 -0.179
310 HG22 VAL 46 2HG2 VAL 46 11.088 -13.458 -0.437
311 HG23 VAL 46 3HG2 VAL 46 10.891 -12.261 -1.717
312 H GLY 47 H GLY 47 9.036 -9.359 1.587
313 HA2 GLY 47 1HA GLY 47 11.314 -8.440 2.962
314 HA3 GLY 47 2HA GLY 47 11.579 -8.234 1.237
315 H THR 48 H THR 48 11.424 -6.088 0.955
316 HA THR 48 HA THR 48 10.160 -4.144 2.257
317 HB THR 48 HB THR 48 9.956 -4.332 -0.752
318 HG1 THR 48 1HG THR 48 12.101 -4.693 -0.169
319 HG21 THR 48 1HG2 THR 48 10.426 -1.849 0.861
320 HG22 THR 48 2HG2 THR 48 8.791 -2.464 0.617
321 HG23 THR 48 3HG2 THR 48 9.780 -2.011 -0.771
322 H THR 49 H THR 49 8.234 -4.302 3.238
323 HA THR 49 HA THR 49 6.011 -5.731 2.330
324 HB THR 49 HB THR 49 5.733 -3.281 4.052
325 HG1 THR 49 1HG THR 49 6.460 -5.803 5.106
326 HG21 THR 49 1HG2 THR 49 4.237 -5.797 3.575
327 HG22 THR 49 2HG2 THR 49 3.641 -4.172 3.920
328 HG23 THR 49 3HG2 THR 49 4.263 -5.181 5.227
329 H ALA 50 H ALA 50 4.544 -5.345 0.808
330 HA ALA 50 HA ALA 50 4.598 -3.552 -1.166
331 HB1 ALA 50 1HB ALA 50 1.867 -3.950 -0.112
332 HB2 ALA 50 2HB ALA 50 2.515 -4.230 -1.729
333 HB3 ALA 50 3HB ALA 50 2.803 -5.408 -0.448
334 H LEU 51 H LEU 51 3.461 -2.889 2.083
335 HA LEU 51 HA LEU 51 2.172 -0.457 1.675
336 HB2 LEU 51 1HB LEU 51 3.878 -1.165 4.054
337 HB3 LEU 51 2HB LEU 51 2.546 -0.011 4.004
338 HG LEU 51 HG LEU 51 2.128 -2.943 3.491
339 HD11 LEU 51 1HD1 LEU 51 1.480 -1.839 6.150
340 HD12 LEU 51 2HD1 LEU 51 3.186 -2.129 5.815
341 HD13 LEU 51 3HD1 LEU 51 2.027 -3.451 5.688
342 HD21 LEU 51 1HD2 LEU 51 0.296 -0.737 4.428
343 HD22 LEU 51 2HD2 LEU 51 -0.160 -2.417 4.145
344 HD23 LEU 51 3HD2 LEU 51 0.358 -1.403 2.797
345 H TRP 52 H TRP 52 5.597 -1.073 2.414
346 HA TRP 52 HA TRP 52 6.493 1.546 2.507
347 HB2 TRP 52 1HB TRP 52 7.862 -0.985 1.602
348 HB3 TRP 52 2HB TRP 52 8.707 0.557 1.711
349 HD1 TRP 52 HD TRP 52 7.563 -2.343 3.798
350 HE1 TRP 52 1HE TRP 52 8.228 -1.960 6.254
351 HE3 TRP 52 3HE TRP 52 8.981 2.560 3.500
352 HZ2 TRP 52 2HZ TRP 52 9.221 0.142 7.855
353 HZ3 TRP 52 3HZ TRP 52 9.776 3.683 5.540
354 HH2 TRP 52 HH TRP 52 9.892 2.498 7.671
355 H LYS 53 H LYS 53 6.445 -0.621 -0.323
356 HA LYS 53 HA LYS 53 7.481 0.922 -2.275
357 HB2 LYS 53 1HB LYS 53 5.113 -0.920 -2.304
358 HB3 LYS 53 2HB LYS 53 5.584 -0.063 -3.767
359 HG2 LYS 53 1HG LYS 53 7.797 -1.077 -3.660
360 HG3 LYS 53 2HG LYS 53 7.343 -1.922 -2.178
361 HD2 LYS 53 1HD LYS 53 5.972 -3.395 -3.277
362 HD3 LYS 53 2HD LYS 53 5.627 -2.264 -4.587
363 HE2 LYS 53 1HE LYS 53 8.123 -2.567 -5.187
364 HE3 LYS 53 2HE LYS 53 8.029 -4.008 -4.176
365 HZ1 LYS 53 1HZ LYS 53 6.058 -4.645 -5.601
366 HZ2 LYS 53 2HZ LYS 53 7.577 -4.728 -6.341
367 HZ3 LYS 53 3HZ LYS 53 6.547 -3.427 -6.670
368 H HIS 54 H HIS 54 4.219 1.242 -0.942
369 HA HIS 54 HA HIS 54 3.441 3.347 -2.702
370 HB2 HIS 54 1HB HIS 54 1.754 1.952 -1.653
371 HB3 HIS 54 2HB HIS 54 2.295 2.447 -0.052
372 HD1 HIS 54 1HD HIS 54 0.787 4.026 -3.164
373 HD2 HIS 54 2HD HIS 54 0.939 4.569 0.953
374 HE1 HIS 54 1HE HIS 54 -0.773 5.939 -2.680
375 H LEU 55 H LEU 55 4.609 3.236 0.645
376 HA LEU 55 HA LEU 55 4.397 5.953 1.237
377 HB2 LEU 55 1HB LEU 55 6.500 4.021 2.204
378 HB3 LEU 55 2HB LEU 55 6.062 5.549 2.967
379 HG LEU 55 HG LEU 55 4.191 3.200 2.683
380 HD11 LEU 55 1HD1 LEU 55 5.724 2.350 4.166
381 HD12 LEU 55 2HD1 LEU 55 4.627 3.193 5.260
382 HD13 LEU 55 3HD1 LEU 55 6.158 3.938 4.799
383 HD21 LEU 55 1HD2 LEU 55 2.673 4.387 3.938
384 HD22 LEU 55 2HD2 LEU 55 3.393 5.671 2.966
385 HD23 LEU 55 3HD2 LEU 55 3.906 5.436 4.638
386 H LYS 56 H LYS 56 7.083 4.142 -0.208
387 HA LYS 56 HA LYS 56 8.714 6.494 -0.504
388 HB2 LYS 56 1HB LYS 56 9.073 3.778 -1.780
389 HB3 LYS 56 2HB LYS 56 10.295 5.033 -1.615
390 HG2 LYS 56 1HG LYS 56 10.667 4.579 0.580
391 HG3 LYS 56 2HG LYS 56 9.011 4.039 0.865
392 HD2 LYS 56 1HD LYS 56 9.427 1.924 -0.079
393 HD3 LYS 56 2HD LYS 56 10.930 2.464 -0.830
394 HE2 LYS 56 1HE LYS 56 10.538 2.390 2.151
395 HE3 LYS 56 2HE LYS 56 11.145 1.009 1.240
396 HZ1 LYS 56 1HZ LYS 56 12.710 3.018 0.363
397 HZ2 LYS 56 2HZ LYS 56 13.130 1.938 1.595
398 HZ3 LYS 56 3HZ LYS 56 12.481 3.452 1.982
399 H SER 57 H SER 57 6.092 5.255 -2.167
400 HA SER 57 HA SER 57 6.920 6.059 -4.817
401 HB2 SER 57 1HB SER 57 5.415 4.164 -4.613
402 HB3 SER 57 2HB SER 57 4.241 5.148 -3.739
403 HG SER 57 HG SER 57 3.607 5.045 -5.873
404 H MET 58 H MET 58 4.857 7.296 -2.239
405 HA MET 58 HA MET 58 4.753 9.868 -3.664
406 HB2 MET 58 1HB MET 58 2.487 10.230 -2.946
407 HB3 MET 58 2HB MET 58 2.564 8.676 -3.765
408 HG2 MET 58 1HG MET 58 2.347 7.481 -1.775
409 HG3 MET 58 2HG MET 58 2.772 8.876 -0.787
410 HE1 MET 58 1HE MET 58 -0.178 7.706 -3.397
411 HE2 MET 58 2HE MET 58 -1.040 9.240 -3.275
412 HE3 MET 58 3HE MET 58 0.631 9.209 -3.842
413 H HIS 59 H HIS 59 4.763 8.155 -0.593
414 HA HIS 59 HA HIS 59 5.100 10.632 0.898
415 HB2 HIS 59 1HB HIS 59 5.056 7.769 1.875
416 HB3 HIS 59 2HB HIS 59 5.026 9.208 2.890
417 HD1 HIS 59 1HD HIS 59 2.838 10.841 2.274
418 HD2 HIS 59 2HD HIS 59 2.588 6.784 1.413
419 HE1 HIS 59 1HE HIS 59 0.381 10.349 2.057
420 H ARG 60 H ARG 60 7.123 9.380 -1.028
421 HA ARG 60 HA ARG 60 9.335 8.352 0.223
422 HB2 ARG 60 1HB ARG 60 9.509 8.461 -2.090
423 HB3 ARG 60 2HB ARG 60 8.996 10.142 -2.151
424 HG2 ARG 60 1HG ARG 60 11.564 9.522 -0.800
425 HG3 ARG 60 2HG ARG 60 11.502 9.428 -2.561
426 HD2 ARG 60 1HD ARG 60 10.367 11.757 -2.385
427 HD3 ARG 60 2HD ARG 60 11.078 11.789 -0.772
428 HE ARG 60 HE ARG 60 13.193 11.166 -2.289
429 HH11 ARG 60 2HH1 ARG 60 10.748 13.621 -2.629
430 HH12 ARG 60 1HH1 ARG 60 11.796 14.737 -3.441
431 HH21 ARG 60 2HH2 ARG 60 14.582 12.627 -3.356
432 HH22 ARG 60 1HH2 ARG 60 13.977 14.170 -3.854
433 H GLU 61 H GLU 61 8.260 11.700 0.119
434 HA GLU 61 HA GLU 61 10.624 12.738 1.370
435 HB2 GLU 61 1HB GLU 61 7.907 13.909 0.793
436 HB3 GLU 61 2HB GLU 61 9.154 14.805 1.648
437 HG2 GLU 61 1HG GLU 61 10.540 14.900 -0.218
438 HG3 GLU 61 2HG GLU 61 9.693 13.585 -1.030
439 H GLU 62 H GLU 62 7.377 11.845 2.435
440 HA GLU 62 HA GLU 62 7.485 12.823 5.042
441 HB2 GLU 62 1HB GLU 62 5.552 11.675 3.679
442 HB3 GLU 62 2HB GLU 62 6.137 10.215 4.465
443 HG2 GLU 62 1HG GLU 62 5.442 10.875 6.529
444 HG3 GLU 62 2HG GLU 62 5.614 12.590 6.162
445 H LEU 63 H LEU 63 8.462 9.654 3.773
446 HA LEU 63 HA LEU 63 9.206 8.482 6.197
447 HB2 LEU 63 1HB LEU 63 10.417 8.042 3.472
448 HB3 LEU 63 2HB LEU 63 10.565 6.960 4.856
449 HG LEU 63 HG LEU 63 7.978 7.613 3.446
450 HD11 LEU 63 1HD1 LEU 63 10.009 6.080 2.451
451 HD12 LEU 63 2HD1 LEU 63 8.302 5.903 2.045
452 HD13 LEU 63 3HD1 LEU 63 9.019 4.889 3.296
453 HD21 LEU 63 1HD2 LEU 63 8.388 6.652 5.999
454 HD22 LEU 63 2HD2 LEU 63 8.129 5.191 5.046
455 HD23 LEU 63 3HD2 LEU 63 6.917 6.473 5.042
456 H GLU 64 H GLU 64 11.251 10.166 3.811
457 HA GLU 64 HA GLU 64 13.693 10.016 4.995
458 HB2 GLU 64 1HB GLU 64 12.411 12.340 3.566
459 HB3 GLU 64 2HB GLU 64 14.097 12.353 4.064
460 HG2 GLU 64 1HG GLU 64 14.434 10.282 2.720
461 HG3 GLU 64 2HG GLU 64 12.788 10.471 2.119
462 H LYS 65 H LYS 65 11.159 12.381 5.769
463 HA LYS 65 HA LYS 65 12.543 13.846 7.690
464 HB2 LYS 65 1HB LYS 65 9.609 13.233 7.367
465 HB3 LYS 65 2HB LYS 65 10.210 14.296 8.633
466 HG2 LYS 65 1HG LYS 65 11.306 15.642 6.786
467 HG3 LYS 65 2HG LYS 65 10.335 14.691 5.659
468 HD2 LYS 65 1HD LYS 65 9.165 16.242 7.963
469 HD3 LYS 65 2HD LYS 65 9.343 16.902 6.335
470 HE2 LYS 65 1HE LYS 65 7.924 14.304 6.802
471 HE3 LYS 65 2HE LYS 65 7.088 15.842 7.013
472 HZ1 LYS 65 1HZ LYS 65 6.995 14.688 4.739
473 HZ2 LYS 65 2HZ LYS 65 8.568 15.274 4.527
474 HZ3 LYS 65 3HZ LYS 65 7.290 16.353 4.782
475 H SER 66 H SER 66 10.548 10.936 8.072
476 HA SER 66 HA SER 66 10.769 10.769 10.878
477 HB2 SER 66 1HB SER 66 10.238 8.626 8.808
478 HB3 SER 66 2HB SER 66 10.090 8.379 10.548
479 HG SER 66 HG SER 66 8.151 9.050 9.193
480 H GLY 67 H GLY 67 12.473 8.913 8.346
481 HA2 GLY 67 1HA GLY 67 14.976 8.897 8.683
482 HA3 GLY 67 2HA GLY 67 14.603 8.392 10.325
483 H HIS 68 H HIS 68 13.145 7.351 7.263
484 HA HIS 68 HA HIS 68 14.113 4.627 7.838
485 HB2 HIS 68 1HB HIS 68 11.439 5.510 6.748
486 HB3 HIS 68 2HB HIS 68 12.004 3.843 6.686
487 HD1 HIS 68 1HD HIS 68 11.903 2.483 8.838
488 HD2 HIS 68 2HD HIS 68 10.792 6.454 9.343
489 HE1 HIS 68 1HE HIS 68 10.896 2.612 11.139
490 H GLY 69 H GLY 69 15.938 5.069 6.480
491 HA2 GLY 69 1HA GLY 69 15.717 5.903 3.790
492 HA3 GLY 69 2HA GLY 69 17.087 5.055 4.491
493 H GLN 70 H GLN 70 16.190 2.633 5.133
494 HA GLN 70 HA GLN 70 14.928 1.566 2.701
495 HB2 GLN 70 1HB GLN 70 17.527 0.794 3.960
496 HB3 GLN 70 2HB GLN 70 16.567 -0.444 3.162
497 HG2 GLN 70 1HG GLN 70 18.100 0.333 1.560
498 HG3 GLN 70 2HG GLN 70 16.545 1.044 1.132
499 HE21 GLN 70 1HE2 GLN 70 16.671 3.074 0.538
500 HE22 GLN 70 2HE2 GLN 70 17.811 4.240 1.108
501 H SER 71 H SER 71 15.973 0.741 6.004
502 HA SER 71 HA SER 71 14.906 -0.362 7.690
503 HB2 SER 71 1HB SER 71 12.932 1.037 6.932
504 HB3 SER 71 2HB SER 71 12.419 -0.351 5.973
505 HG SER 71 HG SER 71 12.287 0.063 8.689
506 H GLY 72 H GLY 72 16.403 -1.811 5.863
507 HA2 GLY 72 1HA GLY 72 16.178 -4.372 6.385
508 HA3 GLY 72 2HA GLY 72 14.840 -4.214 5.256
509 HA PRO 73 HA PRO 73 17.921 -5.317 2.251
510 HB2 PRO 73 1HB PRO 73 16.270 -5.215 0.098
511 HB3 PRO 73 2HB PRO 73 16.271 -6.560 1.245
512 HG2 PRO 73 1HG PRO 73 14.421 -4.212 1.080
513 HG3 PRO 73 2HG PRO 73 14.040 -5.918 1.373
514 HD2 PRO 73 1HD PRO 73 14.173 -4.092 3.368
515 HD3 PRO 73 2HD PRO 73 14.617 -5.795 3.601
516 H SER 74 H SER 74 19.369 -4.042 1.289
517 HA SER 74 HA SER 74 18.561 -1.320 0.537
518 HB2 SER 74 1HB SER 74 21.148 -2.536 1.437
519 HB3 SER 74 2HB SER 74 21.178 -1.070 0.457
520 HG SER 74 HG SER 74 19.729 -1.385 2.879
521 H SER 75 H SER 75 20.834 -3.828 -0.595
522 HA SER 75 HA SER 75 20.853 -2.731 -3.257
523 HB2 SER 75 1HB SER 75 22.114 -5.182 -2.023
524 HB3 SER 75 2HB SER 75 22.260 -4.801 -3.738
525 HG SER 75 HG SER 75 22.835 -2.667 -2.148
526 H GLY 76 H GLY 76 18.624 -2.887 -3.813
527 HA2 GLY 76 1HA GLY 76 17.553 -4.351 -5.549
528 HA3 GLY 76 2HA GLY 76 17.730 -5.647 -4.375
Start of MODEL 7
1 H1 GLY 1 H GLY 1 23.324 -17.595 15.616
2 HA2 GLY 1 1HA GLY 1 23.505 -16.525 13.116
3 HA3 GLY 1 2HA GLY 1 21.862 -17.146 13.178
4 H SER 2 H SER 2 20.457 -15.587 13.586
5 HA SER 2 HA SER 2 20.579 -13.992 15.919
6 HB2 SER 2 1HB SER 2 22.208 -12.643 14.838
7 HB3 SER 2 2HB SER 2 21.332 -12.679 13.308
8 HG SER 2 HG SER 2 20.868 -11.158 15.599
9 H SER 3 H SER 3 18.547 -13.571 16.474
10 HA SER 3 HA SER 3 16.368 -14.275 14.839
11 HB2 SER 3 1HB SER 3 14.985 -13.176 16.625
12 HB3 SER 3 2HB SER 3 16.136 -14.364 17.236
13 HG SER 3 HG SER 3 17.475 -12.179 17.282
14 H GLY 4 H GLY 4 16.443 -13.156 12.895
15 HA2 GLY 4 1HA GLY 4 16.731 -10.353 12.669
16 HA3 GLY 4 2HA GLY 4 16.078 -11.421 11.436
17 H SER 5 H SER 5 15.364 -8.750 13.054
18 HA SER 5 HA SER 5 12.680 -9.296 13.912
19 HB2 SER 5 1HB SER 5 14.128 -6.677 13.455
20 HB3 SER 5 2HB SER 5 12.532 -6.827 14.190
21 HG SER 5 HG SER 5 15.007 -7.268 15.270
22 H SER 6 H SER 6 10.817 -8.038 13.023
23 HA SER 6 HA SER 6 10.856 -8.225 10.098
24 HB2 SER 6 1HB SER 6 8.713 -8.443 12.177
25 HB3 SER 6 2HB SER 6 8.269 -7.957 10.541
26 HG SER 6 HG SER 6 9.935 -10.177 10.837
27 H GLY 7 H GLY 7 10.107 -6.561 8.775
28 HA2 GLY 7 1HA GLY 7 10.334 -3.905 9.979
29 HA3 GLY 7 2HA GLY 7 10.408 -4.276 8.263
30 H SER 8 H SER 8 8.024 -4.848 10.854
31 HA SER 8 HA SER 8 5.876 -4.180 9.024
32 HB2 SER 8 1HB SER 8 4.409 -4.784 10.965
33 HB3 SER 8 2HB SER 8 5.510 -6.072 10.477
34 HG SER 8 HG SER 8 6.465 -5.948 12.347
35 H GLU 9 H GLU 9 7.658 -2.046 9.663
36 HA GLU 9 HA GLU 9 6.335 -0.347 11.588
37 HB2 GLU 9 1HB GLU 9 8.847 -0.394 11.065
38 HB3 GLU 9 2HB GLU 9 8.442 0.519 9.619
39 HG2 GLU 9 1HG GLU 9 7.592 2.333 10.915
40 HG3 GLU 9 2HG GLU 9 7.732 1.400 12.405
41 H ALA 10 H ALA 10 6.554 -0.632 8.086
42 HA ALA 10 HA ALA 10 5.413 1.746 7.278
43 HB1 ALA 10 1HB ALA 10 5.215 -1.014 6.100
44 HB2 ALA 10 2HB ALA 10 4.555 0.416 5.306
45 HB3 ALA 10 3HB ALA 10 6.286 0.304 5.623
46 H TRP 11 H TRP 11 3.891 -1.051 8.709
47 HA TRP 11 HA TRP 11 1.240 -0.660 8.020
48 HB2 TRP 11 1HB TRP 11 2.625 -1.884 10.359
49 HB3 TRP 11 2HB TRP 11 0.892 -1.594 10.486
50 HD1 TRP 11 HD TRP 11 3.196 -4.209 9.484
51 HE1 TRP 11 1HE TRP 11 2.049 -5.957 7.983
52 HE3 TRP 11 3HE TRP 11 -1.031 -1.598 8.280
53 HZ2 TRP 11 2HZ TRP 11 -0.332 -6.197 6.485
54 HZ3 TRP 11 3HZ TRP 11 -2.693 -2.658 6.808
55 HH2 TRP 11 HH TRP 11 -2.349 -4.910 5.929
56 H GLU 12 H GLU 12 3.231 1.107 10.265
57 HA GLU 12 HA GLU 12 1.272 2.353 11.812
58 HB2 GLU 12 1HB GLU 12 3.941 3.445 10.903
59 HB3 GLU 12 2HB GLU 12 2.961 4.122 12.196
60 HG2 GLU 12 1HG GLU 12 3.880 1.275 12.275
61 HG3 GLU 12 2HG GLU 12 4.918 2.592 12.817
62 H TYR 13 H TYR 13 2.040 2.742 8.507
63 HA TYR 13 HA TYR 13 0.603 5.304 8.381
64 HB2 TYR 13 1HB TYR 13 2.268 3.984 6.230
65 HB3 TYR 13 2HB TYR 13 1.595 5.610 6.189
66 HD1 TYR 13 2HD TYR 13 4.180 3.463 7.681
67 HD2 TYR 13 1HD TYR 13 2.645 7.420 7.379
68 HE1 TYR 13 2HE TYR 13 6.239 4.334 8.705
69 HE2 TYR 13 1HE TYR 13 4.700 8.302 8.401
70 HH TYR 13 HH TYR 13 6.558 7.698 9.617
71 H PHE 14 H PHE 14 -0.435 2.428 8.576
72 HA PHE 14 HA PHE 14 -2.544 2.784 6.616
73 HB2 PHE 14 1HB PHE 14 -0.857 0.274 6.684
74 HB3 PHE 14 2HB PHE 14 -2.342 0.472 5.759
75 HD1 PHE 14 1HD PHE 14 1.066 1.891 6.173
76 HD2 PHE 14 2HD PHE 14 -2.268 1.298 3.594
77 HE1 PHE 14 1HE PHE 14 2.367 2.793 4.289
78 HE2 PHE 14 2HE PHE 14 -0.972 2.198 1.706
79 HZ PHE 14 HZ PHE 14 1.348 2.947 2.052
80 H HIS 15 H HIS 15 -4.378 1.347 6.994
81 HA HIS 15 HA HIS 15 -4.412 -0.010 9.579
82 HB2 HIS 15 1HB HIS 15 -6.027 1.282 10.566
83 HB3 HIS 15 2HB HIS 15 -5.233 2.522 9.599
84 HD1 HIS 15 1HD HIS 15 -8.103 0.066 9.070
85 HD2 HIS 15 2HD HIS 15 -7.029 3.991 8.233
86 HE1 HIS 15 1HE HIS 15 -10.077 1.062 7.873
87 H LEU 16 H LEU 16 -5.466 -1.883 9.455
88 HA LEU 16 HA LEU 16 -6.612 -2.777 7.033
89 HB2 LEU 16 1HB LEU 16 -6.682 -3.905 9.823
90 HB3 LEU 16 2HB LEU 16 -7.354 -4.736 8.422
91 HG LEU 16 HG LEU 16 -4.452 -3.972 8.731
92 HD11 LEU 16 1HD1 LEU 16 -3.982 -6.168 9.380
93 HD12 LEU 16 2HD1 LEU 16 -5.586 -6.743 8.925
94 HD13 LEU 16 3HD1 LEU 16 -5.387 -5.717 10.346
95 HD21 LEU 16 1HD2 LEU 16 -5.789 -5.819 6.759
96 HD22 LEU 16 2HD2 LEU 16 -4.085 -5.367 6.809
97 HD23 LEU 16 3HD2 LEU 16 -5.307 -4.159 6.408
98 H ALA 17 H ALA 17 -8.738 -3.170 6.456
99 HA ALA 17 HA ALA 17 -10.703 -1.511 7.828
100 HB1 ALA 17 1HB ALA 17 -10.192 -1.967 5.167
101 HB2 ALA 17 2HB ALA 17 -11.631 -2.942 5.468
102 HB3 ALA 17 3HB ALA 17 -11.645 -1.215 5.826
103 HA PRO 18 HA PRO 18 -12.947 -4.766 9.731
104 HB2 PRO 18 1HB PRO 18 -15.517 -3.951 9.408
105 HB3 PRO 18 2HB PRO 18 -14.394 -3.167 10.526
106 HG2 PRO 18 1HG PRO 18 -15.204 -2.341 7.765
107 HG3 PRO 18 2HG PRO 18 -15.002 -1.344 9.217
108 HD2 PRO 18 1HD PRO 18 -13.120 -1.489 7.276
109 HD3 PRO 18 2HD PRO 18 -12.711 -1.250 8.987
110 H ALA 19 H ALA 19 -13.896 -6.709 9.284
111 HA ALA 19 HA ALA 19 -14.848 -7.125 6.524
112 HB1 ALA 19 1HB ALA 19 -12.585 -8.206 7.509
113 HB2 ALA 19 2HB ALA 19 -13.749 -9.456 7.949
114 HB3 ALA 19 3HB ALA 19 -13.576 -8.967 6.264
115 H ARG 20 H ARG 20 -16.255 -9.108 6.323
116 HA ARG 20 HA ARG 20 -18.159 -9.130 8.557
117 HB2 ARG 20 1HB ARG 20 -19.783 -9.988 6.903
118 HB3 ARG 20 2HB ARG 20 -19.111 -8.430 6.440
119 HG2 ARG 20 1HG ARG 20 -17.552 -9.596 4.920
120 HG3 ARG 20 2HG ARG 20 -18.336 -11.121 5.336
121 HD2 ARG 20 1HD ARG 20 -20.007 -8.850 4.371
122 HD3 ARG 20 2HD ARG 20 -19.053 -9.763 3.202
123 HE ARG 20 HE ARG 20 -20.324 -11.713 4.534
124 HH11 ARG 20 2HH1 ARG 20 -21.458 -8.752 3.097
125 HH12 ARG 20 1HH1 ARG 20 -23.031 -9.380 2.731
126 HH21 ARG 20 2HH2 ARG 20 -22.391 -12.551 4.058
127 HH22 ARG 20 1HH2 ARG 20 -23.561 -11.540 3.280
128 H ALA 21 H ALA 21 -19.054 -11.093 9.304
129 HA ALA 21 HA ALA 21 -17.481 -13.117 10.020
130 HB1 ALA 21 1HB ALA 21 -19.362 -14.450 10.412
131 HB2 ALA 21 2HB ALA 21 -19.978 -12.798 10.476
132 HB3 ALA 21 3HB ALA 21 -20.236 -13.781 9.034
133 H GLY 22 H GLY 22 -15.970 -14.086 8.804
134 HA2 GLY 22 1HA GLY 22 -16.051 -16.181 7.290
135 HA3 GLY 22 2HA GLY 22 -16.719 -15.046 6.126
136 H HIS 23 H HIS 23 -15.348 -13.095 5.677
137 HA HIS 23 HA HIS 23 -12.653 -13.986 5.129
138 HB2 HIS 23 1HB HIS 23 -13.833 -11.279 4.505
139 HB3 HIS 23 2HB HIS 23 -12.464 -12.065 3.724
140 HD1 HIS 23 1HD HIS 23 -16.099 -11.688 3.523
141 HD2 HIS 23 2HD HIS 23 -13.229 -14.308 2.053
142 HE1 HIS 23 1HE HIS 23 -17.226 -12.943 1.657
143 H HIS 24 H HIS 24 -10.772 -13.140 5.943
144 HA HIS 24 HA HIS 24 -10.946 -11.911 8.533
145 HB2 HIS 24 1HB HIS 24 -8.352 -11.917 8.216
146 HB3 HIS 24 2HB HIS 24 -9.204 -13.442 8.438
147 HD1 HIS 24 1HD HIS 24 -7.865 -11.307 5.594
148 HD2 HIS 24 2HD HIS 24 -8.705 -15.274 6.500
149 HE1 HIS 24 1HE HIS 24 -7.032 -12.636 3.629
150 HA PRO 25 HA PRO 25 -10.392 -7.681 7.515
151 HB2 PRO 25 1HB PRO 25 -8.750 -6.828 9.502
152 HB3 PRO 25 2HB PRO 25 -10.449 -7.237 9.769
153 HG2 PRO 25 1HG PRO 25 -8.002 -8.880 10.288
154 HG3 PRO 25 2HG PRO 25 -9.443 -8.669 11.299
155 HD2 PRO 25 1HD PRO 25 -9.062 -10.853 9.744
156 HD3 PRO 25 2HD PRO 25 -10.675 -10.191 10.083
157 H ASN 26 H ASN 26 -7.998 -9.878 7.044
158 HA ASN 26 HA ASN 26 -5.922 -7.932 6.371
159 HB2 ASN 26 1HB ASN 26 -5.725 -10.930 6.103
160 HB3 ASN 26 2HB ASN 26 -4.413 -9.762 6.222
161 HD21 ASN 26 1HD2 ASN 26 -4.647 -8.359 8.302
162 HD22 ASN 26 2HD2 ASN 26 -4.897 -9.264 9.752
163 H GLN 27 H GLN 27 -8.148 -7.692 4.782
164 HA GLN 27 HA GLN 27 -7.519 -9.084 2.284
165 HB2 GLN 27 1HB GLN 27 -9.680 -8.296 1.492
166 HB3 GLN 27 2HB GLN 27 -9.860 -9.105 3.043
167 HG2 GLN 27 1HG GLN 27 -9.566 -6.134 2.902
168 HG3 GLN 27 2HG GLN 27 -11.126 -6.904 2.615
169 HE21 GLN 27 1HE2 GLN 27 -11.693 -8.584 4.338
170 HE22 GLN 27 2HE2 GLN 27 -11.428 -8.100 5.975
171 H TYR 28 H TYR 28 -7.655 -5.884 3.715
172 HA TYR 28 HA TYR 28 -5.947 -4.856 1.624
173 HB2 TYR 28 1HB TYR 28 -8.778 -3.890 1.984
174 HB3 TYR 28 2HB TYR 28 -7.533 -2.868 1.276
175 HD1 TYR 28 2HD TYR 28 -9.514 -5.938 0.819
176 HD2 TYR 28 1HD TYR 28 -6.741 -3.243 -0.954
177 HE1 TYR 28 2HE TYR 28 -9.926 -6.968 -1.376
178 HE2 TYR 28 1HE TYR 28 -7.146 -4.264 -3.155
179 HH TYR 28 HH TYR 28 -9.580 -5.868 -4.017
180 H ALA 29 H ALA 29 -5.204 -2.641 2.098
181 HA ALA 29 HA ALA 29 -5.378 -2.015 4.974
182 HB1 ALA 29 1HB ALA 29 -3.046 -1.340 4.939
183 HB2 ALA 29 2HB ALA 29 -3.209 -3.017 4.414
184 HB3 ALA 29 3HB ALA 29 -2.937 -1.743 3.225
185 H THR 30 H THR 30 -5.770 0.059 5.517
186 HA THR 30 HA THR 30 -6.148 1.963 3.315
187 HB THR 30 HB THR 30 -7.155 2.261 6.145
188 HG1 THR 30 1HG THR 30 -8.826 1.041 5.628
189 HG21 THR 30 1HG2 THR 30 -7.006 4.113 4.162
190 HG22 THR 30 2HG2 THR 30 -8.219 4.122 5.443
191 HG23 THR 30 3HG2 THR 30 -8.604 3.429 3.868
192 H CYS 31 H CYS 31 -4.471 3.264 2.980
193 HA CYS 31 HA CYS 31 -2.391 3.760 4.778
194 HB2 CYS 31 1HB CYS 31 -2.386 4.110 2.263
195 HB3 CYS 31 2HB CYS 31 -3.227 5.627 2.559
196 H ARG 32 H ARG 32 -2.219 5.036 6.497
197 HA ARG 32 HA ARG 32 -4.426 6.760 7.223
198 HB2 ARG 32 1HB ARG 32 -1.836 6.220 8.688
199 HB3 ARG 32 2HB ARG 32 -3.253 7.027 9.348
200 HG2 ARG 32 1HG ARG 32 -4.526 5.025 9.289
201 HG3 ARG 32 2HG ARG 32 -3.291 4.195 8.341
202 HD2 ARG 32 1HD ARG 32 -1.931 3.869 10.144
203 HD3 ARG 32 2HD ARG 32 -2.486 5.328 10.963
204 HE ARG 32 HE ARG 32 -4.649 3.665 10.995
205 HH11 ARG 32 2HH1 ARG 32 -1.342 3.423 12.058
206 HH12 ARG 32 1HH1 ARG 32 -1.703 2.340 13.360
207 HH21 ARG 32 2HH2 ARG 32 -5.136 2.238 12.706
208 HH22 ARG 32 1HH2 ARG 32 -3.862 1.665 13.728
209 H LEU 33 H LEU 33 -1.891 7.177 5.240
210 HA LEU 33 HA LEU 33 -1.188 9.870 6.122
211 HB2 LEU 33 1HB LEU 33 -0.147 8.115 3.909
212 HB3 LEU 33 2HB LEU 33 0.383 9.776 4.164
213 HG LEU 33 HG LEU 33 0.712 7.540 6.163
214 HD11 LEU 33 1HD1 LEU 33 2.837 7.173 5.407
215 HD12 LEU 33 2HD1 LEU 33 2.988 8.784 4.706
216 HD13 LEU 33 3HD1 LEU 33 2.031 7.551 3.885
217 HD21 LEU 33 1HD2 LEU 33 0.851 10.357 6.421
218 HD22 LEU 33 2HD2 LEU 33 2.496 9.727 6.518
219 HD23 LEU 33 3HD2 LEU 33 1.254 9.124 7.616
220 H CYS 34 H CYS 34 -2.450 8.257 3.209
221 HA CYS 34 HA CYS 34 -3.653 10.831 2.423
222 HB2 CYS 34 1HB CYS 34 -3.487 10.109 0.099
223 HB3 CYS 34 2HB CYS 34 -1.900 10.077 0.862
224 H GLY 35 H GLY 35 -4.096 7.348 2.673
225 HA2 GLY 35 1HA GLY 35 -6.237 6.505 3.419
226 HA3 GLY 35 2HA GLY 35 -7.005 7.801 2.514
227 H ARG 36 H ARG 36 -4.367 6.045 1.104
228 HA ARG 36 HA ARG 36 -6.164 5.043 -0.954
229 HB2 ARG 36 1HB ARG 36 -3.155 5.140 -0.735
230 HB3 ARG 36 2HB ARG 36 -3.999 4.375 -2.075
231 HG2 ARG 36 1HG ARG 36 -4.759 7.160 -1.443
232 HG3 ARG 36 2HG ARG 36 -3.156 6.903 -2.135
233 HD2 ARG 36 1HD ARG 36 -4.361 7.118 -4.058
234 HD3 ARG 36 2HD ARG 36 -4.521 5.379 -3.810
235 HE ARG 36 HE ARG 36 -6.596 7.391 -3.485
236 HH11 ARG 36 2HH1 ARG 36 -5.594 4.083 -3.077
237 HH12 ARG 36 1HH1 ARG 36 -7.209 3.474 -2.934
238 HH21 ARG 36 2HH2 ARG 36 -8.728 6.602 -3.297
239 HH22 ARG 36 1HH2 ARG 36 -8.992 4.908 -3.060
240 H GLN 37 H GLN 37 -6.633 2.938 -1.312
241 HA GLN 37 HA GLN 37 -6.052 1.061 0.790
242 HB2 GLN 37 1HB GLN 37 -7.486 0.572 -1.824
243 HB3 GLN 37 2HB GLN 37 -7.541 -0.440 -0.386
244 HG2 GLN 37 1HG GLN 37 -8.584 1.476 0.826
245 HG3 GLN 37 2HG GLN 37 -8.681 2.321 -0.718
246 HE21 GLN 37 1HE2 GLN 37 -10.863 1.599 0.963
247 HE22 GLN 37 2HE2 GLN 37 -11.865 0.510 0.071
248 H VAL 38 H VAL 38 -4.405 -0.309 0.857
249 HA VAL 38 HA VAL 38 -3.090 -1.060 -1.672
250 HB VAL 38 HB VAL 38 -1.720 -0.503 0.964
251 HG11 VAL 38 1HG1 VAL 38 -0.433 -1.150 -1.678
252 HG12 VAL 38 2HG1 VAL 38 0.332 -1.039 -0.092
253 HG13 VAL 38 3HG1 VAL 38 -0.771 -2.368 -0.449
254 HG21 VAL 38 1HG2 VAL 38 -0.604 1.309 -0.377
255 HG22 VAL 38 2HG2 VAL 38 -1.806 1.019 -1.634
256 HG23 VAL 38 3HG2 VAL 38 -2.315 1.570 -0.038
257 H SER 39 H SER 39 -3.522 -3.140 -2.002
258 HA SER 39 HA SER 39 -3.927 -4.950 0.230
259 HB2 SER 39 1HB SER 39 -4.575 -6.583 -1.479
260 HB3 SER 39 2HB SER 39 -5.425 -5.058 -1.728
261 HG SER 39 HG SER 39 -3.125 -5.963 -3.125
262 H ARG 40 H ARG 40 -2.602 -6.598 0.831
263 HA ARG 40 HA ARG 40 0.036 -6.687 -0.473
264 HB2 ARG 40 1HB ARG 40 0.867 -7.571 1.696
265 HB3 ARG 40 2HB ARG 40 0.195 -5.951 1.819
266 HG2 ARG 40 1HG ARG 40 -1.751 -6.726 2.891
267 HG3 ARG 40 2HG ARG 40 -1.407 -8.405 2.467
268 HD2 ARG 40 1HD ARG 40 0.597 -6.936 4.095
269 HD3 ARG 40 2HD ARG 40 -0.903 -7.428 4.880
270 HE ARG 40 HE ARG 40 0.127 -9.629 3.498
271 HH11 ARG 40 2HH1 ARG 40 0.911 -7.610 6.224
272 HH12 ARG 40 1HH1 ARG 40 1.767 -8.858 7.068
273 HH21 ARG 40 2HH2 ARG 40 1.251 -11.280 4.599
274 HH22 ARG 40 1HH2 ARG 40 1.961 -10.944 6.142
275 H GLY 41 H GLY 41 -2.525 -8.674 0.950
276 HA2 GLY 41 1HA GLY 41 -3.170 -10.692 -0.265
277 HA3 GLY 41 2HA GLY 41 -1.465 -10.956 -0.596
278 HA PRO 42 HA PRO 42 -2.980 -13.173 3.339
279 HB2 PRO 42 1HB PRO 42 -3.125 -15.695 2.345
280 HB3 PRO 42 2HB PRO 42 -4.499 -14.583 2.346
281 HG2 PRO 42 1HG PRO 42 -2.612 -15.261 0.123
282 HG3 PRO 42 2HG PRO 42 -4.375 -15.072 0.076
283 HD2 PRO 42 1HD PRO 42 -2.679 -13.128 -0.748
284 HD3 PRO 42 2HD PRO 42 -4.253 -12.772 -0.006
285 H GLY 43 H GLY 43 -0.939 -14.627 0.789
286 HA2 GLY 43 1HA GLY 43 1.013 -15.345 2.874
287 HA3 GLY 43 2HA GLY 43 0.897 -16.096 1.290
288 H VAL 44 H VAL 44 1.909 -13.215 3.028
289 HA VAL 44 HA VAL 44 3.709 -12.590 0.780
290 HB VAL 44 HB VAL 44 2.254 -10.614 2.542
291 HG11 VAL 44 1HG1 VAL 44 4.775 -10.326 1.442
292 HG12 VAL 44 2HG1 VAL 44 3.712 -9.521 0.286
293 HG13 VAL 44 3HG1 VAL 44 3.713 -9.026 1.979
294 HG21 VAL 44 1HG2 VAL 44 2.016 -10.319 -0.338
295 HG22 VAL 44 2HG2 VAL 44 1.405 -11.871 0.233
296 HG23 VAL 44 3HG2 VAL 44 0.761 -10.371 0.900
297 H ASN 45 H ASN 45 5.601 -13.363 1.548
298 HA ASN 45 HA ASN 45 6.488 -12.377 4.180
299 HB2 ASN 45 1HB ASN 45 7.900 -14.390 4.346
300 HB3 ASN 45 2HB ASN 45 6.195 -14.806 4.201
301 HD21 ASN 45 1HD2 ASN 45 5.437 -15.302 1.982
302 HD22 ASN 45 2HD2 ASN 45 6.506 -16.179 0.946
303 H VAL 46 H VAL 46 7.302 -10.480 3.120
304 HA VAL 46 HA VAL 46 9.887 -10.967 1.800
305 HB VAL 46 HB VAL 46 9.537 -9.003 0.373
306 HG11 VAL 46 1HG1 VAL 46 7.758 -9.986 -1.094
307 HG12 VAL 46 2HG1 VAL 46 9.024 -11.115 -0.608
308 HG13 VAL 46 3HG1 VAL 46 7.447 -11.164 0.181
309 HG21 VAL 46 1HG2 VAL 46 6.842 -8.951 1.709
310 HG22 VAL 46 2HG2 VAL 46 8.043 -7.662 1.621
311 HG23 VAL 46 3HG2 VAL 46 7.161 -8.145 0.173
312 H GLY 47 H GLY 47 11.209 -8.842 1.773
313 HA2 GLY 47 1HA GLY 47 11.399 -7.967 4.522
314 HA3 GLY 47 2HA GLY 47 12.501 -7.558 3.215
315 H THR 48 H THR 48 10.534 -6.527 1.420
316 HA THR 48 HA THR 48 9.993 -3.978 2.773
317 HB THR 48 HB THR 48 10.224 -4.621 -0.172
318 HG1 THR 48 1HG THR 48 12.238 -4.067 0.124
319 HG21 THR 48 1HG2 THR 48 8.535 -2.857 0.313
320 HG22 THR 48 2HG2 THR 48 9.925 -2.268 -0.599
321 HG23 THR 48 3HG2 THR 48 9.795 -1.930 1.126
322 H THR 49 H THR 49 8.008 -4.245 3.697
323 HA THR 49 HA THR 49 5.833 -5.648 2.752
324 HB THR 49 HB THR 49 5.385 -3.022 4.128
325 HG1 THR 49 1HG THR 49 6.903 -5.175 5.044
326 HG21 THR 49 1HG2 THR 49 4.128 -5.743 4.119
327 HG22 THR 49 2HG2 THR 49 3.379 -4.167 3.857
328 HG23 THR 49 3HG2 THR 49 3.878 -4.649 5.478
329 H ALA 50 H ALA 50 4.431 -5.409 1.133
330 HA ALA 50 HA ALA 50 4.671 -3.868 -1.041
331 HB1 ALA 50 1HB ALA 50 2.145 -3.987 -1.277
332 HB2 ALA 50 2HB ALA 50 2.994 -5.518 -1.060
333 HB3 ALA 50 3HB ALA 50 2.141 -4.784 0.297
334 H LEU 51 H LEU 51 3.302 -2.819 2.015
335 HA LEU 51 HA LEU 51 2.135 -0.416 1.204
336 HB2 LEU 51 1HB LEU 51 3.543 -0.856 3.826
337 HB3 LEU 51 2HB LEU 51 2.212 0.250 3.490
338 HG LEU 51 HG LEU 51 1.946 -2.748 3.352
339 HD11 LEU 51 1HD1 LEU 51 0.642 -2.235 5.566
340 HD12 LEU 51 2HD1 LEU 51 1.757 -0.873 5.658
341 HD13 LEU 51 3HD1 LEU 51 2.383 -2.520 5.590
342 HD21 LEU 51 1HD2 LEU 51 -0.327 -2.402 3.138
343 HD22 LEU 51 2HD2 LEU 51 0.335 -1.077 2.180
344 HD23 LEU 51 3HD2 LEU 51 -0.251 -0.776 3.816
345 H TRP 52 H TRP 52 5.403 -0.978 2.510
346 HA TRP 52 HA TRP 52 6.471 1.498 2.529
347 HB2 TRP 52 1HB TRP 52 7.683 -1.099 1.607
348 HB3 TRP 52 2HB TRP 52 8.632 0.384 1.670
349 HD1 TRP 52 HD TRP 52 7.417 -2.422 3.814
350 HE1 TRP 52 1HE TRP 52 8.119 -2.027 6.259
351 HE3 TRP 52 3HE TRP 52 8.958 2.439 3.441
352 HZ2 TRP 52 2HZ TRP 52 9.184 0.068 7.822
353 HZ3 TRP 52 3HZ TRP 52 9.804 3.566 5.458
354 HH2 TRP 52 HH TRP 52 9.913 2.404 7.603
355 H LYS 53 H LYS 53 6.313 -0.554 -0.380
356 HA LYS 53 HA LYS 53 7.470 1.079 -2.234
357 HB2 LYS 53 1HB LYS 53 5.166 -0.831 -2.411
358 HB3 LYS 53 2HB LYS 53 5.633 0.107 -3.823
359 HG2 LYS 53 1HG LYS 53 6.746 -1.945 -4.032
360 HG3 LYS 53 2HG LYS 53 7.972 -0.802 -3.480
361 HD2 LYS 53 1HD LYS 53 8.084 -1.732 -1.376
362 HD3 LYS 53 2HD LYS 53 6.445 -2.381 -1.461
363 HE2 LYS 53 1HE LYS 53 8.833 -3.403 -2.997
364 HE3 LYS 53 2HE LYS 53 8.133 -4.155 -1.564
365 HZ1 LYS 53 1HZ LYS 53 6.902 -3.870 -4.244
366 HZ2 LYS 53 2HZ LYS 53 6.016 -4.312 -2.873
367 HZ3 LYS 53 3HZ LYS 53 7.275 -5.299 -3.420
368 H HIS 54 H HIS 54 4.142 1.259 -1.037
369 HA HIS 54 HA HIS 54 3.356 3.392 -2.743
370 HB2 HIS 54 1HB HIS 54 1.687 1.943 -1.740
371 HB3 HIS 54 2HB HIS 54 2.196 2.423 -0.123
372 HD1 HIS 54 1HD HIS 54 0.731 4.054 -3.232
373 HD2 HIS 54 2HD HIS 54 0.743 4.464 0.902
374 HE1 HIS 54 1HE HIS 54 -0.886 5.915 -2.736
375 H LEU 55 H LEU 55 4.602 3.236 0.562
376 HA LEU 55 HA LEU 55 4.287 5.953 1.205
377 HB2 LEU 55 1HB LEU 55 6.262 3.901 2.184
378 HB3 LEU 55 2HB LEU 55 6.096 5.511 2.882
379 HG LEU 55 HG LEU 55 3.788 3.589 2.766
380 HD11 LEU 55 1HD1 LEU 55 4.505 2.411 4.522
381 HD12 LEU 55 2HD1 LEU 55 5.154 3.836 5.333
382 HD13 LEU 55 3HD1 LEU 55 6.109 3.012 4.100
383 HD21 LEU 55 1HD2 LEU 55 3.260 5.927 3.191
384 HD22 LEU 55 2HD2 LEU 55 4.427 5.965 4.514
385 HD23 LEU 55 3HD2 LEU 55 2.986 4.953 4.637
386 H LYS 56 H LYS 56 7.059 4.190 -0.148
387 HA LYS 56 HA LYS 56 8.655 6.561 -0.409
388 HB2 LYS 56 1HB LYS 56 9.099 3.907 -1.777
389 HB3 LYS 56 2HB LYS 56 10.296 5.147 -1.431
390 HG2 LYS 56 1HG LYS 56 10.503 4.541 0.750
391 HG3 LYS 56 2HG LYS 56 8.836 3.973 0.866
392 HD2 LYS 56 1HD LYS 56 9.899 1.959 0.888
393 HD3 LYS 56 2HD LYS 56 9.740 2.164 -0.858
394 HE2 LYS 56 1HE LYS 56 12.150 3.288 0.468
395 HE3 LYS 56 2HE LYS 56 12.051 1.538 0.284
396 HZ1 LYS 56 1HZ LYS 56 12.609 1.736 -1.834
397 HZ2 LYS 56 2HZ LYS 56 12.803 3.404 -1.629
398 HZ3 LYS 56 3HZ LYS 56 11.313 2.782 -2.134
399 H SER 57 H SER 57 6.079 5.317 -2.141
400 HA SER 57 HA SER 57 6.952 6.166 -4.762
401 HB2 SER 57 1HB SER 57 5.462 4.254 -4.614
402 HB3 SER 57 2HB SER 57 4.261 5.215 -3.751
403 HG SER 57 HG SER 57 3.604 6.020 -5.582
404 H MET 58 H MET 58 4.718 7.307 -2.266
405 HA MET 58 HA MET 58 4.634 9.905 -3.651
406 HB2 MET 58 1HB MET 58 2.361 10.224 -2.964
407 HB3 MET 58 2HB MET 58 2.467 8.656 -3.753
408 HG2 MET 58 1HG MET 58 2.202 7.494 -1.772
409 HG3 MET 58 2HG MET 58 2.698 8.866 -0.784
410 HE1 MET 58 1HE MET 58 0.487 9.373 -3.778
411 HE2 MET 58 2HE MET 58 -0.300 7.847 -3.370
412 HE3 MET 58 3HE MET 58 -1.169 9.369 -3.171
413 H HIS 59 H HIS 59 4.734 8.169 -0.606
414 HA HIS 59 HA HIS 59 5.024 10.658 0.894
415 HB2 HIS 59 1HB HIS 59 4.955 7.801 1.886
416 HB3 HIS 59 2HB HIS 59 4.912 9.247 2.889
417 HD1 HIS 59 1HD HIS 59 2.729 10.854 2.331
418 HD2 HIS 59 2HD HIS 59 2.500 6.837 1.294
419 HE1 HIS 59 1HE HIS 59 0.276 10.369 2.056
420 H ARG 60 H ARG 60 7.069 9.605 -1.011
421 HA ARG 60 HA ARG 60 9.267 8.480 0.233
422 HB2 ARG 60 1HB ARG 60 9.284 8.732 -2.136
423 HB3 ARG 60 2HB ARG 60 9.088 10.476 -2.020
424 HG2 ARG 60 1HG ARG 60 11.302 10.784 -1.292
425 HG3 ARG 60 2HG ARG 60 11.511 9.064 -0.954
426 HD2 ARG 60 1HD ARG 60 11.170 8.663 -3.422
427 HD3 ARG 60 2HD ARG 60 11.285 10.409 -3.637
428 HE ARG 60 HE ARG 60 13.551 10.272 -3.312
429 HH11 ARG 60 2HH1 ARG 60 12.057 7.286 -2.324
430 HH12 ARG 60 1HH1 ARG 60 13.561 6.451 -2.116
431 HH21 ARG 60 2HH2 ARG 60 15.537 9.183 -3.043
432 HH22 ARG 60 1HH2 ARG 60 15.540 7.532 -2.524
433 H GLU 61 H GLU 61 8.115 11.787 0.312
434 HA GLU 61 HA GLU 61 10.476 12.853 1.539
435 HB2 GLU 61 1HB GLU 61 7.686 13.945 1.180
436 HB3 GLU 61 2HB GLU 61 8.973 14.845 1.971
437 HG2 GLU 61 1HG GLU 61 10.248 14.956 -0.013
438 HG3 GLU 61 2HG GLU 61 9.227 13.765 -0.818
439 H GLU 62 H GLU 62 7.246 11.935 2.688
440 HA GLU 62 HA GLU 62 7.498 12.701 5.344
441 HB2 GLU 62 1HB GLU 62 5.869 10.685 3.887
442 HB3 GLU 62 2HB GLU 62 5.949 10.540 5.637
443 HG2 GLU 62 1HG GLU 62 4.007 11.833 4.864
444 HG3 GLU 62 2HG GLU 62 5.076 12.758 5.917
445 H LEU 63 H LEU 63 8.230 9.530 3.895
446 HA LEU 63 HA LEU 63 9.089 8.198 6.154
447 HB2 LEU 63 1HB LEU 63 10.243 7.982 3.377
448 HB3 LEU 63 2HB LEU 63 10.406 6.784 4.660
449 HG LEU 63 HG LEU 63 7.837 7.567 3.282
450 HD11 LEU 63 1HD1 LEU 63 9.839 5.960 2.326
451 HD12 LEU 63 2HD1 LEU 63 8.141 5.876 1.858
452 HD13 LEU 63 3HD1 LEU 63 8.762 4.807 3.115
453 HD21 LEU 63 1HD2 LEU 63 6.803 6.700 5.044
454 HD22 LEU 63 2HD2 LEU 63 8.342 6.280 5.798
455 HD23 LEU 63 3HD2 LEU 63 7.569 5.152 4.682
456 H GLU 64 H GLU 64 11.262 9.762 3.789
457 HA GLU 64 HA GLU 64 13.625 9.569 5.137
458 HB2 GLU 64 1HB GLU 64 12.651 11.931 3.521
459 HB3 GLU 64 2HB GLU 64 14.326 11.641 3.967
460 HG2 GLU 64 1HG GLU 64 14.310 9.561 2.690
461 HG3 GLU 64 2HG GLU 64 12.630 9.850 2.242
462 H LYS 65 H LYS 65 11.164 12.089 5.549
463 HA LYS 65 HA LYS 65 12.465 13.745 7.335
464 HB2 LYS 65 1HB LYS 65 10.269 14.242 6.339
465 HB3 LYS 65 2HB LYS 65 9.534 12.998 7.341
466 HG2 LYS 65 1HG LYS 65 9.712 14.248 9.263
467 HG3 LYS 65 2HG LYS 65 11.044 15.220 8.635
468 HD2 LYS 65 1HD LYS 65 9.119 16.620 8.697
469 HD3 LYS 65 2HD LYS 65 9.416 16.220 7.004
470 HE2 LYS 65 1HE LYS 65 7.758 14.239 7.547
471 HE3 LYS 65 2HE LYS 65 7.225 15.338 8.818
472 HZ1 LYS 65 1HZ LYS 65 7.503 16.417 6.115
473 HZ2 LYS 65 2HZ LYS 65 6.390 16.812 7.326
474 HZ3 LYS 65 3HZ LYS 65 6.187 15.398 6.418
475 H SER 66 H SER 66 10.552 10.837 8.037
476 HA SER 66 HA SER 66 11.226 11.002 10.859
477 HB2 SER 66 1HB SER 66 9.483 9.145 9.243
478 HB3 SER 66 2HB SER 66 9.860 8.834 10.937
479 HG SER 66 HG SER 66 8.186 10.079 11.251
480 H GLY 67 H GLY 67 13.143 10.347 8.535
481 HA2 GLY 67 1HA GLY 67 15.004 9.036 8.242
482 HA3 GLY 67 2HA GLY 67 14.873 8.670 9.956
483 H HIS 68 H HIS 68 13.358 7.805 6.850
484 HA HIS 68 HA HIS 68 13.265 5.018 7.800
485 HB2 HIS 68 1HB HIS 68 11.170 6.685 6.505
486 HB3 HIS 68 2HB HIS 68 11.265 4.994 6.023
487 HD1 HIS 68 1HD HIS 68 8.965 4.545 7.153
488 HD2 HIS 68 2HD HIS 68 11.947 5.806 9.757
489 HE1 HIS 68 1HE HIS 68 8.087 4.071 9.461
490 H GLY 69 H GLY 69 15.330 4.723 6.782
491 HA2 GLY 69 1HA GLY 69 15.078 4.397 3.859
492 HA3 GLY 69 2HA GLY 69 16.520 5.110 4.567
493 H GLN 70 H GLN 70 16.743 3.396 6.813
494 HA GLN 70 HA GLN 70 18.405 1.436 5.984
495 HB2 GLN 70 1HB GLN 70 16.629 1.678 8.366
496 HB3 GLN 70 2HB GLN 70 17.445 0.144 8.095
497 HG2 GLN 70 1HG GLN 70 18.938 2.742 8.122
498 HG3 GLN 70 2HG GLN 70 18.587 1.850 9.601
499 HE21 GLN 70 1HE2 GLN 70 20.588 1.203 10.152
500 HE22 GLN 70 2HE2 GLN 70 21.588 0.181 9.182
501 H SER 71 H SER 71 14.932 1.377 5.844
502 HA SER 71 HA SER 71 14.752 -1.447 5.308
503 HB2 SER 71 1HB SER 71 12.387 -1.064 5.017
504 HB3 SER 71 2HB SER 71 12.925 -0.131 6.413
505 HG SER 71 HG SER 71 11.890 1.390 5.345
506 H GLY 72 H GLY 72 16.533 -0.898 3.562
507 HA2 GLY 72 1HA GLY 72 15.241 -1.260 1.024
508 HA3 GLY 72 2HA GLY 72 16.043 0.298 1.153
509 HA PRO 73 HA PRO 73 19.598 -2.928 1.592
510 HB2 PRO 73 1HB PRO 73 18.938 -5.554 1.395
511 HB3 PRO 73 2HB PRO 73 18.953 -4.680 2.932
512 HG2 PRO 73 1HG PRO 73 16.637 -5.354 1.159
513 HG3 PRO 73 2HG PRO 73 16.759 -5.449 2.925
514 HD2 PRO 73 1HD PRO 73 15.527 -3.397 1.659
515 HD3 PRO 73 2HD PRO 73 16.386 -3.191 3.199
516 H SER 74 H SER 74 20.309 -2.264 -0.395
517 HA SER 74 HA SER 74 20.127 -4.144 -2.552
518 HB2 SER 74 1HB SER 74 18.940 -1.388 -2.964
519 HB3 SER 74 2HB SER 74 19.155 -2.620 -4.207
520 HG SER 74 HG SER 74 17.144 -2.324 -2.450
521 H SER 75 H SER 75 21.511 -3.546 -4.374
522 HA SER 75 HA SER 75 24.007 -2.614 -3.567
523 HB2 SER 75 1HB SER 75 23.700 -4.050 -5.530
524 HB3 SER 75 2HB SER 75 22.870 -2.742 -6.372
525 HG SER 75 HG SER 75 25.154 -1.749 -5.560
526 H GLY 76 H GLY 76 24.388 -0.625 -2.824
527 HA2 GLY 76 1HA GLY 76 24.663 1.659 -2.854
528 HA3 GLY 76 2HA GLY 76 24.193 1.630 -4.547
Start of MODEL 8
1 H1 GLY 1 H GLY 1 13.632 -21.791 11.566
2 HA2 GLY 1 1HA GLY 1 15.612 -21.367 10.479
3 HA3 GLY 1 2HA GLY 1 14.608 -20.493 9.332
4 H SER 2 H SER 2 16.845 -19.368 9.315
5 HA SER 2 HA SER 2 17.582 -17.663 11.430
6 HB2 SER 2 1HB SER 2 18.129 -17.271 8.478
7 HB3 SER 2 2HB SER 2 19.029 -16.560 9.818
8 HG SER 2 HG SER 2 18.785 -19.331 9.789
9 H SER 3 H SER 3 15.668 -16.651 12.143
10 HA SER 3 HA SER 3 14.368 -14.783 10.310
11 HB2 SER 3 1HB SER 3 13.136 -16.370 11.957
12 HB3 SER 3 2HB SER 3 13.583 -15.186 13.185
13 HG SER 3 HG SER 3 12.328 -13.693 12.227
14 H GLY 4 H GLY 4 14.100 -12.559 10.823
15 HA2 GLY 4 1HA GLY 4 14.885 -11.060 12.899
16 HA3 GLY 4 2HA GLY 4 16.429 -11.443 12.152
17 H SER 5 H SER 5 15.635 -11.376 9.454
18 HA SER 5 HA SER 5 15.725 -8.554 9.003
19 HB2 SER 5 1HB SER 5 15.794 -9.160 6.615
20 HB3 SER 5 2HB SER 5 16.945 -10.112 7.552
21 HG SER 5 HG SER 5 14.812 -11.540 7.607
22 H SER 6 H SER 6 13.724 -7.904 9.979
23 HA SER 6 HA SER 6 11.410 -8.343 8.208
24 HB2 SER 6 1HB SER 6 11.301 -7.977 11.211
25 HB3 SER 6 2HB SER 6 9.930 -8.260 10.139
26 HG SER 6 HG SER 6 10.323 -10.306 10.298
27 H GLY 7 H GLY 7 9.782 -6.582 8.320
28 HA2 GLY 7 1HA GLY 7 10.575 -4.031 9.375
29 HA3 GLY 7 2HA GLY 7 10.777 -4.132 7.632
30 H SER 8 H SER 8 8.317 -4.996 10.068
31 HA SER 8 HA SER 8 6.238 -4.182 8.173
32 HB2 SER 8 1HB SER 8 6.329 -5.978 10.548
33 HB3 SER 8 2HB SER 8 4.806 -5.158 10.207
34 HG SER 8 HG SER 8 5.127 -6.004 7.988
35 H GLU 9 H GLU 9 7.774 -2.119 9.291
36 HA GLU 9 HA GLU 9 6.251 -0.962 11.469
37 HB2 GLU 9 1HB GLU 9 8.824 -0.781 11.003
38 HB3 GLU 9 2HB GLU 9 8.345 0.528 9.932
39 HG2 GLU 9 1HG GLU 9 9.016 1.189 12.263
40 HG3 GLU 9 2HG GLU 9 7.458 1.795 11.704
41 H ALA 10 H ALA 10 6.593 -0.594 8.006
42 HA ALA 10 HA ALA 10 5.444 1.876 7.571
43 HB1 ALA 10 1HB ALA 10 4.628 0.862 5.392
44 HB2 ALA 10 2HB ALA 10 6.359 0.751 5.716
45 HB3 ALA 10 3HB ALA 10 5.325 -0.657 5.958
46 H TRP 11 H TRP 11 3.952 -1.056 8.651
47 HA TRP 11 HA TRP 11 1.311 -0.707 7.918
48 HB2 TRP 11 1HB TRP 11 2.674 -2.027 10.218
49 HB3 TRP 11 2HB TRP 11 0.930 -1.799 10.317
50 HD1 TRP 11 HD TRP 11 3.383 -4.234 9.149
51 HE1 TRP 11 1HE TRP 11 2.315 -5.938 7.542
52 HE3 TRP 11 3HE TRP 11 -0.995 -1.785 8.162
53 HZ2 TRP 11 2HZ TRP 11 -0.067 -6.208 6.053
54 HZ3 TRP 11 3HZ TRP 11 -2.614 -2.834 6.635
55 HH2 TRP 11 HH TRP 11 -2.158 -5.000 5.603
56 H GLU 12 H GLU 12 3.178 1.004 10.302
57 HA GLU 12 HA GLU 12 1.161 2.074 11.894
58 HB2 GLU 12 1HB GLU 12 3.773 3.333 11.038
59 HB3 GLU 12 2HB GLU 12 2.755 3.928 12.341
60 HG2 GLU 12 1HG GLU 12 3.957 1.173 12.282
61 HG3 GLU 12 2HG GLU 12 4.704 2.561 13.071
62 H TYR 13 H TYR 13 1.998 2.750 8.625
63 HA TYR 13 HA TYR 13 0.392 5.205 8.623
64 HB2 TYR 13 1HB TYR 13 2.076 4.090 6.374
65 HB3 TYR 13 2HB TYR 13 1.378 5.703 6.482
66 HD1 TYR 13 1HD TYR 13 2.371 7.396 7.922
67 HD2 TYR 13 2HD TYR 13 4.070 3.506 7.627
68 HE1 TYR 13 1HE TYR 13 4.431 8.222 8.982
69 HE2 TYR 13 2HE TYR 13 6.134 4.321 8.687
70 HH TYR 13 HH TYR 13 7.158 6.043 9.641
71 H PHE 14 H PHE 14 -0.471 2.248 8.644
72 HA PHE 14 HA PHE 14 -2.583 2.602 6.669
73 HB2 PHE 14 1HB PHE 14 -0.797 0.161 6.748
74 HB3 PHE 14 2HB PHE 14 -2.290 0.279 5.824
75 HD1 PHE 14 1HD PHE 14 1.162 1.498 6.121
76 HD2 PHE 14 2HD PHE 14 -2.385 1.481 3.768
77 HE1 PHE 14 1HE PHE 14 2.413 2.462 4.234
78 HE2 PHE 14 2HE PHE 14 -1.140 2.444 1.878
79 HZ PHE 14 HZ PHE 14 1.262 2.935 2.108
80 H HIS 15 H HIS 15 -4.405 1.171 7.008
81 HA HIS 15 HA HIS 15 -4.460 -0.265 9.549
82 HB2 HIS 15 1HB HIS 15 -6.078 0.996 10.566
83 HB3 HIS 15 2HB HIS 15 -5.289 2.266 9.635
84 HD1 HIS 15 1HD HIS 15 -8.173 -0.169 9.102
85 HD2 HIS 15 2HD HIS 15 -7.061 3.739 8.234
86 HE1 HIS 15 1HE HIS 15 -10.143 0.843 7.909
87 H LEU 16 H LEU 16 -5.437 -2.160 9.298
88 HA LEU 16 HA LEU 16 -6.582 -2.966 6.858
89 HB2 LEU 16 1HB LEU 16 -6.809 -4.223 9.589
90 HB3 LEU 16 2HB LEU 16 -7.240 -5.005 8.069
91 HG LEU 16 HG LEU 16 -4.454 -4.070 8.745
92 HD11 LEU 16 1HD1 LEU 16 -4.057 -6.571 8.998
93 HD12 LEU 16 2HD1 LEU 16 -5.805 -6.717 9.171
94 HD13 LEU 16 3HD1 LEU 16 -4.883 -5.750 10.323
95 HD21 LEU 16 1HD2 LEU 16 -3.759 -5.125 6.812
96 HD22 LEU 16 2HD2 LEU 16 -5.301 -4.429 6.315
97 HD23 LEU 16 3HD2 LEU 16 -5.197 -6.142 6.723
98 H ALA 17 H ALA 17 -8.743 -3.578 6.374
99 HA ALA 17 HA ALA 17 -10.710 -1.827 7.624
100 HB1 ALA 17 1HB ALA 17 -10.447 -1.939 5.142
101 HB2 ALA 17 2HB ALA 17 -11.070 -3.588 5.207
102 HB3 ALA 17 3HB ALA 17 -12.087 -2.241 5.718
103 HA PRO 18 HA PRO 18 -12.675 -4.979 9.977
104 HB2 PRO 18 1HB PRO 18 -15.206 -3.998 10.054
105 HB3 PRO 18 2HB PRO 18 -13.873 -3.292 10.975
106 HG2 PRO 18 1HG PRO 18 -15.052 -2.408 8.369
107 HG3 PRO 18 2HG PRO 18 -14.561 -1.430 9.764
108 HD2 PRO 18 1HD PRO 18 -13.020 -1.692 7.553
109 HD3 PRO 18 2HD PRO 18 -12.333 -1.484 9.176
110 H ALA 19 H ALA 19 -14.208 -6.692 9.855
111 HA ALA 19 HA ALA 19 -15.861 -7.040 7.537
112 HB1 ALA 19 1HB ALA 19 -13.191 -7.855 7.295
113 HB2 ALA 19 2HB ALA 19 -14.131 -9.330 7.522
114 HB3 ALA 19 3HB ALA 19 -14.532 -8.223 6.210
115 H ARG 20 H ARG 20 -17.609 -8.032 8.277
116 HA ARG 20 HA ARG 20 -17.438 -9.634 10.707
117 HB2 ARG 20 1HB ARG 20 -19.620 -8.243 9.230
118 HB3 ARG 20 2HB ARG 20 -20.053 -9.638 10.209
119 HG2 ARG 20 1HG ARG 20 -18.601 -8.352 12.014
120 HG3 ARG 20 2HG ARG 20 -19.080 -6.965 11.034
121 HD2 ARG 20 1HD ARG 20 -21.351 -7.308 11.448
122 HD3 ARG 20 2HD ARG 20 -21.100 -8.977 11.957
123 HE ARG 20 HE ARG 20 -20.537 -8.231 14.069
124 HH11 ARG 20 2HH1 ARG 20 -20.831 -5.544 11.875
125 HH12 ARG 20 1HH1 ARG 20 -20.804 -4.349 13.129
126 HH21 ARG 20 2HH2 ARG 20 -20.499 -6.667 15.729
127 HH22 ARG 20 1HH2 ARG 20 -20.614 -4.989 15.321
128 H ALA 21 H ALA 21 -18.667 -9.932 7.385
129 HA ALA 21 HA ALA 21 -18.126 -12.795 7.477
130 HB1 ALA 21 1HB ALA 21 -20.236 -13.536 7.320
131 HB2 ALA 21 2HB ALA 21 -20.664 -11.969 8.008
132 HB3 ALA 21 3HB ALA 21 -20.727 -12.212 6.263
133 H GLY 22 H GLY 22 -17.881 -13.760 5.423
134 HA2 GLY 22 1HA GLY 22 -18.107 -13.566 2.992
135 HA3 GLY 22 2HA GLY 22 -17.789 -11.847 3.173
136 H HIS 23 H HIS 23 -15.606 -11.597 4.606
137 HA HIS 23 HA HIS 23 -13.563 -13.482 3.821
138 HB2 HIS 23 1HB HIS 23 -12.213 -11.563 2.748
139 HB3 HIS 23 2HB HIS 23 -13.488 -12.311 1.791
140 HD1 HIS 23 1HD HIS 23 -14.172 -10.371 0.361
141 HD2 HIS 23 2HD HIS 23 -14.083 -9.417 4.403
142 HE1 HIS 23 1HE HIS 23 -15.180 -8.073 0.531
143 H HIS 24 H HIS 24 -11.479 -13.002 4.779
144 HA HIS 24 HA HIS 24 -11.669 -12.127 7.435
145 HB2 HIS 24 1HB HIS 24 -9.220 -12.318 7.486
146 HB3 HIS 24 2HB HIS 24 -9.952 -13.704 6.683
147 HD1 HIS 24 1HD HIS 24 -7.097 -13.316 6.049
148 HD2 HIS 24 2HD HIS 24 -10.082 -11.337 3.944
149 HE1 HIS 24 1HE HIS 24 -6.062 -12.688 3.845
150 HA PRO 25 HA PRO 25 -11.193 -7.767 7.267
151 HB2 PRO 25 1HB PRO 25 -9.818 -7.307 9.563
152 HB3 PRO 25 2HB PRO 25 -11.525 -7.767 9.541
153 HG2 PRO 25 1HG PRO 25 -9.111 -9.469 10.025
154 HG3 PRO 25 2HG PRO 25 -10.665 -9.463 10.878
155 HD2 PRO 25 1HD PRO 25 -10.046 -11.303 8.991
156 HD3 PRO 25 2HD PRO 25 -11.704 -10.726 9.254
157 H ASN 26 H ASN 26 -8.692 -9.825 6.694
158 HA ASN 26 HA ASN 26 -6.649 -7.724 6.578
159 HB2 ASN 26 1HB ASN 26 -6.197 -9.996 7.661
160 HB3 ASN 26 2HB ASN 26 -6.220 -10.658 6.029
161 HD21 ASN 26 1HD2 ASN 26 -4.817 -7.844 7.682
162 HD22 ASN 26 2HD2 ASN 26 -3.234 -8.031 7.014
163 H GLN 27 H GLN 27 -8.881 -7.817 4.720
164 HA GLN 27 HA GLN 27 -8.063 -8.904 2.234
165 HB2 GLN 27 1HB GLN 27 -10.418 -8.206 2.962
166 HB3 GLN 27 2HB GLN 27 -9.931 -6.564 2.562
167 HG2 GLN 27 1HG GLN 27 -11.105 -7.452 0.700
168 HG3 GLN 27 2HG GLN 27 -9.400 -7.351 0.263
169 HE21 GLN 27 1HE2 GLN 27 -11.077 -8.937 -1.171
170 HE22 GLN 27 2HE2 GLN 27 -10.715 -10.601 -0.879
171 H TYR 28 H TYR 28 -8.456 -5.447 3.003
172 HA TYR 28 HA TYR 28 -5.991 -4.922 1.478
173 HB2 TYR 28 1HB TYR 28 -8.699 -3.725 1.214
174 HB3 TYR 28 2HB TYR 28 -7.325 -2.638 1.052
175 HD1 TYR 28 2HD TYR 28 -7.822 -6.169 -0.058
176 HD2 TYR 28 1HD TYR 28 -7.087 -2.136 -1.195
177 HE1 TYR 28 2HE TYR 28 -7.538 -6.886 -2.394
178 HE2 TYR 28 1HE TYR 28 -6.801 -2.841 -3.534
179 HH TYR 28 HH TYR 28 -6.197 -4.907 -4.774
180 H ALA 29 H ALA 29 -5.068 -2.725 1.967
181 HA ALA 29 HA ALA 29 -5.379 -2.134 4.839
182 HB1 ALA 29 1HB ALA 29 -3.213 -3.126 4.319
183 HB2 ALA 29 2HB ALA 29 -2.907 -1.857 3.133
184 HB3 ALA 29 3HB ALA 29 -3.032 -1.453 4.845
185 H THR 30 H THR 30 -5.980 -0.141 5.390
186 HA THR 30 HA THR 30 -6.278 1.858 3.287
187 HB THR 30 HB THR 30 -7.209 2.041 6.156
188 HG1 THR 30 1HG THR 30 -8.607 0.570 5.557
189 HG21 THR 30 1HG2 THR 30 -7.052 4.163 4.856
190 HG22 THR 30 2HG2 THR 30 -8.696 3.755 5.347
191 HG23 THR 30 3HG2 THR 30 -8.178 3.479 3.685
192 H CYS 31 H CYS 31 -4.675 3.242 2.949
193 HA CYS 31 HA CYS 31 -2.526 3.662 4.722
194 HB2 CYS 31 1HB CYS 31 -2.634 4.033 2.171
195 HB3 CYS 31 2HB CYS 31 -3.314 5.608 2.565
196 H ARG 32 H ARG 32 -2.559 4.728 6.577
197 HA ARG 32 HA ARG 32 -4.665 6.562 7.238
198 HB2 ARG 32 1HB ARG 32 -2.134 5.915 8.762
199 HB3 ARG 32 2HB ARG 32 -3.544 6.751 9.400
200 HG2 ARG 32 1HG ARG 32 -4.865 4.667 8.874
201 HG3 ARG 32 2HG ARG 32 -3.318 3.874 8.573
202 HD2 ARG 32 1HD ARG 32 -4.004 3.424 10.835
203 HD3 ARG 32 2HD ARG 32 -2.605 4.497 10.861
204 HE ARG 32 HE ARG 32 -4.612 6.248 10.997
205 HH11 ARG 32 2HH1 ARG 32 -4.042 3.283 12.729
206 HH12 ARG 32 1HH1 ARG 32 -4.868 3.807 14.159
207 HH21 ARG 32 2HH2 ARG 32 -5.702 6.950 12.873
208 HH22 ARG 32 1HH2 ARG 32 -5.813 5.893 14.239
209 H LEU 33 H LEU 33 -1.902 6.902 5.461
210 HA LEU 33 HA LEU 33 -1.187 9.556 6.390
211 HB2 LEU 33 1HB LEU 33 -0.127 7.650 4.361
212 HB3 LEU 33 2HB LEU 33 0.274 9.360 4.212
213 HG LEU 33 HG LEU 33 0.880 7.637 6.615
214 HD11 LEU 33 1HD1 LEU 33 3.058 8.743 4.981
215 HD12 LEU 33 2HD1 LEU 33 2.119 7.459 4.219
216 HD13 LEU 33 3HD1 LEU 33 2.909 7.173 5.770
217 HD21 LEU 33 1HD2 LEU 33 2.452 9.996 6.439
218 HD22 LEU 33 2HD2 LEU 33 1.300 9.529 7.691
219 HD23 LEU 33 3HD2 LEU 33 0.754 10.451 6.289
220 H CYS 34 H CYS 34 -2.354 8.131 3.336
221 HA CYS 34 HA CYS 34 -3.371 10.785 2.577
222 HB2 CYS 34 1HB CYS 34 -3.389 9.944 0.269
223 HB3 CYS 34 2HB CYS 34 -1.786 9.808 0.985
224 H GLY 35 H GLY 35 -4.239 7.361 2.785
225 HA2 GLY 35 1HA GLY 35 -6.429 6.763 3.624
226 HA3 GLY 35 2HA GLY 35 -7.070 8.187 2.817
227 H ARG 36 H ARG 36 -4.771 6.056 1.277
228 HA ARG 36 HA ARG 36 -6.828 5.361 -0.692
229 HB2 ARG 36 1HB ARG 36 -3.853 5.590 -0.763
230 HB3 ARG 36 2HB ARG 36 -4.632 4.482 -1.884
231 HG2 ARG 36 1HG ARG 36 -6.148 6.607 -2.343
232 HG3 ARG 36 2HG ARG 36 -4.697 7.441 -1.783
233 HD2 ARG 36 1HD ARG 36 -4.352 7.290 -4.071
234 HD3 ARG 36 2HD ARG 36 -3.455 5.905 -3.448
235 HE ARG 36 HE ARG 36 -5.831 4.808 -3.990
236 HH11 ARG 36 2HH1 ARG 36 -3.791 6.920 -5.860
237 HH12 ARG 36 1HH1 ARG 36 -4.311 6.286 -7.386
238 HH21 ARG 36 2HH2 ARG 36 -6.524 3.965 -5.993
239 HH22 ARG 36 1HH2 ARG 36 -5.866 4.606 -7.461
240 H GLN 37 H GLN 37 -6.869 3.175 -1.565
241 HA GLN 37 HA GLN 37 -6.561 1.213 0.563
242 HB2 GLN 37 1HB GLN 37 -7.795 0.852 -2.170
243 HB3 GLN 37 2HB GLN 37 -7.950 -0.229 -0.791
244 HG2 GLN 37 1HG GLN 37 -8.884 2.607 -0.628
245 HG3 GLN 37 2HG GLN 37 -9.891 1.357 -1.357
246 HE21 GLN 37 1HE2 GLN 37 -8.417 2.509 1.575
247 HE22 GLN 37 2HE2 GLN 37 -9.348 1.541 2.662
248 H VAL 38 H VAL 38 -4.907 -0.146 0.676
249 HA VAL 38 HA VAL 38 -3.497 -0.891 -1.791
250 HB VAL 38 HB VAL 38 -2.137 -0.058 0.775
251 HG11 VAL 38 1HG1 VAL 38 -0.661 -1.612 0.019
252 HG12 VAL 38 2HG1 VAL 38 -1.200 -1.473 -1.655
253 HG13 VAL 38 3HG1 VAL 38 -0.134 -0.248 -0.966
254 HG21 VAL 38 1HG2 VAL 38 -1.515 1.912 -0.235
255 HG22 VAL 38 2HG2 VAL 38 -1.708 1.266 -1.864
256 HG23 VAL 38 3HG2 VAL 38 -3.129 1.685 -0.909
257 H SER 39 H SER 39 -3.431 -3.022 -1.989
258 HA SER 39 HA SER 39 -3.683 -4.674 0.431
259 HB2 SER 39 1HB SER 39 -5.399 -4.853 -1.457
260 HB3 SER 39 2HB SER 39 -4.120 -5.611 -2.405
261 HG SER 39 HG SER 39 -5.289 -6.521 0.007
262 H ARG 40 H ARG 40 -2.078 -5.984 1.039
263 HA ARG 40 HA ARG 40 0.484 -5.802 -0.071
264 HB2 ARG 40 1HB ARG 40 -0.826 -7.494 1.985
265 HB3 ARG 40 2HB ARG 40 0.680 -8.099 1.310
266 HG2 ARG 40 1HG ARG 40 1.859 -6.139 2.009
267 HG3 ARG 40 2HG ARG 40 0.357 -5.361 2.512
268 HD2 ARG 40 1HD ARG 40 1.609 -6.253 4.422
269 HD3 ARG 40 2HD ARG 40 0.040 -7.038 4.239
270 HE ARG 40 HE ARG 40 2.658 -8.239 3.826
271 HH11 ARG 40 2HH1 ARG 40 -0.802 -8.517 3.563
272 HH12 ARG 40 1HH1 ARG 40 -0.785 -10.245 3.440
273 HH21 ARG 40 2HH2 ARG 40 2.694 -10.514 3.665
274 HH22 ARG 40 1HH2 ARG 40 1.204 -11.380 3.499
275 H GLY 41 H GLY 41 -1.578 -8.720 -0.003
276 HA2 GLY 41 1HA GLY 41 -1.806 -9.479 -2.530
277 HA3 GLY 41 2HA GLY 41 -0.092 -9.779 -2.283
278 HA PRO 42 HA PRO 42 -2.861 -13.373 -0.824
279 HB2 PRO 42 1HB PRO 42 -2.441 -15.071 -2.900
280 HB3 PRO 42 2HB PRO 42 -3.780 -13.918 -2.858
281 HG2 PRO 42 1HG PRO 42 -1.140 -13.706 -4.255
282 HG3 PRO 42 2HG PRO 42 -2.757 -13.279 -4.847
283 HD2 PRO 42 1HD PRO 42 -1.009 -11.430 -3.922
284 HD3 PRO 42 2HD PRO 42 -2.766 -11.258 -3.738
285 H GLY 43 H GLY 43 0.306 -12.630 -1.560
286 HA2 GLY 43 1HA GLY 43 1.392 -14.495 0.249
287 HA3 GLY 43 2HA GLY 43 1.644 -15.085 -1.387
288 H VAL 44 H VAL 44 2.068 -12.143 0.572
289 HA VAL 44 HA VAL 44 4.303 -11.335 -1.118
290 HB VAL 44 HB VAL 44 2.992 -9.934 1.215
291 HG11 VAL 44 1HG1 VAL 44 4.533 -8.296 1.127
292 HG12 VAL 44 2HG1 VAL 44 5.553 -9.551 0.419
293 HG13 VAL 44 3HG1 VAL 44 4.704 -8.409 -0.625
294 HG21 VAL 44 1HG2 VAL 44 1.991 -10.262 -1.285
295 HG22 VAL 44 2HG2 VAL 44 1.641 -8.882 -0.245
296 HG23 VAL 44 3HG2 VAL 44 2.897 -8.761 -1.476
297 H ASN 45 H ASN 45 6.308 -11.926 -0.655
298 HA ASN 45 HA ASN 45 7.096 -13.407 1.548
299 HB2 ASN 45 1HB ASN 45 8.583 -11.769 -0.473
300 HB3 ASN 45 2HB ASN 45 9.456 -12.456 0.893
301 HD21 ASN 45 1HD2 ASN 45 7.104 -13.400 -1.586
302 HD22 ASN 45 2HD2 ASN 45 7.792 -14.955 -1.890
303 H VAL 46 H VAL 46 8.581 -12.841 3.292
304 HA VAL 46 HA VAL 46 7.691 -10.480 4.675
305 HB VAL 46 HB VAL 46 9.754 -12.540 5.468
306 HG11 VAL 46 1HG1 VAL 46 9.184 -9.993 6.575
307 HG12 VAL 46 2HG1 VAL 46 8.581 -11.219 7.693
308 HG13 VAL 46 3HG1 VAL 46 10.271 -11.238 7.188
309 HG21 VAL 46 1HG2 VAL 46 7.999 -13.452 6.890
310 HG22 VAL 46 2HG2 VAL 46 6.869 -12.233 6.302
311 HG23 VAL 46 3HG2 VAL 46 7.495 -13.459 5.200
312 H GLY 47 H GLY 47 8.500 -8.792 3.350
313 HA2 GLY 47 1HA GLY 47 11.153 -7.955 4.081
314 HA3 GLY 47 2HA GLY 47 11.014 -8.378 2.381
315 H THR 48 H THR 48 10.497 -6.788 1.042
316 HA THR 48 HA THR 48 9.900 -4.179 2.010
317 HB THR 48 HB THR 48 9.725 -5.202 -0.831
318 HG1 THR 48 1HG THR 48 11.822 -5.396 -0.506
319 HG21 THR 48 1HG2 THR 48 9.069 -3.144 -1.372
320 HG22 THR 48 2HG2 THR 48 10.531 -2.485 -0.640
321 HG23 THR 48 3HG2 THR 48 9.073 -2.688 0.330
322 H THR 49 H THR 49 7.948 -4.771 3.236
323 HA THR 49 HA THR 49 5.591 -5.768 2.293
324 HB THR 49 HB THR 49 5.515 -3.308 4.011
325 HG1 THR 49 1HG THR 49 7.178 -4.410 4.957
326 HG21 THR 49 1HG2 THR 49 3.382 -4.071 3.975
327 HG22 THR 49 2HG2 THR 49 3.983 -5.170 5.217
328 HG23 THR 49 3HG2 THR 49 3.863 -5.711 3.543
329 H ALA 50 H ALA 50 4.184 -5.228 0.762
330 HA ALA 50 HA ALA 50 4.432 -3.412 -1.185
331 HB1 ALA 50 1HB ALA 50 1.840 -3.308 -1.187
332 HB2 ALA 50 2HB ALA 50 2.644 -4.855 -1.455
333 HB3 ALA 50 3HB ALA 50 1.965 -4.477 0.128
334 H LEU 51 H LEU 51 3.139 -2.733 2.024
335 HA LEU 51 HA LEU 51 2.114 -0.196 1.651
336 HB2 LEU 51 1HB LEU 51 3.705 -1.058 4.057
337 HB3 LEU 51 2HB LEU 51 2.442 0.169 3.993
338 HG LEU 51 HG LEU 51 1.946 -2.763 3.504
339 HD11 LEU 51 1HD1 LEU 51 2.733 -1.741 5.895
340 HD12 LEU 51 2HD1 LEU 51 1.692 -3.150 5.696
341 HD13 LEU 51 3HD1 LEU 51 0.981 -1.564 5.997
342 HD21 LEU 51 1HD2 LEU 51 0.390 -0.432 3.104
343 HD22 LEU 51 2HD2 LEU 51 -0.292 -1.302 4.479
344 HD23 LEU 51 3HD2 LEU 51 -0.095 -2.119 2.927
345 H TRP 52 H TRP 52 5.441 -1.017 2.640
346 HA TRP 52 HA TRP 52 6.530 1.498 2.748
347 HB2 TRP 52 1HB TRP 52 7.716 -1.132 1.887
348 HB3 TRP 52 2HB TRP 52 8.687 0.336 1.955
349 HD1 TRP 52 HD TRP 52 7.408 -2.435 4.097
350 HE1 TRP 52 1HE TRP 52 8.050 -2.019 6.554
351 HE3 TRP 52 3HE TRP 52 8.968 2.419 3.718
352 HZ2 TRP 52 2HZ TRP 52 9.081 0.088 8.124
353 HZ3 TRP 52 3HZ TRP 52 9.767 3.562 5.745
354 HH2 TRP 52 HH TRP 52 9.821 2.419 7.901
355 H LYS 53 H LYS 53 6.401 -0.603 -0.128
356 HA LYS 53 HA LYS 53 7.612 0.998 -1.982
357 HB2 LYS 53 1HB LYS 53 5.119 -0.657 -2.422
358 HB3 LYS 53 2HB LYS 53 6.210 -0.093 -3.681
359 HG2 LYS 53 1HG LYS 53 8.029 -1.402 -2.550
360 HG3 LYS 53 2HG LYS 53 6.780 -2.101 -1.517
361 HD2 LYS 53 1HD LYS 53 7.014 -3.662 -3.235
362 HD3 LYS 53 2HD LYS 53 5.602 -2.720 -3.720
363 HE2 LYS 53 1HE LYS 53 6.844 -2.858 -5.678
364 HE3 LYS 53 2HE LYS 53 7.293 -1.281 -5.031
365 HZ1 LYS 53 1HZ LYS 53 8.910 -3.634 -4.335
366 HZ2 LYS 53 2HZ LYS 53 9.372 -2.011 -4.448
367 HZ3 LYS 53 3HZ LYS 53 9.112 -2.916 -5.854
368 H HIS 54 H HIS 54 4.249 1.182 -0.884
369 HA HIS 54 HA HIS 54 3.512 3.291 -2.642
370 HB2 HIS 54 1HB HIS 54 1.820 1.839 -1.674
371 HB3 HIS 54 2HB HIS 54 2.265 2.356 -0.050
372 HD1 HIS 54 1HD HIS 54 0.882 3.890 -3.243
373 HD2 HIS 54 2HD HIS 54 0.780 4.424 0.876
374 HE1 HIS 54 1HE HIS 54 -0.762 5.751 -2.847
375 H LEU 55 H LEU 55 4.774 3.164 0.640
376 HA LEU 55 HA LEU 55 4.382 5.887 1.279
377 HB2 LEU 55 1HB LEU 55 6.348 3.854 2.311
378 HB3 LEU 55 2HB LEU 55 6.168 5.470 2.991
379 HG LEU 55 HG LEU 55 3.897 3.498 2.867
380 HD11 LEU 55 1HD1 LEU 55 5.454 2.358 4.186
381 HD12 LEU 55 2HD1 LEU 55 4.441 3.217 5.346
382 HD13 LEU 55 3HD1 LEU 55 6.040 3.842 4.939
383 HD21 LEU 55 1HD2 LEU 55 3.807 6.143 3.301
384 HD22 LEU 55 2HD2 LEU 55 4.127 5.587 4.944
385 HD23 LEU 55 3HD2 LEU 55 2.710 4.998 4.073
386 H LYS 56 H LYS 56 7.176 4.135 -0.036
387 HA LYS 56 HA LYS 56 8.771 6.510 -0.270
388 HB2 LYS 56 1HB LYS 56 9.206 3.816 -1.568
389 HB3 LYS 56 2HB LYS 56 10.406 5.083 -1.348
390 HG2 LYS 56 1HG LYS 56 10.699 4.619 0.861
391 HG3 LYS 56 2HG LYS 56 9.051 4.024 1.070
392 HD2 LYS 56 1HD LYS 56 9.580 1.953 0.024
393 HD3 LYS 56 2HD LYS 56 11.148 2.556 -0.519
394 HE2 LYS 56 1HE LYS 56 11.733 2.839 1.927
395 HE3 LYS 56 2HE LYS 56 10.273 1.921 2.290
396 HZ1 LYS 56 1HZ LYS 56 12.076 0.729 0.350
397 HZ2 LYS 56 2HZ LYS 56 11.199 0.005 1.602
398 HZ3 LYS 56 3HZ LYS 56 12.653 0.802 1.939
399 H SER 57 H SER 57 6.223 5.258 -2.038
400 HA SER 57 HA SER 57 7.134 6.133 -4.642
401 HB2 SER 57 1HB SER 57 5.660 4.166 -4.434
402 HB3 SER 57 2HB SER 57 4.397 5.189 -3.749
403 HG SER 57 HG SER 57 5.235 6.266 -6.042
404 H MET 58 H MET 58 4.793 7.186 -2.201
405 HA MET 58 HA MET 58 4.668 9.792 -3.572
406 HB2 MET 58 1HB MET 58 2.381 10.049 -2.762
407 HB3 MET 58 2HB MET 58 2.530 8.595 -3.740
408 HG2 MET 58 1HG MET 58 2.319 7.188 -1.916
409 HG3 MET 58 2HG MET 58 2.776 8.445 -0.768
410 HE1 MET 58 1HE MET 58 -0.287 7.609 -3.402
411 HE2 MET 58 2HE MET 58 -1.093 9.144 -3.079
412 HE3 MET 58 3HE MET 58 0.559 9.128 -3.697
413 H HIS 59 H HIS 59 4.734 8.071 -0.506
414 HA HIS 59 HA HIS 59 4.964 10.560 0.990
415 HB2 HIS 59 1HB HIS 59 4.995 7.694 1.960
416 HB3 HIS 59 2HB HIS 59 4.928 9.127 2.982
417 HD1 HIS 59 1HD HIS 59 2.705 10.718 2.329
418 HD2 HIS 59 2HD HIS 59 2.551 6.645 1.523
419 HE1 HIS 59 1HE HIS 59 0.261 10.168 2.111
420 H ARG 60 H ARG 60 7.050 9.548 -0.918
421 HA ARG 60 HA ARG 60 9.290 8.533 0.341
422 HB2 ARG 60 1HB ARG 60 9.295 8.754 -2.032
423 HB3 ARG 60 2HB ARG 60 9.038 10.491 -1.938
424 HG2 ARG 60 1HG ARG 60 11.273 10.740 -0.933
425 HG3 ARG 60 2HG ARG 60 11.525 9.004 -1.123
426 HD2 ARG 60 1HD ARG 60 12.582 10.098 -2.961
427 HD3 ARG 60 2HD ARG 60 11.137 9.295 -3.572
428 HE ARG 60 HE ARG 60 10.198 11.358 -4.015
429 HH11 ARG 60 2HH1 ARG 60 13.155 11.735 -2.216
430 HH12 ARG 60 1HH1 ARG 60 13.249 13.445 -2.478
431 HH21 ARG 60 2HH2 ARG 60 10.311 13.609 -4.367
432 HH22 ARG 60 1HH2 ARG 60 11.631 14.510 -3.701
433 H GLU 61 H GLU 61 8.107 11.851 0.242
434 HA GLU 61 HA GLU 61 10.390 13.011 1.481
435 HB2 GLU 61 1HB GLU 61 7.570 13.941 1.015
436 HB3 GLU 61 2HB GLU 61 8.695 14.901 1.965
437 HG2 GLU 61 1HG GLU 61 9.975 15.448 0.165
438 HG3 GLU 61 2HG GLU 61 9.580 13.968 -0.707
439 H GLU 62 H GLU 62 7.286 11.817 2.678
440 HA GLU 62 HA GLU 62 7.527 12.685 5.331
441 HB2 GLU 62 1HB GLU 62 5.403 11.919 4.578
442 HB3 GLU 62 2HB GLU 62 6.058 10.359 4.100
443 HG2 GLU 62 1HG GLU 62 5.028 9.792 6.048
444 HG3 GLU 62 2HG GLU 62 6.641 10.172 6.646
445 H LEU 63 H LEU 63 8.510 9.641 3.797
446 HA LEU 63 HA LEU 63 9.465 8.395 6.137
447 HB2 LEU 63 1HB LEU 63 10.393 7.971 3.301
448 HB3 LEU 63 2HB LEU 63 10.606 6.858 4.651
449 HG LEU 63 HG LEU 63 7.956 7.629 3.430
450 HD11 LEU 63 1HD1 LEU 63 8.000 5.731 2.170
451 HD12 LEU 63 2HD1 LEU 63 9.096 4.891 3.267
452 HD13 LEU 63 3HD1 LEU 63 9.720 6.122 2.168
453 HD21 LEU 63 1HD2 LEU 63 7.354 7.025 5.547
454 HD22 LEU 63 2HD2 LEU 63 8.762 5.987 5.774
455 HD23 LEU 63 3HD2 LEU 63 7.406 5.432 4.791
456 H GLU 64 H GLU 64 11.247 10.055 3.531
457 HA GLU 64 HA GLU 64 13.797 9.887 4.534
458 HB2 GLU 64 1HB GLU 64 12.428 12.052 2.956
459 HB3 GLU 64 2HB GLU 64 14.124 12.181 3.403
460 HG2 GLU 64 1HG GLU 64 14.454 9.937 2.290
461 HG3 GLU 64 2HG GLU 64 12.826 10.129 1.640
462 H LYS 65 H LYS 65 11.315 12.285 5.335
463 HA LYS 65 HA LYS 65 12.927 13.837 7.062
464 HB2 LYS 65 1HB LYS 65 10.783 14.601 6.053
465 HB3 LYS 65 2HB LYS 65 9.923 13.501 7.122
466 HG2 LYS 65 1HG LYS 65 10.682 14.715 9.059
467 HG3 LYS 65 2HG LYS 65 11.684 15.760 8.049
468 HD2 LYS 65 1HD LYS 65 9.747 17.016 8.496
469 HD3 LYS 65 2HD LYS 65 9.526 16.403 6.856
470 HE2 LYS 65 1HE LYS 65 8.218 14.502 7.869
471 HE3 LYS 65 2HE LYS 65 8.277 15.378 9.398
472 HZ1 LYS 65 1HZ LYS 65 7.301 17.300 8.026
473 HZ2 LYS 65 2HZ LYS 65 6.275 16.036 8.486
474 HZ3 LYS 65 3HZ LYS 65 6.879 16.104 6.907
475 H SER 66 H SER 66 10.683 11.157 7.655
476 HA SER 66 HA SER 66 10.876 11.180 10.465
477 HB2 SER 66 1HB SER 66 10.222 8.907 8.575
478 HB3 SER 66 2HB SER 66 9.995 8.853 10.323
479 HG SER 66 HG SER 66 8.510 10.135 8.382
480 H GLY 67 H GLY 67 11.724 9.104 11.634
481 HA2 GLY 67 1HA GLY 67 14.553 9.141 11.400
482 HA3 GLY 67 2HA GLY 67 13.616 8.073 12.435
483 H HIS 68 H HIS 68 12.108 6.744 10.486
484 HA HIS 68 HA HIS 68 13.479 4.535 9.872
485 HB2 HIS 68 1HB HIS 68 11.555 5.846 7.940
486 HB3 HIS 68 2HB HIS 68 11.968 4.135 7.997
487 HD1 HIS 68 1HD HIS 68 11.691 3.640 11.021
488 HD2 HIS 68 2HD HIS 68 8.956 5.787 8.746
489 HE1 HIS 68 1HE HIS 68 9.524 3.528 12.292
490 H GLY 69 H GLY 69 14.724 3.704 8.159
491 HA2 GLY 69 1HA GLY 69 15.535 5.158 5.896
492 HA3 GLY 69 2HA GLY 69 16.720 5.413 7.169
493 H GLN 70 H GLN 70 16.559 2.837 8.355
494 HA GLN 70 HA GLN 70 17.882 1.265 6.252
495 HB2 GLN 70 1HB GLN 70 18.920 0.039 8.202
496 HB3 GLN 70 2HB GLN 70 19.410 1.717 8.012
497 HG2 GLN 70 1HG GLN 70 17.127 1.105 9.811
498 HG3 GLN 70 2HG GLN 70 18.760 0.728 10.357
499 HE21 GLN 70 1HE2 GLN 70 20.330 2.499 10.286
500 HE22 GLN 70 2HE2 GLN 70 19.781 4.105 10.607
501 H SER 71 H SER 71 15.734 0.568 5.536
502 HA SER 71 HA SER 71 14.724 -1.647 7.196
503 HB2 SER 71 1HB SER 71 13.152 0.306 7.082
504 HB3 SER 71 2HB SER 71 13.049 0.057 5.340
505 HG SER 71 HG SER 71 12.189 -1.997 5.736
506 H GLY 72 H GLY 72 16.261 -2.958 5.993
507 HA2 GLY 72 1HA GLY 72 16.986 -4.166 4.139
508 HA3 GLY 72 2HA GLY 72 15.299 -4.658 4.177
509 HA PRO 73 HA PRO 73 15.458 -1.067 0.960
510 HB2 PRO 73 1HB PRO 73 17.890 0.008 0.410
511 HB3 PRO 73 2HB PRO 73 16.833 0.624 1.687
512 HG2 PRO 73 1HG PRO 73 19.191 -1.207 1.900
513 HG3 PRO 73 2HG PRO 73 18.744 0.166 2.929
514 HD2 PRO 73 1HD PRO 73 18.260 -2.403 3.636
515 HD3 PRO 73 2HD PRO 73 17.197 -1.064 4.114
516 H SER 74 H SER 74 16.127 -0.960 -1.325
517 HA SER 74 HA SER 74 17.977 -2.952 -2.296
518 HB2 SER 74 1HB SER 74 16.322 -4.188 -3.623
519 HB3 SER 74 2HB SER 74 15.960 -4.310 -1.902
520 HG SER 74 HG SER 74 14.772 -2.195 -3.231
521 H SER 75 H SER 75 18.529 -2.672 -4.472
522 HA SER 75 HA SER 75 17.656 -0.101 -5.594
523 HB2 SER 75 1HB SER 75 20.105 -0.467 -5.113
524 HB3 SER 75 2HB SER 75 20.100 -1.707 -6.367
525 HG SER 75 HG SER 75 19.091 0.831 -6.981
526 H GLY 76 H GLY 76 15.725 -0.949 -6.515
527 HA2 GLY 76 1HA GLY 76 15.281 -1.301 -9.001
528 HA3 GLY 76 2HA GLY 76 16.153 -2.808 -8.766
Start of MODEL 9
1 H1 GLY 1 H GLY 1 0.162 -5.229 12.383
2 HA2 GLY 1 1HA GLY 1 1.885 -5.774 13.905
3 HA3 GLY 1 2HA GLY 1 0.447 -5.780 14.916
4 H SER 2 H SER 2 2.856 -7.716 13.332
5 HA SER 2 HA SER 2 1.709 -10.152 14.513
6 HB2 SER 2 1HB SER 2 3.657 -9.709 12.254
7 HB3 SER 2 2HB SER 2 3.454 -11.289 13.010
8 HG SER 2 HG SER 2 1.862 -11.481 11.653
9 H SER 3 H SER 3 2.951 -11.504 15.814
10 HA SER 3 HA SER 3 4.818 -10.206 17.506
11 HB2 SER 3 1HB SER 3 3.218 -12.277 17.914
12 HB3 SER 3 2HB SER 3 4.645 -13.189 17.423
13 HG SER 3 HG SER 3 5.635 -12.631 19.215
14 H GLY 4 H GLY 4 6.418 -9.476 15.989
15 HA2 GLY 4 1HA GLY 4 8.623 -11.301 15.783
16 HA3 GLY 4 2HA GLY 4 7.904 -10.944 14.219
17 H SER 5 H SER 5 10.561 -10.318 14.928
18 HA SER 5 HA SER 5 10.476 -7.384 15.156
19 HB2 SER 5 1HB SER 5 11.813 -8.428 16.904
20 HB3 SER 5 2HB SER 5 12.750 -9.310 15.698
21 HG SER 5 HG SER 5 13.667 -7.275 16.575
22 H SER 6 H SER 6 9.962 -7.105 12.935
23 HA SER 6 HA SER 6 12.276 -6.925 11.253
24 HB2 SER 6 1HB SER 6 11.849 -9.215 10.747
25 HB3 SER 6 2HB SER 6 10.113 -8.935 10.617
26 HG SER 6 HG SER 6 11.706 -7.435 8.923
27 H GLY 7 H GLY 7 12.025 -4.931 10.499
28 HA2 GLY 7 1HA GLY 7 10.919 -2.965 9.920
29 HA3 GLY 7 2HA GLY 7 10.360 -4.014 8.625
30 H SER 8 H SER 8 8.250 -4.612 8.542
31 HA SER 8 HA SER 8 6.007 -4.253 8.858
32 HB2 SER 8 1HB SER 8 5.173 -5.171 10.974
33 HB3 SER 8 2HB SER 8 6.469 -6.179 10.329
34 HG SER 8 HG SER 8 7.127 -4.130 12.118
35 H GLU 9 H GLU 9 7.752 -1.909 9.314
36 HA GLU 9 HA GLU 9 6.380 -0.449 11.428
37 HB2 GLU 9 1HB GLU 9 8.937 -0.361 10.749
38 HB3 GLU 9 2HB GLU 9 8.360 0.843 9.606
39 HG2 GLU 9 1HG GLU 9 7.744 2.320 11.263
40 HG3 GLU 9 2HG GLU 9 7.606 1.056 12.484
41 H ALA 10 H ALA 10 6.606 -0.548 7.928
42 HA ALA 10 HA ALA 10 5.417 1.814 7.188
43 HB1 ALA 10 1HB ALA 10 4.538 0.551 5.208
44 HB2 ALA 10 2HB ALA 10 6.264 0.354 5.513
45 HB3 ALA 10 3HB ALA 10 5.137 -0.924 5.969
46 H TRP 11 H TRP 11 3.939 -0.990 8.642
47 HA TRP 11 HA TRP 11 1.271 -0.621 8.023
48 HB2 TRP 11 1HB TRP 11 2.724 -1.808 10.340
49 HB3 TRP 11 2HB TRP 11 0.994 -1.525 10.512
50 HD1 TRP 11 HD TRP 11 3.244 -4.172 9.548
51 HE1 TRP 11 1HE TRP 11 2.080 -5.932 8.073
52 HE3 TRP 11 3HE TRP 11 -0.935 -1.522 8.264
53 HZ2 TRP 11 2HZ TRP 11 -0.294 -6.166 6.565
54 HZ3 TRP 11 3HZ TRP 11 -2.604 -2.586 6.802
55 HH2 TRP 11 HH TRP 11 -2.287 -4.860 5.970
56 H GLU 12 H GLU 12 3.297 1.168 10.229
57 HA GLU 12 HA GLU 12 1.371 2.423 11.799
58 HB2 GLU 12 1HB GLU 12 4.002 3.533 10.805
59 HB3 GLU 12 2HB GLU 12 3.051 4.211 12.119
60 HG2 GLU 12 1HG GLU 12 3.374 2.226 13.441
61 HG3 GLU 12 2HG GLU 12 4.209 1.434 12.106
62 H TYR 13 H TYR 13 2.122 2.836 8.473
63 HA TYR 13 HA TYR 13 0.620 5.358 8.359
64 HB2 TYR 13 1HB TYR 13 2.237 4.067 6.157
65 HB3 TYR 13 2HB TYR 13 1.588 5.703 6.181
66 HD1 TYR 13 2HD TYR 13 4.095 3.464 7.729
67 HD2 TYR 13 1HD TYR 13 2.785 7.476 7.197
68 HE1 TYR 13 2HE TYR 13 6.196 4.275 8.718
69 HE2 TYR 13 1HE TYR 13 4.883 8.299 8.183
70 HH TYR 13 HH TYR 13 7.309 6.060 9.470
71 H PHE 14 H PHE 14 -0.368 2.465 8.580
72 HA PHE 14 HA PHE 14 -2.512 2.780 6.651
73 HB2 PHE 14 1HB PHE 14 -0.759 0.315 6.698
74 HB3 PHE 14 2HB PHE 14 -2.285 0.444 5.829
75 HD1 PHE 14 1HD PHE 14 1.103 1.936 6.075
76 HD2 PHE 14 2HD PHE 14 -2.345 1.294 3.664
77 HE1 PHE 14 1HE PHE 14 2.297 2.855 4.130
78 HE2 PHE 14 2HE PHE 14 -1.157 2.211 1.715
79 HZ PHE 14 HZ PHE 14 1.168 2.992 1.946
80 H HIS 15 H HIS 15 -4.342 1.396 7.092
81 HA HIS 15 HA HIS 15 -4.309 0.087 9.715
82 HB2 HIS 15 1HB HIS 15 -6.001 1.336 10.617
83 HB3 HIS 15 2HB HIS 15 -5.280 2.566 9.582
84 HD1 HIS 15 1HD HIS 15 -7.950 -0.119 9.113
85 HD2 HIS 15 2HD HIS 15 -7.189 3.862 8.197
86 HE1 HIS 15 1HE HIS 15 -9.983 0.685 7.870
87 H LEU 16 H LEU 16 -5.304 -1.829 9.714
88 HA LEU 16 HA LEU 16 -6.389 -2.881 7.300
89 HB2 LEU 16 1HB LEU 16 -6.136 -3.916 10.103
90 HB3 LEU 16 2HB LEU 16 -7.008 -4.823 8.869
91 HG LEU 16 HG LEU 16 -4.104 -4.024 8.693
92 HD11 LEU 16 1HD1 LEU 16 -5.457 -6.309 9.936
93 HD12 LEU 16 2HD1 LEU 16 -3.836 -5.664 10.198
94 HD13 LEU 16 3HD1 LEU 16 -4.149 -6.733 8.830
95 HD21 LEU 16 1HD2 LEU 16 -4.569 -6.133 6.993
96 HD22 LEU 16 2HD2 LEU 16 -4.426 -4.439 6.523
97 HD23 LEU 16 3HD2 LEU 16 -6.018 -5.146 6.806
98 H ALA 17 H ALA 17 -8.500 -3.507 6.832
99 HA ALA 17 HA ALA 17 -10.544 -1.945 8.202
100 HB1 ALA 17 1HB ALA 17 -10.137 -2.273 5.592
101 HB2 ALA 17 2HB ALA 17 -11.235 -3.628 5.864
102 HB3 ALA 17 3HB ALA 17 -11.739 -1.988 6.272
103 HA PRO 18 HA PRO 18 -12.378 -5.284 10.382
104 HB2 PRO 18 1HB PRO 18 -15.008 -4.620 10.266
105 HB3 PRO 18 2HB PRO 18 -13.841 -3.750 11.269
106 HG2 PRO 18 1HG PRO 18 -14.928 -3.033 8.573
107 HG3 PRO 18 2HG PRO 18 -14.661 -1.993 9.984
108 HD2 PRO 18 1HD PRO 18 -12.944 -2.079 7.892
109 HD3 PRO 18 2HD PRO 18 -12.406 -1.779 9.557
110 H ALA 19 H ALA 19 -13.146 -7.303 10.011
111 HA ALA 19 HA ALA 19 -13.578 -8.146 7.326
112 HB1 ALA 19 1HB ALA 19 -14.230 -10.340 8.570
113 HB2 ALA 19 2HB ALA 19 -12.559 -9.775 8.599
114 HB3 ALA 19 3HB ALA 19 -13.607 -9.496 9.989
115 H ARG 20 H ARG 20 -15.395 -7.812 6.235
116 HA ARG 20 HA ARG 20 -17.951 -7.858 7.695
117 HB2 ARG 20 1HB ARG 20 -17.163 -6.495 5.118
118 HB3 ARG 20 2HB ARG 20 -18.825 -6.613 5.679
119 HG2 ARG 20 1HG ARG 20 -16.670 -5.395 7.371
120 HG3 ARG 20 2HG ARG 20 -17.563 -4.459 6.170
121 HD2 ARG 20 1HD ARG 20 -18.791 -4.083 8.091
122 HD3 ARG 20 2HD ARG 20 -19.660 -5.427 7.351
123 HE ARG 20 HE ARG 20 -17.623 -6.175 9.264
124 HH11 ARG 20 2HH1 ARG 20 -20.981 -5.435 8.720
125 HH12 ARG 20 1HH1 ARG 20 -21.529 -6.269 10.136
126 HH21 ARG 20 2HH2 ARG 20 -18.332 -7.277 11.131
127 HH22 ARG 20 1HH2 ARG 20 -20.022 -7.316 11.507
128 H ALA 21 H ALA 21 -16.441 -8.825 4.624
129 HA ALA 21 HA ALA 21 -18.651 -10.586 3.990
130 HB1 ALA 21 1HB ALA 21 -16.339 -10.977 2.322
131 HB2 ALA 21 2HB ALA 21 -17.936 -10.358 1.899
132 HB3 ALA 21 3HB ALA 21 -16.695 -9.259 2.500
133 H GLY 22 H GLY 22 -17.339 -11.221 6.424
134 HA2 GLY 22 1HA GLY 22 -16.768 -13.179 7.507
135 HA3 GLY 22 2HA GLY 22 -16.809 -13.999 5.953
136 H HIS 23 H HIS 23 -14.917 -13.186 4.457
137 HA HIS 23 HA HIS 23 -12.579 -14.251 5.191
138 HB2 HIS 23 1HB HIS 23 -12.596 -11.628 3.703
139 HB3 HIS 23 2HB HIS 23 -11.476 -12.974 3.516
140 HD1 HIS 23 1HD HIS 23 -13.207 -11.692 1.194
141 HD2 HIS 23 2HD HIS 23 -14.079 -15.197 3.246
142 HE1 HIS 23 1HE HIS 23 -14.686 -13.022 -0.345
143 H HIS 24 H HIS 24 -10.832 -13.815 6.437
144 HA HIS 24 HA HIS 24 -10.936 -12.359 8.710
145 HB2 HIS 24 1HB HIS 24 -8.414 -12.244 8.607
146 HB3 HIS 24 2HB HIS 24 -9.102 -13.848 8.376
147 HD1 HIS 24 1HD HIS 24 -6.346 -13.551 7.356
148 HD2 HIS 24 2HD HIS 24 -9.648 -12.535 5.048
149 HE1 HIS 24 1HE HIS 24 -5.553 -13.640 4.971
150 HA PRO 25 HA PRO 25 -10.785 -8.065 7.817
151 HB2 PRO 25 1HB PRO 25 -9.394 -7.131 9.953
152 HB3 PRO 25 2HB PRO 25 -11.061 -7.709 10.070
153 HG2 PRO 25 1HG PRO 25 -8.512 -9.129 10.740
154 HG3 PRO 25 2HG PRO 25 -10.041 -9.092 11.637
155 HD2 PRO 25 1HD PRO 25 -9.329 -11.173 10.058
156 HD3 PRO 25 2HD PRO 25 -11.019 -10.680 10.282
157 H ASN 26 H ASN 26 -8.064 -9.998 7.680
158 HA ASN 26 HA ASN 26 -6.167 -7.853 7.186
159 HB2 ASN 26 1HB ASN 26 -5.948 -10.856 7.266
160 HB3 ASN 26 2HB ASN 26 -4.632 -9.852 6.666
161 HD21 ASN 26 1HD2 ASN 26 -6.573 -10.670 9.448
162 HD22 ASN 26 2HD2 ASN 26 -5.489 -10.037 10.635
163 H GLN 27 H GLN 27 -8.304 -7.779 5.421
164 HA GLN 27 HA GLN 27 -7.585 -9.089 2.958
165 HB2 GLN 27 1HB GLN 27 -9.939 -8.654 3.542
166 HB3 GLN 27 2HB GLN 27 -9.628 -6.924 3.488
167 HG2 GLN 27 1HG GLN 27 -9.553 -6.862 1.216
168 HG3 GLN 27 2HG GLN 27 -8.973 -8.521 1.078
169 HE21 GLN 27 1HE2 GLN 27 -10.411 -10.157 0.855
170 HE22 GLN 27 2HE2 GLN 27 -12.118 -9.931 0.719
171 H TYR 28 H TYR 28 -8.225 -5.632 3.481
172 HA TYR 28 HA TYR 28 -5.841 -5.043 1.851
173 HB2 TYR 28 1HB TYR 28 -8.597 -3.900 1.811
174 HB3 TYR 28 2HB TYR 28 -7.249 -2.832 1.439
175 HD1 TYR 28 2HD TYR 28 -7.703 -6.430 0.592
176 HD2 TYR 28 1HD TYR 28 -7.426 -2.438 -0.852
177 HE1 TYR 28 2HE TYR 28 -7.680 -7.273 -1.718
178 HE2 TYR 28 1HE TYR 28 -7.403 -3.270 -3.166
179 HH TYR 28 HH TYR 28 -8.405 -5.702 -4.256
180 H ALA 29 H ALA 29 -5.171 -2.640 2.192
181 HA ALA 29 HA ALA 29 -5.295 -1.998 5.064
182 HB1 ALA 29 1HB ALA 29 -3.149 -3.066 4.539
183 HB2 ALA 29 2HB ALA 29 -2.835 -1.822 3.328
184 HB3 ALA 29 3HB ALA 29 -2.946 -1.384 5.033
185 H THR 30 H THR 30 -5.990 -0.006 5.450
186 HA THR 30 HA THR 30 -6.228 1.882 3.252
187 HB THR 30 HB THR 30 -7.168 2.193 6.109
188 HG1 THR 30 1HG THR 30 -8.501 0.657 5.459
189 HG21 THR 30 1HG2 THR 30 -8.734 3.585 4.167
190 HG22 THR 30 2HG2 THR 30 -7.037 4.015 3.949
191 HG23 THR 30 3HG2 THR 30 -7.809 4.241 5.518
192 H CYS 31 H CYS 31 -4.691 3.315 2.845
193 HA CYS 31 HA CYS 31 -2.486 3.786 4.537
194 HB2 CYS 31 1HB CYS 31 -2.675 4.101 1.986
195 HB3 CYS 31 2HB CYS 31 -3.361 5.677 2.365
196 H ARG 32 H ARG 32 -2.384 4.961 6.322
197 HA ARG 32 HA ARG 32 -4.509 6.776 7.027
198 HB2 ARG 32 1HB ARG 32 -1.930 6.195 8.495
199 HB3 ARG 32 2HB ARG 32 -3.348 7.001 9.153
200 HG2 ARG 32 1HG ARG 32 -4.613 5.017 9.135
201 HG3 ARG 32 2HG ARG 32 -3.444 4.191 8.103
202 HD2 ARG 32 1HD ARG 32 -3.298 3.454 10.442
203 HD3 ARG 32 2HD ARG 32 -1.807 4.215 9.891
204 HE ARG 32 HE ARG 32 -3.257 6.228 11.063
205 HH11 ARG 32 2HH1 ARG 32 -2.002 3.137 12.058
206 HH12 ARG 32 1HH1 ARG 32 -1.795 3.607 13.713
207 HH21 ARG 32 2HH2 ARG 32 -2.989 6.859 13.239
208 HH22 ARG 32 1HH2 ARG 32 -2.357 5.724 14.383
209 H LEU 33 H LEU 33 -1.935 7.113 5.060
210 HA LEU 33 HA LEU 33 -1.153 9.781 5.934
211 HB2 LEU 33 1HB LEU 33 -0.172 7.889 3.830
212 HB3 LEU 33 2HB LEU 33 0.297 9.588 3.804
213 HG LEU 33 HG LEU 33 0.900 7.574 5.968
214 HD11 LEU 33 1HD1 LEU 33 3.041 7.505 5.187
215 HD12 LEU 33 2HD1 LEU 33 2.959 9.119 4.484
216 HD13 LEU 33 3HD1 LEU 33 2.184 7.762 3.668
217 HD21 LEU 33 1HD2 LEU 33 0.958 9.325 7.348
218 HD22 LEU 33 2HD2 LEU 33 0.797 10.479 6.024
219 HD23 LEU 33 3HD2 LEU 33 2.387 9.845 6.454
220 H CYS 34 H CYS 34 -2.500 8.235 3.021
221 HA CYS 34 HA CYS 34 -3.583 10.861 2.239
222 HB2 CYS 34 1HB CYS 34 -3.589 10.022 -0.076
223 HB3 CYS 34 2HB CYS 34 -1.971 9.995 0.618
224 H GLY 35 H GLY 35 -4.267 7.418 2.555
225 HA2 GLY 35 1HA GLY 35 -6.433 6.748 3.407
226 HA3 GLY 35 2HA GLY 35 -7.140 8.083 2.511
227 H ARG 36 H ARG 36 -4.696 6.076 1.065
228 HA ARG 36 HA ARG 36 -6.693 5.112 -0.847
229 HB2 ARG 36 1HB ARG 36 -3.766 5.624 -0.945
230 HB3 ARG 36 2HB ARG 36 -4.391 4.330 -1.958
231 HG2 ARG 36 1HG ARG 36 -6.057 6.015 -2.848
232 HG3 ARG 36 2HG ARG 36 -5.091 7.248 -2.033
233 HD2 ARG 36 1HD ARG 36 -3.099 6.248 -3.296
234 HD3 ARG 36 2HD ARG 36 -4.304 5.434 -4.292
235 HE ARG 36 HE ARG 36 -3.601 8.216 -4.353
236 HH11 ARG 36 2HH1 ARG 36 -6.106 5.891 -5.011
237 HH12 ARG 36 1HH1 ARG 36 -6.897 6.882 -6.193
238 HH21 ARG 36 2HH2 ARG 36 -4.632 9.531 -5.906
239 HH22 ARG 36 1HH2 ARG 36 -6.057 8.952 -6.701
240 H GLN 37 H GLN 37 -7.005 2.954 -1.294
241 HA GLN 37 HA GLN 37 -6.292 1.125 0.819
242 HB2 GLN 37 1HB GLN 37 -7.822 0.594 -1.733
243 HB3 GLN 37 2HB GLN 37 -7.744 -0.457 -0.325
244 HG2 GLN 37 1HG GLN 37 -9.841 0.718 -0.354
245 HG3 GLN 37 2HG GLN 37 -8.867 1.271 1.008
246 HE21 GLN 37 1HE2 GLN 37 -9.827 3.244 1.218
247 HE22 GLN 37 2HE2 GLN 37 -9.691 4.501 0.040
248 H VAL 38 H VAL 38 -4.664 -0.283 0.815
249 HA VAL 38 HA VAL 38 -3.432 -1.026 -1.748
250 HB VAL 38 HB VAL 38 -1.904 -0.220 0.731
251 HG11 VAL 38 1HG1 VAL 38 -0.335 -0.500 -1.664
252 HG12 VAL 38 2HG1 VAL 38 -0.125 -1.271 -0.090
253 HG13 VAL 38 3HG1 VAL 38 -1.181 -2.003 -1.299
254 HG21 VAL 38 1HG2 VAL 38 -2.284 1.833 -0.114
255 HG22 VAL 38 2HG2 VAL 38 -1.009 1.390 -1.250
256 HG23 VAL 38 3HG2 VAL 38 -2.702 1.213 -1.712
257 H SER 39 H SER 39 -3.715 -3.147 -1.924
258 HA SER 39 HA SER 39 -3.723 -4.817 0.476
259 HB2 SER 39 1HB SER 39 -4.760 -6.509 -0.858
260 HB3 SER 39 2HB SER 39 -5.544 -4.986 -1.280
261 HG SER 39 HG SER 39 -3.606 -6.432 -2.749
262 H ARG 40 H ARG 40 -2.376 -6.605 0.737
263 HA ARG 40 HA ARG 40 0.165 -6.395 -0.682
264 HB2 ARG 40 1HB ARG 40 -0.556 -8.084 1.720
265 HB3 ARG 40 2HB ARG 40 1.061 -7.809 1.086
266 HG2 ARG 40 1HG ARG 40 1.178 -5.679 1.918
267 HG3 ARG 40 2HG ARG 40 -0.574 -5.463 1.905
268 HD2 ARG 40 1HD ARG 40 1.064 -7.092 3.837
269 HD3 ARG 40 2HD ARG 40 0.136 -5.633 4.181
270 HE ARG 40 HE ARG 40 -0.850 -8.302 4.093
271 HH11 ARG 40 2HH1 ARG 40 -1.707 -4.989 3.452
272 HH12 ARG 40 1HH1 ARG 40 -3.404 -5.245 3.694
273 HH21 ARG 40 2HH2 ARG 40 -3.081 -8.651 4.415
274 HH22 ARG 40 1HH2 ARG 40 -4.184 -7.328 4.242
275 H GLY 41 H GLY 41 -2.099 -8.978 0.295
276 HA2 GLY 41 1HA GLY 41 -2.659 -10.328 -1.871
277 HA3 GLY 41 2HA GLY 41 -0.945 -10.705 -1.777
278 HA PRO 42 HA PRO 42 -3.493 -13.809 0.667
279 HB2 PRO 42 1HB PRO 42 -2.748 -15.995 -0.760
280 HB3 PRO 42 2HB PRO 42 -4.153 -15.007 -1.179
281 HG2 PRO 42 1HG PRO 42 -1.397 -14.974 -2.348
282 HG3 PRO 42 2HG PRO 42 -2.964 -14.888 -3.174
283 HD2 PRO 42 1HD PRO 42 -1.444 -12.698 -2.704
284 HD3 PRO 42 2HD PRO 42 -3.218 -12.641 -2.729
285 H GLY 43 H GLY 43 -0.360 -12.940 0.130
286 HA2 GLY 43 1HA GLY 43 0.633 -14.174 2.454
287 HA3 GLY 43 2HA GLY 43 1.154 -15.111 1.062
288 H VAL 44 H VAL 44 1.035 -11.738 2.200
289 HA VAL 44 HA VAL 44 2.856 -10.579 0.523
290 HB VAL 44 HB VAL 44 1.587 -9.400 2.321
291 HG11 VAL 44 1HG1 VAL 44 3.825 -10.254 4.145
292 HG12 VAL 44 2HG1 VAL 44 2.373 -9.341 4.561
293 HG13 VAL 44 3HG1 VAL 44 2.248 -11.042 4.112
294 HG21 VAL 44 1HG2 VAL 44 3.037 -7.918 1.401
295 HG22 VAL 44 2HG2 VAL 44 3.761 -8.000 3.007
296 HG23 VAL 44 3HG2 VAL 44 4.441 -8.946 1.684
297 H ASN 45 H ASN 45 5.017 -10.579 0.238
298 HA ASN 45 HA ASN 45 6.560 -12.690 1.355
299 HB2 ASN 45 1HB ASN 45 8.469 -11.340 0.179
300 HB3 ASN 45 2HB ASN 45 7.241 -12.142 -0.796
301 HD21 ASN 45 1HD2 ASN 45 7.547 -10.747 -2.518
302 HD22 ASN 45 2HD2 ASN 45 7.001 -9.108 -2.487
303 H VAL 46 H VAL 46 8.353 -12.584 2.735
304 HA VAL 46 HA VAL 46 8.142 -10.587 4.797
305 HB VAL 46 HB VAL 46 10.106 -12.861 4.483
306 HG11 VAL 46 1HG1 VAL 46 9.617 -10.902 6.704
307 HG12 VAL 46 2HG1 VAL 46 10.336 -12.486 7.004
308 HG13 VAL 46 3HG1 VAL 46 11.141 -11.339 5.931
309 HG21 VAL 46 1HG2 VAL 46 8.554 -13.609 6.519
310 HG22 VAL 46 2HG2 VAL 46 7.381 -12.640 5.626
311 HG23 VAL 46 3HG2 VAL 46 8.175 -14.006 4.842
312 H GLY 47 H GLY 47 8.759 -8.644 3.811
313 HA2 GLY 47 1HA GLY 47 11.462 -7.948 4.012
314 HA3 GLY 47 2HA GLY 47 11.123 -8.280 2.320
315 H THR 48 H THR 48 10.497 -6.609 1.135
316 HA THR 48 HA THR 48 9.911 -4.086 2.393
317 HB THR 48 HB THR 48 9.933 -4.837 -0.537
318 HG1 THR 48 1HG THR 48 11.879 -3.630 1.160
319 HG21 THR 48 1HG2 THR 48 9.098 -2.434 0.839
320 HG22 THR 48 2HG2 THR 48 8.984 -2.844 -0.872
321 HG23 THR 48 3HG2 THR 48 10.458 -2.114 -0.237
322 H THR 49 H THR 49 7.933 -4.613 3.469
323 HA THR 49 HA THR 49 5.636 -5.685 2.534
324 HB THR 49 HB THR 49 5.341 -3.089 3.978
325 HG1 THR 49 1HG THR 49 6.408 -5.442 5.184
326 HG21 THR 49 1HG2 THR 49 3.315 -4.061 4.121
327 HG22 THR 49 2HG2 THR 49 4.053 -5.033 5.395
328 HG23 THR 49 3HG2 THR 49 3.952 -5.663 3.751
329 H ALA 50 H ALA 50 4.239 -5.311 0.941
330 HA ALA 50 HA ALA 50 4.525 -3.681 -1.167
331 HB1 ALA 50 1HB ALA 50 2.588 -4.578 -1.775
332 HB2 ALA 50 2HB ALA 50 2.435 -5.246 -0.150
333 HB3 ALA 50 3HB ALA 50 1.726 -3.676 -0.528
334 H LEU 51 H LEU 51 3.137 -2.737 1.929
335 HA LEU 51 HA LEU 51 2.084 -0.259 1.268
336 HB2 LEU 51 1HB LEU 51 3.543 -0.861 3.830
337 HB3 LEU 51 2HB LEU 51 2.244 0.304 3.578
338 HG LEU 51 HG LEU 51 1.897 -2.683 3.361
339 HD11 LEU 51 1HD1 LEU 51 1.752 -2.819 5.567
340 HD12 LEU 51 2HD1 LEU 51 0.569 -1.512 5.604
341 HD13 LEU 51 3HD1 LEU 51 2.292 -1.145 5.683
342 HD21 LEU 51 1HD2 LEU 51 0.294 -1.273 2.107
343 HD22 LEU 51 2HD2 LEU 51 -0.135 -0.470 3.617
344 HD23 LEU 51 3HD2 LEU 51 -0.459 -2.192 3.411
345 H TRP 52 H TRP 52 5.383 -1.033 2.353
346 HA TRP 52 HA TRP 52 6.489 1.474 2.428
347 HB2 TRP 52 1HB TRP 52 7.638 -1.186 1.625
348 HB3 TRP 52 2HB TRP 52 8.631 0.269 1.606
349 HD1 TRP 52 HD TRP 52 7.369 -2.390 3.894
350 HE1 TRP 52 1HE TRP 52 8.077 -1.880 6.316
351 HE3 TRP 52 3HE TRP 52 8.980 2.422 3.273
352 HZ2 TRP 52 2HZ TRP 52 9.173 0.277 7.770
353 HZ3 TRP 52 3HZ TRP 52 9.843 3.639 5.230
354 HH2 TRP 52 HH TRP 52 9.936 2.587 7.431
355 H LYS 53 H LYS 53 6.179 -0.626 -0.424
356 HA LYS 53 HA LYS 53 7.448 0.933 -2.307
357 HB2 LYS 53 1HB LYS 53 5.026 -0.846 -2.555
358 HB3 LYS 53 2HB LYS 53 5.790 -0.090 -3.947
359 HG2 LYS 53 1HG LYS 53 7.781 -1.312 -3.647
360 HG3 LYS 53 2HG LYS 53 7.306 -1.834 -2.029
361 HD2 LYS 53 1HD LYS 53 5.378 -3.046 -3.115
362 HD3 LYS 53 2HD LYS 53 6.136 -2.694 -4.670
363 HE2 LYS 53 1HE LYS 53 7.700 -4.016 -2.488
364 HE3 LYS 53 2HE LYS 53 6.607 -4.963 -3.496
365 HZ1 LYS 53 1HZ LYS 53 8.207 -3.295 -5.117
366 HZ2 LYS 53 2HZ LYS 53 8.108 -4.983 -5.104
367 HZ3 LYS 53 3HZ LYS 53 9.202 -4.193 -4.085
368 H HIS 54 H HIS 54 4.172 1.245 -1.042
369 HA HIS 54 HA HIS 54 3.412 3.327 -2.851
370 HB2 HIS 54 1HB HIS 54 1.721 1.897 -1.830
371 HB3 HIS 54 2HB HIS 54 2.193 2.448 -0.225
372 HD1 HIS 54 1HD HIS 54 0.918 4.038 -3.445
373 HD2 HIS 54 2HD HIS 54 0.609 4.436 0.679
374 HE1 HIS 54 1HE HIS 54 -0.735 5.897 -3.070
375 H LEU 55 H LEU 55 4.565 3.216 0.493
376 HA LEU 55 HA LEU 55 4.289 5.945 1.077
377 HB2 LEU 55 1HB LEU 55 6.231 3.897 2.129
378 HB3 LEU 55 2HB LEU 55 6.044 5.514 2.803
379 HG LEU 55 HG LEU 55 3.735 3.600 2.650
380 HD11 LEU 55 1HD1 LEU 55 4.864 3.753 5.274
381 HD12 LEU 55 2HD1 LEU 55 6.081 3.175 4.136
382 HD13 LEU 55 3HD1 LEU 55 4.539 2.333 4.280
383 HD21 LEU 55 1HD2 LEU 55 3.304 5.999 3.061
384 HD22 LEU 55 2HD2 LEU 55 4.333 5.912 4.491
385 HD23 LEU 55 3HD2 LEU 55 2.842 4.973 4.419
386 H LYS 56 H LYS 56 7.110 4.129 -0.110
387 HA LYS 56 HA LYS 56 8.723 6.472 -0.406
388 HB2 LYS 56 1HB LYS 56 9.142 3.764 -1.680
389 HB3 LYS 56 2HB LYS 56 10.356 5.009 -1.412
390 HG2 LYS 56 1HG LYS 56 10.589 4.507 0.789
391 HG3 LYS 56 2HG LYS 56 8.911 3.986 0.963
392 HD2 LYS 56 1HD LYS 56 10.074 1.990 1.139
393 HD3 LYS 56 2HD LYS 56 9.629 2.018 -0.569
394 HE2 LYS 56 1HE LYS 56 12.221 3.236 0.227
395 HE3 LYS 56 2HE LYS 56 12.097 1.478 0.233
396 HZ1 LYS 56 1HZ LYS 56 12.044 1.397 -1.989
397 HZ2 LYS 56 2HZ LYS 56 12.707 2.951 -1.924
398 HZ3 LYS 56 3HZ LYS 56 11.040 2.751 -2.136
399 H SER 57 H SER 57 6.172 5.233 -2.178
400 HA SER 57 HA SER 57 7.120 6.030 -4.791
401 HB2 SER 57 1HB SER 57 5.639 4.167 -4.790
402 HB3 SER 57 2HB SER 57 4.469 5.005 -3.771
403 HG SER 57 HG SER 57 4.863 5.143 -6.494
404 H MET 58 H MET 58 4.862 7.237 -2.352
405 HA MET 58 HA MET 58 4.834 9.814 -3.777
406 HB2 MET 58 1HB MET 58 2.538 10.166 -3.134
407 HB3 MET 58 2HB MET 58 2.659 8.621 -3.966
408 HG2 MET 58 1HG MET 58 2.298 7.402 -2.043
409 HG3 MET 58 2HG MET 58 2.803 8.721 -0.989
410 HE1 MET 58 1HE MET 58 0.678 9.404 -4.011
411 HE2 MET 58 2HE MET 58 -0.152 7.883 -3.684
412 HE3 MET 58 3HE MET 58 -0.992 9.415 -3.443
413 H HIS 59 H HIS 59 4.811 8.107 -0.714
414 HA HIS 59 HA HIS 59 5.087 10.612 0.765
415 HB2 HIS 59 1HB HIS 59 4.922 7.778 1.809
416 HB3 HIS 59 2HB HIS 59 4.838 9.250 2.771
417 HD1 HIS 59 1HD HIS 59 2.702 10.860 2.048
418 HD2 HIS 59 2HD HIS 59 2.493 6.815 1.119
419 HE1 HIS 59 1HE HIS 59 0.264 10.385 1.656
420 H ARG 60 H ARG 60 7.184 9.529 -1.036
421 HA ARG 60 HA ARG 60 9.300 8.355 0.320
422 HB2 ARG 60 1HB ARG 60 9.394 8.568 -2.062
423 HB3 ARG 60 2HB ARG 60 9.285 10.320 -1.969
424 HG2 ARG 60 1HG ARG 60 11.500 10.248 -0.736
425 HG3 ARG 60 2HG ARG 60 11.604 8.561 -1.244
426 HD2 ARG 60 1HD ARG 60 11.218 10.879 -3.131
427 HD3 ARG 60 2HD ARG 60 12.786 10.172 -2.743
428 HE ARG 60 HE ARG 60 12.226 8.285 -3.983
429 HH11 ARG 60 2HH1 ARG 60 9.564 10.522 -3.815
430 HH12 ARG 60 1HH1 ARG 60 8.671 9.757 -5.088
431 HH21 ARG 60 2HH2 ARG 60 11.060 7.269 -5.660
432 HH22 ARG 60 1HH2 ARG 60 9.522 7.906 -6.136
433 H GLU 61 H GLU 61 8.219 11.684 0.288
434 HA GLU 61 HA GLU 61 10.555 12.729 1.580
435 HB2 GLU 61 1HB GLU 61 7.826 13.834 0.970
436 HB3 GLU 61 2HB GLU 61 8.964 14.727 1.969
437 HG2 GLU 61 1HG GLU 61 9.554 13.772 -0.821
438 HG3 GLU 61 2HG GLU 61 8.962 15.384 -0.423
439 H GLU 62 H GLU 62 7.279 11.858 2.622
440 HA GLU 62 HA GLU 62 7.418 12.693 5.265
441 HB2 GLU 62 1HB GLU 62 5.856 10.635 3.794
442 HB3 GLU 62 2HB GLU 62 5.864 10.534 5.549
443 HG2 GLU 62 1HG GLU 62 3.959 11.811 4.587
444 HG3 GLU 62 2HG GLU 62 4.924 12.704 5.762
445 H LEU 63 H LEU 63 8.324 9.549 3.878
446 HA LEU 63 HA LEU 63 9.054 8.245 6.214
447 HB2 LEU 63 1HB LEU 63 10.321 8.006 3.489
448 HB3 LEU 63 2HB LEU 63 10.484 6.841 4.801
449 HG LEU 63 HG LEU 63 7.896 7.521 3.408
450 HD11 LEU 63 1HD1 LEU 63 9.507 6.376 1.936
451 HD12 LEU 63 2HD1 LEU 63 8.101 5.381 2.311
452 HD13 LEU 63 3HD1 LEU 63 9.636 5.077 3.122
453 HD21 LEU 63 1HD2 LEU 63 8.488 6.179 5.863
454 HD22 LEU 63 2HD2 LEU 63 7.818 5.026 4.709
455 HD23 LEU 63 3HD2 LEU 63 6.922 6.491 5.114
456 H GLU 64 H GLU 64 11.230 9.966 3.967
457 HA GLU 64 HA GLU 64 13.583 9.778 5.342
458 HB2 GLU 64 1HB GLU 64 12.566 12.216 3.871
459 HB3 GLU 64 2HB GLU 64 14.246 11.902 4.283
460 HG2 GLU 64 1HG GLU 64 12.724 9.917 2.658
461 HG3 GLU 64 2HG GLU 64 13.361 11.375 1.899
462 H LYS 65 H LYS 65 11.083 12.266 5.795
463 HA LYS 65 HA LYS 65 12.308 13.797 7.740
464 HB2 LYS 65 1HB LYS 65 9.402 13.108 7.320
465 HB3 LYS 65 2HB LYS 65 9.932 14.261 8.538
466 HG2 LYS 65 1HG LYS 65 11.163 15.375 6.517
467 HG3 LYS 65 2HG LYS 65 9.968 14.487 5.569
468 HD2 LYS 65 1HD LYS 65 8.174 15.529 6.898
469 HD3 LYS 65 2HD LYS 65 9.389 16.449 7.789
470 HE2 LYS 65 1HE LYS 65 9.080 16.583 4.798
471 HE3 LYS 65 2HE LYS 65 8.243 17.672 5.903
472 HZ1 LYS 65 1HZ LYS 65 10.193 18.771 5.218
473 HZ2 LYS 65 2HZ LYS 65 11.163 17.411 5.482
474 HZ3 LYS 65 3HZ LYS 65 10.501 18.245 6.796
475 H SER 66 H SER 66 10.629 10.726 8.066
476 HA SER 66 HA SER 66 10.818 10.766 10.956
477 HB2 SER 66 1HB SER 66 9.813 8.694 8.998
478 HB3 SER 66 2HB SER 66 9.849 8.440 10.742
479 HG SER 66 HG SER 66 7.974 9.385 10.695
480 H GLY 67 H GLY 67 13.292 10.909 9.451
481 HA2 GLY 67 1HA GLY 67 15.380 9.946 9.360
482 HA3 GLY 67 2HA GLY 67 14.951 9.303 10.939
483 H HIS 68 H HIS 68 13.776 8.605 7.649
484 HA HIS 68 HA HIS 68 14.403 5.770 8.149
485 HB2 HIS 68 1HB HIS 68 12.107 7.105 6.775
486 HB3 HIS 68 2HB HIS 68 12.607 5.505 6.234
487 HD1 HIS 68 1HD HIS 68 13.237 4.245 8.986
488 HD2 HIS 68 2HD HIS 68 9.833 6.472 8.141
489 HE1 HIS 68 1HE HIS 68 11.523 3.521 10.678
490 H GLY 69 H GLY 69 16.280 5.339 7.157
491 HA2 GLY 69 1HA GLY 69 16.447 5.914 4.283
492 HA3 GLY 69 2HA GLY 69 17.765 6.439 5.320
493 H GLN 70 H GLN 70 17.349 4.329 3.098
494 HA GLN 70 HA GLN 70 18.257 2.317 2.552
495 HB2 GLN 70 1HB GLN 70 19.823 3.027 5.009
496 HB3 GLN 70 2HB GLN 70 20.046 1.460 4.243
497 HG2 GLN 70 1HG GLN 70 20.249 3.984 2.652
498 HG3 GLN 70 2HG GLN 70 21.611 3.397 3.605
499 HE21 GLN 70 1HE2 GLN 70 20.758 3.584 0.613
500 HE22 GLN 70 2HE2 GLN 70 21.268 2.059 -0.017
501 H SER 71 H SER 71 15.785 2.376 3.971
502 HA SER 71 HA SER 71 15.842 0.225 5.901
503 HB2 SER 71 1HB SER 71 13.429 1.552 4.649
504 HB3 SER 71 2HB SER 71 13.469 0.599 6.133
505 HG SER 71 HG SER 71 13.512 2.999 6.307
506 H GLY 72 H GLY 72 16.835 -0.492 3.337
507 HA2 GLY 72 1HA GLY 72 15.888 -2.975 2.894
508 HA3 GLY 72 2HA GLY 72 14.756 -1.987 1.982
509 HA PRO 73 HA PRO 73 19.104 -2.533 -0.110
510 HB2 PRO 73 1HB PRO 73 19.116 -5.109 -0.965
511 HB3 PRO 73 2HB PRO 73 19.812 -4.606 0.580
512 HG2 PRO 73 1HG PRO 73 17.147 -5.849 0.018
513 HG3 PRO 73 2HG PRO 73 18.297 -6.207 1.320
514 HD2 PRO 73 1HD PRO 73 16.104 -4.663 1.696
515 HD3 PRO 73 2HD PRO 73 17.619 -4.404 2.585
516 H SER 74 H SER 74 15.845 -3.107 -0.718
517 HA SER 74 HA SER 74 16.132 -3.484 -3.585
518 HB2 SER 74 1HB SER 74 13.668 -3.555 -3.599
519 HB3 SER 74 2HB SER 74 14.335 -4.672 -2.408
520 HG SER 74 HG SER 74 12.511 -3.041 -1.876
521 H SER 75 H SER 75 17.342 -1.156 -2.846
522 HA SER 75 HA SER 75 15.443 0.964 -3.582
523 HB2 SER 75 1HB SER 75 16.859 1.130 -1.446
524 HB3 SER 75 2HB SER 75 18.231 1.404 -2.520
525 HG SER 75 HG SER 75 16.733 3.243 -1.645
526 H GLY 76 H GLY 76 16.315 -0.755 -5.602
527 HA2 GLY 76 1HA GLY 76 18.553 0.383 -6.997
528 HA3 GLY 76 2HA GLY 76 17.439 -0.826 -7.620
Start of MODEL 10
1 H1 GLY 1 H GLY 1 14.881 -22.154 12.406
2 HA2 GLY 1 1HA GLY 1 12.511 -20.709 11.390
3 HA3 GLY 1 2HA GLY 1 12.893 -20.860 13.099
4 H SER 2 H SER 2 14.309 -19.653 10.063
5 HA SER 2 HA SER 2 15.667 -17.559 11.616
6 HB2 SER 2 1HB SER 2 16.172 -18.473 8.773
7 HB3 SER 2 2HB SER 2 17.111 -17.266 9.652
8 HG SER 2 HG SER 2 17.873 -19.572 9.594
9 H SER 3 H SER 3 14.479 -15.773 11.769
10 HA SER 3 HA SER 3 12.753 -14.982 9.545
11 HB2 SER 3 1HB SER 3 12.041 -15.053 12.049
12 HB3 SER 3 2HB SER 3 12.915 -13.526 12.170
13 HG SER 3 HG SER 3 11.562 -12.721 10.504
14 H GLY 4 H GLY 4 15.320 -13.640 11.607
15 HA2 GLY 4 1HA GLY 4 16.996 -12.147 11.037
16 HA3 GLY 4 2HA GLY 4 16.354 -12.103 9.402
17 H SER 5 H SER 5 16.907 -9.781 9.664
18 HA SER 5 HA SER 5 15.434 -8.142 11.455
19 HB2 SER 5 1HB SER 5 16.982 -7.535 8.933
20 HB3 SER 5 2HB SER 5 16.195 -6.282 9.893
21 HG SER 5 HG SER 5 17.586 -6.622 11.515
22 H SER 6 H SER 6 13.687 -6.760 11.043
23 HA SER 6 HA SER 6 12.218 -7.130 8.545
24 HB2 SER 6 1HB SER 6 11.176 -7.814 11.288
25 HB3 SER 6 2HB SER 6 10.087 -7.396 9.965
26 HG SER 6 HG SER 6 10.608 -9.210 8.934
27 H GLY 7 H GLY 7 10.304 -5.615 8.438
28 HA2 GLY 7 1HA GLY 7 10.634 -3.219 10.093
29 HA3 GLY 7 2HA GLY 7 10.822 -3.048 8.354
30 H SER 8 H SER 8 8.569 -3.841 10.932
31 HA SER 8 HA SER 8 6.319 -3.733 9.074
32 HB2 SER 8 1HB SER 8 4.972 -4.369 11.091
33 HB3 SER 8 2HB SER 8 6.233 -5.532 10.681
34 HG SER 8 HG SER 8 5.949 -4.715 12.988
35 H GLU 9 H GLU 9 8.006 -1.380 9.918
36 HA GLU 9 HA GLU 9 6.408 0.274 11.590
37 HB2 GLU 9 1HB GLU 9 8.836 0.618 11.241
38 HB3 GLU 9 2HB GLU 9 8.514 1.080 9.576
39 HG2 GLU 9 1HG GLU 9 8.701 3.123 10.594
40 HG3 GLU 9 2HG GLU 9 6.959 2.862 10.649
41 H ALA 10 H ALA 10 6.623 -0.223 8.117
42 HA ALA 10 HA ALA 10 5.248 1.941 7.131
43 HB1 ALA 10 1HB ALA 10 5.031 -0.919 6.197
44 HB2 ALA 10 2HB ALA 10 4.569 0.506 5.265
45 HB3 ALA 10 3HB ALA 10 6.258 0.248 5.703
46 H TRP 11 H TRP 11 3.956 -0.917 8.726
47 HA TRP 11 HA TRP 11 1.262 -0.655 8.138
48 HB2 TRP 11 1HB TRP 11 2.761 -1.771 10.479
49 HB3 TRP 11 2HB TRP 11 1.005 -1.653 10.553
50 HD1 TRP 11 HD TRP 11 3.506 -4.095 9.752
51 HE1 TRP 11 1HE TRP 11 2.614 -5.921 8.172
52 HE3 TRP 11 3HE TRP 11 -0.733 -1.752 8.117
53 HZ2 TRP 11 2HZ TRP 11 0.405 -6.315 6.459
54 HZ3 TRP 11 3HZ TRP 11 -2.181 -2.922 6.508
55 HH2 TRP 11 HH TRP 11 -1.622 -5.156 5.697
56 H GLU 12 H GLU 12 3.255 1.199 10.310
57 HA GLU 12 HA GLU 12 1.250 2.355 11.900
58 HB2 GLU 12 1HB GLU 12 3.918 3.496 11.051
59 HB3 GLU 12 2HB GLU 12 2.910 4.142 12.337
60 HG2 GLU 12 1HG GLU 12 3.097 1.674 13.248
61 HG3 GLU 12 2HG GLU 12 4.567 1.682 12.276
62 H TYR 13 H TYR 13 1.755 2.632 8.614
63 HA TYR 13 HA TYR 13 0.356 5.224 8.518
64 HB2 TYR 13 1HB TYR 13 2.077 4.049 6.331
65 HB3 TYR 13 2HB TYR 13 1.400 5.672 6.400
66 HD1 TYR 13 2HD TYR 13 4.012 3.444 7.689
67 HD2 TYR 13 1HD TYR 13 2.415 7.387 7.773
68 HE1 TYR 13 2HE TYR 13 6.067 4.247 8.777
69 HE2 TYR 13 1HE TYR 13 4.466 8.201 8.860
70 HH TYR 13 HH TYR 13 7.043 7.255 8.869
71 H PHE 14 H PHE 14 -0.569 2.312 8.631
72 HA PHE 14 HA PHE 14 -2.651 2.622 6.639
73 HB2 PHE 14 1HB PHE 14 -0.828 0.208 6.650
74 HB3 PHE 14 2HB PHE 14 -2.323 0.335 5.729
75 HD1 PHE 14 1HD PHE 14 0.980 1.975 6.187
76 HD2 PHE 14 2HD PHE 14 -2.293 1.199 3.580
77 HE1 PHE 14 1HE PHE 14 2.221 3.005 4.329
78 HE2 PHE 14 2HE PHE 14 -1.057 2.227 1.717
79 HZ PHE 14 HZ PHE 14 1.203 3.131 2.090
80 H HIS 15 H HIS 15 -4.456 1.193 6.983
81 HA HIS 15 HA HIS 15 -4.453 -0.310 9.490
82 HB2 HIS 15 1HB HIS 15 -6.104 0.892 10.533
83 HB3 HIS 15 2HB HIS 15 -5.333 2.196 9.636
84 HD1 HIS 15 1HD HIS 15 -8.161 -0.282 9.000
85 HD2 HIS 15 2HD HIS 15 -7.140 3.685 8.302
86 HE1 HIS 15 1HE HIS 15 -10.148 0.729 7.836
87 H LEU 16 H LEU 16 -5.440 -2.206 9.256
88 HA LEU 16 HA LEU 16 -6.576 -2.999 6.795
89 HB2 LEU 16 1HB LEU 16 -6.641 -4.290 9.516
90 HB3 LEU 16 2HB LEU 16 -7.227 -5.060 8.043
91 HG LEU 16 HG LEU 16 -4.380 -4.144 8.393
92 HD11 LEU 16 1HD1 LEU 16 -5.328 -5.957 10.034
93 HD12 LEU 16 2HD1 LEU 16 -3.758 -6.169 9.260
94 HD13 LEU 16 3HD1 LEU 16 -5.175 -7.004 8.623
95 HD21 LEU 16 1HD2 LEU 16 -5.391 -4.544 6.092
96 HD22 LEU 16 2HD2 LEU 16 -5.480 -6.246 6.548
97 HD23 LEU 16 3HD2 LEU 16 -3.917 -5.431 6.482
98 H ALA 17 H ALA 17 -8.673 -3.311 6.158
99 HA ALA 17 HA ALA 17 -10.689 -1.871 7.698
100 HB1 ALA 17 1HB ALA 17 -12.070 -2.268 5.593
101 HB2 ALA 17 2HB ALA 17 -10.670 -1.204 5.450
102 HB3 ALA 17 3HB ALA 17 -10.577 -2.866 4.867
103 HA PRO 18 HA PRO 18 -12.605 -5.516 9.261
104 HB2 PRO 18 1HB PRO 18 -15.093 -4.526 9.712
105 HB3 PRO 18 2HB PRO 18 -13.701 -4.127 10.727
106 HG2 PRO 18 1HG PRO 18 -14.942 -2.547 8.508
107 HG3 PRO 18 2HG PRO 18 -14.363 -1.991 10.089
108 HD2 PRO 18 1HD PRO 18 -12.916 -1.692 7.820
109 HD3 PRO 18 2HD PRO 18 -12.162 -1.945 9.407
110 H ALA 19 H ALA 19 -13.876 -7.205 8.581
111 HA ALA 19 HA ALA 19 -15.164 -6.873 5.953
112 HB1 ALA 19 1HB ALA 19 -13.515 -8.435 5.583
113 HB2 ALA 19 2HB ALA 19 -13.667 -9.137 7.195
114 HB3 ALA 19 3HB ALA 19 -14.891 -9.470 5.969
115 H ARG 20 H ARG 20 -17.095 -8.139 5.538
116 HA ARG 20 HA ARG 20 -18.693 -8.525 7.982
117 HB2 ARG 20 1HB ARG 20 -20.669 -8.067 6.573
118 HB3 ARG 20 2HB ARG 20 -19.544 -6.716 6.606
119 HG2 ARG 20 1HG ARG 20 -18.689 -7.347 4.422
120 HG3 ARG 20 2HG ARG 20 -19.768 -8.743 4.391
121 HD2 ARG 20 1HD ARG 20 -20.869 -7.119 3.113
122 HD3 ARG 20 2HD ARG 20 -21.666 -7.061 4.684
123 HE ARG 20 HE ARG 20 -20.763 -4.960 5.048
124 HH11 ARG 20 2HH1 ARG 20 -19.467 -6.366 2.138
125 HH12 ARG 20 1HH1 ARG 20 -18.764 -4.885 1.580
126 HH21 ARG 20 2HH2 ARG 20 -19.841 -3.003 4.323
127 HH22 ARG 20 1HH2 ARG 20 -18.976 -2.973 2.824
128 H ALA 21 H ALA 21 -18.113 -9.787 4.718
129 HA ALA 21 HA ALA 21 -19.660 -12.171 5.211
130 HB1 ALA 21 1HB ALA 21 -17.919 -12.386 2.932
131 HB2 ALA 21 2HB ALA 21 -19.680 -12.317 2.995
132 HB3 ALA 21 3HB ALA 21 -18.741 -10.825 2.938
133 H GLY 22 H GLY 22 -18.488 -14.318 4.498
134 HA2 GLY 22 1HA GLY 22 -16.888 -15.216 6.497
135 HA3 GLY 22 2HA GLY 22 -16.826 -15.880 4.871
136 H HIS 23 H HIS 23 -15.804 -13.525 3.599
137 HA HIS 23 HA HIS 23 -13.117 -13.945 3.608
138 HB2 HIS 23 1HB HIS 23 -14.811 -11.598 2.922
139 HB3 HIS 23 2HB HIS 23 -13.074 -11.331 3.041
140 HD1 HIS 23 1HD HIS 23 -15.537 -12.142 0.635
141 HD2 HIS 23 2HD HIS 23 -11.662 -13.450 1.364
142 HE1 HIS 23 1HE HIS 23 -14.760 -13.175 -1.521
143 H HIS 24 H HIS 24 -11.574 -13.780 5.084
144 HA HIS 24 HA HIS 24 -11.863 -12.916 7.669
145 HB2 HIS 24 1HB HIS 24 -9.295 -12.579 7.565
146 HB3 HIS 24 2HB HIS 24 -9.947 -14.186 7.257
147 HD1 HIS 24 1HD HIS 24 -8.847 -11.150 5.243
148 HD2 HIS 24 2HD HIS 24 -9.022 -15.292 4.968
149 HE1 HIS 24 1HE HIS 24 -7.722 -11.728 3.069
150 HA PRO 25 HA PRO 25 -11.824 -8.530 7.752
151 HB2 PRO 25 1HB PRO 25 -10.403 -8.026 10.009
152 HB3 PRO 25 2HB PRO 25 -12.046 -8.677 10.034
153 HG2 PRO 25 1HG PRO 25 -9.435 -10.112 10.326
154 HG3 PRO 25 2HG PRO 25 -10.938 -10.326 11.243
155 HD2 PRO 25 1HD PRO 25 -10.205 -11.990 9.236
156 HD3 PRO 25 2HD PRO 25 -11.903 -11.621 9.599
157 H ASN 26 H ASN 26 -9.135 -10.258 6.970
158 HA ASN 26 HA ASN 26 -7.424 -7.872 6.763
159 HB2 ASN 26 1HB ASN 26 -6.675 -10.804 6.686
160 HB3 ASN 26 2HB ASN 26 -5.545 -9.468 6.486
161 HD21 ASN 26 1HD2 ASN 26 -4.318 -9.772 8.259
162 HD22 ASN 26 2HD2 ASN 26 -4.908 -9.665 9.880
163 H GLN 27 H GLN 27 -8.659 -7.198 4.884
164 HA GLN 27 HA GLN 27 -8.160 -8.805 2.476
165 HB2 GLN 27 1HB GLN 27 -10.517 -8.119 3.028
166 HB3 GLN 27 2HB GLN 27 -10.028 -6.450 2.768
167 HG2 GLN 27 1HG GLN 27 -9.544 -6.883 0.466
168 HG3 GLN 27 2HG GLN 27 -9.808 -8.612 0.690
169 HE21 GLN 27 1HE2 GLN 27 -11.551 -5.599 1.403
170 HE22 GLN 27 2HE2 GLN 27 -13.068 -6.128 0.768
171 H TYR 28 H TYR 28 -8.527 -5.311 3.061
172 HA TYR 28 HA TYR 28 -6.033 -4.896 1.546
173 HB2 TYR 28 1HB TYR 28 -8.701 -3.608 1.301
174 HB3 TYR 28 2HB TYR 28 -7.291 -2.574 1.101
175 HD1 TYR 28 2HD TYR 28 -7.735 -6.126 0.083
176 HD2 TYR 28 1HD TYR 28 -7.266 -2.091 -1.184
177 HE1 TYR 28 2HE TYR 28 -7.511 -6.889 -2.245
178 HE2 TYR 28 1HE TYR 28 -7.042 -2.843 -3.515
179 HH TYR 28 HH TYR 28 -7.861 -5.931 -4.536
180 H ALA 29 H ALA 29 -5.075 -2.677 1.976
181 HA ALA 29 HA ALA 29 -5.277 -2.084 4.856
182 HB1 ALA 29 1HB ALA 29 -2.859 -1.647 3.114
183 HB2 ALA 29 2HB ALA 29 -2.958 -1.530 4.872
184 HB3 ALA 29 3HB ALA 29 -3.125 -3.097 4.082
185 H THR 30 H THR 30 -6.045 -0.149 5.359
186 HA THR 30 HA THR 30 -6.342 1.873 3.295
187 HB THR 30 HB THR 30 -7.255 1.951 6.177
188 HG1 THR 30 1HG THR 30 -8.733 0.610 5.489
189 HG21 THR 30 1HG2 THR 30 -8.206 3.953 5.764
190 HG22 THR 30 2HG2 THR 30 -8.666 3.506 4.121
191 HG23 THR 30 3HG2 THR 30 -7.023 4.049 4.460
192 H CYS 31 H CYS 31 -4.692 3.199 2.923
193 HA CYS 31 HA CYS 31 -2.552 3.666 4.677
194 HB2 CYS 31 1HB CYS 31 -2.776 4.058 2.100
195 HB3 CYS 31 2HB CYS 31 -3.325 5.661 2.576
196 H ARG 32 H ARG 32 -2.466 4.825 6.474
197 HA ARG 32 HA ARG 32 -4.607 6.639 7.158
198 HB2 ARG 32 1HB ARG 32 -2.096 5.931 8.686
199 HB3 ARG 32 2HB ARG 32 -3.473 6.821 9.323
200 HG2 ARG 32 1HG ARG 32 -4.881 4.899 9.156
201 HG3 ARG 32 2HG ARG 32 -3.634 4.001 8.289
202 HD2 ARG 32 1HD ARG 32 -3.343 3.170 10.402
203 HD3 ARG 32 2HD ARG 32 -2.218 4.528 10.439
204 HE ARG 32 HE ARG 32 -4.840 5.234 11.344
205 HH11 ARG 32 2HH1 ARG 32 -1.811 3.797 12.284
206 HH12 ARG 32 1HH1 ARG 32 -2.005 4.172 13.964
207 HH21 ARG 32 2HH2 ARG 32 -5.107 5.733 13.554
208 HH22 ARG 32 1HH2 ARG 32 -3.881 5.272 14.686
209 H LEU 33 H LEU 33 -1.951 6.976 5.298
210 HA LEU 33 HA LEU 33 -1.191 9.626 6.253
211 HB2 LEU 33 1HB LEU 33 -0.078 7.694 4.270
212 HB3 LEU 33 2HB LEU 33 0.344 9.400 4.143
213 HG LEU 33 HG LEU 33 0.882 7.606 6.510
214 HD11 LEU 33 1HD1 LEU 33 2.968 7.286 5.735
215 HD12 LEU 33 2HD1 LEU 33 3.077 8.906 5.048
216 HD13 LEU 33 3HD1 LEU 33 2.232 7.632 4.170
217 HD21 LEU 33 1HD2 LEU 33 1.128 10.540 6.077
218 HD22 LEU 33 2HD2 LEU 33 2.367 9.721 7.027
219 HD23 LEU 33 3HD2 LEU 33 0.677 9.644 7.528
220 H CYS 34 H CYS 34 -2.422 8.101 3.283
221 HA CYS 34 HA CYS 34 -3.370 10.752 2.415
222 HB2 CYS 34 1HB CYS 34 -3.302 9.910 0.128
223 HB3 CYS 34 2HB CYS 34 -1.729 9.709 0.894
224 H GLY 35 H GLY 35 -4.229 7.352 2.781
225 HA2 GLY 35 1HA GLY 35 -6.441 6.778 3.562
226 HA3 GLY 35 2HA GLY 35 -7.063 8.153 2.662
227 H ARG 36 H ARG 36 -4.693 6.049 1.238
228 HA ARG 36 HA ARG 36 -6.721 5.155 -0.682
229 HB2 ARG 36 1HB ARG 36 -3.746 5.499 -0.811
230 HB3 ARG 36 2HB ARG 36 -4.551 4.413 -1.936
231 HG2 ARG 36 1HG ARG 36 -6.099 6.535 -2.292
232 HG3 ARG 36 2HG ARG 36 -4.639 7.368 -1.754
233 HD2 ARG 36 1HD ARG 36 -3.451 5.853 -3.499
234 HD3 ARG 36 2HD ARG 36 -5.069 5.665 -4.175
235 HE ARG 36 HE ARG 36 -4.287 8.400 -3.727
236 HH11 ARG 36 2HH1 ARG 36 -4.252 5.724 -5.953
237 HH12 ARG 36 1HH1 ARG 36 -4.068 6.724 -7.356
238 HH21 ARG 36 2HH2 ARG 36 -4.044 9.727 -5.566
239 HH22 ARG 36 1HH2 ARG 36 -3.948 9.001 -7.134
240 H GLN 37 H GLN 37 -6.991 2.993 -1.211
241 HA GLN 37 HA GLN 37 -6.231 1.131 0.880
242 HB2 GLN 37 1HB GLN 37 -7.892 0.584 -1.581
243 HB3 GLN 37 2HB GLN 37 -7.811 -0.382 -0.114
244 HG2 GLN 37 1HG GLN 37 -8.688 1.744 1.057
245 HG3 GLN 37 2HG GLN 37 -9.151 2.248 -0.567
246 HE21 GLN 37 1HE2 GLN 37 -9.840 0.190 2.087
247 HE22 GLN 37 2HE2 GLN 37 -11.277 -0.526 1.448
248 H VAL 38 H VAL 38 -4.633 -0.304 0.749
249 HA VAL 38 HA VAL 38 -3.569 -1.008 -1.901
250 HB VAL 38 HB VAL 38 -1.852 -0.381 0.504
251 HG11 VAL 38 1HG1 VAL 38 -1.277 -2.058 -1.555
252 HG12 VAL 38 2HG1 VAL 38 -0.656 -0.525 -2.171
253 HG13 VAL 38 3HG1 VAL 38 -0.076 -1.157 -0.630
254 HG21 VAL 38 1HG2 VAL 38 -2.743 1.258 -1.808
255 HG22 VAL 38 2HG2 VAL 38 -2.430 1.733 -0.139
256 HG23 VAL 38 3HG2 VAL 38 -1.084 1.453 -1.243
257 H SER 39 H SER 39 -3.531 -3.131 -2.188
258 HA SER 39 HA SER 39 -4.020 -4.922 0.011
259 HB2 SER 39 1HB SER 39 -3.920 -6.685 -1.782
260 HB3 SER 39 2HB SER 39 -5.108 -5.416 -2.077
261 HG SER 39 HG SER 39 -4.098 -5.005 -3.859
262 H ARG 40 H ARG 40 -2.688 -6.715 0.592
263 HA ARG 40 HA ARG 40 0.082 -6.027 0.775
264 HB2 ARG 40 1HB ARG 40 -1.321 -8.589 1.560
265 HB3 ARG 40 2HB ARG 40 0.300 -8.109 2.047
266 HG2 ARG 40 1HG ARG 40 -1.005 -5.989 2.955
267 HG3 ARG 40 2HG ARG 40 -2.335 -7.148 3.001
268 HD2 ARG 40 1HD ARG 40 0.367 -7.643 4.238
269 HD3 ARG 40 2HD ARG 40 -1.005 -6.972 5.119
270 HE ARG 40 HE ARG 40 -0.624 -9.714 4.318
271 HH11 ARG 40 2HH1 ARG 40 -2.924 -7.279 5.267
272 HH12 ARG 40 1HH1 ARG 40 -4.105 -8.422 5.815
273 HH21 ARG 40 2HH2 ARG 40 -2.171 -11.228 5.037
274 HH22 ARG 40 1HH2 ARG 40 -3.675 -10.668 5.685
275 H GLY 41 H GLY 41 -1.544 -8.916 -0.563
276 HA2 GLY 41 1HA GLY 41 -1.096 -9.930 -2.632
277 HA3 GLY 41 2HA GLY 41 0.326 -8.911 -2.799
278 HA PRO 42 HA PRO 42 1.404 -13.315 -1.416
279 HB2 PRO 42 1HB PRO 42 2.585 -14.133 -3.720
280 HB3 PRO 42 2HB PRO 42 0.863 -14.357 -3.391
281 HG2 PRO 42 1HG PRO 42 2.220 -12.249 -5.027
282 HG3 PRO 42 2HG PRO 42 0.743 -13.164 -5.383
283 HD2 PRO 42 1HD PRO 42 0.694 -10.630 -4.430
284 HD3 PRO 42 2HD PRO 42 -0.562 -11.822 -4.038
285 H GLY 43 H GLY 43 2.953 -12.417 -0.048
286 HA2 GLY 43 1HA GLY 43 5.433 -12.737 0.099
287 HA3 GLY 43 2HA GLY 43 5.522 -11.720 -1.332
288 H VAL 44 H VAL 44 3.634 -11.406 1.667
289 HA VAL 44 HA VAL 44 4.712 -8.688 1.952
290 HB VAL 44 HB VAL 44 2.205 -9.064 1.835
291 HG11 VAL 44 1HG1 VAL 44 1.146 -10.375 3.292
292 HG12 VAL 44 2HG1 VAL 44 2.736 -10.973 3.771
293 HG13 VAL 44 3HG1 VAL 44 1.983 -9.651 4.664
294 HG21 VAL 44 1HG2 VAL 44 2.692 -7.774 4.440
295 HG22 VAL 44 2HG2 VAL 44 3.658 -7.173 3.093
296 HG23 VAL 44 3HG2 VAL 44 1.897 -7.150 2.995
297 H ASN 45 H ASN 45 5.021 -7.915 4.214
298 HA ASN 45 HA ASN 45 6.335 -8.045 6.082
299 HB2 ASN 45 1HB ASN 45 5.517 -9.639 7.770
300 HB3 ASN 45 2HB ASN 45 4.185 -8.815 6.965
301 HD21 ASN 45 1HD2 ASN 45 5.965 -11.813 7.213
302 HD22 ASN 45 2HD2 ASN 45 4.734 -12.823 6.540
303 H VAL 46 H VAL 46 7.651 -9.101 3.893
304 HA VAL 46 HA VAL 46 9.165 -11.315 5.117
305 HB VAL 46 HB VAL 46 8.526 -10.915 2.193
306 HG11 VAL 46 1HG1 VAL 46 9.884 -12.891 1.763
307 HG12 VAL 46 2HG1 VAL 46 10.858 -11.609 2.486
308 HG13 VAL 46 3HG1 VAL 46 10.324 -12.974 3.468
309 HG21 VAL 46 1HG2 VAL 46 6.997 -12.541 2.395
310 HG22 VAL 46 2HG2 VAL 46 8.024 -13.506 3.456
311 HG23 VAL 46 3HG2 VAL 46 7.063 -12.184 4.121
312 H GLY 47 H GLY 47 9.263 -8.487 2.992
313 HA2 GLY 47 1HA GLY 47 11.985 -7.955 3.897
314 HA3 GLY 47 2HA GLY 47 11.768 -8.194 2.170
315 H THR 48 H THR 48 9.627 -6.875 1.446
316 HA THR 48 HA THR 48 9.870 -4.159 2.553
317 HB THR 48 HB THR 48 9.681 -4.769 -0.401
318 HG1 THR 48 1HG THR 48 11.947 -3.595 0.765
319 HG21 THR 48 1HG2 THR 48 10.176 -2.188 1.089
320 HG22 THR 48 2HG2 THR 48 8.686 -2.632 0.256
321 HG23 THR 48 3HG2 THR 48 10.169 -2.382 -0.663
322 H THR 49 H THR 49 7.900 -4.524 3.662
323 HA THR 49 HA THR 49 5.535 -5.516 2.878
324 HB THR 49 HB THR 49 5.368 -2.792 4.077
325 HG1 THR 49 1HG THR 49 6.012 -3.976 6.120
326 HG21 THR 49 1HG2 THR 49 4.071 -4.484 5.734
327 HG22 THR 49 2HG2 THR 49 3.955 -5.380 4.219
328 HG23 THR 49 3HG2 THR 49 3.326 -3.736 4.323
329 H ALA 50 H ALA 50 4.155 -5.247 1.255
330 HA ALA 50 HA ALA 50 4.471 -3.760 -0.968
331 HB1 ALA 50 1HB ALA 50 1.684 -3.708 -0.488
332 HB2 ALA 50 2HB ALA 50 2.602 -4.832 -1.491
333 HB3 ALA 50 3HB ALA 50 2.317 -5.199 0.210
334 H LEU 51 H LEU 51 3.207 -2.619 2.090
335 HA LEU 51 HA LEU 51 2.122 -0.176 1.213
336 HB2 LEU 51 1HB LEU 51 3.411 -0.610 3.891
337 HB3 LEU 51 2HB LEU 51 2.083 0.474 3.483
338 HG LEU 51 HG LEU 51 1.881 -2.535 3.438
339 HD11 LEU 51 1HD1 LEU 51 2.347 -1.532 5.706
340 HD12 LEU 51 2HD1 LEU 51 0.850 -2.452 5.561
341 HD13 LEU 51 3HD1 LEU 51 0.805 -0.689 5.554
342 HD21 LEU 51 1HD2 LEU 51 -0.375 -0.573 3.602
343 HD22 LEU 51 2HD2 LEU 51 -0.396 -2.256 3.076
344 HD23 LEU 51 3HD2 LEU 51 0.324 -1.019 2.045
345 H TRP 52 H TRP 52 5.363 -1.035 2.358
346 HA TRP 52 HA TRP 52 6.528 1.456 2.491
347 HB2 TRP 52 1HB TRP 52 7.598 -1.253 1.777
348 HB3 TRP 52 2HB TRP 52 8.648 0.158 1.676
349 HD1 TRP 52 HD TRP 52 7.311 -2.330 4.106
350 HE1 TRP 52 1HE TRP 52 8.059 -1.724 6.493
351 HE3 TRP 52 3HE TRP 52 9.087 2.382 3.228
352 HZ2 TRP 52 2HZ TRP 52 9.244 0.463 7.827
353 HZ3 TRP 52 3HZ TRP 52 10.011 3.665 5.113
354 HH2 TRP 52 HH TRP 52 10.087 2.724 7.365
355 H LYS 53 H LYS 53 6.009 -0.572 -0.358
356 HA LYS 53 HA LYS 53 7.432 0.976 -2.209
357 HB2 LYS 53 1HB LYS 53 5.204 -1.008 -2.400
358 HB3 LYS 53 2HB LYS 53 5.620 -0.063 -3.823
359 HG2 LYS 53 1HG LYS 53 6.892 -1.961 -4.101
360 HG3 LYS 53 2HG LYS 53 8.038 -0.854 -3.341
361 HD2 LYS 53 1HD LYS 53 8.380 -2.688 -2.030
362 HD3 LYS 53 2HD LYS 53 7.050 -1.951 -1.134
363 HE2 LYS 53 1HE LYS 53 6.395 -4.172 -1.323
364 HE3 LYS 53 2HE LYS 53 5.533 -3.388 -2.645
365 HZ1 LYS 53 1HZ LYS 53 6.488 -4.811 -4.023
366 HZ2 LYS 53 2HZ LYS 53 7.391 -5.498 -2.768
367 HZ3 LYS 53 3HZ LYS 53 8.009 -4.181 -3.631
368 H HIS 54 H HIS 54 4.279 1.387 -0.798
369 HA HIS 54 HA HIS 54 3.494 3.426 -2.706
370 HB2 HIS 54 1HB HIS 54 1.765 1.956 -1.844
371 HB3 HIS 54 2HB HIS 54 2.158 2.412 -0.189
372 HD1 HIS 54 1HD HIS 54 0.781 3.974 -3.359
373 HD2 HIS 54 2HD HIS 54 0.756 4.545 0.756
374 HE1 HIS 54 1HE HIS 54 -0.842 5.851 -2.951
375 H LEU 55 H LEU 55 4.734 3.201 0.566
376 HA LEU 55 HA LEU 55 4.296 5.914 1.278
377 HB2 LEU 55 1HB LEU 55 6.185 3.824 2.335
378 HB3 LEU 55 2HB LEU 55 6.031 5.433 3.037
379 HG LEU 55 HG LEU 55 3.689 3.561 2.801
380 HD11 LEU 55 1HD1 LEU 55 4.707 2.225 4.269
381 HD12 LEU 55 2HD1 LEU 55 4.447 3.517 5.439
382 HD13 LEU 55 3HD1 LEU 55 5.986 3.397 4.586
383 HD21 LEU 55 1HD2 LEU 55 2.893 4.955 4.713
384 HD22 LEU 55 2HD2 LEU 55 3.076 5.837 3.196
385 HD23 LEU 55 3HD2 LEU 55 4.292 6.001 4.464
386 H LYS 56 H LYS 56 7.141 4.166 0.063
387 HA LYS 56 HA LYS 56 8.741 6.547 -0.079
388 HB2 LYS 56 1HB LYS 56 9.356 3.978 -1.515
389 HB3 LYS 56 2HB LYS 56 10.476 5.167 -0.862
390 HG2 LYS 56 1HG LYS 56 10.387 4.310 1.227
391 HG3 LYS 56 2HG LYS 56 8.697 3.825 1.076
392 HD2 LYS 56 1HD LYS 56 9.654 1.761 1.031
393 HD3 LYS 56 2HD LYS 56 9.752 2.137 -0.691
394 HE2 LYS 56 1HE LYS 56 11.910 1.505 -0.340
395 HE3 LYS 56 2HE LYS 56 12.055 3.215 0.064
396 HZ1 LYS 56 1HZ LYS 56 12.305 2.772 2.258
397 HZ2 LYS 56 2HZ LYS 56 12.932 1.322 1.656
398 HZ3 LYS 56 3HZ LYS 56 11.340 1.383 2.222
399 H SER 57 H SER 57 6.294 5.281 -1.981
400 HA SER 57 HA SER 57 7.336 6.207 -4.523
401 HB2 SER 57 1HB SER 57 4.962 4.681 -3.611
402 HB3 SER 57 2HB SER 57 4.748 5.662 -5.061
403 HG SER 57 HG SER 57 6.557 4.581 -5.958
404 H MET 58 H MET 58 4.916 7.181 -2.145
405 HA MET 58 HA MET 58 4.702 9.767 -3.540
406 HB2 MET 58 1HB MET 58 2.394 9.939 -2.698
407 HB3 MET 58 2HB MET 58 2.607 8.547 -3.752
408 HG2 MET 58 1HG MET 58 2.287 7.049 -2.078
409 HG3 MET 58 2HG MET 58 2.946 8.120 -0.843
410 HE1 MET 58 1HE MET 58 -0.926 9.495 -2.731
411 HE2 MET 58 2HE MET 58 0.597 9.093 -3.525
412 HE3 MET 58 3HE MET 58 -0.566 7.820 -3.149
413 H HIS 59 H HIS 59 4.803 8.067 -0.465
414 HA HIS 59 HA HIS 59 4.971 10.591 0.996
415 HB2 HIS 59 1HB HIS 59 4.929 7.749 2.032
416 HB3 HIS 59 2HB HIS 59 4.841 9.207 3.016
417 HD1 HIS 59 1HD HIS 59 2.659 10.799 2.279
418 HD2 HIS 59 2HD HIS 59 2.493 6.722 1.497
419 HE1 HIS 59 1HE HIS 59 0.219 10.272 1.976
420 H ARG 60 H ARG 60 7.105 9.595 -0.818
421 HA ARG 60 HA ARG 60 9.290 8.527 0.496
422 HB2 ARG 60 1HB ARG 60 9.371 8.799 -1.873
423 HB3 ARG 60 2HB ARG 60 9.142 10.538 -1.747
424 HG2 ARG 60 1HG ARG 60 11.342 10.750 -0.699
425 HG3 ARG 60 2HG ARG 60 11.572 9.006 -0.844
426 HD2 ARG 60 1HD ARG 60 11.782 9.094 -3.146
427 HD3 ARG 60 2HD ARG 60 10.916 10.625 -3.268
428 HE ARG 60 HE ARG 60 13.203 11.201 -1.868
429 HH11 ARG 60 2HH1 ARG 60 12.455 9.832 -4.981
430 HH12 ARG 60 1HH1 ARG 60 13.900 10.422 -5.733
431 HH21 ARG 60 2HH2 ARG 60 15.109 11.983 -2.847
432 HH22 ARG 60 1HH2 ARG 60 15.410 11.644 -4.518
433 H GLU 61 H GLU 61 8.146 11.860 0.424
434 HA GLU 61 HA GLU 61 10.397 12.974 1.758
435 HB2 GLU 61 1HB GLU 61 7.569 14.023 1.545
436 HB3 GLU 61 2HB GLU 61 8.965 14.951 2.074
437 HG2 GLU 61 1HG GLU 61 8.893 15.610 -0.090
438 HG3 GLU 61 2HG GLU 61 9.912 14.184 -0.270
439 H GLU 62 H GLU 62 7.221 11.845 2.847
440 HA GLU 62 HA GLU 62 7.475 12.616 5.539
441 HB2 GLU 62 1HB GLU 62 5.312 12.040 4.717
442 HB3 GLU 62 2HB GLU 62 5.857 10.448 4.207
443 HG2 GLU 62 1HG GLU 62 4.789 9.869 6.116
444 HG3 GLU 62 2HG GLU 62 6.388 10.198 6.782
445 H LEU 63 H LEU 63 8.655 9.847 3.773
446 HA LEU 63 HA LEU 63 9.346 8.323 6.105
447 HB2 LEU 63 1HB LEU 63 10.217 8.036 3.233
448 HB3 LEU 63 2HB LEU 63 10.534 6.866 4.513
449 HG LEU 63 HG LEU 63 7.838 7.606 3.377
450 HD11 LEU 63 1HD1 LEU 63 9.599 6.029 2.189
451 HD12 LEU 63 2HD1 LEU 63 7.876 5.657 2.203
452 HD13 LEU 63 3HD1 LEU 63 8.959 4.858 3.343
453 HD21 LEU 63 1HD2 LEU 63 6.938 5.889 4.843
454 HD22 LEU 63 2HD2 LEU 63 7.716 7.161 5.785
455 HD23 LEU 63 3HD2 LEU 63 8.537 5.619 5.537
456 H GLU 64 H GLU 64 11.345 9.847 3.568
457 HA GLU 64 HA GLU 64 13.801 9.575 4.815
458 HB2 GLU 64 1HB GLU 64 12.793 11.725 2.951
459 HB3 GLU 64 2HB GLU 64 14.473 11.597 3.453
460 HG2 GLU 64 1HG GLU 64 14.483 9.277 2.519
461 HG3 GLU 64 2HG GLU 64 12.886 9.610 1.853
462 H LYS 65 H LYS 65 11.599 12.372 4.948
463 HA LYS 65 HA LYS 65 13.001 14.081 6.541
464 HB2 LYS 65 1HB LYS 65 10.954 15.092 7.144
465 HB3 LYS 65 2HB LYS 65 10.673 14.386 5.558
466 HG2 LYS 65 1HG LYS 65 9.369 12.655 6.430
467 HG3 LYS 65 2HG LYS 65 9.956 12.922 8.073
468 HD2 LYS 65 1HD LYS 65 8.865 15.272 7.785
469 HD3 LYS 65 2HD LYS 65 7.954 14.486 6.493
470 HE2 LYS 65 1HE LYS 65 6.599 14.253 8.385
471 HE3 LYS 65 2HE LYS 65 7.398 12.690 8.225
472 HZ1 LYS 65 1HZ LYS 65 8.045 12.948 10.316
473 HZ2 LYS 65 2HZ LYS 65 7.508 14.551 10.371
474 HZ3 LYS 65 3HZ LYS 65 9.063 14.199 9.805
475 H SER 66 H SER 66 11.424 11.112 7.493
476 HA SER 66 HA SER 66 11.871 11.624 10.321
477 HB2 SER 66 1HB SER 66 9.814 10.433 9.352
478 HB3 SER 66 2HB SER 66 10.874 9.042 9.125
479 HG SER 66 HG SER 66 11.362 9.626 11.523
480 H GLY 67 H GLY 67 12.835 9.144 7.942
481 HA2 GLY 67 1HA GLY 67 15.411 8.890 8.062
482 HA3 GLY 67 2HA GLY 67 15.062 8.406 9.715
483 H HIS 68 H HIS 68 13.013 7.623 6.979
484 HA HIS 68 HA HIS 68 13.778 4.795 7.309
485 HB2 HIS 68 1HB HIS 68 11.091 5.961 6.554
486 HB3 HIS 68 2HB HIS 68 11.467 4.241 6.586
487 HD1 HIS 68 1HD HIS 68 12.808 3.853 9.222
488 HD2 HIS 68 2HD HIS 68 9.570 6.411 8.737
489 HE1 HIS 68 1HE HIS 68 11.791 4.091 11.509
490 H GLY 69 H GLY 69 15.112 6.585 5.542
491 HA2 GLY 69 1HA GLY 69 14.102 6.323 2.885
492 HA3 GLY 69 2HA GLY 69 15.722 6.836 3.335
493 H GLN 70 H GLN 70 16.965 4.844 4.421
494 HA GLN 70 HA GLN 70 16.893 2.749 2.375
495 HB2 GLN 70 1HB GLN 70 19.164 2.165 3.447
496 HB3 GLN 70 2HB GLN 70 19.053 3.631 2.481
497 HG2 GLN 70 1HG GLN 70 18.669 3.728 5.444
498 HG3 GLN 70 2HG GLN 70 20.286 3.700 4.741
499 HE21 GLN 70 1HE2 GLN 70 20.682 5.357 3.034
500 HE22 GLN 70 2HE2 GLN 70 20.014 6.931 3.283
501 H SER 71 H SER 71 14.969 1.841 3.465
502 HA SER 71 HA SER 71 15.420 0.550 6.025
503 HB2 SER 71 1HB SER 71 13.217 1.619 5.328
504 HB3 SER 71 2HB SER 71 13.000 0.244 4.244
505 HG SER 71 HG SER 71 13.522 -0.948 6.384
506 H GLY 72 H GLY 72 14.691 -0.448 2.685
507 HA2 GLY 72 1HA GLY 72 16.242 -2.875 3.092
508 HA3 GLY 72 2HA GLY 72 14.529 -3.113 2.776
509 HA PRO 73 HA PRO 73 17.078 -2.661 -1.202
510 HB2 PRO 73 1HB PRO 73 16.932 -5.244 -2.025
511 HB3 PRO 73 2HB PRO 73 18.245 -4.631 -1.012
512 HG2 PRO 73 1HG PRO 73 15.794 -6.158 -0.219
513 HG3 PRO 73 2HG PRO 73 17.467 -6.361 0.334
514 HD2 PRO 73 1HD PRO 73 15.601 -5.043 1.789
515 HD3 PRO 73 2HD PRO 73 17.321 -4.605 1.820
516 H SER 74 H SER 74 16.124 -2.437 -3.195
517 HA SER 74 HA SER 74 13.265 -3.130 -3.335
518 HB2 SER 74 1HB SER 74 14.829 -0.870 -4.588
519 HB3 SER 74 2HB SER 74 13.187 -1.283 -5.081
520 HG SER 74 HG SER 74 13.944 -0.667 -2.417
521 H SER 75 H SER 75 12.859 -4.824 -4.578
522 HA SER 75 HA SER 75 14.686 -5.488 -6.764
523 HB2 SER 75 1HB SER 75 12.387 -7.106 -5.640
524 HB3 SER 75 2HB SER 75 13.611 -7.672 -6.777
525 HG SER 75 HG SER 75 14.626 -8.242 -5.025
526 H GLY 76 H GLY 76 14.079 -3.971 -8.317
527 HA2 GLY 76 1HA GLY 76 11.397 -4.427 -9.471
528 HA3 GLY 76 2HA GLY 76 12.102 -2.821 -9.366
Start of MODEL 11
1 H1 GLY 1 H GLY 1 -2.868 -5.910 12.048
2 HA2 GLY 1 1HA GLY 1 -1.260 -7.557 11.937
3 HA3 GLY 1 2HA GLY 1 -0.182 -6.382 11.199
4 H SER 2 H SER 2 0.411 -8.401 13.217
5 HA SER 2 HA SER 2 1.318 -6.617 15.381
6 HB2 SER 2 1HB SER 2 0.088 -9.326 15.478
7 HB3 SER 2 2HB SER 2 1.374 -8.981 16.634
8 HG SER 2 HG SER 2 -1.159 -7.808 16.376
9 H SER 3 H SER 3 2.029 -9.724 13.785
10 HA SER 3 HA SER 3 4.763 -9.720 14.622
11 HB2 SER 3 1HB SER 3 4.994 -11.700 13.216
12 HB3 SER 3 2HB SER 3 3.504 -11.806 14.154
13 HG SER 3 HG SER 3 3.513 -10.737 11.544
14 H GLY 4 H GLY 4 6.614 -9.667 13.180
15 HA2 GLY 4 1HA GLY 4 6.228 -8.336 10.612
16 HA3 GLY 4 2HA GLY 4 7.118 -7.440 11.833
17 H SER 5 H SER 5 7.795 -8.767 9.153
18 HA SER 5 HA SER 5 9.916 -10.586 10.019
19 HB2 SER 5 1HB SER 5 8.985 -9.879 7.225
20 HB3 SER 5 2HB SER 5 10.165 -11.123 7.636
21 HG SER 5 HG SER 5 7.677 -11.250 8.884
22 H SER 6 H SER 6 11.079 -8.772 11.021
23 HA SER 6 HA SER 6 12.790 -7.274 11.073
24 HB2 SER 6 1HB SER 6 13.285 -8.303 8.269
25 HB3 SER 6 2HB SER 6 14.420 -7.341 9.215
26 HG SER 6 HG SER 6 13.856 -9.262 10.800
27 H GLY 7 H GLY 7 10.313 -6.200 10.516
28 HA2 GLY 7 1HA GLY 7 10.830 -3.638 9.713
29 HA3 GLY 7 2HA GLY 7 10.413 -4.474 8.224
30 H SER 8 H SER 8 8.320 -4.739 7.721
31 HA SER 8 HA SER 8 6.090 -4.180 7.795
32 HB2 SER 8 1HB SER 8 6.628 -6.046 10.073
33 HB3 SER 8 2HB SER 8 5.007 -5.380 9.880
34 HG SER 8 HG SER 8 6.400 -7.180 8.280
35 H GLU 9 H GLU 9 7.752 -2.136 8.916
36 HA GLU 9 HA GLU 9 6.308 -1.182 11.261
37 HB2 GLU 9 1HB GLU 9 8.898 -1.035 10.766
38 HB3 GLU 9 2HB GLU 9 8.429 0.420 9.898
39 HG2 GLU 9 1HG GLU 9 7.723 1.499 11.816
40 HG3 GLU 9 2HG GLU 9 7.520 -0.007 12.709
41 H ALA 10 H ALA 10 6.477 -0.670 7.846
42 HA ALA 10 HA ALA 10 5.478 1.926 7.628
43 HB1 ALA 10 1HB ALA 10 5.402 -0.471 5.846
44 HB2 ALA 10 2HB ALA 10 4.508 0.985 5.406
45 HB3 ALA 10 3HB ALA 10 6.255 1.058 5.635
46 H TRP 11 H TRP 11 3.932 -0.967 8.642
47 HA TRP 11 HA TRP 11 1.293 -0.599 7.940
48 HB2 TRP 11 1HB TRP 11 2.676 -1.905 10.226
49 HB3 TRP 11 2HB TRP 11 0.945 -1.622 10.390
50 HD1 TRP 11 HD TRP 11 3.323 -4.095 9.070
51 HE1 TRP 11 1HE TRP 11 2.121 -5.814 7.577
52 HE3 TRP 11 3HE TRP 11 -1.131 -1.662 8.454
53 HZ2 TRP 11 2HZ TRP 11 -0.383 -6.100 6.307
54 HZ3 TRP 11 3HZ TRP 11 -2.877 -2.726 7.084
55 HH2 TRP 11 HH TRP 11 -2.508 -4.899 6.034
56 H GLU 12 H GLU 12 3.195 1.148 10.267
57 HA GLU 12 HA GLU 12 1.229 2.264 11.875
58 HB2 GLU 12 1HB GLU 12 2.805 4.008 12.388
59 HB3 GLU 12 2HB GLU 12 3.685 2.496 12.218
60 HG2 GLU 12 1HG GLU 12 4.222 3.185 9.868
61 HG3 GLU 12 2HG GLU 12 3.539 4.764 10.253
62 H TYR 13 H TYR 13 2.057 2.945 8.577
63 HA TYR 13 HA TYR 13 0.356 5.332 8.561
64 HB2 TYR 13 1HB TYR 13 2.048 4.255 6.302
65 HB3 TYR 13 2HB TYR 13 1.320 5.852 6.423
66 HD1 TYR 13 2HD TYR 13 3.983 3.663 7.732
67 HD2 TYR 13 1HD TYR 13 2.380 7.603 7.655
68 HE1 TYR 13 2HE TYR 13 6.042 4.514 8.772
69 HE2 TYR 13 1HE TYR 13 4.436 8.466 8.694
70 HH TYR 13 HH TYR 13 6.588 6.679 10.271
71 H PHE 14 H PHE 14 -0.471 2.393 8.654
72 HA PHE 14 HA PHE 14 -2.576 2.651 6.663
73 HB2 PHE 14 1HB PHE 14 -0.739 0.251 6.787
74 HB3 PHE 14 2HB PHE 14 -2.234 0.321 5.860
75 HD1 PHE 14 1HD PHE 14 1.160 1.732 6.174
76 HD2 PHE 14 2HD PHE 14 -2.317 1.368 3.746
77 HE1 PHE 14 1HE PHE 14 2.392 2.688 4.271
78 HE2 PHE 14 2HE PHE 14 -1.090 2.323 1.839
79 HZ PHE 14 HZ PHE 14 1.268 2.983 2.100
80 H HIS 15 H HIS 15 -4.363 1.178 7.029
81 HA HIS 15 HA HIS 15 -4.386 -0.164 9.627
82 HB2 HIS 15 1HB HIS 15 -6.088 1.058 10.547
83 HB3 HIS 15 2HB HIS 15 -5.354 2.320 9.561
84 HD1 HIS 15 1HD HIS 15 -8.020 -0.347 8.982
85 HD2 HIS 15 2HD HIS 15 -7.244 3.656 8.187
86 HE1 HIS 15 1HE HIS 15 -10.038 0.495 7.738
87 H LEU 16 H LEU 16 -5.364 -2.084 9.534
88 HA LEU 16 HA LEU 16 -6.344 -3.119 7.100
89 HB2 LEU 16 1HB LEU 16 -6.371 -4.094 9.933
90 HB3 LEU 16 2HB LEU 16 -7.191 -4.992 8.658
91 HG LEU 16 HG LEU 16 -4.244 -4.346 8.713
92 HD11 LEU 16 1HD1 LEU 16 -3.838 -6.316 9.710
93 HD12 LEU 16 2HD1 LEU 16 -5.161 -7.131 8.876
94 HD13 LEU 16 3HD1 LEU 16 -5.491 -6.148 10.303
95 HD21 LEU 16 1HD2 LEU 16 -5.973 -5.908 6.809
96 HD22 LEU 16 2HD2 LEU 16 -4.220 -6.094 6.888
97 HD23 LEU 16 3HD2 LEU 16 -4.924 -4.534 6.456
98 H ALA 17 H ALA 17 -8.424 -3.660 6.443
99 HA ALA 17 HA ALA 17 -10.522 -1.997 7.597
100 HB1 ALA 17 1HB ALA 17 -11.798 -2.605 5.574
101 HB2 ALA 17 2HB ALA 17 -10.235 -1.877 5.202
102 HB3 ALA 17 3HB ALA 17 -10.452 -3.621 5.057
103 HA PRO 18 HA PRO 18 -12.365 -5.360 9.788
104 HB2 PRO 18 1HB PRO 18 -14.806 -4.244 10.199
105 HB3 PRO 18 2HB PRO 18 -13.362 -3.752 11.092
106 HG2 PRO 18 1HG PRO 18 -14.661 -2.453 8.728
107 HG3 PRO 18 2HG PRO 18 -14.000 -1.704 10.193
108 HD2 PRO 18 1HD PRO 18 -12.648 -1.760 7.848
109 HD3 PRO 18 2HD PRO 18 -11.830 -1.817 9.423
110 H ALA 19 H ALA 19 -13.941 -6.985 9.531
111 HA ALA 19 HA ALA 19 -14.879 -7.283 6.788
112 HB1 ALA 19 1HB ALA 19 -13.889 -9.056 8.742
113 HB2 ALA 19 2HB ALA 19 -15.564 -9.515 8.433
114 HB3 ALA 19 3HB ALA 19 -14.413 -9.429 7.100
115 H ARG 20 H ARG 20 -16.691 -6.028 6.582
116 HA ARG 20 HA ARG 20 -18.750 -5.887 8.533
117 HB2 ARG 20 1HB ARG 20 -18.851 -5.213 5.587
118 HB3 ARG 20 2HB ARG 20 -20.038 -4.730 6.792
119 HG2 ARG 20 1HG ARG 20 -18.569 -3.232 7.813
120 HG3 ARG 20 2HG ARG 20 -17.155 -3.961 7.051
121 HD2 ARG 20 1HD ARG 20 -17.453 -2.018 5.823
122 HD3 ARG 20 2HD ARG 20 -18.266 -3.231 4.835
123 HE ARG 20 HE ARG 20 -20.086 -2.011 6.634
124 HH11 ARG 20 2HH1 ARG 20 -18.342 -1.450 3.673
125 HH12 ARG 20 1HH1 ARG 20 -19.503 -0.325 3.050
126 HH21 ARG 20 2HH2 ARG 20 -21.621 -0.531 5.824
127 HH22 ARG 20 1HH2 ARG 20 -21.367 0.198 4.275
128 H ALA 21 H ALA 21 -18.830 -8.310 8.787
129 HA ALA 21 HA ALA 21 -19.716 -10.388 8.328
130 HB1 ALA 21 1HB ALA 21 -21.694 -9.965 9.259
131 HB2 ALA 21 2HB ALA 21 -21.781 -8.361 8.531
132 HB3 ALA 21 3HB ALA 21 -22.316 -9.773 7.620
133 H GLY 22 H GLY 22 -18.292 -9.559 6.105
134 HA2 GLY 22 1HA GLY 22 -19.575 -11.097 4.052
135 HA3 GLY 22 2HA GLY 22 -19.517 -9.385 3.663
136 H HIS 23 H HIS 23 -17.555 -8.415 3.173
137 HA HIS 23 HA HIS 23 -15.642 -9.999 1.894
138 HB2 HIS 23 1HB HIS 23 -15.477 -7.156 2.905
139 HB3 HIS 23 2HB HIS 23 -14.244 -7.906 1.896
140 HD1 HIS 23 1HD HIS 23 -14.581 -7.735 -0.562
141 HD2 HIS 23 2HD HIS 23 -18.083 -7.012 1.554
142 HE1 HIS 23 1HE HIS 23 -16.268 -7.007 -2.281
143 H HIS 24 H HIS 24 -14.322 -11.411 2.825
144 HA HIS 24 HA HIS 24 -13.702 -11.757 5.441
145 HB2 HIS 24 1HB HIS 24 -13.039 -13.324 3.665
146 HB3 HIS 24 2HB HIS 24 -11.803 -12.192 3.125
147 HD1 HIS 24 1HD HIS 24 -9.727 -11.876 4.704
148 HD2 HIS 24 2HD HIS 24 -12.346 -14.898 5.830
149 HE1 HIS 24 1HE HIS 24 -8.473 -13.259 6.389
150 HA PRO 25 HA PRO 25 -11.292 -8.304 6.736
151 HB2 PRO 25 1HB PRO 25 -10.130 -9.414 8.924
152 HB3 PRO 25 2HB PRO 25 -11.830 -8.931 8.880
153 HG2 PRO 25 1HG PRO 25 -10.624 -11.648 8.528
154 HG3 PRO 25 2HG PRO 25 -12.061 -11.173 9.452
155 HD2 PRO 25 1HD PRO 25 -12.215 -12.289 6.989
156 HD3 PRO 25 2HD PRO 25 -13.398 -11.102 7.575
157 H ASN 26 H ASN 26 -8.954 -7.905 7.561
158 HA ASN 26 HA ASN 26 -6.770 -7.756 6.918
159 HB2 ASN 26 1HB ASN 26 -7.251 -10.682 7.328
160 HB3 ASN 26 2HB ASN 26 -5.689 -10.148 6.713
161 HD21 ASN 26 1HD2 ASN 26 -4.217 -9.462 8.114
162 HD22 ASN 26 2HD2 ASN 26 -4.502 -9.143 9.788
163 H GLN 27 H GLN 27 -8.614 -7.555 4.779
164 HA GLN 27 HA GLN 27 -7.460 -9.077 2.581
165 HB2 GLN 27 1HB GLN 27 -9.955 -8.641 2.855
166 HB3 GLN 27 2HB GLN 27 -9.616 -6.978 2.395
167 HG2 GLN 27 1HG GLN 27 -10.220 -7.884 0.385
168 HG3 GLN 27 2HG GLN 27 -8.469 -8.078 0.332
169 HE21 GLN 27 1HE2 GLN 27 -11.281 -9.583 -0.300
170 HE22 GLN 27 2HE2 GLN 27 -10.788 -11.231 -0.145
171 H TYR 28 H TYR 28 -8.353 -5.640 2.863
172 HA TYR 28 HA TYR 28 -5.820 -4.978 1.510
173 HB2 TYR 28 1HB TYR 28 -8.591 -3.916 1.194
174 HB3 TYR 28 2HB TYR 28 -7.244 -2.809 0.954
175 HD1 TYR 28 2HD TYR 28 -7.365 -6.419 0.094
176 HD2 TYR 28 1HD TYR 28 -7.348 -2.421 -1.361
177 HE1 TYR 28 2HE TYR 28 -7.088 -7.262 -2.200
178 HE2 TYR 28 1HE TYR 28 -7.072 -3.253 -3.660
179 HH TYR 28 HH TYR 28 -6.053 -6.201 -4.438
180 H ALA 29 H ALA 29 -4.961 -2.803 2.009
181 HA ALA 29 HA ALA 29 -5.436 -2.124 4.837
182 HB1 ALA 29 1HB ALA 29 -3.072 -2.892 3.603
183 HB2 ALA 29 2HB ALA 29 -2.927 -1.144 3.784
184 HB3 ALA 29 3HB ALA 29 -3.241 -2.153 5.196
185 H THR 30 H THR 30 -5.763 -0.022 5.417
186 HA THR 30 HA THR 30 -6.182 1.869 3.209
187 HB THR 30 HB THR 30 -7.207 2.107 6.042
188 HG1 THR 30 1HG THR 30 -7.984 0.257 4.640
189 HG21 THR 30 1HG2 THR 30 -8.238 4.010 5.407
190 HG22 THR 30 2HG2 THR 30 -8.617 3.387 3.801
191 HG23 THR 30 3HG2 THR 30 -7.014 4.038 4.139
192 H CYS 31 H CYS 31 -4.653 3.336 2.894
193 HA CYS 31 HA CYS 31 -2.526 3.816 4.675
194 HB2 CYS 31 1HB CYS 31 -2.659 4.211 2.123
195 HB3 CYS 31 2HB CYS 31 -3.369 5.765 2.545
196 H ARG 32 H ARG 32 -2.464 4.986 6.467
197 HA ARG 32 HA ARG 32 -4.677 6.694 7.181
198 HB2 ARG 32 1HB ARG 32 -2.114 6.029 8.640
199 HB3 ARG 32 2HB ARG 32 -3.428 6.984 9.313
200 HG2 ARG 32 1HG ARG 32 -4.922 5.088 9.178
201 HG3 ARG 32 2HG ARG 32 -3.663 4.124 8.404
202 HD2 ARG 32 1HD ARG 32 -2.352 4.082 10.364
203 HD3 ARG 32 2HD ARG 32 -3.294 5.369 11.114
204 HE ARG 32 HE ARG 32 -3.932 2.560 11.043
205 HH11 ARG 32 2HH1 ARG 32 -5.168 5.789 11.447
206 HH12 ARG 32 1HH1 ARG 32 -6.561 5.284 12.345
207 HH21 ARG 32 2HH2 ARG 32 -5.762 1.882 12.224
208 HH22 ARG 32 1HH2 ARG 32 -6.898 3.061 12.787
209 H LEU 33 H LEU 33 -1.973 7.143 5.352
210 HA LEU 33 HA LEU 33 -1.375 9.838 6.268
211 HB2 LEU 33 1HB LEU 33 -0.225 8.047 4.153
212 HB3 LEU 33 2HB LEU 33 0.204 9.754 4.252
213 HG LEU 33 HG LEU 33 0.648 7.736 6.450
214 HD11 LEU 33 1HD1 LEU 33 2.203 8.425 4.078
215 HD12 LEU 33 2HD1 LEU 33 2.337 7.042 5.164
216 HD13 LEU 33 3HD1 LEU 33 3.105 8.572 5.587
217 HD21 LEU 33 1HD2 LEU 33 2.269 10.096 6.564
218 HD22 LEU 33 2HD2 LEU 33 1.143 9.456 7.762
219 HD23 LEU 33 3HD2 LEU 33 0.564 10.543 6.499
220 H CYS 34 H CYS 34 -2.441 8.295 3.235
221 HA CYS 34 HA CYS 34 -3.545 10.886 2.391
222 HB2 CYS 34 1HB CYS 34 -3.534 9.963 0.113
223 HB3 CYS 34 2HB CYS 34 -1.929 9.909 0.835
224 H GLY 35 H GLY 35 -4.310 7.438 2.670
225 HA2 GLY 35 1HA GLY 35 -6.492 6.821 3.548
226 HA3 GLY 35 2HA GLY 35 -7.166 8.182 2.663
227 H ARG 36 H ARG 36 -4.775 6.141 1.185
228 HA ARG 36 HA ARG 36 -6.772 5.282 -0.765
229 HB2 ARG 36 1HB ARG 36 -3.783 5.456 -0.749
230 HB3 ARG 36 2HB ARG 36 -4.579 4.377 -1.886
231 HG2 ARG 36 1HG ARG 36 -5.992 6.497 -2.460
232 HG3 ARG 36 2HG ARG 36 -4.621 7.351 -1.749
233 HD2 ARG 36 1HD ARG 36 -4.273 7.177 -4.117
234 HD3 ARG 36 2HD ARG 36 -3.122 6.121 -3.299
235 HE ARG 36 HE ARG 36 -5.103 4.419 -3.838
236 HH11 ARG 36 2HH1 ARG 36 -3.536 6.808 -5.828
237 HH12 ARG 36 1HH1 ARG 36 -3.780 5.930 -7.302
238 HH21 ARG 36 2HH2 ARG 36 -5.430 3.254 -5.772
239 HH22 ARG 36 1HH2 ARG 36 -4.858 3.909 -7.269
240 H GLN 37 H GLN 37 -6.285 2.997 -1.703
241 HA GLN 37 HA GLN 37 -6.142 1.149 0.583
242 HB2 GLN 37 1HB GLN 37 -7.431 0.645 -2.101
243 HB3 GLN 37 2HB GLN 37 -7.555 -0.354 -0.659
244 HG2 GLN 37 1HG GLN 37 -8.461 2.466 -0.486
245 HG3 GLN 37 2HG GLN 37 -9.464 1.317 -1.370
246 HE21 GLN 37 1HE2 GLN 37 -9.928 2.748 1.159
247 HE22 GLN 37 2HE2 GLN 37 -10.273 1.524 2.328
248 H VAL 38 H VAL 38 -4.518 -0.254 0.684
249 HA VAL 38 HA VAL 38 -3.118 -1.000 -1.789
250 HB VAL 38 HB VAL 38 -1.713 -0.249 0.778
251 HG11 VAL 38 1HG1 VAL 38 -0.180 -0.453 -1.705
252 HG12 VAL 38 2HG1 VAL 38 0.188 -1.061 -0.090
253 HG13 VAL 38 3HG1 VAL 38 -0.872 -1.980 -1.159
254 HG21 VAL 38 1HG2 VAL 38 -2.385 1.797 -0.097
255 HG22 VAL 38 2HG2 VAL 38 -0.772 1.583 -0.778
256 HG23 VAL 38 3HG2 VAL 38 -2.196 1.257 -1.766
257 H SER 39 H SER 39 -3.395 -3.121 -1.971
258 HA SER 39 HA SER 39 -3.661 -4.786 0.399
259 HB2 SER 39 1HB SER 39 -4.431 -6.506 -1.066
260 HB3 SER 39 2HB SER 39 -5.159 -5.006 -1.641
261 HG SER 39 HG SER 39 -3.366 -6.669 -2.872
262 H ARG 40 H ARG 40 -2.393 -6.678 0.749
263 HA ARG 40 HA ARG 40 0.323 -6.455 -0.367
264 HB2 ARG 40 1HB ARG 40 1.051 -7.648 1.699
265 HB3 ARG 40 2HB ARG 40 0.330 -6.074 2.006
266 HG2 ARG 40 1HG ARG 40 -1.757 -7.133 2.656
267 HG3 ARG 40 2HG ARG 40 -1.075 -8.721 2.297
268 HD2 ARG 40 1HD ARG 40 0.386 -6.956 4.192
269 HD3 ARG 40 2HD ARG 40 -1.096 -7.730 4.751
270 HE ARG 40 HE ARG 40 0.766 -9.528 3.491
271 HH11 ARG 40 2HH1 ARG 40 -0.205 -8.014 6.472
272 HH12 ARG 40 1HH1 ARG 40 0.502 -9.237 7.475
273 HH21 ARG 40 2HH2 ARG 40 1.701 -11.144 4.801
274 HH22 ARG 40 1HH2 ARG 40 1.587 -11.016 6.524
275 H GLY 41 H GLY 41 -2.121 -8.803 0.710
276 HA2 GLY 41 1HA GLY 41 -2.636 -10.629 -0.853
277 HA3 GLY 41 2HA GLY 41 -0.909 -10.743 -1.161
278 HA PRO 42 HA PRO 42 -2.354 -13.670 2.286
279 HB2 PRO 42 1HB PRO 42 -2.122 -16.000 0.912
280 HB3 PRO 42 2HB PRO 42 -3.619 -15.061 0.965
281 HG2 PRO 42 1HG PRO 42 -1.520 -15.161 -1.167
282 HG3 PRO 42 2HG PRO 42 -3.285 -15.163 -1.334
283 HD2 PRO 42 1HD PRO 42 -1.789 -12.937 -1.706
284 HD3 PRO 42 2HD PRO 42 -3.440 -12.880 -1.056
285 H GLY 43 H GLY 43 0.299 -12.944 0.420
286 HA2 GLY 43 1HA GLY 43 2.043 -14.479 2.216
287 HA3 GLY 43 2HA GLY 43 2.290 -14.619 0.482
288 H VAL 44 H VAL 44 2.553 -12.459 -0.670
289 HA VAL 44 HA VAL 44 4.027 -10.741 -1.023
290 HB VAL 44 HB VAL 44 2.072 -9.644 0.104
291 HG11 VAL 44 1HG1 VAL 44 3.781 -10.168 2.498
292 HG12 VAL 44 2HG1 VAL 44 2.731 -8.751 2.459
293 HG13 VAL 44 3HG1 VAL 44 2.041 -10.366 2.297
294 HG21 VAL 44 1HG2 VAL 44 3.296 -7.948 -0.705
295 HG22 VAL 44 2HG2 VAL 44 3.764 -7.689 0.976
296 HG23 VAL 44 3HG2 VAL 44 4.808 -8.621 -0.097
297 H ASN 45 H ASN 45 5.137 -13.017 0.417
298 HA ASN 45 HA ASN 45 6.901 -11.928 2.427
299 HB2 ASN 45 1HB ASN 45 5.897 -14.356 2.222
300 HB3 ASN 45 2HB ASN 45 7.308 -14.629 1.204
301 HD21 ASN 45 1HD2 ASN 45 6.592 -12.988 4.273
302 HD22 ASN 45 2HD2 ASN 45 7.916 -13.677 5.143
303 H VAL 46 H VAL 46 7.899 -10.304 1.064
304 HA VAL 46 HA VAL 46 10.072 -11.438 -0.571
305 HB VAL 46 HB VAL 46 9.962 -9.469 -2.038
306 HG11 VAL 46 1HG1 VAL 46 8.043 -11.590 -1.886
307 HG12 VAL 46 2HG1 VAL 46 7.287 -10.150 -2.570
308 HG13 VAL 46 3HG1 VAL 46 8.742 -10.819 -3.310
309 HG21 VAL 46 1HG2 VAL 46 7.566 -8.774 -0.351
310 HG22 VAL 46 2HG2 VAL 46 9.020 -7.811 -0.616
311 HG23 VAL 46 3HG2 VAL 46 7.878 -8.063 -1.935
312 H GLY 47 H GLY 47 8.980 -8.644 1.331
313 HA2 GLY 47 1HA GLY 47 10.920 -8.312 3.104
314 HA3 GLY 47 2HA GLY 47 11.738 -7.746 1.655
315 H THR 48 H THR 48 10.393 -6.086 0.372
316 HA THR 48 HA THR 48 9.778 -3.939 2.202
317 HB THR 48 HB THR 48 9.667 -3.944 -0.820
318 HG1 THR 48 1HG THR 48 11.767 -4.299 0.548
319 HG21 THR 48 1HG2 THR 48 9.598 -1.752 1.243
320 HG22 THR 48 2HG2 THR 48 8.427 -2.088 -0.032
321 HG23 THR 48 3HG2 THR 48 10.022 -1.457 -0.442
322 H THR 49 H THR 49 7.853 -4.676 3.185
323 HA THR 49 HA THR 49 5.577 -5.690 2.210
324 HB THR 49 HB THR 49 5.373 -3.243 3.948
325 HG1 THR 49 1HG THR 49 6.358 -5.824 4.637
326 HG21 THR 49 1HG2 THR 49 3.276 -3.971 4.146
327 HG22 THR 49 2HG2 THR 49 3.895 -5.422 4.935
328 HG23 THR 49 3HG2 THR 49 3.642 -5.406 3.190
329 H ALA 50 H ALA 50 4.064 -5.218 0.745
330 HA ALA 50 HA ALA 50 4.211 -3.461 -1.260
331 HB1 ALA 50 1HB ALA 50 2.194 -5.089 -0.232
332 HB2 ALA 50 2HB ALA 50 1.459 -3.495 -0.406
333 HB3 ALA 50 3HB ALA 50 2.215 -4.274 -1.796
334 H LEU 51 H LEU 51 3.062 -2.692 1.976
335 HA LEU 51 HA LEU 51 2.000 -0.161 1.512
336 HB2 LEU 51 1HB LEU 51 3.552 -0.939 3.968
337 HB3 LEU 51 2HB LEU 51 2.253 0.245 3.842
338 HG LEU 51 HG LEU 51 1.873 -2.721 3.451
339 HD11 LEU 51 1HD1 LEU 51 1.933 -1.048 5.889
340 HD12 LEU 51 2HD1 LEU 51 2.302 -2.759 5.673
341 HD13 LEU 51 3HD1 LEU 51 0.624 -2.223 5.756
342 HD21 LEU 51 1HD2 LEU 51 -0.524 -1.745 4.148
343 HD22 LEU 51 2HD2 LEU 51 0.015 -1.880 2.474
344 HD23 LEU 51 3HD2 LEU 51 0.135 -0.335 3.319
345 H TRP 52 H TRP 52 5.305 -0.994 2.562
346 HA TRP 52 HA TRP 52 6.434 1.493 2.662
347 HB2 TRP 52 1HB TRP 52 7.575 -1.147 1.771
348 HB3 TRP 52 2HB TRP 52 8.569 0.306 1.840
349 HD1 TRP 52 HD TRP 52 7.349 -2.488 3.956
350 HE1 TRP 52 1HE TRP 52 7.985 -2.089 6.417
351 HE3 TRP 52 3HE TRP 52 8.780 2.410 3.640
352 HZ2 TRP 52 2HZ TRP 52 8.964 0.024 8.014
353 HZ3 TRP 52 3HZ TRP 52 9.553 3.547 5.680
354 HH2 TRP 52 HH TRP 52 9.642 2.377 7.821
355 H LYS 53 H LYS 53 6.301 -0.585 -0.234
356 HA LYS 53 HA LYS 53 7.508 1.025 -2.076
357 HB2 LYS 53 1HB LYS 53 5.162 -0.837 -2.314
358 HB3 LYS 53 2HB LYS 53 5.754 0.044 -3.716
359 HG2 LYS 53 1HG LYS 53 7.770 -1.092 -3.743
360 HG3 LYS 53 2HG LYS 53 7.633 -1.577 -2.051
361 HD2 LYS 53 1HD LYS 53 5.818 -3.102 -2.624
362 HD3 LYS 53 2HD LYS 53 5.911 -2.595 -4.312
363 HE2 LYS 53 1HE LYS 53 7.974 -3.632 -4.632
364 HE3 LYS 53 2HE LYS 53 8.310 -3.709 -2.904
365 HZ1 LYS 53 1HZ LYS 53 7.303 -5.726 -4.438
366 HZ2 LYS 53 2HZ LYS 53 5.944 -5.146 -3.615
367 HZ3 LYS 53 3HZ LYS 53 7.299 -5.668 -2.747
368 H HIS 54 H HIS 54 4.141 1.219 -0.986
369 HA HIS 54 HA HIS 54 3.406 3.340 -2.719
370 HB2 HIS 54 1HB HIS 54 1.713 1.914 -1.718
371 HB3 HIS 54 2HB HIS 54 2.196 2.423 -0.103
372 HD1 HIS 54 1HD HIS 54 0.858 4.057 -3.272
373 HD2 HIS 54 2HD HIS 54 0.669 4.432 0.861
374 HE1 HIS 54 1HE HIS 54 -0.776 5.919 -2.840
375 H LEU 55 H LEU 55 4.515 3.241 0.645
376 HA LEU 55 HA LEU 55 4.235 5.970 1.214
377 HB2 LEU 55 1HB LEU 55 6.176 3.935 2.295
378 HB3 LEU 55 2HB LEU 55 5.960 5.550 2.967
379 HG LEU 55 HG LEU 55 3.702 3.572 2.785
380 HD11 LEU 55 1HD1 LEU 55 5.657 3.965 5.045
381 HD12 LEU 55 2HD1 LEU 55 5.442 2.507 4.077
382 HD13 LEU 55 3HD1 LEU 55 4.153 3.051 5.150
383 HD21 LEU 55 1HD2 LEU 55 3.208 5.113 4.921
384 HD22 LEU 55 2HD2 LEU 55 2.673 5.522 3.291
385 HD23 LEU 55 3HD2 LEU 55 4.138 6.253 3.948
386 H LYS 56 H LYS 56 7.030 4.149 -0.010
387 HA LYS 56 HA LYS 56 8.668 6.487 -0.262
388 HB2 LYS 56 1HB LYS 56 9.099 3.811 -1.590
389 HB3 LYS 56 2HB LYS 56 10.310 5.034 -1.228
390 HG2 LYS 56 1HG LYS 56 10.452 4.447 0.963
391 HG3 LYS 56 2HG LYS 56 8.771 3.916 1.045
392 HD2 LYS 56 1HD LYS 56 9.786 1.879 1.114
393 HD3 LYS 56 2HD LYS 56 9.683 2.069 -0.638
394 HE2 LYS 56 1HE LYS 56 11.995 3.133 -0.488
395 HE3 LYS 56 2HE LYS 56 12.058 2.495 1.155
396 HZ1 LYS 56 1HZ LYS 56 12.382 0.422 0.419
397 HZ2 LYS 56 2HZ LYS 56 12.854 1.156 -1.029
398 HZ3 LYS 56 3HZ LYS 56 11.277 0.571 -0.853
399 H SER 57 H SER 57 6.120 5.265 -2.054
400 HA SER 57 HA SER 57 7.084 6.101 -4.653
401 HB2 SER 57 1HB SER 57 5.598 4.174 -4.531
402 HB3 SER 57 2HB SER 57 4.356 5.148 -3.745
403 HG SER 57 HG SER 57 4.077 6.293 -5.623
404 H MET 58 H MET 58 4.835 7.258 -2.190
405 HA MET 58 HA MET 58 4.755 9.844 -3.596
406 HB2 MET 58 1HB MET 58 2.454 10.157 -2.906
407 HB3 MET 58 2HB MET 58 2.596 8.654 -3.807
408 HG2 MET 58 1HG MET 58 2.288 7.344 -1.925
409 HG3 MET 58 2HG MET 58 2.738 8.644 -0.825
410 HE1 MET 58 1HE MET 58 -1.046 9.300 -3.295
411 HE2 MET 58 2HE MET 58 0.627 9.282 -3.852
412 HE3 MET 58 3HE MET 58 -0.216 7.764 -3.541
413 H HIS 59 H HIS 59 4.742 8.110 -0.545
414 HA HIS 59 HA HIS 59 4.973 10.595 0.966
415 HB2 HIS 59 1HB HIS 59 4.884 7.727 1.927
416 HB3 HIS 59 2HB HIS 59 4.845 9.157 2.955
417 HD1 HIS 59 1HD HIS 59 2.692 10.817 2.324
418 HD2 HIS 59 2HD HIS 59 2.420 6.785 1.359
419 HE1 HIS 59 1HE HIS 59 0.237 10.360 2.028
420 H ARG 60 H ARG 60 7.078 9.406 -0.881
421 HA ARG 60 HA ARG 60 9.246 8.354 0.418
422 HB2 ARG 60 1HB ARG 60 9.290 8.658 -1.963
423 HB3 ARG 60 2HB ARG 60 9.168 10.404 -1.795
424 HG2 ARG 60 1HG ARG 60 11.402 10.248 -0.551
425 HG3 ARG 60 2HG ARG 60 11.511 8.626 -1.238
426 HD2 ARG 60 1HD ARG 60 12.675 10.133 -2.688
427 HD3 ARG 60 2HD ARG 60 11.189 9.629 -3.492
428 HE ARG 60 HE ARG 60 10.432 11.915 -2.323
429 HH11 ARG 60 2HH1 ARG 60 13.221 11.113 -4.247
430 HH12 ARG 60 1HH1 ARG 60 13.388 12.707 -4.904
431 HH21 ARG 60 2HH2 ARG 60 10.642 14.018 -3.182
432 HH22 ARG 60 1HH2 ARG 60 11.922 14.359 -4.297
433 H GLU 61 H GLU 61 8.155 11.700 0.401
434 HA GLU 61 HA GLU 61 10.445 12.752 1.730
435 HB2 GLU 61 1HB GLU 61 7.653 13.819 1.324
436 HB3 GLU 61 2HB GLU 61 8.907 14.723 2.161
437 HG2 GLU 61 1HG GLU 61 9.400 13.664 -0.586
438 HG3 GLU 61 2HG GLU 61 8.479 15.149 -0.353
439 H GLU 62 H GLU 62 7.190 11.833 2.818
440 HA GLU 62 HA GLU 62 7.428 12.554 5.492
441 HB2 GLU 62 1HB GLU 62 5.768 10.603 3.981
442 HB3 GLU 62 2HB GLU 62 5.822 10.430 5.730
443 HG2 GLU 62 1HG GLU 62 3.929 11.799 4.861
444 HG3 GLU 62 2HG GLU 62 4.938 12.603 6.062
445 H LEU 63 H LEU 63 8.635 9.748 3.791
446 HA LEU 63 HA LEU 63 9.327 8.282 6.156
447 HB2 LEU 63 1HB LEU 63 10.311 7.933 3.329
448 HB3 LEU 63 2HB LEU 63 10.478 6.769 4.641
449 HG LEU 63 HG LEU 63 7.860 7.643 3.420
450 HD11 LEU 63 1HD1 LEU 63 9.819 5.767 2.517
451 HD12 LEU 63 2HD1 LEU 63 8.267 6.192 1.796
452 HD13 LEU 63 3HD1 LEU 63 8.357 4.908 3.001
453 HD21 LEU 63 1HD2 LEU 63 8.527 5.503 5.439
454 HD22 LEU 63 2HD2 LEU 63 6.950 5.735 4.684
455 HD23 LEU 63 3HD2 LEU 63 7.616 6.984 5.737
456 H GLU 64 H GLU 64 11.258 9.951 3.663
457 HA GLU 64 HA GLU 64 13.746 9.666 4.867
458 HB2 GLU 64 1HB GLU 64 12.733 11.949 3.163
459 HB3 GLU 64 2HB GLU 64 14.424 11.641 3.533
460 HG2 GLU 64 1HG GLU 64 12.719 9.574 2.197
461 HG3 GLU 64 2HG GLU 64 13.512 10.853 1.279
462 H LYS 65 H LYS 65 11.478 12.401 5.120
463 HA LYS 65 HA LYS 65 12.880 14.063 6.784
464 HB2 LYS 65 1HB LYS 65 10.806 15.035 7.429
465 HB3 LYS 65 2HB LYS 65 10.603 14.469 5.776
466 HG2 LYS 65 1HG LYS 65 9.254 12.679 6.429
467 HG3 LYS 65 2HG LYS 65 9.766 12.792 8.114
468 HD2 LYS 65 1HD LYS 65 8.678 15.110 8.095
469 HD3 LYS 65 2HD LYS 65 7.912 14.600 6.589
470 HE2 LYS 65 1HE LYS 65 6.877 12.723 7.716
471 HE3 LYS 65 2HE LYS 65 7.713 13.127 9.214
472 HZ1 LYS 65 1HZ LYS 65 5.399 14.401 7.975
473 HZ2 LYS 65 2HZ LYS 65 6.488 15.412 8.783
474 HZ3 LYS 65 3HZ LYS 65 5.743 14.138 9.611
475 H SER 66 H SER 66 11.249 11.078 7.598
476 HA SER 66 HA SER 66 11.672 11.481 10.449
477 HB2 SER 66 1HB SER 66 9.643 10.289 9.226
478 HB3 SER 66 2HB SER 66 10.703 8.884 9.333
479 HG SER 66 HG SER 66 9.161 9.452 11.163
480 H GLY 67 H GLY 67 12.341 8.709 8.303
481 HA2 GLY 67 1HA GLY 67 14.971 8.434 8.255
482 HA3 GLY 67 2HA GLY 67 14.667 8.058 9.944
483 H HIS 68 H HIS 68 12.559 7.223 7.250
484 HA HIS 68 HA HIS 68 13.206 4.386 7.719
485 HB2 HIS 68 1HB HIS 68 10.515 5.598 7.057
486 HB3 HIS 68 2HB HIS 68 10.844 3.872 7.172
487 HD1 HIS 68 1HD HIS 68 12.212 3.474 9.730
488 HD2 HIS 68 2HD HIS 68 9.245 6.351 9.307
489 HE1 HIS 68 1HE HIS 68 11.363 3.910 12.057
490 H GLY 69 H GLY 69 14.540 5.960 5.813
491 HA2 GLY 69 1HA GLY 69 13.322 5.506 3.229
492 HA3 GLY 69 2HA GLY 69 14.904 6.208 3.530
493 H GLN 70 H GLN 70 16.364 4.411 4.740
494 HA GLN 70 HA GLN 70 16.580 2.286 2.772
495 HB2 GLN 70 1HB GLN 70 18.401 2.985 5.082
496 HB3 GLN 70 2HB GLN 70 18.757 1.836 3.799
497 HG2 GLN 70 1HG GLN 70 18.086 4.628 3.044
498 HG3 GLN 70 2HG GLN 70 19.671 4.300 3.743
499 HE21 GLN 70 1HE2 GLN 70 19.392 5.259 1.180
500 HE22 GLN 70 2HE2 GLN 70 19.877 4.041 0.055
501 H SER 71 H SER 71 14.698 1.099 3.437
502 HA SER 71 HA SER 71 14.961 -0.291 6.012
503 HB2 SER 71 1HB SER 71 12.609 -0.827 5.824
504 HB3 SER 71 2HB SER 71 12.814 0.899 5.526
505 HG SER 71 HG SER 71 11.997 0.606 3.623
506 H GLY 72 H GLY 72 14.380 -0.873 2.560
507 HA2 GLY 72 1HA GLY 72 14.371 -3.709 2.767
508 HA3 GLY 72 2HA GLY 72 14.573 -2.780 1.289
509 HA PRO 73 HA PRO 73 18.737 -4.334 3.270
510 HB2 PRO 73 1HB PRO 73 18.676 -7.040 3.055
511 HB3 PRO 73 2HB PRO 73 18.170 -6.180 4.515
512 HG2 PRO 73 1HG PRO 73 16.496 -7.316 2.308
513 HG3 PRO 73 2HG PRO 73 16.233 -7.384 4.060
514 HD2 PRO 73 1HD PRO 73 14.934 -5.628 2.459
515 HD3 PRO 73 2HD PRO 73 15.365 -5.251 4.140
516 H SER 74 H SER 74 17.001 -6.197 0.771
517 HA SER 74 HA SER 74 19.353 -6.432 -0.866
518 HB2 SER 74 1HB SER 74 17.752 -8.234 -0.933
519 HB3 SER 74 2HB SER 74 16.452 -7.126 -1.373
520 HG SER 74 HG SER 74 17.817 -8.465 -3.041
521 H SER 75 H SER 75 19.658 -5.523 -2.939
522 HA SER 75 HA SER 75 18.087 -3.081 -3.444
523 HB2 SER 75 1HB SER 75 21.062 -3.516 -3.529
524 HB3 SER 75 2HB SER 75 20.311 -2.237 -4.483
525 HG SER 75 HG SER 75 19.368 -1.502 -2.467
526 H GLY 76 H GLY 76 16.761 -4.188 -4.931
527 HA2 GLY 76 1HA GLY 76 17.136 -3.948 -7.554
528 HA3 GLY 76 2HA GLY 76 18.019 -5.435 -7.244
Start of MODEL 12
1 H1 GLY 1 H GLY 1 20.203 -11.874 7.624
2 HA2 GLY 1 1HA GLY 1 18.305 -12.911 8.498
3 HA3 GLY 1 2HA GLY 1 19.562 -13.867 9.267
4 H SER 2 H SER 2 18.104 -14.250 11.013
5 HA SER 2 HA SER 2 17.014 -13.790 12.979
6 HB2 SER 2 1HB SER 2 18.445 -12.756 14.644
7 HB3 SER 2 2HB SER 2 19.432 -13.774 13.594
8 HG SER 2 HG SER 2 19.291 -10.974 13.746
9 H SER 3 H SER 3 15.979 -12.230 10.933
10 HA SER 3 HA SER 3 15.861 -9.471 11.684
11 HB2 SER 3 1HB SER 3 14.106 -9.311 9.950
12 HB3 SER 3 2HB SER 3 15.542 -10.143 9.353
13 HG SER 3 HG SER 3 14.467 -11.998 9.290
14 H GLY 4 H GLY 4 14.884 -8.832 13.490
15 HA2 GLY 4 1HA GLY 4 12.757 -10.371 14.689
16 HA3 GLY 4 2HA GLY 4 13.447 -8.879 15.310
17 H SER 5 H SER 5 12.034 -7.281 15.421
18 HA SER 5 HA SER 5 9.778 -7.261 13.537
19 HB2 SER 5 1HB SER 5 10.111 -6.035 16.279
20 HB3 SER 5 2HB SER 5 8.741 -5.687 15.226
21 HG SER 5 HG SER 5 7.894 -7.457 15.945
22 H SER 6 H SER 6 12.212 -6.359 12.568
23 HA SER 6 HA SER 6 11.913 -3.430 12.549
24 HB2 SER 6 1HB SER 6 14.248 -3.388 11.695
25 HB3 SER 6 2HB SER 6 14.120 -4.150 13.280
26 HG SER 6 HG SER 6 15.010 -5.189 10.953
27 H GLY 7 H GLY 7 10.302 -3.273 10.992
28 HA2 GLY 7 1HA GLY 7 10.895 -2.830 8.404
29 HA3 GLY 7 2HA GLY 7 10.635 -4.568 8.421
30 H SER 8 H SER 8 8.591 -4.299 10.566
31 HA SER 8 HA SER 8 6.348 -3.821 8.804
32 HB2 SER 8 1HB SER 8 4.993 -4.801 10.527
33 HB3 SER 8 2HB SER 8 6.470 -5.758 10.416
34 HG SER 8 HG SER 8 6.588 -5.383 12.481
35 H GLU 9 H GLU 9 7.894 -1.508 9.453
36 HA GLU 9 HA GLU 9 6.415 0.002 11.421
37 HB2 GLU 9 1HB GLU 9 8.799 0.469 9.708
38 HB3 GLU 9 2HB GLU 9 7.895 1.885 10.228
39 HG2 GLU 9 1HG GLU 9 8.227 1.333 12.531
40 HG3 GLU 9 2HG GLU 9 8.953 -0.215 12.102
41 H ALA 10 H ALA 10 6.651 -0.172 7.908
42 HA ALA 10 HA ALA 10 5.267 2.060 7.121
43 HB1 ALA 10 1HB ALA 10 5.049 -0.701 5.927
44 HB2 ALA 10 2HB ALA 10 4.603 0.807 5.128
45 HB3 ALA 10 3HB ALA 10 6.287 0.499 5.553
46 H TRP 11 H TRP 11 3.995 -0.885 8.534
47 HA TRP 11 HA TRP 11 1.306 -0.663 7.935
48 HB2 TRP 11 1HB TRP 11 2.830 -1.828 10.224
49 HB3 TRP 11 2HB TRP 11 1.079 -1.694 10.365
50 HD1 TRP 11 HD TRP 11 3.593 -4.076 9.297
51 HE1 TRP 11 1HE TRP 11 2.596 -5.879 7.755
52 HE3 TRP 11 3HE TRP 11 -0.844 -1.808 8.158
53 HZ2 TRP 11 2HZ TRP 11 0.241 -6.286 6.253
54 HZ3 TRP 11 3HZ TRP 11 -2.413 -2.971 6.661
55 HH2 TRP 11 HH TRP 11 -1.880 -5.163 5.729
56 H GLU 12 H GLU 12 3.217 1.119 10.263
57 HA GLU 12 HA GLU 12 1.195 2.206 11.840
58 HB2 GLU 12 1HB GLU 12 3.797 3.487 10.986
59 HB3 GLU 12 2HB GLU 12 2.785 4.034 12.316
60 HG2 GLU 12 1HG GLU 12 3.103 1.749 13.336
61 HG3 GLU 12 2HG GLU 12 4.337 1.472 12.107
62 H TYR 13 H TYR 13 1.823 2.679 8.550
63 HA TYR 13 HA TYR 13 0.290 5.193 8.523
64 HB2 TYR 13 1HB TYR 13 1.994 4.073 6.293
65 HB3 TYR 13 2HB TYR 13 1.278 5.679 6.382
66 HD1 TYR 13 2HD TYR 13 3.980 3.518 7.583
67 HD2 TYR 13 1HD TYR 13 2.258 7.404 7.783
68 HE1 TYR 13 2HE TYR 13 6.031 4.366 8.642
69 HE2 TYR 13 1HE TYR 13 4.306 8.263 8.841
70 HH TYR 13 HH TYR 13 6.237 7.157 10.281
71 H PHE 14 H PHE 14 -0.592 2.270 8.618
72 HA PHE 14 HA PHE 14 -2.686 2.565 6.624
73 HB2 PHE 14 1HB PHE 14 -0.859 0.156 6.709
74 HB3 PHE 14 2HB PHE 14 -2.366 0.232 5.802
75 HD1 PHE 14 2HD PHE 14 -2.554 1.618 3.814
76 HD2 PHE 14 1HD PHE 14 1.106 1.320 5.965
77 HE1 PHE 14 2HE PHE 14 -1.353 2.589 1.898
78 HE2 PHE 14 1HE PHE 14 2.313 2.290 4.053
79 HZ PHE 14 HZ PHE 14 1.083 2.925 2.016
80 H HIS 15 H HIS 15 -4.520 1.213 7.015
81 HA HIS 15 HA HIS 15 -4.542 -0.206 9.578
82 HB2 HIS 15 1HB HIS 15 -6.218 1.033 10.524
83 HB3 HIS 15 2HB HIS 15 -5.462 2.296 9.558
84 HD1 HIS 15 1HD HIS 15 -8.179 -0.309 8.931
85 HD2 HIS 15 2HD HIS 15 -7.333 3.697 8.224
86 HE1 HIS 15 1HE HIS 15 -10.183 0.596 7.712
87 H LEU 16 H LEU 16 -5.578 -2.098 9.479
88 HA LEU 16 HA LEU 16 -6.647 -3.023 7.011
89 HB2 LEU 16 1HB LEU 16 -6.645 -4.209 9.778
90 HB3 LEU 16 2HB LEU 16 -7.264 -5.047 8.357
91 HG LEU 16 HG LEU 16 -4.416 -4.099 8.626
92 HD11 LEU 16 1HD1 LEU 16 -5.766 -6.465 9.708
93 HD12 LEU 16 2HD1 LEU 16 -4.233 -5.721 10.162
94 HD13 LEU 16 3HD1 LEU 16 -4.309 -6.807 8.775
95 HD21 LEU 16 1HD2 LEU 16 -5.878 -5.859 6.675
96 HD22 LEU 16 2HD2 LEU 16 -4.121 -5.859 6.829
97 HD23 LEU 16 3HD2 LEU 16 -4.964 -4.386 6.350
98 H ALA 17 H ALA 17 -8.770 -3.633 6.507
99 HA ALA 17 HA ALA 17 -10.800 -2.029 7.853
100 HB1 ALA 17 1HB ALA 17 -10.681 -3.451 5.217
101 HB2 ALA 17 2HB ALA 17 -12.214 -2.884 5.880
102 HB3 ALA 17 3HB ALA 17 -10.919 -1.734 5.546
103 HA PRO 18 HA PRO 18 -12.546 -5.410 10.067
104 HB2 PRO 18 1HB PRO 18 -15.070 -4.461 10.385
105 HB3 PRO 18 2HB PRO 18 -13.686 -3.828 11.284
106 HG2 PRO 18 1HG PRO 18 -15.023 -2.725 8.843
107 HG3 PRO 18 2HG PRO 18 -14.451 -1.871 10.288
108 HD2 PRO 18 1HD PRO 18 -13.046 -1.922 7.974
109 HD3 PRO 18 2HD PRO 18 -12.262 -1.855 9.565
110 H ALA 19 H ALA 19 -13.980 -7.162 9.843
111 HA ALA 19 HA ALA 19 -15.388 -7.333 7.261
112 HB1 ALA 19 1HB ALA 19 -13.129 -8.625 7.543
113 HB2 ALA 19 2HB ALA 19 -14.132 -9.769 8.435
114 HB3 ALA 19 3HB ALA 19 -14.506 -9.392 6.753
115 H ARG 20 H ARG 20 -17.369 -8.302 7.274
116 HA ARG 20 HA ARG 20 -18.313 -9.412 9.831
117 HB2 ARG 20 1HB ARG 20 -19.677 -7.398 8.051
118 HB3 ARG 20 2HB ARG 20 -20.561 -8.361 9.227
119 HG2 ARG 20 1HG ARG 20 -18.820 -7.436 10.913
120 HG3 ARG 20 2HG ARG 20 -18.548 -6.205 9.679
121 HD2 ARG 20 1HD ARG 20 -20.179 -5.284 11.087
122 HD3 ARG 20 2HD ARG 20 -21.076 -5.877 9.690
123 HE ARG 20 HE ARG 20 -21.228 -7.959 11.369
124 HH11 ARG 20 2HH1 ARG 20 -21.798 -4.556 11.833
125 HH12 ARG 20 1HH1 ARG 20 -22.992 -4.791 13.067
126 HH21 ARG 20 2HH2 ARG 20 -22.797 -8.281 12.993
127 HH22 ARG 20 1HH2 ARG 20 -23.558 -6.911 13.727
128 H ALA 21 H ALA 21 -19.228 -9.043 6.402
129 HA ALA 21 HA ALA 21 -21.007 -11.125 6.179
130 HB1 ALA 21 1HB ALA 21 -18.989 -10.287 4.099
131 HB2 ALA 21 2HB ALA 21 -20.487 -11.171 3.806
132 HB3 ALA 21 3HB ALA 21 -20.545 -9.509 4.392
133 H GLY 22 H GLY 22 -17.469 -11.263 5.893
134 HA2 GLY 22 1HA GLY 22 -16.706 -13.449 7.059
135 HA3 GLY 22 2HA GLY 22 -17.631 -14.195 5.764
136 H HIS 23 H HIS 23 -14.756 -12.392 6.575
137 HA HIS 23 HA HIS 23 -13.241 -13.551 4.504
138 HB2 HIS 23 1HB HIS 23 -12.799 -11.498 3.162
139 HB3 HIS 23 2HB HIS 23 -14.451 -12.090 3.009
140 HD1 HIS 23 1HD HIS 23 -12.482 -9.150 4.016
141 HD2 HIS 23 2HD HIS 23 -16.397 -10.488 4.394
142 HE1 HIS 23 1HE HIS 23 -13.820 -7.131 4.691
143 H HIS 24 H HIS 24 -11.232 -13.611 5.255
144 HA HIS 24 HA HIS 24 -10.295 -12.678 7.592
145 HB2 HIS 24 1HB HIS 24 -9.137 -14.052 5.638
146 HB3 HIS 24 2HB HIS 24 -8.382 -12.496 5.308
147 HD1 HIS 24 1HD HIS 24 -6.135 -12.459 6.312
148 HD2 HIS 24 2HD HIS 24 -8.860 -14.459 8.727
149 HE1 HIS 24 1HE HIS 24 -4.845 -13.139 8.361
150 HA PRO 25 HA PRO 25 -10.159 -8.276 7.410
151 HB2 PRO 25 1HB PRO 25 -8.441 -7.844 9.467
152 HB3 PRO 25 2HB PRO 25 -10.121 -8.340 9.706
153 HG2 PRO 25 1HG PRO 25 -7.631 -10.001 9.750
154 HG3 PRO 25 2HG PRO 25 -9.028 -10.050 10.841
155 HD2 PRO 25 1HD PRO 25 -8.689 -11.829 8.828
156 HD3 PRO 25 2HD PRO 25 -10.292 -11.295 9.370
157 H ASN 26 H ASN 26 -7.744 -10.267 6.391
158 HA ASN 26 HA ASN 26 -5.781 -8.123 6.010
159 HB2 ASN 26 1HB ASN 26 -5.264 -10.559 6.876
160 HB3 ASN 26 2HB ASN 26 -5.288 -10.949 5.159
161 HD21 ASN 26 1HD2 ASN 26 -3.575 -9.449 7.720
162 HD22 ASN 26 2HD2 ASN 26 -2.170 -9.006 6.818
163 H GLN 27 H GLN 27 -8.178 -7.980 4.535
164 HA GLN 27 HA GLN 27 -7.680 -8.995 1.880
165 HB2 GLN 27 1HB GLN 27 -9.967 -8.545 3.095
166 HB3 GLN 27 2HB GLN 27 -9.748 -6.915 2.473
167 HG2 GLN 27 1HG GLN 27 -11.100 -8.103 0.929
168 HG3 GLN 27 2HG GLN 27 -9.511 -7.891 0.195
169 HE21 GLN 27 1HE2 GLN 27 -11.943 -10.046 0.782
170 HE22 GLN 27 2HE2 GLN 27 -11.074 -11.521 0.553
171 H TYR 28 H TYR 28 -8.145 -5.705 3.187
172 HA TYR 28 HA TYR 28 -6.060 -4.751 1.363
173 HB2 TYR 28 1HB TYR 28 -8.921 -3.899 1.410
174 HB3 TYR 28 2HB TYR 28 -7.691 -2.680 1.092
175 HD1 TYR 28 2HD TYR 28 -8.554 -6.148 -0.020
176 HD2 TYR 28 1HD TYR 28 -7.176 -2.274 -1.115
177 HE1 TYR 28 2HE TYR 28 -8.478 -6.847 -2.377
178 HE2 TYR 28 1HE TYR 28 -7.098 -2.962 -3.475
179 HH TYR 28 HH TYR 28 -8.336 -4.784 -4.902
180 H ALA 29 H ALA 29 -5.109 -2.740 1.981
181 HA ALA 29 HA ALA 29 -5.513 -2.104 4.830
182 HB1 ALA 29 1HB ALA 29 -3.195 -1.520 4.977
183 HB2 ALA 29 2HB ALA 29 -3.316 -3.119 4.242
184 HB3 ALA 29 3HB ALA 29 -2.987 -1.709 3.236
185 H THR 30 H THR 30 -6.072 -0.089 5.370
186 HA THR 30 HA THR 30 -6.336 1.885 3.233
187 HB THR 30 HB THR 30 -7.361 2.051 6.072
188 HG1 THR 30 1HG THR 30 -9.404 1.645 4.656
189 HG21 THR 30 1HG2 THR 30 -8.739 3.496 3.928
190 HG22 THR 30 2HG2 THR 30 -7.093 4.055 4.229
191 HG23 THR 30 3HG2 THR 30 -8.272 4.036 5.540
192 H CYS 31 H CYS 31 -4.773 3.320 2.940
193 HA CYS 31 HA CYS 31 -2.639 3.729 4.731
194 HB2 CYS 31 1HB CYS 31 -2.704 4.148 2.203
195 HB3 CYS 31 2HB CYS 31 -3.465 5.687 2.593
196 H ARG 32 H ARG 32 -2.462 4.968 6.477
197 HA ARG 32 HA ARG 32 -4.668 6.698 7.220
198 HB2 ARG 32 1HB ARG 32 -2.150 5.915 8.699
199 HB3 ARG 32 2HB ARG 32 -3.432 6.916 9.370
200 HG2 ARG 32 1HG ARG 32 -4.957 5.135 9.403
201 HG3 ARG 32 2HG ARG 32 -3.957 4.152 8.331
202 HD2 ARG 32 1HD ARG 32 -3.635 3.234 10.466
203 HD3 ARG 32 2HD ARG 32 -2.203 4.220 10.177
204 HE ARG 32 HE ARG 32 -3.903 5.894 11.482
205 HH11 ARG 32 2HH1 ARG 32 -2.612 2.729 12.143
206 HH12 ARG 32 1HH1 ARG 32 -2.648 2.931 13.864
207 HH21 ARG 32 2HH2 ARG 32 -3.955 6.172 13.746
208 HH22 ARG 32 1HH2 ARG 32 -3.412 4.889 14.774
209 H LEU 33 H LEU 33 -2.010 7.096 5.364
210 HA LEU 33 HA LEU 33 -1.280 9.740 6.347
211 HB2 LEU 33 1HB LEU 33 -0.197 7.899 4.251
212 HB3 LEU 33 2HB LEU 33 0.249 9.604 4.256
213 HG LEU 33 HG LEU 33 0.723 7.695 6.544
214 HD11 LEU 33 1HD1 LEU 33 2.424 6.929 5.335
215 HD12 LEU 33 2HD1 LEU 33 3.158 8.522 5.517
216 HD13 LEU 33 3HD1 LEU 33 2.188 8.157 4.090
217 HD21 LEU 33 1HD2 LEU 33 2.294 10.145 6.365
218 HD22 LEU 33 2HD2 LEU 33 1.452 9.434 7.742
219 HD23 LEU 33 3HD2 LEU 33 0.569 10.434 6.588
220 H CYS 34 H CYS 34 -2.585 8.255 3.392
221 HA CYS 34 HA CYS 34 -3.640 10.903 2.639
222 HB2 CYS 34 1HB CYS 34 -3.474 10.229 0.302
223 HB3 CYS 34 2HB CYS 34 -1.902 10.094 1.084
224 H GLY 35 H GLY 35 -4.239 7.422 2.698
225 HA2 GLY 35 1HA GLY 35 -6.439 6.680 3.441
226 HA3 GLY 35 2HA GLY 35 -7.126 8.020 2.536
227 H ARG 36 H ARG 36 -4.538 6.213 1.125
228 HA ARG 36 HA ARG 36 -6.340 5.291 -0.963
229 HB2 ARG 36 1HB ARG 36 -3.354 5.454 -0.684
230 HB3 ARG 36 2HB ARG 36 -4.084 4.484 -1.956
231 HG2 ARG 36 1HG ARG 36 -4.999 7.290 -1.659
232 HG3 ARG 36 2HG ARG 36 -3.393 7.005 -2.332
233 HD2 ARG 36 1HD ARG 36 -4.212 5.964 -4.204
234 HD3 ARG 36 2HD ARG 36 -5.680 5.423 -3.391
235 HE ARG 36 HE ARG 36 -5.246 7.964 -4.707
236 HH11 ARG 36 2HH1 ARG 36 -7.208 6.117 -2.503
237 HH12 ARG 36 1HH1 ARG 36 -8.602 7.130 -2.690
238 HH21 ARG 36 2HH2 ARG 36 -7.073 9.304 -4.962
239 HH22 ARG 36 1HH2 ARG 36 -8.524 8.942 -4.090
240 H GLN 37 H GLN 37 -6.710 3.166 -1.498
241 HA GLN 37 HA GLN 37 -6.278 1.248 0.627
242 HB2 GLN 37 1HB GLN 37 -7.680 0.857 -2.020
243 HB3 GLN 37 2HB GLN 37 -7.777 -0.194 -0.614
244 HG2 GLN 37 1HG GLN 37 -9.773 1.142 -0.791
245 HG3 GLN 37 2HG GLN 37 -8.861 1.607 0.645
246 HE21 GLN 37 1HE2 GLN 37 -8.621 3.694 0.961
247 HE22 GLN 37 2HE2 GLN 37 -8.708 4.926 -0.247
248 H VAL 38 H VAL 38 -4.641 -0.132 0.699
249 HA VAL 38 HA VAL 38 -3.330 -0.903 -1.825
250 HB VAL 38 HB VAL 38 -1.934 -0.368 0.801
251 HG11 VAL 38 1HG1 VAL 38 -1.189 -2.002 -1.364
252 HG12 VAL 38 2HG1 VAL 38 -0.203 -0.542 -1.473
253 HG13 VAL 38 3HG1 VAL 38 -0.199 -1.503 0.007
254 HG21 VAL 38 1HG2 VAL 38 -0.813 1.435 -0.632
255 HG22 VAL 38 2HG2 VAL 38 -2.175 1.224 -1.732
256 HG23 VAL 38 3HG2 VAL 38 -2.456 1.741 -0.070
257 H SER 39 H SER 39 -3.593 -3.002 -2.159
258 HA SER 39 HA SER 39 -3.928 -4.789 0.143
259 HB2 SER 39 1HB SER 39 -4.904 -6.376 -1.424
260 HB3 SER 39 2HB SER 39 -5.687 -4.807 -1.612
261 HG SER 39 HG SER 39 -4.307 -6.252 -3.424
262 H ARG 40 H ARG 40 -2.930 -6.951 0.006
263 HA ARG 40 HA ARG 40 -0.183 -6.714 -0.978
264 HB2 ARG 40 1HB ARG 40 -1.498 -8.470 1.082
265 HB3 ARG 40 2HB ARG 40 0.108 -8.826 0.461
266 HG2 ARG 40 1HG ARG 40 1.053 -6.983 1.462
267 HG3 ARG 40 2HG ARG 40 -0.479 -6.111 1.544
268 HD2 ARG 40 1HD ARG 40 -0.042 -6.736 3.756
269 HD3 ARG 40 2HD ARG 40 -1.217 -7.921 3.187
270 HE ARG 40 HE ARG 40 0.366 -9.556 3.432
271 HH11 ARG 40 2HH1 ARG 40 1.922 -6.442 3.493
272 HH12 ARG 40 1HH1 ARG 40 3.468 -7.078 3.945
273 HH21 ARG 40 2HH2 ARG 40 2.397 -10.406 4.027
274 HH22 ARG 40 1HH2 ARG 40 3.738 -9.333 4.247
275 H GLY 41 H GLY 41 -2.880 -9.039 -0.963
276 HA2 GLY 41 1HA GLY 41 -3.523 -10.185 -2.975
277 HA3 GLY 41 2HA GLY 41 -1.854 -10.087 -3.516
278 HA PRO 42 HA PRO 42 -2.750 -14.312 -1.692
279 HB2 PRO 42 1HB PRO 42 -2.076 -15.726 -3.910
280 HB3 PRO 42 2HB PRO 42 -3.711 -15.122 -3.616
281 HG2 PRO 42 1HG PRO 42 -1.549 -13.972 -5.337
282 HG3 PRO 42 2HG PRO 42 -3.281 -14.137 -5.678
283 HD2 PRO 42 1HD PRO 42 -2.170 -11.801 -4.879
284 HD3 PRO 42 2HD PRO 42 -3.830 -12.265 -4.451
285 H GLY 43 H GLY 43 -1.188 -15.635 -0.845
286 HA2 GLY 43 1HA GLY 43 0.959 -15.935 0.010
287 HA3 GLY 43 2HA GLY 43 1.228 -16.414 -1.659
288 H VAL 44 H VAL 44 1.548 -13.827 0.677
289 HA VAL 44 HA VAL 44 3.417 -12.480 -1.164
290 HB VAL 44 HB VAL 44 1.665 -11.225 0.954
291 HG11 VAL 44 1HG1 VAL 44 4.004 -10.265 0.677
292 HG12 VAL 44 2HG1 VAL 44 3.493 -9.772 -0.939
293 HG13 VAL 44 3HG1 VAL 44 2.657 -9.144 0.482
294 HG21 VAL 44 1HG2 VAL 44 0.378 -11.720 -0.991
295 HG22 VAL 44 2HG2 VAL 44 0.734 -9.993 -1.021
296 HG23 VAL 44 3HG2 VAL 44 1.639 -11.098 -2.056
297 H ASN 45 H ASN 45 5.376 -11.793 -0.360
298 HA ASN 45 HA ASN 45 6.075 -11.696 2.363
299 HB2 ASN 45 1HB ASN 45 5.783 -14.247 1.835
300 HB3 ASN 45 2HB ASN 45 7.356 -14.074 1.063
301 HD21 ASN 45 1HD2 ASN 45 5.795 -12.980 4.060
302 HD22 ASN 45 2HD2 ASN 45 7.100 -13.427 5.100
303 H VAL 46 H VAL 46 7.551 -10.147 2.309
304 HA VAL 46 HA VAL 46 9.987 -10.411 0.860
305 HB VAL 46 HB VAL 46 8.682 -9.694 -1.037
306 HG11 VAL 46 1HG1 VAL 46 6.776 -8.681 -0.125
307 HG12 VAL 46 2HG1 VAL 46 7.729 -7.534 0.818
308 HG13 VAL 46 3HG1 VAL 46 7.629 -7.367 -0.935
309 HG21 VAL 46 1HG2 VAL 46 10.824 -8.120 0.093
310 HG22 VAL 46 2HG2 VAL 46 10.547 -8.604 -1.580
311 HG23 VAL 46 3HG2 VAL 46 9.790 -7.141 -0.949
312 H GLY 47 H GLY 47 11.565 -9.185 1.762
313 HA2 GLY 47 1HA GLY 47 11.341 -8.082 4.249
314 HA3 GLY 47 2HA GLY 47 12.575 -7.599 3.095
315 H THR 48 H THR 48 10.673 -6.503 1.186
316 HA THR 48 HA THR 48 10.199 -3.958 2.546
317 HB THR 48 HB THR 48 10.127 -4.604 -0.408
318 HG1 THR 48 1HG THR 48 12.174 -3.809 -0.460
319 HG21 THR 48 1HG2 THR 48 10.138 -1.920 0.975
320 HG22 THR 48 2HG2 THR 48 8.713 -2.677 0.263
321 HG23 THR 48 3HG2 THR 48 10.071 -2.214 -0.762
322 H THR 49 H THR 49 8.286 -4.395 3.654
323 HA THR 49 HA THR 49 6.025 -5.674 2.846
324 HB THR 49 HB THR 49 5.934 -3.040 4.320
325 HG1 THR 49 1HG THR 49 7.260 -5.250 4.989
326 HG21 THR 49 1HG2 THR 49 3.944 -3.867 5.319
327 HG22 THR 49 2HG2 THR 49 4.211 -5.487 4.674
328 HG23 THR 49 3HG2 THR 49 3.788 -4.163 3.588
329 H ALA 50 H ALA 50 4.617 -5.456 1.240
330 HA ALA 50 HA ALA 50 4.721 -3.882 -0.910
331 HB1 ALA 50 1HB ALA 50 2.735 -5.499 0.258
332 HB2 ALA 50 2HB ALA 50 1.949 -3.993 -0.218
333 HB3 ALA 50 3HB ALA 50 2.838 -4.941 -1.412
334 H LEU 51 H LEU 51 3.510 -2.879 2.223
335 HA LEU 51 HA LEU 51 2.249 -0.496 1.515
336 HB2 LEU 51 1HB LEU 51 3.854 -0.940 4.022
337 HB3 LEU 51 2HB LEU 51 2.506 0.173 3.796
338 HG LEU 51 HG LEU 51 2.237 -2.827 3.675
339 HD11 LEU 51 1HD1 LEU 51 1.844 -2.940 5.900
340 HD12 LEU 51 2HD1 LEU 51 1.204 -1.299 5.985
341 HD13 LEU 51 3HD1 LEU 51 2.947 -1.563 5.920
342 HD21 LEU 51 1HD2 LEU 51 -0.171 -2.204 4.119
343 HD22 LEU 51 2HD2 LEU 51 0.451 -1.795 2.520
344 HD23 LEU 51 3HD2 LEU 51 0.283 -0.541 3.749
345 H TRP 52 H TRP 52 5.593 -0.927 2.684
346 HA TRP 52 HA TRP 52 6.588 1.567 2.575
347 HB2 TRP 52 1HB TRP 52 7.879 -0.968 1.563
348 HB3 TRP 52 2HB TRP 52 8.754 0.550 1.742
349 HD1 TRP 52 HD TRP 52 7.727 -2.471 3.653
350 HE1 TRP 52 1HE TRP 52 8.357 -2.208 6.135
351 HE3 TRP 52 3HE TRP 52 8.863 2.514 3.678
352 HZ2 TRP 52 2HZ TRP 52 9.220 -0.158 7.873
353 HZ3 TRP 52 3HZ TRP 52 9.582 3.549 5.792
354 HH2 TRP 52 HH TRP 52 9.756 2.239 7.845
355 H LYS 53 H LYS 53 6.443 -0.568 -0.279
356 HA LYS 53 HA LYS 53 7.443 0.991 -2.236
357 HB2 LYS 53 1HB LYS 53 5.096 -0.867 -2.210
358 HB3 LYS 53 2HB LYS 53 5.456 0.043 -3.671
359 HG2 LYS 53 1HG LYS 53 6.557 -1.968 -3.999
360 HG3 LYS 53 2HG LYS 53 7.835 -0.895 -3.423
361 HD2 LYS 53 1HD LYS 53 7.602 -1.804 -1.173
362 HD3 LYS 53 2HD LYS 53 6.285 -2.846 -1.717
363 HE2 LYS 53 1HE LYS 53 8.995 -2.959 -2.999
364 HE3 LYS 53 2HE LYS 53 8.648 -3.850 -1.518
365 HZ1 LYS 53 1HZ LYS 53 7.194 -5.237 -2.583
366 HZ2 LYS 53 2HZ LYS 53 8.300 -4.955 -3.831
367 HZ3 LYS 53 3HZ LYS 53 6.826 -4.125 -3.804
368 H HIS 54 H HIS 54 4.148 1.257 -0.938
369 HA HIS 54 HA HIS 54 3.392 3.421 -2.618
370 HB2 HIS 54 1HB HIS 54 1.726 1.967 -1.567
371 HB3 HIS 54 2HB HIS 54 2.236 2.513 0.028
372 HD1 HIS 54 1HD HIS 54 0.779 4.016 -3.149
373 HD2 HIS 54 2HD HIS 54 0.788 4.599 0.964
374 HE1 HIS 54 1HE HIS 54 -0.833 5.901 -2.734
375 H LEU 55 H LEU 55 4.538 3.233 0.736
376 HA LEU 55 HA LEU 55 4.331 5.926 1.401
377 HB2 LEU 55 1HB LEU 55 6.355 3.877 2.287
378 HB3 LEU 55 2HB LEU 55 6.144 5.456 3.040
379 HG LEU 55 HG LEU 55 3.953 3.394 2.900
380 HD11 LEU 55 1HD1 LEU 55 6.070 3.834 4.987
381 HD12 LEU 55 2HD1 LEU 55 5.644 2.337 4.158
382 HD13 LEU 55 3HD1 LEU 55 4.535 3.039 5.335
383 HD21 LEU 55 1HD2 LEU 55 4.279 5.695 4.806
384 HD22 LEU 55 2HD2 LEU 55 2.838 4.729 4.487
385 HD23 LEU 55 3HD2 LEU 55 3.436 5.853 3.265
386 H LYS 56 H LYS 56 7.060 4.177 -0.056
387 HA LYS 56 HA LYS 56 8.643 6.560 -0.327
388 HB2 LYS 56 1HB LYS 56 9.035 3.846 -1.601
389 HB3 LYS 56 2HB LYS 56 10.235 5.128 -1.497
390 HG2 LYS 56 1HG LYS 56 10.700 4.710 0.680
391 HG3 LYS 56 2HG LYS 56 9.055 4.188 1.048
392 HD2 LYS 56 1HD LYS 56 9.427 2.052 0.062
393 HD3 LYS 56 2HD LYS 56 10.967 2.571 -0.628
394 HE2 LYS 56 1HE LYS 56 10.307 2.167 2.285
395 HE3 LYS 56 2HE LYS 56 11.409 1.209 1.298
396 HZ1 LYS 56 1HZ LYS 56 12.681 3.368 0.996
397 HZ2 LYS 56 2HZ LYS 56 12.774 2.633 2.516
398 HZ3 LYS 56 3HZ LYS 56 11.767 3.972 2.285
399 H SER 57 H SER 57 6.047 5.300 -2.014
400 HA SER 57 HA SER 57 6.863 6.135 -4.654
401 HB2 SER 57 1HB SER 57 5.355 4.239 -4.448
402 HB3 SER 57 2HB SER 57 4.181 5.228 -3.581
403 HG SER 57 HG SER 57 5.058 5.845 -6.200
404 H MET 58 H MET 58 4.719 7.324 -2.105
405 HA MET 58 HA MET 58 4.653 9.921 -3.491
406 HB2 MET 58 1HB MET 58 2.377 10.272 -2.781
407 HB3 MET 58 2HB MET 58 2.468 8.741 -3.642
408 HG2 MET 58 1HG MET 58 2.154 7.492 -1.728
409 HG3 MET 58 2HG MET 58 2.691 8.793 -0.668
410 HE1 MET 58 1HE MET 58 -1.144 9.545 -3.028
411 HE2 MET 58 2HE MET 58 0.503 9.405 -3.644
412 HE3 MET 58 3HE MET 58 -0.413 7.953 -3.238
413 H HIS 59 H HIS 59 4.703 8.163 -0.458
414 HA HIS 59 HA HIS 59 4.997 10.630 1.070
415 HB2 HIS 59 1HB HIS 59 4.956 7.766 2.042
416 HB3 HIS 59 2HB HIS 59 4.866 9.210 3.046
417 HD1 HIS 59 1HD HIS 59 2.675 10.818 2.203
418 HD2 HIS 59 2HD HIS 59 2.513 6.702 1.666
419 HE1 HIS 59 1HE HIS 59 0.234 10.268 1.955
420 H ARG 60 H ARG 60 7.048 9.589 -0.846
421 HA ARG 60 HA ARG 60 9.247 8.465 0.396
422 HB2 ARG 60 1HB ARG 60 9.246 8.739 -1.979
423 HB3 ARG 60 2HB ARG 60 9.085 10.484 -1.838
424 HG2 ARG 60 1HG ARG 60 11.325 10.619 -0.878
425 HG3 ARG 60 2HG ARG 60 11.487 8.867 -1.013
426 HD2 ARG 60 1HD ARG 60 11.268 9.020 -3.434
427 HD3 ARG 60 2HD ARG 60 11.050 10.766 -3.316
428 HE ARG 60 HE ARG 60 13.531 9.298 -3.100
429 HH11 ARG 60 2HH1 ARG 60 11.860 12.293 -2.501
430 HH12 ARG 60 1HH1 ARG 60 13.310 13.239 -2.436
431 HH21 ARG 60 2HH2 ARG 60 15.446 10.533 -3.016
432 HH22 ARG 60 1HH2 ARG 60 15.349 12.237 -2.729
433 H GLU 61 H GLU 61 8.208 11.836 0.331
434 HA GLU 61 HA GLU 61 10.524 12.878 1.608
435 HB2 GLU 61 1HB GLU 61 7.727 13.978 1.313
436 HB3 GLU 61 2HB GLU 61 9.056 14.879 2.027
437 HG2 GLU 61 1HG GLU 61 9.204 13.735 -0.742
438 HG3 GLU 61 2HG GLU 61 8.527 15.329 -0.410
439 H GLU 62 H GLU 62 7.395 11.732 2.762
440 HA GLU 62 HA GLU 62 7.607 12.575 5.425
441 HB2 GLU 62 1HB GLU 62 5.489 11.826 4.637
442 HB3 GLU 62 2HB GLU 62 6.142 10.266 4.157
443 HG2 GLU 62 1HG GLU 62 5.078 9.696 6.089
444 HG3 GLU 62 2HG GLU 62 6.689 10.053 6.707
445 H LEU 63 H LEU 63 8.716 9.627 3.824
446 HA LEU 63 HA LEU 63 9.606 8.333 6.191
447 HB2 LEU 63 1HB LEU 63 10.507 7.916 3.344
448 HB3 LEU 63 2HB LEU 63 10.768 6.808 4.690
449 HG LEU 63 HG LEU 63 8.076 7.536 3.536
450 HD11 LEU 63 1HD1 LEU 63 9.736 5.041 3.209
451 HD12 LEU 63 2HD1 LEU 63 9.396 6.237 1.959
452 HD13 LEU 63 3HD1 LEU 63 8.086 5.265 2.629
453 HD21 LEU 63 1HD2 LEU 63 8.971 5.773 5.782
454 HD22 LEU 63 2HD2 LEU 63 7.500 5.401 4.884
455 HD23 LEU 63 3HD2 LEU 63 7.649 6.940 5.733
456 H GLU 64 H GLU 64 11.393 9.995 3.589
457 HA GLU 64 HA GLU 64 13.935 9.822 4.668
458 HB2 GLU 64 1HB GLU 64 12.688 11.997 2.987
459 HB3 GLU 64 2HB GLU 64 14.403 11.934 3.368
460 HG2 GLU 64 1HG GLU 64 14.267 9.540 2.372
461 HG3 GLU 64 2HG GLU 64 12.785 10.134 1.625
462 H LYS 65 H LYS 65 11.405 12.207 5.295
463 HA LYS 65 HA LYS 65 13.026 13.818 7.016
464 HB2 LYS 65 1HB LYS 65 10.902 14.489 5.701
465 HB3 LYS 65 2HB LYS 65 10.019 13.779 7.046
466 HG2 LYS 65 1HG LYS 65 12.125 15.839 7.548
467 HG3 LYS 65 2HG LYS 65 10.503 16.317 7.038
468 HD2 LYS 65 1HD LYS 65 10.837 14.409 9.314
469 HD3 LYS 65 2HD LYS 65 11.082 16.137 9.580
470 HE2 LYS 65 1HE LYS 65 8.618 15.093 8.223
471 HE3 LYS 65 2HE LYS 65 8.738 15.161 9.980
472 HZ1 LYS 65 1HZ LYS 65 7.692 17.137 8.851
473 HZ2 LYS 65 2HZ LYS 65 9.231 17.525 8.267
474 HZ3 LYS 65 3HZ LYS 65 8.945 17.486 9.934
475 H SER 66 H SER 66 10.286 11.619 7.634
476 HA SER 66 HA SER 66 10.155 11.692 10.348
477 HB2 SER 66 1HB SER 66 9.411 9.309 10.257
478 HB3 SER 66 2HB SER 66 8.623 10.331 9.055
479 HG SER 66 HG SER 66 10.416 9.548 7.630
480 H GLY 67 H GLY 67 12.471 9.841 8.409
481 HA2 GLY 67 1HA GLY 67 14.672 9.331 9.032
482 HA3 GLY 67 2HA GLY 67 14.286 9.786 10.685
483 H HIS 68 H HIS 68 12.996 7.382 8.387
484 HA HIS 68 HA HIS 68 12.906 5.424 10.544
485 HB2 HIS 68 1HB HIS 68 11.640 5.699 7.869
486 HB3 HIS 68 2HB HIS 68 11.927 4.061 8.451
487 HD1 HIS 68 1HD HIS 68 9.187 4.116 8.356
488 HD2 HIS 68 2HD HIS 68 11.035 6.279 11.384
489 HE1 HIS 68 1HE HIS 68 7.402 4.516 10.082
490 H GLY 69 H GLY 69 15.493 6.051 9.932
491 HA2 GLY 69 1HA GLY 69 17.509 5.122 9.346
492 HA3 GLY 69 2HA GLY 69 16.684 3.579 9.503
493 H GLN 70 H GLN 70 18.527 3.412 7.730
494 HA GLN 70 HA GLN 70 17.750 4.320 5.115
495 HB2 GLN 70 1HB GLN 70 19.879 2.344 5.953
496 HB3 GLN 70 2HB GLN 70 19.688 3.009 4.336
497 HG2 GLN 70 1HG GLN 70 20.542 4.412 6.842
498 HG3 GLN 70 2HG GLN 70 21.416 4.240 5.321
499 HE21 GLN 70 1HE2 GLN 70 18.928 5.948 7.023
500 HE22 GLN 70 2HE2 GLN 70 18.724 7.219 5.871
501 H SER 71 H SER 71 15.550 3.221 5.578
502 HA SER 71 HA SER 71 15.484 0.369 5.144
503 HB2 SER 71 1HB SER 71 13.010 0.687 5.158
504 HB3 SER 71 2HB SER 71 13.800 1.350 6.589
505 HG SER 71 HG SER 71 12.216 2.756 5.602
506 H GLY 72 H GLY 72 16.831 1.556 3.063
507 HA2 GLY 72 1HA GLY 72 15.779 0.441 0.805
508 HA3 GLY 72 2HA GLY 72 15.079 2.053 0.838
509 HA PRO 73 HA PRO 73 19.685 1.883 -0.630
510 HB2 PRO 73 1HB PRO 73 19.449 1.137 -3.230
511 HB3 PRO 73 2HB PRO 73 19.736 -0.017 -1.922
512 HG2 PRO 73 1HG PRO 73 17.172 0.692 -3.295
513 HG3 PRO 73 2HG PRO 73 17.786 -0.904 -2.826
514 HD2 PRO 73 1HD PRO 73 15.927 0.426 -1.375
515 HD3 PRO 73 2HD PRO 73 17.126 -0.652 -0.632
516 H SER 74 H SER 74 20.376 3.836 -1.236
517 HA SER 74 HA SER 74 18.850 5.987 -1.846
518 HB2 SER 74 1HB SER 74 21.117 6.411 -1.359
519 HB3 SER 74 2HB SER 74 21.683 5.343 -2.644
520 HG SER 74 HG SER 74 20.101 7.488 -3.421
521 H SER 75 H SER 75 18.027 6.997 -3.641
522 HA SER 75 HA SER 75 18.531 6.049 -6.300
523 HB2 SER 75 1HB SER 75 15.946 5.361 -4.913
524 HB3 SER 75 2HB SER 75 16.037 5.514 -6.668
525 HG SER 75 HG SER 75 16.381 3.363 -6.008
526 H GLY 76 H GLY 76 16.893 7.143 -7.867
527 HA2 GLY 76 1HA GLY 76 15.290 9.090 -7.898
528 HA3 GLY 76 2HA GLY 76 16.476 9.897 -6.883
Start of MODEL 13
1 H1 GLY 1 H GLY 1 8.352 -23.709 7.801
2 HA2 GLY 1 1HA GLY 1 9.268 -21.630 6.821
3 HA3 GLY 1 2HA GLY 1 7.615 -21.219 6.390
4 H SER 2 H SER 2 9.919 -21.501 9.006
5 HA SER 2 HA SER 2 8.027 -20.249 10.859
6 HB2 SER 2 1HB SER 2 10.757 -21.464 11.349
7 HB3 SER 2 2HB SER 2 9.717 -20.777 12.597
8 HG SER 2 HG SER 2 8.240 -22.392 12.243
9 H SER 3 H SER 3 8.007 -18.131 10.145
10 HA SER 3 HA SER 3 10.217 -16.512 11.017
11 HB2 SER 3 1HB SER 3 9.486 -16.562 8.079
12 HB3 SER 3 2HB SER 3 10.557 -15.383 8.835
13 HG SER 3 HG SER 3 12.023 -16.987 9.248
14 H GLY 4 H GLY 4 9.219 -14.970 12.122
15 HA2 GLY 4 1HA GLY 4 6.500 -14.309 11.859
16 HA3 GLY 4 2HA GLY 4 7.698 -13.363 12.730
17 H SER 5 H SER 5 7.920 -11.354 12.034
18 HA SER 5 HA SER 5 7.448 -10.802 9.178
19 HB2 SER 5 1HB SER 5 6.557 -9.272 11.613
20 HB3 SER 5 2HB SER 5 6.722 -8.477 10.047
21 HG SER 5 HG SER 5 4.660 -9.179 10.084
22 H SER 6 H SER 6 8.359 -8.494 8.656
23 HA SER 6 HA SER 6 10.828 -7.902 10.070
24 HB2 SER 6 1HB SER 6 11.452 -9.657 8.422
25 HB3 SER 6 2HB SER 6 10.860 -8.617 7.127
26 HG SER 6 HG SER 6 13.121 -8.320 8.762
27 H GLY 7 H GLY 7 11.122 -5.770 10.158
28 HA2 GLY 7 1HA GLY 7 10.735 -3.529 9.819
29 HA3 GLY 7 2HA GLY 7 10.937 -3.931 8.120
30 H SER 8 H SER 8 8.379 -4.823 10.418
31 HA SER 8 HA SER 8 6.375 -4.057 8.470
32 HB2 SER 8 1HB SER 8 6.403 -5.596 11.018
33 HB3 SER 8 2HB SER 8 4.890 -4.812 10.564
34 HG SER 8 HG SER 8 5.261 -7.025 9.761
35 H GLU 9 H GLU 9 7.917 -1.902 9.474
36 HA GLU 9 HA GLU 9 6.376 -0.520 11.477
37 HB2 GLU 9 1HB GLU 9 8.859 -0.263 11.178
38 HB3 GLU 9 2HB GLU 9 8.531 0.601 9.682
39 HG2 GLU 9 1HG GLU 9 8.776 2.345 11.126
40 HG3 GLU 9 2HG GLU 9 7.034 2.090 11.228
41 H ALA 10 H ALA 10 6.645 -0.515 7.983
42 HA ALA 10 HA ALA 10 5.413 1.852 7.305
43 HB1 ALA 10 1HB ALA 10 6.404 0.183 5.731
44 HB2 ALA 10 2HB ALA 10 4.927 -0.766 5.898
45 HB3 ALA 10 3HB ALA 10 4.860 0.856 5.208
46 H TRP 11 H TRP 11 3.992 -1.050 8.619
47 HA TRP 11 HA TRP 11 1.325 -0.724 7.960
48 HB2 TRP 11 1HB TRP 11 2.751 -1.968 10.271
49 HB3 TRP 11 2HB TRP 11 1.003 -1.776 10.367
50 HD1 TRP 11 HD TRP 11 3.513 -4.181 9.251
51 HE1 TRP 11 1HE TRP 11 2.480 -5.951 7.694
52 HE3 TRP 11 3HE TRP 11 -0.930 -1.868 8.227
53 HZ2 TRP 11 2HZ TRP 11 0.097 -6.318 6.226
54 HZ3 TRP 11 3HZ TRP 11 -2.531 -2.996 6.736
55 HH2 TRP 11 HH TRP 11 -2.026 -5.174 5.757
56 H GLU 12 H GLU 12 3.264 1.009 10.282
57 HA GLU 12 HA GLU 12 1.255 2.137 11.861
58 HB2 GLU 12 1HB GLU 12 3.901 3.350 11.042
59 HB3 GLU 12 2HB GLU 12 2.895 3.905 12.373
60 HG2 GLU 12 1HG GLU 12 3.955 1.104 12.243
61 HG3 GLU 12 2HG GLU 12 4.883 2.430 12.940
62 H TYR 13 H TYR 13 1.850 2.552 8.580
63 HA TYR 13 HA TYR 13 0.427 5.131 8.548
64 HB2 TYR 13 1HB TYR 13 2.133 3.957 6.346
65 HB3 TYR 13 2HB TYR 13 1.434 5.572 6.395
66 HD1 TYR 13 2HD TYR 13 4.084 3.399 7.695
67 HD2 TYR 13 1HD TYR 13 2.419 7.314 7.762
68 HE1 TYR 13 2HE TYR 13 6.127 4.243 8.771
69 HE2 TYR 13 1HE TYR 13 4.459 8.169 8.838
70 HH TYR 13 HH TYR 13 6.932 6.050 10.034
71 H PHE 14 H PHE 14 -0.527 2.223 8.619
72 HA PHE 14 HA PHE 14 -2.622 2.592 6.644
73 HB2 PHE 14 1HB PHE 14 -0.863 0.130 6.656
74 HB3 PHE 14 2HB PHE 14 -2.348 0.305 5.726
75 HD1 PHE 14 1HD PHE 14 1.126 1.446 6.083
76 HD2 PHE 14 2HD PHE 14 -2.403 1.571 3.707
77 HE1 PHE 14 1HE PHE 14 2.409 2.442 4.235
78 HE2 PHE 14 2HE PHE 14 -1.126 2.566 1.855
79 HZ PHE 14 HZ PHE 14 1.284 3.002 2.117
80 H HIS 15 H HIS 15 -4.455 1.194 6.988
81 HA HIS 15 HA HIS 15 -4.484 -0.322 9.482
82 HB2 HIS 15 1HB HIS 15 -6.072 0.925 10.566
83 HB3 HIS 15 2HB HIS 15 -5.265 2.212 9.677
84 HD1 HIS 15 1HD HIS 15 -8.185 -0.152 9.025
85 HD2 HIS 15 2HD HIS 15 -7.040 3.794 8.410
86 HE1 HIS 15 1HE HIS 15 -10.150 0.952 7.909
87 H LEU 16 H LEU 16 -5.563 -2.170 9.248
88 HA LEU 16 HA LEU 16 -6.830 -2.809 6.774
89 HB2 LEU 16 1HB LEU 16 -6.640 -4.296 9.386
90 HB3 LEU 16 2HB LEU 16 -7.377 -4.962 7.930
91 HG LEU 16 HG LEU 16 -4.517 -4.038 7.988
92 HD11 LEU 16 1HD1 LEU 16 -4.101 -5.688 9.435
93 HD12 LEU 16 2HD1 LEU 16 -4.417 -6.771 8.080
94 HD13 LEU 16 3HD1 LEU 16 -5.702 -6.399 9.228
95 HD21 LEU 16 1HD2 LEU 16 -6.307 -5.407 6.093
96 HD22 LEU 16 2HD2 LEU 16 -4.683 -6.080 6.231
97 HD23 LEU 16 3HD2 LEU 16 -4.901 -4.384 5.795
98 H ALA 17 H ALA 17 -8.937 -2.844 6.236
99 HA ALA 17 HA ALA 17 -10.831 -1.714 8.142
100 HB1 ALA 17 1HB ALA 17 -12.294 -1.396 6.241
101 HB2 ALA 17 2HB ALA 17 -10.686 -0.775 5.869
102 HB3 ALA 17 3HB ALA 17 -11.205 -2.328 5.213
103 HA PRO 18 HA PRO 18 -12.878 -5.485 9.083
104 HB2 PRO 18 1HB PRO 18 -15.417 -4.601 9.455
105 HB3 PRO 18 2HB PRO 18 -14.112 -4.286 10.605
106 HG2 PRO 18 1HG PRO 18 -15.239 -2.501 8.482
107 HG3 PRO 18 2HG PRO 18 -14.788 -2.107 10.151
108 HD2 PRO 18 1HD PRO 18 -13.194 -1.535 8.038
109 HD3 PRO 18 2HD PRO 18 -12.547 -1.942 9.640
110 H ALA 19 H ALA 19 -14.159 -7.097 8.192
111 HA ALA 19 HA ALA 19 -14.566 -7.016 5.398
112 HB1 ALA 19 1HB ALA 19 -15.909 -9.187 5.951
113 HB2 ALA 19 2HB ALA 19 -14.158 -9.146 6.164
114 HB3 ALA 19 3HB ALA 19 -15.220 -8.965 7.560
115 H ARG 20 H ARG 20 -15.949 -5.343 4.847
116 HA ARG 20 HA ARG 20 -18.706 -5.520 5.857
117 HB2 ARG 20 1HB ARG 20 -17.145 -3.252 4.631
118 HB3 ARG 20 2HB ARG 20 -18.893 -3.197 4.811
119 HG2 ARG 20 1HG ARG 20 -17.087 -3.729 7.144
120 HG3 ARG 20 2HG ARG 20 -17.478 -2.091 6.617
121 HD2 ARG 20 1HD ARG 20 -19.944 -3.023 6.715
122 HD3 ARG 20 2HD ARG 20 -19.222 -4.164 7.848
123 HE ARG 20 HE ARG 20 -18.358 -1.780 8.766
124 HH11 ARG 20 2HH1 ARG 20 -21.507 -2.995 7.914
125 HH12 ARG 20 1HH1 ARG 20 -22.345 -2.001 9.059
126 HH21 ARG 20 2HH2 ARG 20 -19.450 -0.465 10.278
127 HH22 ARG 20 1HH2 ARG 20 -21.174 -0.561 10.402
128 H ALA 21 H ALA 21 -20.138 -6.456 4.572
129 HA ALA 21 HA ALA 21 -21.048 -7.442 2.714
130 HB1 ALA 21 1HB ALA 21 -21.862 -5.908 1.192
131 HB2 ALA 21 2HB ALA 21 -21.506 -4.887 2.586
132 HB3 ALA 21 3HB ALA 21 -20.389 -4.938 1.222
133 H GLY 22 H GLY 22 -18.408 -8.237 3.013
134 HA2 GLY 22 1HA GLY 22 -17.777 -8.949 0.288
135 HA3 GLY 22 2HA GLY 22 -16.578 -7.907 1.040
136 H HIS 23 H HIS 23 -15.215 -9.838 0.554
137 HA HIS 23 HA HIS 23 -15.588 -12.244 2.025
138 HB2 HIS 23 1HB HIS 23 -12.940 -11.277 0.966
139 HB3 HIS 23 2HB HIS 23 -13.506 -12.935 1.149
140 HD1 HIS 23 1HD HIS 23 -15.361 -13.721 -0.597
141 HD2 HIS 23 2HD HIS 23 -13.470 -10.125 -1.465
142 HE1 HIS 23 1HE HIS 23 -15.862 -13.266 -3.018
143 H HIS 24 H HIS 24 -13.702 -13.029 3.482
144 HA HIS 24 HA HIS 24 -13.804 -11.865 5.920
145 HB2 HIS 24 1HB HIS 24 -12.180 -13.332 6.565
146 HB3 HIS 24 2HB HIS 24 -12.512 -14.014 4.976
147 HD1 HIS 24 1HD HIS 24 -10.914 -11.838 3.343
148 HD2 HIS 24 2HD HIS 24 -9.495 -13.935 6.638
149 HE1 HIS 24 1HE HIS 24 -8.408 -11.790 3.142
150 HA PRO 25 HA PRO 25 -11.558 -8.098 5.974
151 HB2 PRO 25 1HB PRO 25 -10.430 -8.153 8.443
152 HB3 PRO 25 2HB PRO 25 -12.159 -7.894 8.182
153 HG2 PRO 25 1HG PRO 25 -10.714 -10.403 8.943
154 HG3 PRO 25 2HG PRO 25 -12.234 -9.750 9.581
155 HD2 PRO 25 1HD PRO 25 -12.159 -11.743 7.749
156 HD3 PRO 25 2HD PRO 25 -13.467 -10.544 7.803
157 H ASN 26 H ASN 26 -9.253 -7.288 6.940
158 HA ASN 26 HA ASN 26 -7.010 -7.223 6.569
159 HB2 ASN 26 1HB ASN 26 -7.534 -10.077 7.231
160 HB3 ASN 26 2HB ASN 26 -5.963 -9.686 6.539
161 HD21 ASN 26 1HD2 ASN 26 -4.577 -9.725 8.162
162 HD22 ASN 26 2HD2 ASN 26 -4.761 -8.894 9.666
163 H GLN 27 H GLN 27 -8.643 -7.107 4.303
164 HA GLN 27 HA GLN 27 -7.120 -8.635 2.302
165 HB2 GLN 27 1HB GLN 27 -9.025 -8.098 0.770
166 HB3 GLN 27 2HB GLN 27 -9.461 -9.112 2.139
167 HG2 GLN 27 1HG GLN 27 -10.419 -7.211 3.285
168 HG3 GLN 27 2HG GLN 27 -9.913 -6.142 1.978
169 HE21 GLN 27 1HE2 GLN 27 -10.580 -7.562 -0.235
170 HE22 GLN 27 2HE2 GLN 27 -12.292 -7.783 -0.308
171 H TYR 28 H TYR 28 -8.339 -5.423 3.121
172 HA TYR 28 HA TYR 28 -6.391 -4.291 1.222
173 HB2 TYR 28 1HB TYR 28 -9.232 -3.502 1.771
174 HB3 TYR 28 2HB TYR 28 -8.076 -2.296 1.215
175 HD1 TYR 28 1HD TYR 28 -6.955 -2.608 -1.003
176 HD2 TYR 28 2HD TYR 28 -10.177 -5.077 0.273
177 HE1 TYR 28 1HE TYR 28 -7.320 -3.323 -3.328
178 HE2 TYR 28 2HE TYR 28 -10.549 -5.800 -2.048
179 HH TYR 28 HH TYR 28 -9.552 -5.885 -4.133
180 H ALA 29 H ALA 29 -5.195 -2.543 1.899
181 HA ALA 29 HA ALA 29 -5.364 -1.941 4.775
182 HB1 ALA 29 1HB ALA 29 -3.169 -2.587 3.056
183 HB2 ALA 29 2HB ALA 29 -2.926 -0.983 3.750
184 HB3 ALA 29 3HB ALA 29 -3.188 -2.371 4.807
185 H THR 30 H THR 30 -6.055 0.003 5.355
186 HA THR 30 HA THR 30 -6.339 2.089 3.345
187 HB THR 30 HB THR 30 -7.227 2.168 6.232
188 HG1 THR 30 1HG THR 30 -9.046 1.182 5.617
189 HG21 THR 30 1HG2 THR 30 -7.033 4.313 4.850
190 HG22 THR 30 2HG2 THR 30 -8.587 3.988 5.620
191 HG23 THR 30 3HG2 THR 30 -8.373 3.677 3.897
192 H CYS 31 H CYS 31 -4.648 3.375 3.014
193 HA CYS 31 HA CYS 31 -2.510 3.746 4.794
194 HB2 CYS 31 1HB CYS 31 -2.603 4.166 2.256
195 HB3 CYS 31 2HB CYS 31 -3.275 5.740 2.670
196 H ARG 32 H ARG 32 -2.358 4.911 6.585
197 HA ARG 32 HA ARG 32 -4.481 6.727 7.325
198 HB2 ARG 32 1HB ARG 32 -1.957 5.948 8.796
199 HB3 ARG 32 2HB ARG 32 -3.278 6.893 9.470
200 HG2 ARG 32 1HG ARG 32 -4.672 5.084 9.641
201 HG3 ARG 32 2HG ARG 32 -3.867 4.205 8.339
202 HD2 ARG 32 1HD ARG 32 -3.260 3.063 10.294
203 HD3 ARG 32 2HD ARG 32 -1.860 4.063 9.905
204 HE ARG 32 HE ARG 32 -3.342 5.591 11.615
205 HH11 ARG 32 2HH1 ARG 32 -1.949 2.402 11.734
206 HH12 ARG 32 1HH1 ARG 32 -1.711 2.429 13.450
207 HH21 ARG 32 2HH2 ARG 32 -3.033 5.638 13.874
208 HH22 ARG 32 1HH2 ARG 32 -2.329 4.269 14.666
209 H LEU 33 H LEU 33 -1.887 7.081 5.403
210 HA LEU 33 HA LEU 33 -1.063 9.701 6.389
211 HB2 LEU 33 1HB LEU 33 -0.064 7.858 4.249
212 HB3 LEU 33 2HB LEU 33 0.441 9.546 4.297
213 HG LEU 33 HG LEU 33 0.905 7.498 6.465
214 HD11 LEU 33 1HD1 LEU 33 3.255 7.699 5.829
215 HD12 LEU 33 2HD1 LEU 33 2.810 8.785 4.513
216 HD13 LEU 33 3HD1 LEU 33 2.275 7.104 4.489
217 HD21 LEU 33 1HD2 LEU 33 1.277 9.204 7.831
218 HD22 LEU 33 2HD2 LEU 33 0.868 10.346 6.550
219 HD23 LEU 33 3HD2 LEU 33 2.532 9.793 6.741
220 H CYS 34 H CYS 34 -2.385 8.264 3.412
221 HA CYS 34 HA CYS 34 -3.361 10.940 2.658
222 HB2 CYS 34 1HB CYS 34 -3.400 10.100 0.332
223 HB3 CYS 34 2HB CYS 34 -1.785 10.047 1.033
224 H GLY 35 H GLY 35 -4.197 7.528 2.938
225 HA2 GLY 35 1HA GLY 35 -6.386 6.914 3.744
226 HA3 GLY 35 2HA GLY 35 -7.036 8.317 2.910
227 H ARG 36 H ARG 36 -4.704 6.189 1.420
228 HA ARG 36 HA ARG 36 -6.775 5.377 -0.500
229 HB2 ARG 36 1HB ARG 36 -3.823 5.810 -0.703
230 HB3 ARG 36 2HB ARG 36 -4.597 4.683 -1.809
231 HG2 ARG 36 1HG ARG 36 -6.236 6.655 -2.244
232 HG3 ARG 36 2HG ARG 36 -4.931 7.637 -1.575
233 HD2 ARG 36 1HD ARG 36 -3.424 6.396 -3.249
234 HD3 ARG 36 2HD ARG 36 -4.929 5.923 -4.036
235 HE ARG 36 HE ARG 36 -5.209 8.584 -3.839
236 HH11 ARG 36 2HH1 ARG 36 -2.595 6.592 -4.987
237 HH12 ARG 36 1HH1 ARG 36 -2.032 7.763 -6.134
238 HH21 ARG 36 2HH2 ARG 36 -4.478 10.134 -5.345
239 HH22 ARG 36 1HH2 ARG 36 -3.104 9.778 -6.336
240 H GLN 37 H GLN 37 -7.022 3.227 -1.105
241 HA GLN 37 HA GLN 37 -6.205 1.309 0.910
242 HB2 GLN 37 1HB GLN 37 -8.074 1.175 -1.449
243 HB3 GLN 37 2HB GLN 37 -7.648 -0.251 -0.513
244 HG2 GLN 37 1HG GLN 37 -8.414 1.179 1.516
245 HG3 GLN 37 2HG GLN 37 -9.253 2.129 0.290
246 HE21 GLN 37 1HE2 GLN 37 -9.904 0.010 2.502
247 HE22 GLN 37 2HE2 GLN 37 -11.093 -0.974 1.726
248 H VAL 38 H VAL 38 -4.655 -0.184 0.695
249 HA VAL 38 HA VAL 38 -3.511 -0.636 -1.981
250 HB VAL 38 HB VAL 38 -1.964 -0.318 0.594
251 HG11 VAL 38 1HG1 VAL 38 0.032 -0.666 -0.748
252 HG12 VAL 38 2HG1 VAL 38 -1.031 -2.070 -0.853
253 HG13 VAL 38 3HG1 VAL 38 -0.957 -0.918 -2.186
254 HG21 VAL 38 1HG2 VAL 38 -0.974 1.426 -1.322
255 HG22 VAL 38 2HG2 VAL 38 -2.725 1.524 -1.508
256 HG23 VAL 38 3HG2 VAL 38 -1.986 1.846 0.060
257 H SER 39 H SER 39 -4.357 -2.629 -2.357
258 HA SER 39 HA SER 39 -4.747 -4.658 -0.478
259 HB2 SER 39 1HB SER 39 -4.871 -6.181 -2.440
260 HB3 SER 39 2HB SER 39 -5.830 -4.717 -2.657
261 HG SER 39 HG SER 39 -4.564 -4.119 -4.238
262 H ARG 40 H ARG 40 -3.276 -5.652 0.717
263 HA ARG 40 HA ARG 40 -0.528 -5.556 0.372
264 HB2 ARG 40 1HB ARG 40 -2.018 -6.344 2.390
265 HB3 ARG 40 2HB ARG 40 -1.777 -7.937 1.684
266 HG2 ARG 40 1HG ARG 40 0.597 -7.759 1.932
267 HG3 ARG 40 2HG ARG 40 0.461 -6.075 2.443
268 HD2 ARG 40 1HD ARG 40 0.804 -7.442 4.385
269 HD3 ARG 40 2HD ARG 40 -0.851 -6.835 4.408
270 HE ARG 40 HE ARG 40 -0.002 -9.589 4.037
271 HH11 ARG 40 2HH1 ARG 40 -2.588 -7.261 3.933
272 HH12 ARG 40 1HH1 ARG 40 -3.841 -8.454 4.031
273 HH21 ARG 40 2HH2 ARG 40 -1.641 -11.169 4.167
274 HH22 ARG 40 1HH2 ARG 40 -3.301 -10.676 4.166
275 H GLY 41 H GLY 41 -2.611 -8.399 -0.228
276 HA2 GLY 41 1HA GLY 41 -2.467 -9.631 -2.298
277 HA3 GLY 41 2HA GLY 41 -0.783 -9.144 -2.417
278 HA PRO 42 HA PRO 42 -0.887 -13.484 -0.821
279 HB2 PRO 42 1HB PRO 42 1.121 -14.362 -2.424
280 HB3 PRO 42 2HB PRO 42 -0.570 -14.327 -2.935
281 HG2 PRO 42 1HG PRO 42 1.627 -12.381 -3.525
282 HG3 PRO 42 2HG PRO 42 0.386 -13.032 -4.613
283 HD2 PRO 42 1HD PRO 42 0.199 -10.573 -3.494
284 HD3 PRO 42 2HD PRO 42 -1.226 -11.570 -3.853
285 H GLY 43 H GLY 43 1.504 -14.785 -0.612
286 HA2 GLY 43 1HA GLY 43 2.658 -14.062 1.680
287 HA3 GLY 43 2HA GLY 43 3.612 -14.758 0.378
288 H VAL 44 H VAL 44 2.787 -11.868 2.105
289 HA VAL 44 HA VAL 44 4.644 -10.294 0.463
290 HB VAL 44 HB VAL 44 2.334 -9.400 0.951
291 HG11 VAL 44 1HG1 VAL 44 2.968 -8.298 3.520
292 HG12 VAL 44 2HG1 VAL 44 1.574 -9.265 3.034
293 HG13 VAL 44 3HG1 VAL 44 3.049 -10.058 3.588
294 HG21 VAL 44 1HG2 VAL 44 4.194 -7.443 2.145
295 HG22 VAL 44 2HG2 VAL 44 4.661 -8.107 0.579
296 HG23 VAL 44 3HG2 VAL 44 3.112 -7.284 0.761
297 H ASN 45 H ASN 45 5.693 -12.268 2.212
298 HA ASN 45 HA ASN 45 6.684 -10.844 4.546
299 HB2 ASN 45 1HB ASN 45 7.327 -13.645 3.597
300 HB3 ASN 45 2HB ASN 45 7.703 -12.962 5.176
301 HD21 ASN 45 1HD2 ASN 45 6.286 -13.232 6.756
302 HD22 ASN 45 2HD2 ASN 45 4.660 -13.783 6.564
303 H VAL 46 H VAL 46 7.762 -9.240 3.110
304 HA VAL 46 HA VAL 46 10.484 -10.156 2.490
305 HB VAL 46 HB VAL 46 9.163 -9.927 0.380
306 HG11 VAL 46 1HG1 VAL 46 9.078 -7.022 1.188
307 HG12 VAL 46 2HG1 VAL 46 8.641 -7.645 -0.404
308 HG13 VAL 46 3HG1 VAL 46 7.700 -8.108 1.014
309 HG21 VAL 46 1HG2 VAL 46 11.524 -9.752 0.215
310 HG22 VAL 46 2HG2 VAL 46 10.853 -8.439 -0.752
311 HG23 VAL 46 3HG2 VAL 46 11.514 -8.106 0.848
312 H GLY 47 H GLY 47 12.122 -8.626 2.796
313 HA2 GLY 47 1HA GLY 47 12.009 -6.948 4.929
314 HA3 GLY 47 2HA GLY 47 13.115 -6.697 3.587
315 H THR 48 H THR 48 11.014 -6.188 1.648
316 HA THR 48 HA THR 48 10.354 -3.450 2.486
317 HB THR 48 HB THR 48 10.564 -4.653 -0.280
318 HG1 THR 48 1HG THR 48 12.518 -3.826 -0.257
319 HG21 THR 48 1HG2 THR 48 8.952 -2.530 0.491
320 HG22 THR 48 2HG2 THR 48 9.509 -2.882 -1.145
321 HG23 THR 48 3HG2 THR 48 10.412 -1.759 -0.128
322 H THR 49 H THR 49 8.473 -4.050 3.663
323 HA THR 49 HA THR 49 6.359 -5.598 2.819
324 HB THR 49 HB THR 49 5.928 -3.012 4.304
325 HG1 THR 49 1HG THR 49 7.620 -3.959 5.384
326 HG21 THR 49 1HG2 THR 49 3.885 -3.836 4.623
327 HG22 THR 49 2HG2 THR 49 4.576 -5.260 5.402
328 HG23 THR 49 3HG2 THR 49 4.303 -5.252 3.659
329 H ALA 50 H ALA 50 4.818 -5.439 1.315
330 HA ALA 50 HA ALA 50 4.819 -3.894 -0.867
331 HB1 ALA 50 1HB ALA 50 2.231 -4.098 -0.801
332 HB2 ALA 50 2HB ALA 50 3.217 -5.558 -0.896
333 HB3 ALA 50 3HB ALA 50 2.523 -5.062 0.648
334 H LEU 51 H LEU 51 3.726 -2.883 2.293
335 HA LEU 51 HA LEU 51 2.349 -0.547 1.553
336 HB2 LEU 51 1HB LEU 51 3.927 -0.931 4.086
337 HB3 LEU 51 2HB LEU 51 2.536 0.121 3.833
338 HG LEU 51 HG LEU 51 2.358 -2.879 3.667
339 HD11 LEU 51 1HD1 LEU 51 1.788 -1.142 6.063
340 HD12 LEU 51 2HD1 LEU 51 3.185 -2.204 5.890
341 HD13 LEU 51 3HD1 LEU 51 1.560 -2.887 5.944
342 HD21 LEU 51 1HD2 LEU 51 0.329 -0.674 3.990
343 HD22 LEU 51 2HD2 LEU 51 -0.035 -2.394 4.131
344 HD23 LEU 51 3HD2 LEU 51 0.539 -1.736 2.598
345 H TRP 52 H TRP 52 5.698 -0.934 2.716
346 HA TRP 52 HA TRP 52 6.631 1.598 2.635
347 HB2 TRP 52 1HB TRP 52 7.976 -0.935 1.700
348 HB3 TRP 52 2HB TRP 52 8.829 0.603 1.799
349 HD1 TRP 52 HD TRP 52 7.752 -2.311 3.885
350 HE1 TRP 52 1HE TRP 52 8.439 -1.932 6.337
351 HE3 TRP 52 3HE TRP 52 9.077 2.619 3.604
352 HZ2 TRP 52 2HZ TRP 52 9.413 0.178 7.939
353 HZ3 TRP 52 3HZ TRP 52 9.875 3.743 5.642
354 HH2 TRP 52 HH TRP 52 10.039 2.546 7.764
355 H LYS 53 H LYS 53 6.577 -0.556 -0.207
356 HA LYS 53 HA LYS 53 7.576 1.004 -2.161
357 HB2 LYS 53 1HB LYS 53 5.228 -0.861 -2.170
358 HB3 LYS 53 2HB LYS 53 5.657 0.016 -3.633
359 HG2 LYS 53 1HG LYS 53 7.965 -0.940 -3.412
360 HG3 LYS 53 2HG LYS 53 7.338 -1.964 -2.119
361 HD2 LYS 53 1HD LYS 53 5.698 -2.913 -3.674
362 HD3 LYS 53 2HD LYS 53 6.334 -1.892 -4.966
363 HE2 LYS 53 1HE LYS 53 8.560 -2.987 -4.608
364 HE3 LYS 53 2HE LYS 53 7.763 -4.107 -3.504
365 HZ1 LYS 53 1HZ LYS 53 7.690 -5.262 -5.462
366 HZ2 LYS 53 2HZ LYS 53 7.510 -3.880 -6.420
367 HZ3 LYS 53 3HZ LYS 53 6.197 -4.468 -5.530
368 H HIS 54 H HIS 54 4.302 1.274 -0.834
369 HA HIS 54 HA HIS 54 3.536 3.417 -2.560
370 HB2 HIS 54 1HB HIS 54 1.857 1.948 -1.566
371 HB3 HIS 54 2HB HIS 54 2.333 2.466 0.049
372 HD1 HIS 54 1HD HIS 54 0.828 3.933 -3.112
373 HD2 HIS 54 2HD HIS 54 0.955 4.614 0.984
374 HE1 HIS 54 1HE HIS 54 -0.778 5.822 -2.695
375 H LEU 55 H LEU 55 4.650 3.216 0.799
376 HA LEU 55 HA LEU 55 4.391 5.918 1.461
377 HB2 LEU 55 1HB LEU 55 6.385 3.877 2.430
378 HB3 LEU 55 2HB LEU 55 6.127 5.453 3.175
379 HG LEU 55 HG LEU 55 3.960 3.375 2.938
380 HD11 LEU 55 1HD1 LEU 55 5.724 2.391 4.241
381 HD12 LEU 55 2HD1 LEU 55 4.425 2.893 5.322
382 HD13 LEU 55 3HD1 LEU 55 5.893 3.862 5.198
383 HD21 LEU 55 1HD2 LEU 55 2.826 4.688 4.579
384 HD22 LEU 55 2HD2 LEU 55 3.327 5.766 3.277
385 HD23 LEU 55 3HD2 LEU 55 4.230 5.734 4.792
386 H LYS 56 H LYS 56 6.910 4.198 -0.267
387 HA LYS 56 HA LYS 56 8.589 6.580 -0.381
388 HB2 LYS 56 1HB LYS 56 9.085 3.892 -1.664
389 HB3 LYS 56 2HB LYS 56 10.259 5.172 -1.385
390 HG2 LYS 56 1HG LYS 56 10.502 4.663 0.817
391 HG3 LYS 56 2HG LYS 56 8.849 4.064 0.976
392 HD2 LYS 56 1HD LYS 56 9.965 2.078 1.074
393 HD3 LYS 56 2HD LYS 56 9.768 2.200 -0.675
394 HE2 LYS 56 1HE LYS 56 12.043 3.414 -0.619
395 HE3 LYS 56 2HE LYS 56 12.205 2.719 0.993
396 HZ1 LYS 56 1HZ LYS 56 13.024 1.479 -1.186
397 HZ2 LYS 56 2HZ LYS 56 11.436 0.900 -1.149
398 HZ3 LYS 56 3HZ LYS 56 12.460 0.644 0.173
399 H SER 57 H SER 57 6.043 5.263 -2.093
400 HA SER 57 HA SER 57 6.916 6.053 -4.732
401 HB2 SER 57 1HB SER 57 5.451 4.132 -4.553
402 HB3 SER 57 2HB SER 57 4.239 5.088 -3.700
403 HG SER 57 HG SER 57 4.030 6.351 -5.611
404 H MET 58 H MET 58 4.801 7.289 -2.203
405 HA MET 58 HA MET 58 4.643 9.829 -3.681
406 HB2 MET 58 1HB MET 58 2.369 10.159 -2.899
407 HB3 MET 58 2HB MET 58 2.479 8.647 -3.789
408 HG2 MET 58 1HG MET 58 2.336 7.358 -1.836
409 HG3 MET 58 2HG MET 58 2.668 8.745 -0.800
410 HE1 MET 58 1HE MET 58 0.549 9.118 -3.867
411 HE2 MET 58 2HE MET 58 -0.148 7.535 -3.523
412 HE3 MET 58 3HE MET 58 -1.126 8.991 -3.330
413 H HIS 59 H HIS 59 4.596 8.203 -0.550
414 HA HIS 59 HA HIS 59 4.933 10.719 0.866
415 HB2 HIS 59 1HB HIS 59 4.854 7.878 1.907
416 HB3 HIS 59 2HB HIS 59 4.863 9.333 2.900
417 HD1 HIS 59 1HD HIS 59 2.705 10.988 2.354
418 HD2 HIS 59 2HD HIS 59 2.367 6.962 1.386
419 HE1 HIS 59 1HE HIS 59 0.238 10.555 2.134
420 H ARG 60 H ARG 60 6.988 9.546 -1.005
421 HA ARG 60 HA ARG 60 9.189 8.492 0.249
422 HB2 ARG 60 1HB ARG 60 9.209 8.746 -2.122
423 HB3 ARG 60 2HB ARG 60 9.015 10.490 -2.003
424 HG2 ARG 60 1HG ARG 60 11.222 10.817 -1.352
425 HG3 ARG 60 2HG ARG 60 11.428 9.132 -0.869
426 HD2 ARG 60 1HD ARG 60 11.391 8.416 -3.164
427 HD3 ARG 60 2HD ARG 60 10.990 10.044 -3.708
428 HE ARG 60 HE ARG 60 13.349 10.341 -2.376
429 HH11 ARG 60 2HH1 ARG 60 12.255 8.351 -5.015
430 HH12 ARG 60 1HH1 ARG 60 13.810 8.278 -5.776
431 HH21 ARG 60 2HH2 ARG 60 15.401 10.254 -3.370
432 HH22 ARG 60 1HH2 ARG 60 15.598 9.361 -4.839
433 H GLU 61 H GLU 61 8.149 11.864 0.155
434 HA GLU 61 HA GLU 61 10.461 12.894 1.464
435 HB2 GLU 61 1HB GLU 61 7.701 14.019 1.005
436 HB3 GLU 61 2HB GLU 61 8.967 14.914 1.834
437 HG2 GLU 61 1HG GLU 61 9.179 13.844 -0.970
438 HG3 GLU 61 2HG GLU 61 8.747 15.500 -0.550
439 H GLU 62 H GLU 62 7.245 11.902 2.547
440 HA GLU 62 HA GLU 62 7.382 12.769 5.188
441 HB2 GLU 62 1HB GLU 62 5.418 11.708 3.873
442 HB3 GLU 62 2HB GLU 62 6.071 10.174 4.431
443 HG2 GLU 62 1HG GLU 62 5.333 12.423 6.281
444 HG3 GLU 62 2HG GLU 62 4.220 11.137 5.817
445 H LEU 63 H LEU 63 8.281 9.599 3.840
446 HA LEU 63 HA LEU 63 9.168 8.445 6.229
447 HB2 LEU 63 1HB LEU 63 10.138 7.932 3.421
448 HB3 LEU 63 2HB LEU 63 10.405 6.878 4.808
449 HG LEU 63 HG LEU 63 7.729 7.513 3.564
450 HD11 LEU 63 1HD1 LEU 63 8.440 4.755 3.512
451 HD12 LEU 63 2HD1 LEU 63 9.742 5.694 2.782
452 HD13 LEU 63 3HD1 LEU 63 8.097 5.838 2.163
453 HD21 LEU 63 1HD2 LEU 63 8.511 5.708 5.849
454 HD22 LEU 63 2HD2 LEU 63 6.939 5.678 5.048
455 HD23 LEU 63 3HD2 LEU 63 7.461 7.124 5.915
456 H GLU 64 H GLU 64 11.202 9.756 3.602
457 HA GLU 64 HA GLU 64 13.660 9.650 4.692
458 HB2 GLU 64 1HB GLU 64 12.406 11.899 3.127
459 HB3 GLU 64 2HB GLU 64 14.110 11.895 3.559
460 HG2 GLU 64 1HG GLU 64 14.248 9.640 2.413
461 HG3 GLU 64 2HG GLU 64 12.644 9.985 1.770
462 H LYS 65 H LYS 65 11.283 12.201 5.376
463 HA LYS 65 HA LYS 65 12.756 13.812 7.049
464 HB2 LYS 65 1HB LYS 65 9.836 13.069 7.113
465 HB3 LYS 65 2HB LYS 65 10.522 14.265 8.204
466 HG2 LYS 65 1HG LYS 65 11.097 15.702 6.405
467 HG3 LYS 65 2HG LYS 65 10.734 14.454 5.211
468 HD2 LYS 65 1HD LYS 65 8.356 14.549 6.368
469 HD3 LYS 65 2HD LYS 65 8.891 16.178 6.789
470 HE2 LYS 65 1HE LYS 65 9.426 16.519 4.359
471 HE3 LYS 65 2HE LYS 65 8.631 14.979 4.037
472 HZ1 LYS 65 1HZ LYS 65 6.647 15.986 5.217
473 HZ2 LYS 65 2HZ LYS 65 7.005 16.598 3.682
474 HZ3 LYS 65 3HZ LYS 65 7.428 17.478 5.063
475 H SER 66 H SER 66 10.756 11.027 8.024
476 HA SER 66 HA SER 66 11.682 11.122 10.734
477 HB2 SER 66 1HB SER 66 9.879 9.360 9.144
478 HB3 SER 66 2HB SER 66 10.568 8.700 10.627
479 HG SER 66 HG SER 66 8.464 10.136 10.513
480 H GLY 67 H GLY 67 12.306 8.681 11.551
481 HA2 GLY 67 1HA GLY 67 14.962 8.308 10.478
482 HA3 GLY 67 2HA GLY 67 14.266 7.475 11.860
483 H HIS 68 H HIS 68 13.176 7.680 8.483
484 HA HIS 68 HA HIS 68 13.503 4.759 8.294
485 HB2 HIS 68 1HB HIS 68 11.197 6.393 7.212
486 HB3 HIS 68 2HB HIS 68 11.426 4.664 6.972
487 HD1 HIS 68 1HD HIS 68 11.957 3.603 9.693
488 HD2 HIS 68 2HD HIS 68 9.209 6.644 9.016
489 HE1 HIS 68 1HE HIS 68 10.392 3.545 11.660
490 H GLY 69 H GLY 69 15.404 6.646 7.428
491 HA2 GLY 69 1HA GLY 69 15.303 7.540 4.836
492 HA3 GLY 69 2HA GLY 69 16.768 6.941 5.599
493 H GLN 70 H GLN 70 16.576 4.349 5.803
494 HA GLN 70 HA GLN 70 15.716 3.324 3.185
495 HB2 GLN 70 1HB GLN 70 17.791 1.933 3.134
496 HB3 GLN 70 2HB GLN 70 18.082 3.660 2.975
497 HG2 GLN 70 1HG GLN 70 18.854 3.822 5.213
498 HG3 GLN 70 2HG GLN 70 18.319 2.183 5.580
499 HE21 GLN 70 1HE2 GLN 70 20.721 2.414 6.297
500 HE22 GLN 70 2HE2 GLN 70 21.875 1.820 5.156
501 H SER 71 H SER 71 14.637 1.448 3.254
502 HA SER 71 HA SER 71 14.729 -0.110 5.753
503 HB2 SER 71 1HB SER 71 12.595 1.312 5.245
504 HB3 SER 71 2HB SER 71 12.236 0.032 4.087
505 HG SER 71 HG SER 71 11.421 -0.915 5.783
506 H GLY 72 H GLY 72 16.369 -0.649 3.562
507 HA2 GLY 72 1HA GLY 72 16.243 -3.320 3.199
508 HA3 GLY 72 2HA GLY 72 15.141 -2.728 1.965
509 HA PRO 73 HA PRO 73 19.815 -1.675 1.018
510 HB2 PRO 73 1HB PRO 73 21.304 -3.929 1.294
511 HB3 PRO 73 2HB PRO 73 21.116 -2.737 2.586
512 HG2 PRO 73 1HG PRO 73 19.696 -5.343 2.191
513 HG3 PRO 73 2HG PRO 73 20.359 -4.644 3.680
514 HD2 PRO 73 1HD PRO 73 17.723 -4.540 3.071
515 HD3 PRO 73 2HD PRO 73 18.542 -3.261 3.990
516 H SER 74 H SER 74 19.083 -1.560 -1.082
517 HA SER 74 HA SER 74 19.864 -3.635 -2.853
518 HB2 SER 74 1HB SER 74 17.702 -4.571 -1.994
519 HB3 SER 74 2HB SER 74 16.880 -3.165 -2.671
520 HG SER 74 HG SER 74 17.946 -5.380 -3.936
521 H SER 75 H SER 75 20.760 -2.421 -4.375
522 HA SER 75 HA SER 75 20.266 0.248 -4.895
523 HB2 SER 75 1HB SER 75 22.152 -1.402 -5.739
524 HB3 SER 75 2HB SER 75 21.109 -1.521 -7.156
525 HG SER 75 HG SER 75 21.783 1.002 -6.117
526 H GLY 76 H GLY 76 18.397 1.142 -5.468
527 HA2 GLY 76 1HA GLY 76 17.012 0.095 -7.823
528 HA3 GLY 76 2HA GLY 76 16.089 0.212 -6.332
Start of MODEL 14
1 H1 GLY 1 H GLY 1 4.133 -12.649 16.316
2 HA2 GLY 1 1HA GLY 1 6.444 -14.354 16.577
3 HA3 GLY 1 2HA GLY 1 5.083 -14.596 15.491
4 H SER 2 H SER 2 6.843 -15.249 14.009
5 HA SER 2 HA SER 2 8.438 -13.062 12.931
6 HB2 SER 2 1HB SER 2 8.365 -15.968 12.084
7 HB3 SER 2 2HB SER 2 9.570 -14.767 11.619
8 HG SER 2 HG SER 2 10.475 -14.897 13.550
9 H SER 3 H SER 3 5.714 -12.688 12.573
10 HA SER 3 HA SER 3 4.525 -13.619 10.276
11 HB2 SER 3 1HB SER 3 4.342 -11.069 11.810
12 HB3 SER 3 2HB SER 3 3.590 -11.123 10.215
13 HG SER 3 HG SER 3 2.975 -12.585 12.530
14 H GLY 4 H GLY 4 6.811 -10.923 10.596
15 HA2 GLY 4 1HA GLY 4 7.189 -11.044 7.667
16 HA3 GLY 4 2HA GLY 4 7.159 -9.520 8.542
17 H SER 5 H SER 5 9.236 -8.978 7.810
18 HA SER 5 HA SER 5 11.414 -10.612 8.935
19 HB2 SER 5 1HB SER 5 11.325 -10.289 6.413
20 HB3 SER 5 2HB SER 5 11.691 -8.590 6.708
21 HG SER 5 HG SER 5 13.466 -9.825 8.091
22 H SER 6 H SER 6 10.045 -8.847 10.593
23 HA SER 6 HA SER 6 10.431 -7.231 12.147
24 HB2 SER 6 1HB SER 6 12.621 -8.318 12.405
25 HB3 SER 6 2HB SER 6 13.267 -7.340 11.087
26 HG SER 6 HG SER 6 13.579 -6.624 13.391
27 H GLY 7 H GLY 7 9.360 -6.439 9.695
28 HA2 GLY 7 1HA GLY 7 10.341 -3.668 9.590
29 HA3 GLY 7 2HA GLY 7 10.139 -4.563 8.091
30 H SER 8 H SER 8 8.045 -4.684 10.932
31 HA SER 8 HA SER 8 5.769 -4.040 9.248
32 HB2 SER 8 1HB SER 8 4.429 -4.611 11.256
33 HB3 SER 8 2HB SER 8 5.547 -5.900 10.810
34 HG SER 8 HG SER 8 6.918 -5.229 12.463
35 H GLU 9 H GLU 9 7.591 -1.912 9.639
36 HA GLU 9 HA GLU 9 6.453 -0.144 11.629
37 HB2 GLU 9 1HB GLU 9 8.775 -0.072 9.777
38 HB3 GLU 9 2HB GLU 9 8.089 1.474 10.256
39 HG2 GLU 9 1HG GLU 9 9.614 1.240 11.908
40 HG3 GLU 9 2HG GLU 9 8.266 0.390 12.663
41 H ALA 10 H ALA 10 6.687 -0.253 8.083
42 HA ALA 10 HA ALA 10 5.382 2.060 7.407
43 HB1 ALA 10 1HB ALA 10 6.217 0.918 5.593
44 HB2 ALA 10 2HB ALA 10 5.537 -0.624 6.113
45 HB3 ALA 10 3HB ALA 10 4.488 0.614 5.424
46 H TRP 11 H TRP 11 4.037 -0.827 8.791
47 HA TRP 11 HA TRP 11 1.368 -0.630 8.097
48 HB2 TRP 11 1HB TRP 11 2.845 -1.744 10.426
49 HB3 TRP 11 2HB TRP 11 1.105 -1.534 10.602
50 HD1 TRP 11 HD TRP 11 3.520 -4.030 9.517
51 HE1 TRP 11 1HE TRP 11 2.406 -5.855 8.085
52 HE3 TRP 11 3HE TRP 11 -0.908 -1.682 8.512
53 HZ2 TRP 11 2HZ TRP 11 -0.028 -6.247 6.710
54 HZ3 TRP 11 3HZ TRP 11 -2.576 -2.850 7.130
55 HH2 TRP 11 HH TRP 11 -2.143 -5.085 6.248
56 H GLU 12 H GLU 12 3.206 1.244 10.411
57 HA GLU 12 HA GLU 12 1.138 2.388 11.883
58 HB2 GLU 12 1HB GLU 12 3.766 3.634 11.057
59 HB3 GLU 12 2HB GLU 12 2.713 4.240 12.328
60 HG2 GLU 12 1HG GLU 12 2.991 1.968 13.428
61 HG3 GLU 12 2HG GLU 12 4.302 1.697 12.281
62 H TYR 13 H TYR 13 1.928 2.779 8.599
63 HA TYR 13 HA TYR 13 0.370 5.270 8.428
64 HB2 TYR 13 1HB TYR 13 2.141 4.076 6.291
65 HB3 TYR 13 2HB TYR 13 1.434 5.688 6.314
66 HD1 TYR 13 2HD TYR 13 4.068 3.538 7.689
67 HD2 TYR 13 1HD TYR 13 2.400 7.452 7.660
68 HE1 TYR 13 2HE TYR 13 6.093 4.402 8.785
69 HE2 TYR 13 1HE TYR 13 4.421 8.328 8.755
70 HH TYR 13 HH TYR 13 6.752 6.329 10.179
71 H PHE 14 H PHE 14 -0.501 2.341 8.590
72 HA PHE 14 HA PHE 14 -2.566 2.572 6.570
73 HB2 PHE 14 1HB PHE 14 -0.685 0.205 6.644
74 HB3 PHE 14 2HB PHE 14 -2.182 0.265 5.720
75 HD1 PHE 14 2HD PHE 14 -2.366 1.646 3.736
76 HD2 PHE 14 1HD PHE 14 1.262 1.441 5.951
77 HE1 PHE 14 2HE PHE 14 -1.160 2.663 1.848
78 HE2 PHE 14 1HE PHE 14 2.474 2.459 4.067
79 HZ PHE 14 HZ PHE 14 1.263 3.070 2.012
80 H HIS 15 H HIS 15 -4.351 1.128 6.925
81 HA HIS 15 HA HIS 15 -4.349 -0.362 9.435
82 HB2 HIS 15 1HB HIS 15 -5.973 0.851 10.500
83 HB3 HIS 15 2HB HIS 15 -5.218 2.153 9.586
84 HD1 HIS 15 1HD HIS 15 -8.024 -0.348 8.936
85 HD2 HIS 15 2HD HIS 15 -7.077 3.654 8.344
86 HE1 HIS 15 1HE HIS 15 -10.038 0.662 7.818
87 H LEU 16 H LEU 16 -5.387 -2.239 9.231
88 HA LEU 16 HA LEU 16 -6.555 -2.997 6.758
89 HB2 LEU 16 1HB LEU 16 -6.405 -4.315 9.453
90 HB3 LEU 16 2HB LEU 16 -7.229 -5.063 8.086
91 HG LEU 16 HG LEU 16 -4.309 -4.305 8.113
92 HD11 LEU 16 1HD1 LEU 16 -5.276 -7.119 8.185
93 HD12 LEU 16 2HD1 LEU 16 -5.216 -6.199 9.687
94 HD13 LEU 16 3HD1 LEU 16 -3.748 -6.434 8.739
95 HD21 LEU 16 1HD2 LEU 16 -5.041 -4.347 5.882
96 HD22 LEU 16 2HD2 LEU 16 -6.081 -5.745 6.159
97 HD23 LEU 16 3HD2 LEU 16 -4.327 -5.936 6.157
98 H ALA 17 H ALA 17 -8.668 -3.302 6.175
99 HA ALA 17 HA ALA 17 -10.656 -1.999 7.889
100 HB1 ALA 17 1HB ALA 17 -10.790 -0.993 5.824
101 HB2 ALA 17 2HB ALA 17 -10.453 -2.490 4.953
102 HB3 ALA 17 3HB ALA 17 -12.036 -2.234 5.688
103 HA PRO 18 HA PRO 18 -12.710 -5.746 8.906
104 HB2 PRO 18 1HB PRO 18 -15.274 -4.875 9.108
105 HB3 PRO 18 2HB PRO 18 -14.031 -4.491 10.306
106 HG2 PRO 18 1HG PRO 18 -15.065 -2.820 8.047
107 HG3 PRO 18 2HG PRO 18 -14.703 -2.344 9.716
108 HD2 PRO 18 1HD PRO 18 -13.009 -1.853 7.661
109 HD3 PRO 18 2HD PRO 18 -12.440 -2.178 9.311
110 H ALA 19 H ALA 19 -13.657 -7.452 7.905
111 HA ALA 19 HA ALA 19 -14.269 -7.213 5.106
112 HB1 ALA 19 1HB ALA 19 -14.810 -9.722 5.436
113 HB2 ALA 19 2HB ALA 19 -13.139 -9.177 5.591
114 HB3 ALA 19 3HB ALA 19 -14.101 -9.494 7.035
115 H ARG 20 H ARG 20 -16.145 -6.079 4.807
116 HA ARG 20 HA ARG 20 -18.568 -7.106 6.121
117 HB2 ARG 20 1HB ARG 20 -18.159 -4.462 4.712
118 HB3 ARG 20 2HB ARG 20 -19.600 -4.962 5.588
119 HG2 ARG 20 1HG ARG 20 -18.127 -5.149 7.636
120 HG3 ARG 20 2HG ARG 20 -16.887 -4.315 6.697
121 HD2 ARG 20 1HD ARG 20 -18.075 -2.343 6.628
122 HD3 ARG 20 2HD ARG 20 -19.627 -3.149 6.853
123 HE ARG 20 HE ARG 20 -17.831 -2.231 8.908
124 HH11 ARG 20 2HH1 ARG 20 -20.433 -4.407 8.121
125 HH12 ARG 20 1HH1 ARG 20 -20.977 -4.557 9.759
126 HH21 ARG 20 2HH2 ARG 20 -18.538 -2.421 11.068
127 HH22 ARG 20 1HH2 ARG 20 -19.898 -3.426 11.435
128 H ALA 21 H ALA 21 -17.267 -6.082 2.987
129 HA ALA 21 HA ALA 21 -19.437 -6.503 1.354
130 HB1 ALA 21 1HB ALA 21 -16.517 -6.555 0.992
131 HB2 ALA 21 2HB ALA 21 -17.454 -7.388 -0.249
132 HB3 ALA 21 3HB ALA 21 -17.761 -5.686 0.093
133 H GLY 22 H GLY 22 -16.963 -8.923 2.231
134 HA2 GLY 22 1HA GLY 22 -18.681 -11.050 2.643
135 HA3 GLY 22 2HA GLY 22 -18.308 -11.068 0.926
136 H HIS 23 H HIS 23 -15.933 -10.990 0.390
137 HA HIS 23 HA HIS 23 -14.605 -13.187 1.330
138 HB2 HIS 23 1HB HIS 23 -13.729 -10.699 -0.052
139 HB3 HIS 23 2HB HIS 23 -12.479 -11.747 0.611
140 HD1 HIS 23 1HD HIS 23 -15.567 -12.198 -1.579
141 HD2 HIS 23 2HD HIS 23 -11.671 -13.587 -1.184
142 HE1 HIS 23 1HE HIS 23 -15.225 -13.795 -3.491
143 H HIS 24 H HIS 24 -12.991 -13.599 2.839
144 HA HIS 24 HA HIS 24 -13.215 -12.499 5.346
145 HB2 HIS 24 1HB HIS 24 -11.547 -13.924 5.959
146 HB3 HIS 24 2HB HIS 24 -11.843 -14.585 4.354
147 HD1 HIS 24 1HD HIS 24 -10.314 -12.577 2.630
148 HD2 HIS 24 2HD HIS 24 -8.851 -14.154 6.184
149 HE1 HIS 24 1HE HIS 24 -7.813 -12.357 2.484
150 HA PRO 25 HA PRO 25 -11.097 -8.658 5.433
151 HB2 PRO 25 1HB PRO 25 -9.920 -8.715 7.879
152 HB3 PRO 25 2HB PRO 25 -11.662 -8.515 7.656
153 HG2 PRO 25 1HG PRO 25 -10.111 -10.982 8.343
154 HG3 PRO 25 2HG PRO 25 -11.641 -10.397 9.022
155 HD2 PRO 25 1HD PRO 25 -11.530 -12.353 7.153
156 HD3 PRO 25 2HD PRO 25 -12.880 -11.204 7.254
157 H ASN 26 H ASN 26 -8.782 -7.836 6.484
158 HA ASN 26 HA ASN 26 -6.547 -7.689 6.086
159 HB2 ASN 26 1HB ASN 26 -7.000 -10.590 6.557
160 HB3 ASN 26 2HB ASN 26 -5.451 -10.125 5.860
161 HD21 ASN 26 1HD2 ASN 26 -7.617 -8.827 8.358
162 HD22 ASN 26 2HD2 ASN 26 -6.393 -8.651 9.565
163 H GLN 27 H GLN 27 -8.196 -7.428 3.855
164 HA GLN 27 HA GLN 27 -6.724 -8.820 1.726
165 HB2 GLN 27 1HB GLN 27 -8.630 -8.005 0.270
166 HB3 GLN 27 2HB GLN 27 -9.048 -9.208 1.483
167 HG2 GLN 27 1HG GLN 27 -9.942 -7.471 2.926
168 HG3 GLN 27 2HG GLN 27 -9.484 -6.242 1.749
169 HE21 GLN 27 1HE2 GLN 27 -10.258 -7.243 -0.599
170 HE22 GLN 27 2HE2 GLN 27 -11.965 -7.504 -0.634
171 H TYR 28 H TYR 28 -7.897 -5.624 2.712
172 HA TYR 28 HA TYR 28 -5.783 -4.434 1.044
173 HB2 TYR 28 1HB TYR 28 -8.677 -3.671 1.252
174 HB3 TYR 28 2HB TYR 28 -7.470 -2.450 0.866
175 HD1 TYR 28 2HD TYR 28 -8.844 -5.712 -0.259
176 HD2 TYR 28 1HD TYR 28 -6.658 -2.221 -1.324
177 HE1 TYR 28 2HE TYR 28 -8.921 -6.392 -2.622
178 HE2 TYR 28 1HE TYR 28 -6.730 -2.890 -3.690
179 HH TYR 28 HH TYR 28 -8.538 -4.540 -5.080
180 H ALA 29 H ALA 29 -4.842 -2.521 1.835
181 HA ALA 29 HA ALA 29 -5.317 -2.052 4.706
182 HB1 ALA 29 1HB ALA 29 -3.063 -1.742 5.058
183 HB2 ALA 29 2HB ALA 29 -3.053 -2.991 3.812
184 HB3 ALA 29 3HB ALA 29 -2.750 -1.309 3.377
185 H THR 30 H THR 30 -6.022 -0.108 5.293
186 HA THR 30 HA THR 30 -6.259 1.982 3.291
187 HB THR 30 HB THR 30 -7.214 2.005 6.160
188 HG1 THR 30 1HG THR 30 -8.237 0.340 5.004
189 HG21 THR 30 1HG2 THR 30 -8.265 3.973 5.726
190 HG22 THR 30 2HG2 THR 30 -8.534 3.579 4.028
191 HG23 THR 30 3HG2 THR 30 -6.951 4.142 4.563
192 H CYS 31 H CYS 31 -4.611 3.326 2.995
193 HA CYS 31 HA CYS 31 -2.504 3.715 4.825
194 HB2 CYS 31 1HB CYS 31 -2.485 4.089 2.298
195 HB3 CYS 31 2HB CYS 31 -3.251 5.640 2.627
196 H ARG 32 H ARG 32 -2.287 5.030 6.517
197 HA ARG 32 HA ARG 32 -4.497 6.748 7.255
198 HB2 ARG 32 1HB ARG 32 -1.923 6.022 8.659
199 HB3 ARG 32 2HB ARG 32 -3.127 7.110 9.336
200 HG2 ARG 32 1HG ARG 32 -4.783 5.303 9.270
201 HG3 ARG 32 2HG ARG 32 -3.550 4.215 8.628
202 HD2 ARG 32 1HD ARG 32 -2.223 4.505 10.649
203 HD3 ARG 32 2HD ARG 32 -3.416 5.637 11.285
204 HE ARG 32 HE ARG 32 -4.917 3.473 10.902
205 HH11 ARG 32 2HH1 ARG 32 -1.769 3.823 12.347
206 HH12 ARG 32 1HH1 ARG 32 -1.973 2.485 13.428
207 HH21 ARG 32 2HH2 ARG 32 -5.198 1.710 12.321
208 HH22 ARG 32 1HH2 ARG 32 -3.923 1.283 13.412
209 H LEU 33 H LEU 33 -1.747 7.105 5.423
210 HA LEU 33 HA LEU 33 -1.096 9.804 6.241
211 HB2 LEU 33 1HB LEU 33 -0.100 7.959 4.097
212 HB3 LEU 33 2HB LEU 33 0.360 9.660 4.126
213 HG LEU 33 HG LEU 33 0.902 7.688 6.345
214 HD11 LEU 33 1HD1 LEU 33 3.109 7.517 5.580
215 HD12 LEU 33 2HD1 LEU 33 2.920 8.868 4.462
216 HD13 LEU 33 3HD1 LEU 33 2.117 7.332 4.134
217 HD21 LEU 33 1HD2 LEU 33 2.608 9.909 6.458
218 HD22 LEU 33 2HD2 LEU 33 1.308 9.491 7.573
219 HD23 LEU 33 3HD2 LEU 33 0.987 10.553 6.202
220 H CYS 34 H CYS 34 -2.299 8.293 3.240
221 HA CYS 34 HA CYS 34 -3.418 10.899 2.465
222 HB2 CYS 34 1HB CYS 34 -3.527 9.965 0.181
223 HB3 CYS 34 2HB CYS 34 -1.889 9.942 0.827
224 H GLY 35 H GLY 35 -4.210 7.451 2.715
225 HA2 GLY 35 1HA GLY 35 -6.359 6.845 3.683
226 HA3 GLY 35 2HA GLY 35 -7.055 8.229 2.853
227 H ARG 36 H ARG 36 -4.772 6.028 1.361
228 HA ARG 36 HA ARG 36 -6.923 5.144 -0.444
229 HB2 ARG 36 1HB ARG 36 -4.047 5.798 -0.869
230 HB3 ARG 36 2HB ARG 36 -4.758 4.536 -1.865
231 HG2 ARG 36 1HG ARG 36 -6.626 6.340 -2.253
232 HG3 ARG 36 2HG ARG 36 -5.331 7.451 -1.799
233 HD2 ARG 36 1HD ARG 36 -3.940 6.081 -3.531
234 HD3 ARG 36 2HD ARG 36 -5.525 5.615 -4.148
235 HE ARG 36 HE ARG 36 -5.157 8.456 -3.797
236 HH11 ARG 36 2HH1 ARG 36 -4.851 5.741 -5.955
237 HH12 ARG 36 1HH1 ARG 36 -4.892 6.710 -7.390
238 HH21 ARG 36 2HH2 ARG 36 -5.213 9.743 -5.680
239 HH22 ARG 36 1HH2 ARG 36 -5.097 8.986 -7.233
240 H GLN 37 H GLN 37 -7.148 2.983 -0.947
241 HA GLN 37 HA GLN 37 -6.095 1.141 1.010
242 HB2 GLN 37 1HB GLN 37 -7.945 0.694 -1.339
243 HB3 GLN 37 2HB GLN 37 -7.549 -0.514 -0.123
244 HG2 GLN 37 1HG GLN 37 -8.503 1.023 1.598
245 HG3 GLN 37 2HG GLN 37 -9.051 2.058 0.280
246 HE21 GLN 37 1HE2 GLN 37 -10.076 -0.159 2.381
247 HE22 GLN 37 2HE2 GLN 37 -11.358 -0.886 1.479
248 H VAL 38 H VAL 38 -4.404 -0.166 0.765
249 HA VAL 38 HA VAL 38 -3.376 -0.636 -1.957
250 HB VAL 38 HB VAL 38 -1.733 -0.158 0.533
251 HG11 VAL 38 1HG1 VAL 38 -0.368 -1.604 -0.571
252 HG12 VAL 38 2HG1 VAL 38 -1.071 -1.240 -2.148
253 HG13 VAL 38 3HG1 VAL 38 0.077 -0.120 -1.413
254 HG21 VAL 38 1HG2 VAL 38 -0.872 1.705 -1.142
255 HG22 VAL 38 2HG2 VAL 38 -2.505 1.532 -1.785
256 HG23 VAL 38 3HG2 VAL 38 -2.266 1.971 -0.094
257 H SER 39 H SER 39 -3.950 -2.701 -2.319
258 HA SER 39 HA SER 39 -3.994 -4.697 -0.275
259 HB2 SER 39 1HB SER 39 -4.370 -6.259 -2.236
260 HB3 SER 39 2HB SER 39 -5.543 -4.951 -2.077
261 HG SER 39 HG SER 39 -4.725 -5.264 -4.239
262 H ARG 40 H ARG 40 -2.581 -6.366 0.110
263 HA ARG 40 HA ARG 40 0.130 -5.944 -0.149
264 HB2 ARG 40 1HB ARG 40 -1.314 -8.589 0.109
265 HB3 ARG 40 2HB ARG 40 0.403 -8.344 0.403
266 HG2 ARG 40 1HG ARG 40 -1.700 -6.827 1.912
267 HG3 ARG 40 2HG ARG 40 -1.131 -8.417 2.425
268 HD2 ARG 40 1HD ARG 40 0.742 -6.128 1.892
269 HD3 ARG 40 2HD ARG 40 0.000 -6.391 3.470
270 HE ARG 40 HE ARG 40 2.091 -7.970 2.236
271 HH11 ARG 40 2HH1 ARG 40 -0.326 -7.760 4.733
272 HH12 ARG 40 1HH1 ARG 40 0.425 -8.952 5.741
273 HH21 ARG 40 2HH2 ARG 40 3.089 -9.542 3.554
274 HH22 ARG 40 1HH2 ARG 40 2.367 -9.965 5.070
275 H GLY 41 H GLY 41 -1.754 -8.338 -2.020
276 HA2 GLY 41 1HA GLY 41 -1.432 -8.143 -4.508
277 HA3 GLY 41 2HA GLY 41 0.287 -8.098 -4.143
278 HA PRO 42 HA PRO 42 -1.127 -12.496 -4.980
279 HB2 PRO 42 1HB PRO 42 0.535 -12.941 -7.080
280 HB3 PRO 42 2HB PRO 42 -1.087 -12.264 -7.266
281 HG2 PRO 42 1HG PRO 42 1.556 -10.860 -7.208
282 HG3 PRO 42 2HG PRO 42 0.169 -10.590 -8.280
283 HD2 PRO 42 1HD PRO 42 0.688 -9.010 -6.142
284 HD3 PRO 42 2HD PRO 42 -0.962 -9.340 -6.707
285 H GLY 43 H GLY 43 2.159 -11.143 -5.324
286 HA2 GLY 43 1HA GLY 43 3.094 -13.088 -3.338
287 HA3 GLY 43 2HA GLY 43 3.885 -13.064 -4.907
288 H VAL 44 H VAL 44 2.771 -10.522 -2.669
289 HA VAL 44 HA VAL 44 4.788 -8.700 -3.222
290 HB VAL 44 HB VAL 44 2.742 -8.165 -1.936
291 HG11 VAL 44 1HG1 VAL 44 2.957 -8.583 0.595
292 HG12 VAL 44 2HG1 VAL 44 2.444 -9.922 -0.434
293 HG13 VAL 44 3HG1 VAL 44 4.110 -9.838 0.141
294 HG21 VAL 44 1HG2 VAL 44 4.259 -6.999 0.013
295 HG22 VAL 44 2HG2 VAL 44 5.459 -7.334 -1.235
296 HG23 VAL 44 3HG2 VAL 44 4.037 -6.363 -1.617
297 H ASN 45 H ASN 45 6.778 -8.236 -2.337
298 HA ASN 45 HA ASN 45 8.236 -10.462 -1.275
299 HB2 ASN 45 1HB ASN 45 9.302 -7.654 -1.369
300 HB3 ASN 45 2HB ASN 45 10.164 -9.172 -1.597
301 HD21 ASN 45 1HD2 ASN 45 8.896 -10.485 -3.475
302 HD22 ASN 45 2HD2 ASN 45 8.798 -9.585 -4.946
303 H VAL 46 H VAL 46 8.461 -10.995 0.788
304 HA VAL 46 HA VAL 46 7.234 -9.758 2.919
305 HB VAL 46 HB VAL 46 9.751 -11.428 3.013
306 HG11 VAL 46 1HG1 VAL 46 8.664 -9.972 5.061
307 HG12 VAL 46 2HG1 VAL 46 7.904 -11.551 5.273
308 HG13 VAL 46 3HG1 VAL 46 9.663 -11.413 5.249
309 HG21 VAL 46 1HG2 VAL 46 8.471 -13.142 2.418
310 HG22 VAL 46 2HG2 VAL 46 7.457 -12.864 3.835
311 HG23 VAL 46 3HG2 VAL 46 7.067 -12.081 2.304
312 H GLY 47 H GLY 47 10.662 -9.484 1.976
313 HA2 GLY 47 1HA GLY 47 11.632 -7.843 3.926
314 HA3 GLY 47 2HA GLY 47 12.129 -7.725 2.244
315 H THR 48 H THR 48 10.649 -6.418 0.823
316 HA THR 48 HA THR 48 10.105 -3.903 2.165
317 HB THR 48 HB THR 48 9.843 -4.555 -0.776
318 HG1 THR 48 1HG THR 48 11.940 -3.876 -0.971
319 HG21 THR 48 1HG2 THR 48 10.516 -1.832 0.076
320 HG22 THR 48 2HG2 THR 48 8.912 -2.369 0.575
321 HG23 THR 48 3HG2 THR 48 9.357 -2.388 -1.131
322 H THR 49 H THR 49 8.242 -4.443 3.369
323 HA THR 49 HA THR 49 5.944 -5.677 2.590
324 HB THR 49 HB THR 49 5.762 -3.114 4.148
325 HG1 THR 49 1HG THR 49 7.511 -4.102 5.089
326 HG21 THR 49 1HG2 THR 49 4.277 -4.771 5.523
327 HG22 THR 49 2HG2 THR 49 4.290 -5.714 4.033
328 HG23 THR 49 3HG2 THR 49 3.660 -4.068 4.029
329 H ALA 50 H ALA 50 4.433 -5.358 1.094
330 HA ALA 50 HA ALA 50 4.458 -3.692 -0.991
331 HB1 ALA 50 1HB ALA 50 1.740 -3.732 -0.369
332 HB2 ALA 50 2HB ALA 50 2.622 -4.885 -1.372
333 HB3 ALA 50 3HB ALA 50 2.400 -5.201 0.349
334 H LEU 51 H LEU 51 3.325 -2.829 2.227
335 HA LEU 51 HA LEU 51 2.115 -0.389 1.683
336 HB2 LEU 51 1HB LEU 51 3.794 -0.990 4.109
337 HB3 LEU 51 2HB LEU 51 2.469 0.166 3.984
338 HG LEU 51 HG LEU 51 2.121 -2.818 3.731
339 HD11 LEU 51 1HD1 LEU 51 2.275 -1.056 6.101
340 HD12 LEU 51 2HD1 LEU 51 2.660 -2.768 5.929
341 HD13 LEU 51 3HD1 LEU 51 0.980 -2.253 6.076
342 HD21 LEU 51 1HD2 LEU 51 -0.077 -2.436 3.456
343 HD22 LEU 51 2HD2 LEU 51 0.460 -0.849 2.903
344 HD23 LEU 51 3HD2 LEU 51 -0.086 -1.065 4.566
345 H TRP 52 H TRP 52 5.504 -0.987 2.612
346 HA TRP 52 HA TRP 52 6.498 1.555 2.569
347 HB2 TRP 52 1HB TRP 52 7.752 -1.032 1.662
348 HB3 TRP 52 2HB TRP 52 8.655 0.479 1.705
349 HD1 TRP 52 HD TRP 52 7.597 -2.366 3.868
350 HE1 TRP 52 1HE TRP 52 8.316 -1.940 6.302
351 HE3 TRP 52 3HE TRP 52 8.904 2.560 3.477
352 HZ2 TRP 52 2HZ TRP 52 9.306 0.201 7.852
353 HZ3 TRP 52 3HZ TRP 52 9.728 3.725 5.482
354 HH2 TRP 52 HH TRP 52 9.923 2.568 7.623
355 H LYS 53 H LYS 53 6.311 -0.619 -0.250
356 HA LYS 53 HA LYS 53 7.351 0.884 -2.232
357 HB2 LYS 53 1HB LYS 53 4.939 -0.895 -2.190
358 HB3 LYS 53 2HB LYS 53 5.370 -0.042 -3.666
359 HG2 LYS 53 1HG LYS 53 7.401 -1.185 -3.869
360 HG3 LYS 53 2HG LYS 53 7.354 -1.743 -2.195
361 HD2 LYS 53 1HD LYS 53 5.747 -3.360 -2.649
362 HD3 LYS 53 2HD LYS 53 5.215 -2.556 -4.128
363 HE2 LYS 53 1HE LYS 53 8.018 -3.538 -3.988
364 HE3 LYS 53 2HE LYS 53 6.730 -4.727 -4.182
365 HZ1 LYS 53 1HZ LYS 53 5.948 -3.355 -6.101
366 HZ2 LYS 53 2HZ LYS 53 7.443 -4.111 -6.334
367 HZ3 LYS 53 3HZ LYS 53 7.377 -2.458 -5.977
368 H HIS 54 H HIS 54 4.102 1.284 -0.873
369 HA HIS 54 HA HIS 54 3.416 3.456 -2.603
370 HB2 HIS 54 1HB HIS 54 1.664 2.067 -1.657
371 HB3 HIS 54 2HB HIS 54 2.166 2.492 -0.023
372 HD1 HIS 54 1HD HIS 54 0.596 4.055 -3.087
373 HD2 HIS 54 2HD HIS 54 1.030 4.773 0.982
374 HE1 HIS 54 1HE HIS 54 -0.882 6.028 -2.591
375 H LEU 55 H LEU 55 4.600 3.175 0.716
376 HA LEU 55 HA LEU 55 4.393 5.877 1.432
377 HB2 LEU 55 1HB LEU 55 6.329 3.758 2.346
378 HB3 LEU 55 2HB LEU 55 6.154 5.337 3.109
379 HG LEU 55 HG LEU 55 3.876 3.383 2.892
380 HD11 LEU 55 1HD1 LEU 55 4.594 3.228 5.475
381 HD12 LEU 55 2HD1 LEU 55 6.181 3.413 4.731
382 HD13 LEU 55 3HD1 LEU 55 5.129 2.084 4.244
383 HD21 LEU 55 1HD2 LEU 55 4.185 5.414 5.038
384 HD22 LEU 55 2HD2 LEU 55 2.725 4.786 4.274
385 HD23 LEU 55 3HD2 LEU 55 3.725 5.969 3.428
386 H LYS 56 H LYS 56 6.832 4.123 -0.369
387 HA LYS 56 HA LYS 56 8.582 6.454 -0.459
388 HB2 LYS 56 1HB LYS 56 8.961 3.770 -1.793
389 HB3 LYS 56 2HB LYS 56 10.181 5.013 -1.548
390 HG2 LYS 56 1HG LYS 56 10.483 4.484 0.642
391 HG3 LYS 56 2HG LYS 56 8.820 3.932 0.854
392 HD2 LYS 56 1HD LYS 56 9.269 1.850 -0.126
393 HD3 LYS 56 2HD LYS 56 10.774 2.419 -0.851
394 HE2 LYS 56 1HE LYS 56 10.319 2.175 2.118
395 HE3 LYS 56 2HE LYS 56 11.063 0.917 1.131
396 HZ1 LYS 56 1HZ LYS 56 12.141 3.660 1.108
397 HZ2 LYS 56 2HZ LYS 56 12.922 2.206 0.741
398 HZ3 LYS 56 3HZ LYS 56 12.562 2.590 2.349
399 H SER 57 H SER 57 5.963 5.265 -2.151
400 HA SER 57 HA SER 57 6.814 6.079 -4.789
401 HB2 SER 57 1HB SER 57 5.239 4.192 -4.469
402 HB3 SER 57 2HB SER 57 4.054 5.315 -3.802
403 HG SER 57 HG SER 57 5.129 5.936 -6.292
404 H MET 58 H MET 58 4.678 7.303 -2.250
405 HA MET 58 HA MET 58 4.639 9.894 -3.651
406 HB2 MET 58 1HB MET 58 2.386 10.285 -2.865
407 HB3 MET 58 2HB MET 58 2.435 8.765 -3.748
408 HG2 MET 58 1HG MET 58 2.216 7.492 -1.812
409 HG3 MET 58 2HG MET 58 2.690 8.830 -0.768
410 HE1 MET 58 1HE MET 58 -1.141 9.405 -3.176
411 HE2 MET 58 2HE MET 58 0.514 9.281 -3.773
412 HE3 MET 58 3HE MET 58 -0.379 7.822 -3.341
413 H HIS 59 H HIS 59 4.623 8.189 -0.569
414 HA HIS 59 HA HIS 59 5.042 10.665 0.904
415 HB2 HIS 59 1HB HIS 59 4.927 7.817 1.918
416 HB3 HIS 59 2HB HIS 59 4.905 9.275 2.905
417 HD1 HIS 59 1HD HIS 59 2.749 10.933 2.185
418 HD2 HIS 59 2HD HIS 59 2.449 6.847 1.495
419 HE1 HIS 59 1HE HIS 59 0.288 10.468 1.960
420 H ARG 60 H ARG 60 7.036 9.532 -1.021
421 HA ARG 60 HA ARG 60 9.220 8.379 0.239
422 HB2 ARG 60 1HB ARG 60 9.364 8.467 -2.085
423 HB3 ARG 60 2HB ARG 60 8.935 10.171 -2.146
424 HG2 ARG 60 1HG ARG 60 11.257 9.875 -2.727
425 HG3 ARG 60 2HG ARG 60 11.125 10.741 -1.194
426 HD2 ARG 60 1HD ARG 60 11.966 8.999 0.020
427 HD3 ARG 60 2HD ARG 60 11.356 7.783 -1.101
428 HE ARG 60 HE ARG 60 13.914 9.083 -1.181
429 HH11 ARG 60 2HH1 ARG 60 11.476 7.458 -3.061
430 HH12 ARG 60 1HH1 ARG 60 12.579 6.958 -4.300
431 HH21 ARG 60 2HH2 ARG 60 15.376 8.431 -2.806
432 HH22 ARG 60 1HH2 ARG 60 14.798 7.511 -4.153
433 H GLU 61 H GLU 61 8.179 11.729 0.160
434 HA GLU 61 HA GLU 61 10.580 12.762 1.338
435 HB2 GLU 61 1HB GLU 61 7.849 14.047 1.158
436 HB3 GLU 61 2HB GLU 61 9.368 14.866 1.496
437 HG2 GLU 61 1HG GLU 61 9.190 15.340 -0.708
438 HG3 GLU 61 2HG GLU 61 10.040 13.800 -0.827
439 H GLU 62 H GLU 62 7.366 11.873 2.511
440 HA GLU 62 HA GLU 62 7.621 12.818 5.134
441 HB2 GLU 62 1HB GLU 62 5.461 12.179 4.368
442 HB3 GLU 62 2HB GLU 62 6.009 10.560 3.955
443 HG2 GLU 62 1HG GLU 62 4.885 10.157 5.901
444 HG3 GLU 62 2HG GLU 62 6.524 10.392 6.505
445 H LEU 63 H LEU 63 8.503 9.708 3.697
446 HA LEU 63 HA LEU 63 9.223 8.373 6.048
447 HB2 LEU 63 1HB LEU 63 10.347 8.078 3.267
448 HB3 LEU 63 2HB LEU 63 10.592 6.934 4.584
449 HG LEU 63 HG LEU 63 7.986 7.571 3.205
450 HD11 LEU 63 1HD1 LEU 63 9.041 4.830 3.331
451 HD12 LEU 63 2HD1 LEU 63 9.958 5.952 2.327
452 HD13 LEU 63 3HD1 LEU 63 8.244 5.684 2.011
453 HD21 LEU 63 1HD2 LEU 63 7.380 5.457 4.684
454 HD22 LEU 63 2HD2 LEU 63 7.198 7.104 5.290
455 HD23 LEU 63 3HD2 LEU 63 8.615 6.151 5.735
456 H GLU 64 H GLU 64 11.381 9.972 3.695
457 HA GLU 64 HA GLU 64 13.775 9.745 4.951
458 HB2 GLU 64 1HB GLU 64 12.693 12.184 3.532
459 HB3 GLU 64 2HB GLU 64 14.386 11.947 3.943
460 HG2 GLU 64 1HG GLU 64 14.069 9.712 2.610
461 HG3 GLU 64 2HG GLU 64 12.725 10.591 1.884
462 H LYS 65 H LYS 65 11.262 12.130 5.679
463 HA LYS 65 HA LYS 65 12.610 13.686 7.532
464 HB2 LYS 65 1HB LYS 65 10.356 14.191 6.651
465 HB3 LYS 65 2HB LYS 65 9.697 12.873 7.611
466 HG2 LYS 65 1HG LYS 65 9.229 14.633 8.975
467 HG3 LYS 65 2HG LYS 65 10.825 14.194 9.588
468 HD2 LYS 65 1HD LYS 65 10.958 16.506 9.334
469 HD3 LYS 65 2HD LYS 65 11.715 15.889 7.864
470 HE2 LYS 65 1HE LYS 65 9.454 16.121 6.758
471 HE3 LYS 65 2HE LYS 65 8.938 17.004 8.194
472 HZ1 LYS 65 1HZ LYS 65 9.638 18.724 6.916
473 HZ2 LYS 65 2HZ LYS 65 10.790 17.809 6.082
474 HZ3 LYS 65 3HZ LYS 65 11.116 18.354 7.650
475 H SER 66 H SER 66 10.705 10.737 8.110
476 HA SER 66 HA SER 66 11.499 10.678 10.895
477 HB2 SER 66 1HB SER 66 9.236 9.879 9.762
478 HB3 SER 66 2HB SER 66 10.126 8.367 9.592
479 HG SER 66 HG SER 66 8.870 9.192 11.711
480 H GLY 67 H GLY 67 13.637 10.524 8.998
481 HA2 GLY 67 1HA GLY 67 15.567 9.338 8.630
482 HA3 GLY 67 2HA GLY 67 15.170 8.467 10.104
483 H HIS 68 H HIS 68 14.130 6.476 9.981
484 HA HIS 68 HA HIS 68 14.096 4.366 9.029
485 HB2 HIS 68 1HB HIS 68 12.110 6.054 7.525
486 HB3 HIS 68 2HB HIS 68 12.260 4.327 7.215
487 HD1 HIS 68 1HD HIS 68 12.556 3.283 10.080
488 HD2 HIS 68 2HD HIS 68 9.790 6.166 8.937
489 HE1 HIS 68 1HE HIS 68 10.731 3.187 11.807
490 H GLY 69 H GLY 69 16.330 5.766 8.049
491 HA2 GLY 69 1HA GLY 69 16.500 5.763 5.225
492 HA3 GLY 69 2HA GLY 69 17.861 5.744 6.337
493 H GLN 70 H GLN 70 17.683 3.394 7.611
494 HA GLN 70 HA GLN 70 18.108 1.484 5.435
495 HB2 GLN 70 1HB GLN 70 18.965 1.452 8.331
496 HB3 GLN 70 2HB GLN 70 19.258 0.132 7.207
497 HG2 GLN 70 1HG GLN 70 20.354 2.047 5.772
498 HG3 GLN 70 2HG GLN 70 20.509 2.820 7.349
499 HE21 GLN 70 1HE2 GLN 70 21.724 0.458 5.225
500 HE22 GLN 70 2HE2 GLN 70 22.957 -0.175 6.255
501 H SER 71 H SER 71 15.788 1.199 5.147
502 HA SER 71 HA SER 71 14.438 -0.274 7.285
503 HB2 SER 71 1HB SER 71 12.403 0.020 5.903
504 HB3 SER 71 2HB SER 71 13.179 1.560 6.276
505 HG SER 71 HG SER 71 12.971 0.205 3.844
506 H GLY 72 H GLY 72 16.546 -1.629 6.055
507 HA2 GLY 72 1HA GLY 72 16.515 -4.011 5.656
508 HA3 GLY 72 2HA GLY 72 15.055 -3.784 4.704
509 HA PRO 73 HA PRO 73 18.939 -3.915 2.008
510 HB2 PRO 73 1HB PRO 73 18.407 -6.267 0.760
511 HB3 PRO 73 2HB PRO 73 19.339 -6.164 2.259
512 HG2 PRO 73 1HG PRO 73 16.453 -6.854 1.866
513 HG3 PRO 73 2HG PRO 73 17.650 -7.614 2.930
514 HD2 PRO 73 1HD PRO 73 15.816 -5.840 3.835
515 HD3 PRO 73 2HD PRO 73 17.437 -5.983 4.545
516 H SER 74 H SER 74 18.764 -2.817 0.161
517 HA SER 74 HA SER 74 16.405 -3.249 -1.538
518 HB2 SER 74 1HB SER 74 16.317 -1.124 -0.055
519 HB3 SER 74 2HB SER 74 17.546 -0.492 -1.150
520 HG SER 74 HG SER 74 16.028 -0.128 -2.542
521 H SER 75 H SER 75 17.003 -3.804 -3.515
522 HA SER 75 HA SER 75 19.734 -3.452 -4.382
523 HB2 SER 75 1HB SER 75 18.250 -5.510 -4.804
524 HB3 SER 75 2HB SER 75 17.486 -4.545 -6.067
525 HG SER 75 HG SER 75 19.087 -5.193 -7.256
526 H GLY 76 H GLY 76 18.581 -0.980 -4.019
527 HA2 GLY 76 1HA GLY 76 18.313 1.044 -5.066
528 HA3 GLY 76 2HA GLY 76 19.142 0.317 -6.434
Start of MODEL 15
1 H1 GLY 1 H GLY 1 8.669 -9.363 17.620
2 HA2 GLY 1 1HA GLY 1 6.834 -8.944 15.343
3 HA3 GLY 1 2HA GLY 1 8.470 -9.567 15.191
4 H SER 2 H SER 2 5.607 -10.579 14.606
5 HA SER 2 HA SER 2 5.935 -13.200 15.915
6 HB2 SER 2 1HB SER 2 3.843 -11.806 16.459
7 HB3 SER 2 2HB SER 2 3.325 -12.171 14.813
8 HG SER 2 HG SER 2 3.747 -13.938 16.971
9 H SER 3 H SER 3 4.422 -11.772 13.014
10 HA SER 3 HA SER 3 4.722 -14.211 11.528
11 HB2 SER 3 1HB SER 3 3.709 -12.996 9.688
12 HB3 SER 3 2HB SER 3 2.830 -12.625 11.172
13 HG SER 3 HG SER 3 3.171 -10.669 10.331
14 H GLY 4 H GLY 4 5.689 -13.997 9.221
15 HA2 GLY 4 1HA GLY 4 8.479 -13.396 9.567
16 HA3 GLY 4 2HA GLY 4 7.723 -14.050 8.121
17 H SER 5 H SER 5 7.558 -11.007 9.979
18 HA SER 5 HA SER 5 7.875 -9.569 7.425
19 HB2 SER 5 1HB SER 5 5.606 -9.396 8.597
20 HB3 SER 5 2HB SER 5 6.440 -8.461 9.837
21 HG SER 5 HG SER 5 7.104 -7.522 7.422
22 H SER 6 H SER 6 10.074 -9.268 7.532
23 HA SER 6 HA SER 6 11.355 -8.285 9.910
24 HB2 SER 6 1HB SER 6 12.567 -9.748 8.361
25 HB3 SER 6 2HB SER 6 12.400 -8.549 7.079
26 HG SER 6 HG SER 6 14.373 -8.175 7.930
27 H GLY 7 H GLY 7 9.441 -6.512 9.576
28 HA2 GLY 7 1HA GLY 7 10.420 -4.046 9.718
29 HA3 GLY 7 2HA GLY 7 10.398 -4.270 7.976
30 H SER 8 H SER 8 8.113 -5.196 10.545
31 HA SER 8 HA SER 8 5.892 -4.328 8.925
32 HB2 SER 8 1HB SER 8 4.501 -5.341 10.536
33 HB3 SER 8 2HB SER 8 5.943 -6.355 10.513
34 HG SER 8 HG SER 8 6.489 -4.570 12.281
35 H GLU 9 H GLU 9 7.569 -2.188 9.455
36 HA GLU 9 HA GLU 9 6.333 -0.653 11.604
37 HB2 GLU 9 1HB GLU 9 8.883 -0.739 10.924
38 HB3 GLU 9 2HB GLU 9 8.393 0.491 9.768
39 HG2 GLU 9 1HG GLU 9 7.815 2.007 11.433
40 HG3 GLU 9 2HG GLU 9 7.718 0.754 12.670
41 H ALA 10 H ALA 10 6.512 -0.759 8.103
42 HA ALA 10 HA ALA 10 5.444 1.709 7.439
43 HB1 ALA 10 1HB ALA 10 6.262 0.417 5.670
44 HB2 ALA 10 2HB ALA 10 5.266 -0.972 6.105
45 HB3 ALA 10 3HB ALA 10 4.518 0.464 5.406
46 H TRP 11 H TRP 11 3.891 -1.079 8.804
47 HA TRP 11 HA TRP 11 1.242 -0.671 8.108
48 HB2 TRP 11 1HB TRP 11 2.618 -1.920 10.438
49 HB3 TRP 11 2HB TRP 11 0.889 -1.612 10.574
50 HD1 TRP 11 HD TRP 11 3.183 -4.227 9.508
51 HE1 TRP 11 1HE TRP 11 2.004 -5.961 8.016
52 HE3 TRP 11 3HE TRP 11 -1.074 -1.609 8.430
53 HZ2 TRP 11 2HZ TRP 11 -0.411 -6.190 6.573
54 HZ3 TRP 11 3HZ TRP 11 -2.769 -2.657 6.986
55 HH2 TRP 11 HH TRP 11 -2.442 -4.900 6.078
56 H GLU 12 H GLU 12 3.253 1.127 10.284
57 HA GLU 12 HA GLU 12 1.310 2.359 11.876
58 HB2 GLU 12 1HB GLU 12 3.960 3.460 10.924
59 HB3 GLU 12 2HB GLU 12 2.997 4.132 12.233
60 HG2 GLU 12 1HG GLU 12 3.248 2.033 13.477
61 HG3 GLU 12 2HG GLU 12 4.251 1.396 12.174
62 H TYR 13 H TYR 13 2.064 2.762 8.560
63 HA TYR 13 HA TYR 13 0.562 5.289 8.451
64 HB2 TYR 13 1HB TYR 13 2.284 4.070 6.287
65 HB3 TYR 13 2HB TYR 13 1.591 5.688 6.304
66 HD1 TYR 13 2HD TYR 13 4.159 3.507 7.799
67 HD2 TYR 13 1HD TYR 13 2.640 7.471 7.505
68 HE1 TYR 13 2HE TYR 13 6.199 4.362 8.874
69 HE2 TYR 13 1HE TYR 13 4.676 8.337 8.578
70 HH TYR 13 HH TYR 13 7.240 7.336 8.738
71 H PHE 14 H PHE 14 -0.401 2.395 8.597
72 HA PHE 14 HA PHE 14 -2.469 2.704 6.584
73 HB2 PHE 14 1HB PHE 14 -0.667 0.277 6.676
74 HB3 PHE 14 2HB PHE 14 -2.181 0.354 5.781
75 HD1 PHE 14 1HD PHE 14 1.269 1.581 5.967
76 HD2 PHE 14 2HD PHE 14 -2.348 1.568 3.724
77 HE1 PHE 14 1HE PHE 14 2.466 2.530 4.039
78 HE2 PHE 14 2HE PHE 14 -1.157 2.516 1.791
79 HZ PHE 14 HZ PHE 14 1.254 2.998 1.947
80 H HIS 15 H HIS 15 -4.295 1.280 6.934
81 HA HIS 15 HA HIS 15 -4.356 -0.131 9.489
82 HB2 HIS 15 1HB HIS 15 -5.993 1.133 10.481
83 HB3 HIS 15 2HB HIS 15 -5.178 2.395 9.562
84 HD1 HIS 15 1HD HIS 15 -8.041 -0.039 8.909
85 HD2 HIS 15 2HD HIS 15 -6.948 3.908 8.208
86 HE1 HIS 15 1HE HIS 15 -9.992 0.995 7.705
87 H LEU 16 H LEU 16 -5.427 -1.995 9.331
88 HA LEU 16 HA LEU 16 -6.567 -2.814 6.864
89 HB2 LEU 16 1HB LEU 16 -6.476 -4.045 9.602
90 HB3 LEU 16 2HB LEU 16 -7.299 -4.823 8.252
91 HG LEU 16 HG LEU 16 -4.357 -4.161 8.376
92 HD11 LEU 16 1HD1 LEU 16 -4.335 -5.995 9.672
93 HD12 LEU 16 2HD1 LEU 16 -4.539 -6.850 8.144
94 HD13 LEU 16 3HD1 LEU 16 -5.942 -6.508 9.156
95 HD21 LEU 16 1HD2 LEU 16 -4.314 -5.648 6.335
96 HD22 LEU 16 2HD2 LEU 16 -5.024 -4.049 6.110
97 HD23 LEU 16 3HD2 LEU 16 -6.067 -5.463 6.271
98 H ALA 17 H ALA 17 -8.651 -2.977 6.212
99 HA ALA 17 HA ALA 17 -10.641 -1.582 7.822
100 HB1 ALA 17 1HB ALA 17 -10.279 -1.053 5.397
101 HB2 ALA 17 2HB ALA 17 -10.962 -2.635 5.020
102 HB3 ALA 17 3HB ALA 17 -11.946 -1.423 5.840
103 HA PRO 18 HA PRO 18 -12.644 -5.248 9.213
104 HB2 PRO 18 1HB PRO 18 -15.124 -4.240 9.666
105 HB3 PRO 18 2HB PRO 18 -13.742 -3.898 10.714
106 HG2 PRO 18 1HG PRO 18 -14.929 -2.221 8.537
107 HG3 PRO 18 2HG PRO 18 -14.365 -1.731 10.146
108 HD2 PRO 18 1HD PRO 18 -12.882 -1.369 7.910
109 HD3 PRO 18 2HD PRO 18 -12.154 -1.691 9.497
110 H ALA 19 H ALA 19 -14.341 -6.744 8.667
111 HA ALA 19 HA ALA 19 -14.777 -6.956 5.860
112 HB1 ALA 19 1HB ALA 19 -14.897 -9.087 6.466
113 HB2 ALA 19 2HB ALA 19 -15.050 -8.641 8.166
114 HB3 ALA 19 3HB ALA 19 -16.488 -8.760 7.153
115 H ARG 20 H ARG 20 -16.203 -5.747 4.800
116 HA ARG 20 HA ARG 20 -18.839 -5.293 6.036
117 HB2 ARG 20 1HB ARG 20 -18.930 -3.141 4.817
118 HB3 ARG 20 2HB ARG 20 -17.623 -3.200 5.991
119 HG2 ARG 20 1HG ARG 20 -17.011 -3.971 3.192
120 HG3 ARG 20 2HG ARG 20 -17.271 -2.262 3.551
121 HD2 ARG 20 1HD ARG 20 -15.616 -2.735 5.521
122 HD3 ARG 20 2HD ARG 20 -15.136 -4.108 4.525
123 HE ARG 20 HE ARG 20 -14.497 -1.367 4.081
124 HH11 ARG 20 2HH1 ARG 20 -15.151 -4.383 2.471
125 HH12 ARG 20 1HH1 ARG 20 -14.235 -3.977 1.057
126 HH21 ARG 20 2HH2 ARG 20 -13.288 -0.821 2.226
127 HH22 ARG 20 1HH2 ARG 20 -13.175 -1.951 0.919
128 H ALA 21 H ALA 21 -17.061 -6.440 3.362
129 HA ALA 21 HA ALA 21 -19.408 -6.436 1.609
130 HB1 ALA 21 1HB ALA 21 -17.952 -6.160 -0.040
131 HB2 ALA 21 2HB ALA 21 -16.642 -6.149 1.141
132 HB3 ALA 21 3HB ALA 21 -17.139 -7.665 0.391
133 H GLY 22 H GLY 22 -16.978 -8.692 2.913
134 HA2 GLY 22 1HA GLY 22 -18.502 -10.720 3.768
135 HA3 GLY 22 2HA GLY 22 -18.544 -10.975 2.030
136 H HIS 23 H HIS 23 -16.067 -10.502 1.173
137 HA HIS 23 HA HIS 23 -14.650 -12.795 1.688
138 HB2 HIS 23 1HB HIS 23 -14.322 -10.812 -0.063
139 HB3 HIS 23 2HB HIS 23 -13.067 -10.346 1.081
140 HD1 HIS 23 1HD HIS 23 -11.959 -13.112 1.811
141 HD2 HIS 23 2HD HIS 23 -12.851 -11.915 -2.066
142 HE1 HIS 23 1HE HIS 23 -10.563 -14.577 0.318
143 H HIS 24 H HIS 24 -13.131 -13.462 3.124
144 HA HIS 24 HA HIS 24 -13.057 -12.741 5.699
145 HB2 HIS 24 1HB HIS 24 -11.195 -14.052 5.938
146 HB3 HIS 24 2HB HIS 24 -11.654 -14.526 4.305
147 HD1 HIS 24 1HD HIS 24 -8.777 -13.648 6.120
148 HD2 HIS 24 2HD HIS 24 -10.222 -12.617 2.364
149 HE1 HIS 24 1HE HIS 24 -6.778 -12.828 4.833
150 HA PRO 25 HA PRO 25 -11.281 -8.765 6.243
151 HB2 PRO 25 1HB PRO 25 -10.001 -9.070 8.618
152 HB3 PRO 25 2HB PRO 25 -11.761 -8.984 8.479
153 HG2 PRO 25 1HG PRO 25 -9.997 -11.387 8.757
154 HG3 PRO 25 2HG PRO 25 -11.538 -11.032 9.559
155 HD2 PRO 25 1HD PRO 25 -11.355 -12.689 7.425
156 HD3 PRO 25 2HD PRO 25 -12.784 -11.681 7.731
157 H ASN 26 H ASN 26 -9.154 -7.651 6.794
158 HA ASN 26 HA ASN 26 -6.966 -7.248 6.323
159 HB2 ASN 26 1HB ASN 26 -6.699 -10.254 6.564
160 HB3 ASN 26 2HB ASN 26 -5.362 -9.108 6.543
161 HD21 ASN 26 1HD2 ASN 26 -4.877 -10.179 8.599
162 HD22 ASN 26 2HD2 ASN 26 -5.634 -9.586 10.035
163 H GLN 27 H GLN 27 -8.679 -7.317 4.173
164 HA GLN 27 HA GLN 27 -7.339 -8.840 2.072
165 HB2 GLN 27 1HB GLN 27 -9.203 -8.015 0.637
166 HB3 GLN 27 2HB GLN 27 -9.740 -8.952 2.025
167 HG2 GLN 27 1HG GLN 27 -10.353 -6.936 3.200
168 HG3 GLN 27 2HG GLN 27 -9.715 -5.946 1.888
169 HE21 GLN 27 1HE2 GLN 27 -12.193 -8.281 2.749
170 HE22 GLN 27 2HE2 GLN 27 -13.327 -7.805 1.535
171 H TYR 28 H TYR 28 -8.030 -5.508 3.013
172 HA TYR 28 HA TYR 28 -5.858 -4.630 1.253
173 HB2 TYR 28 1HB TYR 28 -8.677 -3.583 1.276
174 HB3 TYR 28 2HB TYR 28 -7.336 -2.558 0.777
175 HD1 TYR 28 2HD TYR 28 -8.788 -5.929 0.076
176 HD2 TYR 28 1HD TYR 28 -6.738 -2.531 -1.457
177 HE1 TYR 28 2HE TYR 28 -8.909 -6.884 -2.187
178 HE2 TYR 28 1HE TYR 28 -6.855 -3.476 -3.725
179 HH TYR 28 HH TYR 28 -7.443 -6.580 -4.395
180 H ALA 29 H ALA 29 -4.776 -2.760 1.932
181 HA ALA 29 HA ALA 29 -5.242 -2.078 4.753
182 HB1 ALA 29 1HB ALA 29 -2.768 -1.885 3.046
183 HB2 ALA 29 2HB ALA 29 -2.886 -1.234 4.681
184 HB3 ALA 29 3HB ALA 29 -3.058 -2.968 4.408
185 H THR 30 H THR 30 -5.763 -0.061 5.355
186 HA THR 30 HA THR 30 -6.127 1.931 3.243
187 HB THR 30 HB THR 30 -7.081 2.123 6.101
188 HG1 THR 30 1HG THR 30 -8.289 0.470 5.477
189 HG21 THR 30 1HG2 THR 30 -8.665 3.359 3.994
190 HG22 THR 30 2HG2 THR 30 -7.023 3.997 4.070
191 HG23 THR 30 3HG2 THR 30 -8.056 4.047 5.499
192 H CYS 31 H CYS 31 -4.451 3.238 2.916
193 HA CYS 31 HA CYS 31 -2.348 3.706 4.690
194 HB2 CYS 31 1HB CYS 31 -2.441 4.141 2.170
195 HB3 CYS 31 2HB CYS 31 -3.218 5.668 2.573
196 H ARG 32 H ARG 32 -2.255 4.828 6.511
197 HA ARG 32 HA ARG 32 -4.426 6.573 7.272
198 HB2 ARG 32 1HB ARG 32 -1.872 5.894 8.744
199 HB3 ARG 32 2HB ARG 32 -3.263 6.729 9.424
200 HG2 ARG 32 1HG ARG 32 -4.630 4.751 9.138
201 HG3 ARG 32 2HG ARG 32 -3.285 3.911 8.364
202 HD2 ARG 32 1HD ARG 32 -3.478 3.225 10.681
203 HD3 ARG 32 2HD ARG 32 -1.981 4.124 10.434
204 HE ARG 32 HE ARG 32 -3.504 6.074 11.295
205 HH11 ARG 32 2HH1 ARG 32 -3.369 2.786 12.429
206 HH12 ARG 32 1HH1 ARG 32 -3.826 3.188 14.051
207 HH21 ARG 32 2HH2 ARG 32 -4.106 6.617 13.428
208 HH22 ARG 32 1HH2 ARG 32 -4.246 5.368 14.618
209 H LEU 33 H LEU 33 -1.921 7.062 5.307
210 HA LEU 33 HA LEU 33 -1.165 9.691 6.342
211 HB2 LEU 33 1HB LEU 33 -0.072 7.881 4.226
212 HB3 LEU 33 2HB LEU 33 0.343 9.594 4.232
213 HG LEU 33 HG LEU 33 0.876 7.687 6.509
214 HD11 LEU 33 1HD1 LEU 33 2.790 7.097 5.550
215 HD12 LEU 33 2HD1 LEU 33 3.190 8.771 5.163
216 HD13 LEU 33 3HD1 LEU 33 2.186 7.827 4.062
217 HD21 LEU 33 1HD2 LEU 33 1.796 10.517 6.013
218 HD22 LEU 33 2HD2 LEU 33 2.272 9.494 7.368
219 HD23 LEU 33 3HD2 LEU 33 0.595 10.014 7.202
220 H CYS 34 H CYS 34 -2.505 8.200 3.409
221 HA CYS 34 HA CYS 34 -3.654 10.823 2.715
222 HB2 CYS 34 1HB CYS 34 -3.398 10.288 0.361
223 HB3 CYS 34 2HB CYS 34 -1.836 10.164 1.164
224 H GLY 35 H GLY 35 -4.062 7.340 2.808
225 HA2 GLY 35 1HA GLY 35 -6.233 6.466 3.442
226 HA3 GLY 35 2HA GLY 35 -6.967 7.760 2.507
227 H ARG 36 H ARG 36 -4.243 6.234 1.095
228 HA ARG 36 HA ARG 36 -5.858 5.234 -1.064
229 HB2 ARG 36 1HB ARG 36 -2.936 5.464 -0.505
230 HB3 ARG 36 2HB ARG 36 -3.462 4.321 -1.733
231 HG2 ARG 36 1HG ARG 36 -4.540 7.079 -1.870
232 HG3 ARG 36 2HG ARG 36 -2.849 6.827 -2.308
233 HD2 ARG 36 1HD ARG 36 -4.885 4.985 -3.446
234 HD3 ARG 36 2HD ARG 36 -4.804 6.626 -4.084
235 HE ARG 36 HE ARG 36 -2.878 4.516 -4.459
236 HH11 ARG 36 2HH1 ARG 36 -3.436 7.952 -4.505
237 HH12 ARG 36 1HH1 ARG 36 -2.114 8.285 -5.574
238 HH21 ARG 36 2HH2 ARG 36 -1.135 4.941 -5.867
239 HH22 ARG 36 1HH2 ARG 36 -0.806 6.571 -6.349
240 H GLN 37 H GLN 37 -6.301 3.139 -1.593
241 HA GLN 37 HA GLN 37 -6.039 1.195 0.539
242 HB2 GLN 37 1HB GLN 37 -7.368 0.940 -2.164
243 HB3 GLN 37 2HB GLN 37 -7.507 -0.202 -0.834
244 HG2 GLN 37 1HG GLN 37 -8.475 1.709 0.517
245 HG3 GLN 37 2HG GLN 37 -8.591 2.590 -1.005
246 HE21 GLN 37 1HE2 GLN 37 -10.886 2.337 0.130
247 HE22 GLN 37 2HE2 GLN 37 -11.854 1.081 -0.555
248 H VAL 38 H VAL 38 -4.234 0.047 0.699
249 HA VAL 38 HA VAL 38 -2.895 -0.822 -1.780
250 HB VAL 38 HB VAL 38 -1.674 -0.430 0.956
251 HG11 VAL 38 1HG1 VAL 38 0.354 -0.576 -0.908
252 HG12 VAL 38 2HG1 VAL 38 -0.126 -1.855 0.208
253 HG13 VAL 38 3HG1 VAL 38 -0.776 -1.824 -1.432
254 HG21 VAL 38 1HG2 VAL 38 -1.119 1.162 -1.535
255 HG22 VAL 38 2HG2 VAL 38 -2.334 1.643 -0.350
256 HG23 VAL 38 3HG2 VAL 38 -0.639 1.522 0.124
257 H SER 39 H SER 39 -3.085 -2.908 -2.217
258 HA SER 39 HA SER 39 -3.748 -4.766 -0.048
259 HB2 SER 39 1HB SER 39 -4.386 -6.319 -1.895
260 HB3 SER 39 2HB SER 39 -5.296 -4.809 -1.914
261 HG SER 39 HG SER 39 -4.379 -4.269 -3.745
262 H ARG 40 H ARG 40 -2.185 -5.962 0.788
263 HA ARG 40 HA ARG 40 0.450 -6.011 0.035
264 HB2 ARG 40 1HB ARG 40 -1.031 -8.300 1.342
265 HB3 ARG 40 2HB ARG 40 0.701 -8.002 1.413
266 HG2 ARG 40 1HG ARG 40 0.338 -5.974 2.675
267 HG3 ARG 40 2HG ARG 40 -1.410 -6.169 2.531
268 HD2 ARG 40 1HD ARG 40 0.321 -8.276 3.787
269 HD3 ARG 40 2HD ARG 40 -0.298 -6.912 4.716
270 HE ARG 40 HE ARG 40 -2.537 -7.859 3.621
271 HH11 ARG 40 2HH1 ARG 40 0.086 -9.488 5.228
272 HH12 ARG 40 1HH1 ARG 40 -0.909 -10.767 5.839
273 HH21 ARG 40 2HH2 ARG 40 -3.859 -9.538 4.419
274 HH22 ARG 40 1HH2 ARG 40 -3.153 -10.795 5.378
275 H GLY 41 H GLY 41 -1.626 -8.877 -0.410
276 HA2 GLY 41 1HA GLY 41 -1.950 -9.934 -2.546
277 HA3 GLY 41 2HA GLY 41 -0.425 -9.238 -3.074
278 HA PRO 42 HA PRO 42 0.191 -13.699 -1.802
279 HB2 PRO 42 1HB PRO 42 1.274 -14.506 -4.157
280 HB3 PRO 42 2HB PRO 42 -0.466 -14.527 -3.843
281 HG2 PRO 42 1HG PRO 42 1.166 -12.508 -5.334
282 HG3 PRO 42 2HG PRO 42 -0.414 -13.197 -5.750
283 HD2 PRO 42 1HD PRO 42 -0.143 -10.748 -4.627
284 HD3 PRO 42 2HD PRO 42 -1.545 -11.791 -4.316
285 H GLY 43 H GLY 43 2.323 -11.836 -3.986
286 HA2 GLY 43 1HA GLY 43 4.665 -12.870 -2.592
287 HA3 GLY 43 2HA GLY 43 4.668 -11.889 -4.051
288 H VAL 44 H VAL 44 4.125 -11.765 -0.556
289 HA VAL 44 HA VAL 44 5.053 -8.968 -0.609
290 HB VAL 44 HB VAL 44 3.601 -8.420 1.233
291 HG11 VAL 44 1HG1 VAL 44 2.204 -7.914 -0.432
292 HG12 VAL 44 2HG1 VAL 44 2.580 -9.399 -1.308
293 HG13 VAL 44 3HG1 VAL 44 1.361 -9.410 -0.033
294 HG21 VAL 44 1HG2 VAL 44 3.690 -11.058 1.879
295 HG22 VAL 44 2HG2 VAL 44 2.552 -9.898 2.563
296 HG23 VAL 44 3HG2 VAL 44 2.063 -10.919 1.211
297 H ASN 45 H ASN 45 5.683 -12.069 0.401
298 HA ASN 45 HA ASN 45 7.025 -11.291 2.874
299 HB2 ASN 45 1HB ASN 45 6.647 -14.001 1.581
300 HB3 ASN 45 2HB ASN 45 7.450 -13.728 3.125
301 HD21 ASN 45 1HD2 ASN 45 4.414 -13.645 1.416
302 HD22 ASN 45 2HD2 ASN 45 3.402 -13.627 2.816
303 H VAL 46 H VAL 46 8.192 -10.042 0.786
304 HA VAL 46 HA VAL 46 10.617 -11.611 0.207
305 HB VAL 46 HB VAL 46 11.035 -9.988 -1.618
306 HG11 VAL 46 1HG1 VAL 46 9.981 -11.408 -2.964
307 HG12 VAL 46 2HG1 VAL 46 9.190 -12.086 -1.539
308 HG13 VAL 46 3HG1 VAL 46 8.405 -10.800 -2.458
309 HG21 VAL 46 1HG2 VAL 46 9.777 -8.163 -2.004
310 HG22 VAL 46 2HG2 VAL 46 8.271 -8.991 -1.608
311 HG23 VAL 46 3HG2 VAL 46 9.296 -8.360 -0.318
312 H GLY 47 H GLY 47 9.421 -9.105 2.099
313 HA2 GLY 47 1HA GLY 47 11.123 -8.376 3.795
314 HA3 GLY 47 2HA GLY 47 12.125 -7.954 2.413
315 H THR 48 H THR 48 10.392 -6.684 0.750
316 HA THR 48 HA THR 48 9.917 -4.213 2.216
317 HB THR 48 HB THR 48 9.651 -4.689 -0.757
318 HG1 THR 48 1HG THR 48 11.761 -4.857 -0.654
319 HG21 THR 48 1HG2 THR 48 9.011 -2.482 0.894
320 HG22 THR 48 2HG2 THR 48 9.001 -2.562 -0.867
321 HG23 THR 48 3HG2 THR 48 10.458 -2.051 -0.016
322 H THR 49 H THR 49 8.014 -4.351 3.298
323 HA THR 49 HA THR 49 5.697 -5.659 2.461
324 HB THR 49 HB THR 49 5.615 -3.175 4.159
325 HG1 THR 49 1HG THR 49 7.073 -5.412 4.600
326 HG21 THR 49 1HG2 THR 49 3.469 -4.156 3.682
327 HG22 THR 49 2HG2 THR 49 3.884 -4.508 5.359
328 HG23 THR 49 3HG2 THR 49 4.054 -5.758 4.127
329 H ALA 50 H ALA 50 4.233 -5.221 0.950
330 HA ALA 50 HA ALA 50 4.337 -3.451 -1.041
331 HB1 ALA 50 1HB ALA 50 1.595 -3.472 -0.354
332 HB2 ALA 50 2HB ALA 50 2.432 -4.466 -1.547
333 HB3 ALA 50 3HB ALA 50 2.270 -5.033 0.115
334 H LEU 51 H LEU 51 3.230 -2.715 2.210
335 HA LEU 51 HA LEU 51 2.069 -0.226 1.792
336 HB2 LEU 51 1HB LEU 51 3.751 -0.988 4.170
337 HB3 LEU 51 2HB LEU 51 2.464 0.215 4.115
338 HG LEU 51 HG LEU 51 2.041 -2.750 3.754
339 HD11 LEU 51 1HD1 LEU 51 2.597 -1.301 6.119
340 HD12 LEU 51 2HD1 LEU 51 2.105 -2.986 5.954
341 HD13 LEU 51 3HD1 LEU 51 0.886 -1.726 6.141
342 HD21 LEU 51 1HD2 LEU 51 0.400 -0.465 3.272
343 HD22 LEU 51 2HD2 LEU 51 -0.266 -1.378 4.625
344 HD23 LEU 51 3HD2 LEU 51 0.010 -2.174 3.075
345 H TRP 52 H TRP 52 5.464 -1.002 2.515
346 HA TRP 52 HA TRP 52 6.486 1.571 2.591
347 HB2 TRP 52 1HB TRP 52 7.725 -1.027 1.688
348 HB3 TRP 52 2HB TRP 52 8.644 0.473 1.783
349 HD1 TRP 52 HD TRP 52 7.519 -2.404 3.860
350 HE1 TRP 52 1HE TRP 52 8.164 -2.026 6.322
351 HE3 TRP 52 3HE TRP 52 8.829 2.531 3.606
352 HZ2 TRP 52 2HZ TRP 52 9.103 0.086 7.943
353 HZ3 TRP 52 3HZ TRP 52 9.590 3.656 5.658
354 HH2 TRP 52 HH TRP 52 9.723 2.457 7.781
355 H LYS 53 H LYS 53 6.203 -0.588 -0.225
356 HA LYS 53 HA LYS 53 7.328 0.949 -2.182
357 HB2 LYS 53 1HB LYS 53 4.932 -0.868 -2.245
358 HB3 LYS 53 2HB LYS 53 5.505 -0.064 -3.701
359 HG2 LYS 53 1HG LYS 53 7.728 -1.115 -3.331
360 HG3 LYS 53 2HG LYS 53 7.023 -2.019 -1.989
361 HD2 LYS 53 1HD LYS 53 5.645 -2.129 -4.621
362 HD3 LYS 53 2HD LYS 53 7.157 -3.022 -4.441
363 HE2 LYS 53 1HE LYS 53 5.998 -3.840 -2.214
364 HE3 LYS 53 2HE LYS 53 4.530 -3.428 -3.100
365 HZ1 LYS 53 1HZ LYS 53 4.757 -5.189 -4.429
366 HZ2 LYS 53 2HZ LYS 53 5.840 -5.781 -3.272
367 HZ3 LYS 53 3HZ LYS 53 6.421 -4.964 -4.634
368 H HIS 54 H HIS 54 4.060 1.247 -0.859
369 HA HIS 54 HA HIS 54 3.282 3.351 -2.626
370 HB2 HIS 54 1HB HIS 54 1.602 1.922 -1.593
371 HB3 HIS 54 2HB HIS 54 2.106 2.446 0.011
372 HD1 HIS 54 1HD HIS 54 0.509 3.856 -3.124
373 HD2 HIS 54 2HD HIS 54 0.820 4.663 0.940
374 HE1 HIS 54 1HE HIS 54 -1.059 5.775 -2.698
375 H LEU 55 H LEU 55 4.512 3.213 0.687
376 HA LEU 55 HA LEU 55 4.230 5.919 1.335
377 HB2 LEU 55 1HB LEU 55 6.297 3.923 2.245
378 HB3 LEU 55 2HB LEU 55 6.034 5.501 2.986
379 HG LEU 55 HG LEU 55 3.893 3.389 2.844
380 HD11 LEU 55 1HD1 LEU 55 6.244 3.109 4.243
381 HD12 LEU 55 2HD1 LEU 55 4.717 2.307 4.609
382 HD13 LEU 55 3HD1 LEU 55 5.145 3.804 5.436
383 HD21 LEU 55 1HD2 LEU 55 3.446 5.907 3.265
384 HD22 LEU 55 2HD2 LEU 55 4.139 5.591 4.856
385 HD23 LEU 55 3HD2 LEU 55 2.704 4.711 4.327
386 H LYS 56 H LYS 56 7.001 4.187 -0.068
387 HA LYS 56 HA LYS 56 8.544 6.586 -0.387
388 HB2 LYS 56 1HB LYS 56 8.997 3.893 -1.680
389 HB3 LYS 56 2HB LYS 56 10.179 5.178 -1.470
390 HG2 LYS 56 1HG LYS 56 10.516 4.703 0.728
391 HG3 LYS 56 2HG LYS 56 8.875 4.097 0.963
392 HD2 LYS 56 1HD LYS 56 9.388 2.013 0.028
393 HD3 LYS 56 2HD LYS 56 10.858 2.620 -0.739
394 HE2 LYS 56 1HE LYS 56 12.005 2.724 1.323
395 HE3 LYS 56 2HE LYS 56 10.517 2.524 2.247
396 HZ1 LYS 56 1HZ LYS 56 10.897 0.359 2.260
397 HZ2 LYS 56 2HZ LYS 56 12.267 0.541 1.286
398 HZ3 LYS 56 3HZ LYS 56 10.749 0.316 0.575
399 H SER 57 H SER 57 5.968 5.260 -2.060
400 HA SER 57 HA SER 57 6.777 6.087 -4.707
401 HB2 SER 57 1HB SER 57 5.338 4.165 -4.567
402 HB3 SER 57 2HB SER 57 4.157 5.053 -3.605
403 HG SER 57 HG SER 57 3.514 6.141 -5.362
404 H MET 58 H MET 58 4.665 7.265 -2.140
405 HA MET 58 HA MET 58 4.477 9.826 -3.579
406 HB2 MET 58 1HB MET 58 2.213 10.122 -2.875
407 HB3 MET 58 2HB MET 58 2.327 8.528 -3.609
408 HG2 MET 58 1HG MET 58 2.088 7.434 -1.594
409 HG3 MET 58 2HG MET 58 2.623 8.827 -0.657
410 HE1 MET 58 1HE MET 58 0.380 9.175 -3.607
411 HE2 MET 58 2HE MET 58 -0.562 7.778 -3.087
412 HE3 MET 58 3HE MET 58 -1.251 9.398 -2.975
413 H HIS 59 H HIS 59 4.694 8.130 -0.523
414 HA HIS 59 HA HIS 59 4.986 10.650 0.931
415 HB2 HIS 59 1HB HIS 59 4.918 7.814 1.984
416 HB3 HIS 59 2HB HIS 59 4.892 9.282 2.956
417 HD1 HIS 59 1HD HIS 59 2.710 10.901 2.310
418 HD2 HIS 59 2HD HIS 59 2.449 6.830 1.522
419 HE1 HIS 59 1HE HIS 59 0.252 10.414 2.096
420 H ARG 60 H ARG 60 7.002 9.608 -0.978
421 HA ARG 60 HA ARG 60 9.212 8.467 0.235
422 HB2 ARG 60 1HB ARG 60 9.184 8.737 -2.139
423 HB3 ARG 60 2HB ARG 60 9.026 10.483 -2.001
424 HG2 ARG 60 1HG ARG 60 11.334 10.208 -0.722
425 HG3 ARG 60 2HG ARG 60 11.421 8.765 -1.734
426 HD2 ARG 60 1HD ARG 60 10.887 11.549 -2.760
427 HD3 ARG 60 2HD ARG 60 12.469 10.772 -2.757
428 HE ARG 60 HE ARG 60 10.226 10.167 -4.500
429 HH11 ARG 60 2HH1 ARG 60 13.370 9.251 -3.319
430 HH12 ARG 60 1HH1 ARG 60 13.720 8.222 -4.667
431 HH21 ARG 60 2HH2 ARG 60 10.675 8.814 -6.280
432 HH22 ARG 60 1HH2 ARG 60 12.187 7.974 -6.352
433 H GLU 61 H GLU 61 8.062 11.771 0.352
434 HA GLU 61 HA GLU 61 10.437 12.854 1.521
435 HB2 GLU 61 1HB GLU 61 7.619 13.883 1.239
436 HB3 GLU 61 2HB GLU 61 8.869 14.793 2.075
437 HG2 GLU 61 1HG GLU 61 10.189 14.925 0.076
438 HG3 GLU 61 2HG GLU 61 9.070 13.866 -0.779
439 H GLU 62 H GLU 62 7.262 11.890 2.789
440 HA GLU 62 HA GLU 62 7.612 12.607 5.443
441 HB2 GLU 62 1HB GLU 62 5.959 10.588 4.019
442 HB3 GLU 62 2HB GLU 62 6.116 10.411 5.761
443 HG2 GLU 62 1HG GLU 62 4.143 11.665 5.306
444 HG3 GLU 62 2HG GLU 62 5.336 12.751 6.016
445 H LEU 63 H LEU 63 8.225 9.404 3.995
446 HA LEU 63 HA LEU 63 9.247 8.106 6.189
447 HB2 LEU 63 1HB LEU 63 10.192 7.873 3.336
448 HB3 LEU 63 2HB LEU 63 10.500 6.698 4.613
449 HG LEU 63 HG LEU 63 7.794 7.397 3.474
450 HD11 LEU 63 1HD1 LEU 63 8.410 4.692 3.100
451 HD12 LEU 63 2HD1 LEU 63 9.845 5.589 2.604
452 HD13 LEU 63 3HD1 LEU 63 8.282 5.949 1.869
453 HD21 LEU 63 1HD2 LEU 63 8.688 5.613 5.706
454 HD22 LEU 63 2HD2 LEU 63 7.233 5.236 4.782
455 HD23 LEU 63 3HD2 LEU 63 7.350 6.762 5.660
456 H GLU 64 H GLU 64 11.208 9.775 3.715
457 HA GLU 64 HA GLU 64 13.660 9.563 5.002
458 HB2 GLU 64 1HB GLU 64 12.638 11.732 3.163
459 HB3 GLU 64 2HB GLU 64 14.319 11.562 3.647
460 HG2 GLU 64 1HG GLU 64 14.233 9.235 2.674
461 HG3 GLU 64 2HG GLU 64 12.677 9.684 1.978
462 H LYS 65 H LYS 65 11.133 12.004 5.341
463 HA LYS 65 HA LYS 65 12.510 13.852 6.910
464 HB2 LYS 65 1HB LYS 65 10.269 14.216 5.892
465 HB3 LYS 65 2HB LYS 65 9.578 13.138 7.098
466 HG2 LYS 65 1HG LYS 65 10.175 14.644 8.869
467 HG3 LYS 65 2HG LYS 65 11.050 15.684 7.742
468 HD2 LYS 65 1HD LYS 65 8.994 16.761 8.044
469 HD3 LYS 65 2HD LYS 65 8.814 15.909 6.509
470 HE2 LYS 65 1HE LYS 65 6.819 15.543 7.744
471 HE3 LYS 65 2HE LYS 65 7.736 14.038 7.791
472 HZ1 LYS 65 1HZ LYS 65 8.537 15.529 9.985
473 HZ2 LYS 65 2HZ LYS 65 7.600 14.121 9.986
474 HZ3 LYS 65 3HZ LYS 65 6.849 15.636 9.942
475 H SER 66 H SER 66 10.568 11.046 7.900
476 HA SER 66 HA SER 66 11.000 11.436 10.686
477 HB2 SER 66 1HB SER 66 9.988 9.119 9.045
478 HB3 SER 66 2HB SER 66 10.208 8.989 10.789
479 HG SER 66 HG SER 66 8.074 9.761 9.785
480 H GLY 67 H GLY 67 11.830 9.190 11.825
481 HA2 GLY 67 1HA GLY 67 14.667 9.209 11.270
482 HA3 GLY 67 2HA GLY 67 13.865 8.369 12.589
483 H HIS 68 H HIS 68 13.355 8.135 9.083
484 HA HIS 68 HA HIS 68 13.870 5.247 9.303
485 HB2 HIS 68 1HB HIS 68 12.194 6.839 7.360
486 HB3 HIS 68 2HB HIS 68 12.585 5.139 7.117
487 HD1 HIS 68 1HD HIS 68 10.046 4.565 7.281
488 HD2 HIS 68 2HD HIS 68 11.675 6.213 10.729
489 HE1 HIS 68 1HE HIS 68 8.353 4.142 9.092
490 H GLY 69 H GLY 69 16.167 5.579 9.143
491 HA2 GLY 69 1HA GLY 69 17.153 6.615 6.590
492 HA3 GLY 69 2HA GLY 69 18.131 6.224 7.996
493 H GLN 70 H GLN 70 17.348 5.271 4.934
494 HA GLN 70 HA GLN 70 17.623 3.368 3.710
495 HB2 GLN 70 1HB GLN 70 19.726 3.119 5.842
496 HB3 GLN 70 2HB GLN 70 19.542 1.880 4.607
497 HG2 GLN 70 1HG GLN 70 20.308 4.758 4.260
498 HG3 GLN 70 2HG GLN 70 21.226 3.315 3.832
499 HE21 GLN 70 1HE2 GLN 70 20.244 1.926 2.147
500 HE22 GLN 70 2HE2 GLN 70 19.426 2.702 0.838
501 H SER 71 H SER 71 15.449 3.218 5.410
502 HA SER 71 HA SER 71 15.264 1.087 7.147
503 HB2 SER 71 1HB SER 71 13.395 2.540 6.981
504 HB3 SER 71 2HB SER 71 13.237 2.265 5.246
505 HG SER 71 HG SER 71 13.038 0.041 6.906
506 H GLY 72 H GLY 72 16.065 -0.884 6.754
507 HA2 GLY 72 1HA GLY 72 15.925 -3.049 5.897
508 HA3 GLY 72 2HA GLY 72 14.883 -2.449 4.616
509 HA PRO 73 HA PRO 73 19.438 -1.513 3.252
510 HB2 PRO 73 1HB PRO 73 21.392 -2.704 4.712
511 HB3 PRO 73 2HB PRO 73 20.770 -1.089 5.075
512 HG2 PRO 73 1HG PRO 73 20.087 -3.711 6.348
513 HG3 PRO 73 2HG PRO 73 20.383 -2.139 7.113
514 HD2 PRO 73 1HD PRO 73 17.890 -3.110 6.695
515 HD3 PRO 73 2HD PRO 73 18.259 -1.373 6.652
516 H SER 74 H SER 74 19.020 -4.674 4.831
517 HA SER 74 HA SER 74 20.324 -6.052 2.650
518 HB2 SER 74 1HB SER 74 19.696 -8.108 3.960
519 HB3 SER 74 2HB SER 74 20.679 -6.948 4.854
520 HG SER 74 HG SER 74 19.098 -7.300 6.252
521 H SER 75 H SER 75 18.205 -4.634 1.660
522 HA SER 75 HA SER 75 16.360 -6.787 0.878
523 HB2 SER 75 1HB SER 75 15.697 -4.021 1.832
524 HB3 SER 75 2HB SER 75 14.638 -4.822 0.671
525 HG SER 75 HG SER 75 14.342 -6.491 2.147
526 H GLY 76 H GLY 76 17.578 -3.543 0.070
527 HA2 GLY 76 1HA GLY 76 18.421 -2.811 -1.970
528 HA3 GLY 76 2HA GLY 76 17.996 -4.366 -2.672
Start of MODEL 16
1 H1 GLY 1 H GLY 1 1.728 -18.134 15.436
2 HA2 GLY 1 1HA GLY 1 2.857 -19.007 13.034
3 HA3 GLY 1 2HA GLY 1 1.978 -17.524 12.691
4 H SER 2 H SER 2 4.949 -18.648 13.296
5 HA SER 2 HA SER 2 5.972 -16.886 15.250
6 HB2 SER 2 1HB SER 2 7.455 -18.157 12.937
7 HB3 SER 2 2HB SER 2 8.172 -17.516 14.415
8 HG SER 2 HG SER 2 7.735 -19.333 15.359
9 H SER 3 H SER 3 7.878 -15.354 14.544
10 HA SER 3 HA SER 3 6.678 -13.413 12.709
11 HB2 SER 3 1HB SER 3 8.726 -13.191 14.907
12 HB3 SER 3 2HB SER 3 8.495 -11.896 13.732
13 HG SER 3 HG SER 3 6.712 -11.357 14.705
14 H GLY 4 H GLY 4 7.709 -12.633 10.914
15 HA2 GLY 4 1HA GLY 4 10.356 -13.774 10.288
16 HA3 GLY 4 2HA GLY 4 9.047 -13.856 9.118
17 H SER 5 H SER 5 8.057 -11.696 8.544
18 HA SER 5 HA SER 5 9.776 -10.074 7.239
19 HB2 SER 5 1HB SER 5 8.055 -8.286 7.363
20 HB3 SER 5 2HB SER 5 7.364 -9.863 6.982
21 HG SER 5 HG SER 5 7.430 -8.669 9.558
22 H SER 6 H SER 6 11.276 -8.599 7.705
23 HA SER 6 HA SER 6 11.531 -7.740 10.507
24 HB2 SER 6 1HB SER 6 13.502 -8.359 8.361
25 HB3 SER 6 2HB SER 6 13.927 -7.098 9.518
26 HG SER 6 HG SER 6 12.894 -9.246 10.782
27 H GLY 7 H GLY 7 9.673 -6.413 8.910
28 HA2 GLY 7 1HA GLY 7 10.579 -3.720 9.188
29 HA3 GLY 7 2HA GLY 7 10.489 -4.190 7.498
30 H SER 8 H SER 8 8.443 -4.746 10.366
31 HA SER 8 HA SER 8 6.090 -4.177 8.733
32 HB2 SER 8 1HB SER 8 4.841 -5.003 10.759
33 HB3 SER 8 2HB SER 8 5.927 -6.190 10.037
34 HG SER 8 HG SER 8 6.035 -5.977 12.384
35 H GLU 9 H GLU 9 7.721 -1.965 9.296
36 HA GLU 9 HA GLU 9 6.445 -0.510 11.468
37 HB2 GLU 9 1HB GLU 9 8.974 -0.451 10.687
38 HB3 GLU 9 2HB GLU 9 8.369 0.777 9.584
39 HG2 GLU 9 1HG GLU 9 7.818 2.232 11.293
40 HG3 GLU 9 2HG GLU 9 7.759 0.951 12.501
41 H ALA 10 H ALA 10 6.688 -0.389 7.942
42 HA ALA 10 HA ALA 10 5.403 1.959 7.365
43 HB1 ALA 10 1HB ALA 10 4.552 0.765 5.301
44 HB2 ALA 10 2HB ALA 10 6.294 0.707 5.574
45 HB3 ALA 10 3HB ALA 10 5.294 -0.695 5.956
46 H TRP 11 H TRP 11 4.047 -0.934 8.709
47 HA TRP 11 HA TRP 11 1.371 -0.714 8.059
48 HB2 TRP 11 1HB TRP 11 2.872 -1.847 10.364
49 HB3 TRP 11 2HB TRP 11 1.135 -1.629 10.561
50 HD1 TRP 11 HD TRP 11 3.462 -4.191 9.559
51 HE1 TRP 11 1HE TRP 11 2.346 -5.981 8.084
52 HE3 TRP 11 3HE TRP 11 -0.815 -1.677 8.325
53 HZ2 TRP 11 2HZ TRP 11 -0.031 -6.287 6.594
54 HZ3 TRP 11 3HZ TRP 11 -2.459 -2.789 6.870
55 HH2 TRP 11 HH TRP 11 -2.073 -5.046 6.023
56 H GLU 12 H GLU 12 3.248 1.129 10.369
57 HA GLU 12 HA GLU 12 1.211 2.281 11.872
58 HB2 GLU 12 1HB GLU 12 3.824 3.531 11.005
59 HB3 GLU 12 2HB GLU 12 2.799 4.119 12.306
60 HG2 GLU 12 1HG GLU 12 3.108 1.881 13.412
61 HG3 GLU 12 2HG GLU 12 4.339 1.543 12.196
62 H TYR 13 H TYR 13 2.036 2.750 8.583
63 HA TYR 13 HA TYR 13 0.461 5.226 8.448
64 HB2 TYR 13 1HB TYR 13 2.178 4.025 6.272
65 HB3 TYR 13 2HB TYR 13 1.494 5.646 6.320
66 HD1 TYR 13 2HD TYR 13 4.082 3.435 7.719
67 HD2 TYR 13 1HD TYR 13 2.549 7.401 7.572
68 HE1 TYR 13 2HE TYR 13 6.139 4.264 8.784
69 HE2 TYR 13 1HE TYR 13 4.602 8.241 8.635
70 HH TYR 13 HH TYR 13 6.451 7.577 9.849
71 H PHE 14 H PHE 14 -0.436 2.303 8.609
72 HA PHE 14 HA PHE 14 -2.520 2.563 6.606
73 HB2 PHE 14 1HB PHE 14 -0.656 0.183 6.694
74 HB3 PHE 14 2HB PHE 14 -2.182 0.210 5.816
75 HD1 PHE 14 1HD PHE 14 1.192 1.681 6.001
76 HD2 PHE 14 2HD PHE 14 -2.368 1.263 3.706
77 HE1 PHE 14 1HE PHE 14 2.338 2.651 4.052
78 HE2 PHE 14 2HE PHE 14 -1.228 2.232 1.754
79 HZ PHE 14 HZ PHE 14 1.129 2.927 1.925
80 H HIS 15 H HIS 15 -4.401 1.436 7.109
81 HA HIS 15 HA HIS 15 -4.397 -0.083 9.623
82 HB2 HIS 15 1HB HIS 15 -5.988 1.206 10.631
83 HB3 HIS 15 2HB HIS 15 -5.254 2.453 9.627
84 HD1 HIS 15 1HD HIS 15 -8.106 -0.054 9.299
85 HD2 HIS 15 2HD HIS 15 -7.088 3.821 8.198
86 HE1 HIS 15 1HE HIS 15 -10.129 0.864 8.120
87 H LEU 16 H LEU 16 -5.294 -2.011 9.361
88 HA LEU 16 HA LEU 16 -6.552 -2.791 6.949
89 HB2 LEU 16 1HB LEU 16 -6.315 -4.121 9.637
90 HB3 LEU 16 2HB LEU 16 -7.096 -4.886 8.255
91 HG LEU 16 HG LEU 16 -4.270 -3.918 8.046
92 HD11 LEU 16 1HD1 LEU 16 -4.775 -6.739 8.809
93 HD12 LEU 16 2HD1 LEU 16 -4.830 -5.520 10.083
94 HD13 LEU 16 3HD1 LEU 16 -3.371 -5.714 9.110
95 HD21 LEU 16 1HD2 LEU 16 -6.126 -5.298 6.385
96 HD22 LEU 16 2HD2 LEU 16 -4.785 -6.383 6.754
97 HD23 LEU 16 3HD2 LEU 16 -4.470 -4.808 6.025
98 H ALA 17 H ALA 17 -8.682 -3.208 6.465
99 HA ALA 17 HA ALA 17 -10.639 -1.936 8.242
100 HB1 ALA 17 1HB ALA 17 -10.797 -0.969 6.128
101 HB2 ALA 17 2HB ALA 17 -10.611 -2.516 5.301
102 HB3 ALA 17 3HB ALA 17 -12.112 -2.144 6.148
103 HA PRO 18 HA PRO 18 -12.600 -5.705 9.344
104 HB2 PRO 18 1HB PRO 18 -15.202 -4.939 9.474
105 HB3 PRO 18 2HB PRO 18 -13.997 -4.455 10.673
106 HG2 PRO 18 1HG PRO 18 -15.064 -2.920 8.335
107 HG3 PRO 18 2HG PRO 18 -14.750 -2.364 9.989
108 HD2 PRO 18 1HD PRO 18 -13.046 -1.880 7.941
109 HD3 PRO 18 2HD PRO 18 -12.490 -2.115 9.611
110 H ALA 19 H ALA 19 -13.277 -7.487 8.309
111 HA ALA 19 HA ALA 19 -14.270 -7.201 5.574
112 HB1 ALA 19 1HB ALA 19 -12.352 -8.648 5.874
113 HB2 ALA 19 2HB ALA 19 -13.238 -9.621 7.048
114 HB3 ALA 19 3HB ALA 19 -13.748 -9.597 5.360
115 H ARG 20 H ARG 20 -16.364 -7.367 5.154
116 HA ARG 20 HA ARG 20 -18.032 -9.036 6.916
117 HB2 ARG 20 1HB ARG 20 -19.881 -7.401 6.526
118 HB3 ARG 20 2HB ARG 20 -18.540 -6.756 7.462
119 HG2 ARG 20 1HG ARG 20 -18.570 -6.342 4.514
120 HG3 ARG 20 2HG ARG 20 -19.627 -5.364 5.535
121 HD2 ARG 20 1HD ARG 20 -16.676 -5.663 6.041
122 HD3 ARG 20 2HD ARG 20 -17.348 -4.391 5.023
123 HE ARG 20 HE ARG 20 -17.515 -4.590 7.910
124 HH11 ARG 20 2HH1 ARG 20 -18.673 -3.062 5.004
125 HH12 ARG 20 1HH1 ARG 20 -19.286 -1.666 5.828
126 HH21 ARG 20 2HH2 ARG 20 -18.318 -2.758 9.005
127 HH22 ARG 20 1HH2 ARG 20 -19.083 -1.493 8.103
128 H ALA 21 H ALA 21 -17.395 -7.808 3.702
129 HA ALA 21 HA ALA 21 -19.517 -8.692 2.231
130 HB1 ALA 21 1HB ALA 21 -17.559 -7.487 1.324
131 HB2 ALA 21 2HB ALA 21 -16.630 -8.984 1.410
132 HB3 ALA 21 3HB ALA 21 -18.028 -8.875 0.341
133 H GLY 22 H GLY 22 -16.737 -10.636 3.298
134 HA2 GLY 22 1HA GLY 22 -17.556 -12.935 4.060
135 HA3 GLY 22 2HA GLY 22 -18.187 -13.051 2.424
136 H HIS 23 H HIS 23 -15.203 -11.390 2.871
137 HA HIS 23 HA HIS 23 -13.774 -13.715 1.760
138 HB2 HIS 23 1HB HIS 23 -13.506 -10.770 1.228
139 HB3 HIS 23 2HB HIS 23 -12.164 -11.865 0.912
140 HD1 HIS 23 1HD HIS 23 -12.150 -11.903 -1.588
141 HD2 HIS 23 2HD HIS 23 -15.933 -12.592 -0.013
142 HE1 HIS 23 1HE HIS 23 -13.590 -12.539 -3.550
143 H HIS 24 H HIS 24 -11.373 -13.658 2.215
144 HA HIS 24 HA HIS 24 -10.802 -13.996 4.847
145 HB2 HIS 24 1HB HIS 24 -9.156 -14.724 3.346
146 HB3 HIS 24 2HB HIS 24 -9.052 -13.155 2.553
147 HD1 HIS 24 1HD HIS 24 -7.350 -11.522 3.440
148 HD2 HIS 24 2HD HIS 24 -7.832 -14.838 5.896
149 HE1 HIS 24 1HE HIS 24 -5.510 -11.368 5.147
150 HA PRO 25 HA PRO 25 -10.994 -9.989 6.697
151 HB2 PRO 25 1HB PRO 25 -9.761 -10.611 9.034
152 HB3 PRO 25 2HB PRO 25 -11.420 -11.096 8.664
153 HG2 PRO 25 1HG PRO 25 -8.892 -12.688 8.468
154 HG3 PRO 25 2HG PRO 25 -10.476 -13.177 9.098
155 HD2 PRO 25 1HD PRO 25 -9.624 -13.851 6.618
156 HD3 PRO 25 2HD PRO 25 -11.335 -13.562 6.994
157 H ASN 26 H ASN 26 -9.677 -8.220 7.070
158 HA ASN 26 HA ASN 26 -7.853 -6.881 6.840
159 HB2 ASN 26 1HB ASN 26 -6.663 -9.372 8.017
160 HB3 ASN 26 2HB ASN 26 -5.620 -8.033 7.546
161 HD21 ASN 26 1HD2 ASN 26 -5.542 -8.692 10.094
162 HD22 ASN 26 2HD2 ASN 26 -6.393 -7.556 11.079
163 H GLN 27 H GLN 27 -8.728 -7.869 4.477
164 HA GLN 27 HA GLN 27 -6.523 -9.030 3.005
165 HB2 GLN 27 1HB GLN 27 -8.029 -9.001 1.097
166 HB3 GLN 27 2HB GLN 27 -8.847 -9.674 2.501
167 HG2 GLN 27 1HG GLN 27 -9.676 -7.219 2.826
168 HG3 GLN 27 2HG GLN 27 -9.290 -7.079 1.112
169 HE21 GLN 27 1HE2 GLN 27 -11.267 -8.721 3.479
170 HE22 GLN 27 2HE2 GLN 27 -12.473 -9.276 2.374
171 H TYR 28 H TYR 28 -8.273 -5.944 3.076
172 HA TYR 28 HA TYR 28 -6.151 -4.764 1.417
173 HB2 TYR 28 1HB TYR 28 -9.015 -3.982 1.911
174 HB3 TYR 28 2HB TYR 28 -7.856 -2.842 1.236
175 HD1 TYR 28 1HD TYR 28 -6.570 -3.640 -0.883
176 HD2 TYR 28 2HD TYR 28 -10.193 -5.396 0.495
177 HE1 TYR 28 1HE TYR 28 -6.973 -4.557 -3.129
178 HE2 TYR 28 2HE TYR 28 -10.606 -6.318 -1.748
179 HH TYR 28 HH TYR 28 -8.515 -5.528 -4.473
180 H ALA 29 H ALA 29 -5.345 -2.655 1.984
181 HA ALA 29 HA ALA 29 -5.544 -2.072 4.868
182 HB1 ALA 29 1HB ALA 29 -3.358 -3.099 4.047
183 HB2 ALA 29 2HB ALA 29 -3.073 -1.555 3.243
184 HB3 ALA 29 3HB ALA 29 -3.248 -1.616 4.997
185 H THR 30 H THR 30 -5.871 0.007 5.462
186 HA THR 30 HA THR 30 -6.280 1.946 3.297
187 HB THR 30 HB THR 30 -7.203 2.212 6.159
188 HG1 THR 30 1HG THR 30 -8.215 0.715 4.059
189 HG21 THR 30 1HG2 THR 30 -7.438 3.818 3.717
190 HG22 THR 30 2HG2 THR 30 -7.609 4.293 5.407
191 HG23 THR 30 3HG2 THR 30 -8.965 3.552 4.558
192 H CYS 31 H CYS 31 -4.559 3.184 2.926
193 HA CYS 31 HA CYS 31 -2.440 3.644 4.683
194 HB2 CYS 31 1HB CYS 31 -2.538 4.012 2.148
195 HB3 CYS 31 2HB CYS 31 -3.255 5.577 2.519
196 H ARG 32 H ARG 32 -2.331 4.795 6.484
197 HA ARG 32 HA ARG 32 -4.447 6.602 7.220
198 HB2 ARG 32 1HB ARG 32 -1.869 5.877 8.625
199 HB3 ARG 32 2HB ARG 32 -3.145 6.869 9.319
200 HG2 ARG 32 1HG ARG 32 -4.587 5.084 9.558
201 HG3 ARG 32 2HG ARG 32 -3.773 4.128 8.318
202 HD2 ARG 32 1HD ARG 32 -3.146 3.095 10.310
203 HD3 ARG 32 2HD ARG 32 -1.770 4.128 9.926
204 HE ARG 32 HE ARG 32 -3.400 5.640 11.543
205 HH11 ARG 32 2HH1 ARG 32 -1.732 2.594 11.791
206 HH12 ARG 32 1HH1 ARG 32 -1.506 2.709 13.505
207 HH21 ARG 32 2HH2 ARG 32 -3.109 5.803 13.799
208 HH22 ARG 32 1HH2 ARG 32 -2.290 4.534 14.646
209 H LEU 33 H LEU 33 -1.805 6.953 5.298
210 HA LEU 33 HA LEU 33 -1.071 9.625 6.181
211 HB2 LEU 33 1HB LEU 33 -0.064 7.750 4.075
212 HB3 LEU 33 2HB LEU 33 0.387 9.454 4.049
213 HG LEU 33 HG LEU 33 0.904 7.630 6.391
214 HD11 LEU 33 1HD1 LEU 33 3.106 8.503 4.620
215 HD12 LEU 33 2HD1 LEU 33 2.059 7.216 4.023
216 HD13 LEU 33 3HD1 LEU 33 2.916 7.017 5.551
217 HD21 LEU 33 1HD2 LEU 33 2.381 10.145 5.760
218 HD22 LEU 33 2HD2 LEU 33 2.115 9.355 7.314
219 HD23 LEU 33 3HD2 LEU 33 0.799 10.236 6.536
220 H CYS 34 H CYS 34 -2.378 8.102 3.238
221 HA CYS 34 HA CYS 34 -3.459 10.731 2.463
222 HB2 CYS 34 1HB CYS 34 -3.430 9.953 0.159
223 HB3 CYS 34 2HB CYS 34 -1.829 9.771 0.868
224 H GLY 35 H GLY 35 -4.171 7.272 2.679
225 HA2 GLY 35 1HA GLY 35 -6.324 6.582 3.545
226 HA3 GLY 35 2HA GLY 35 -7.036 7.971 2.737
227 H ARG 36 H ARG 36 -4.658 5.936 1.187
228 HA ARG 36 HA ARG 36 -6.723 5.094 -0.723
229 HB2 ARG 36 1HB ARG 36 -3.789 5.604 -0.926
230 HB3 ARG 36 2HB ARG 36 -4.510 4.428 -2.017
231 HG2 ARG 36 1HG ARG 36 -6.239 6.401 -2.397
232 HG3 ARG 36 2HG ARG 36 -4.849 7.367 -1.897
233 HD2 ARG 36 1HD ARG 36 -3.501 6.145 -3.625
234 HD3 ARG 36 2HD ARG 36 -5.007 5.426 -4.195
235 HE ARG 36 HE ARG 36 -5.249 8.237 -4.106
236 HH11 ARG 36 2HH1 ARG 36 -3.722 5.690 -5.922
237 HH12 ARG 36 1HH1 ARG 36 -3.682 6.591 -7.401
238 HH21 ARG 36 2HH2 ARG 36 -5.202 9.434 -6.047
239 HH22 ARG 36 1HH2 ARG 36 -4.522 8.721 -7.471
240 H GLN 37 H GLN 37 -7.092 2.970 -1.188
241 HA GLN 37 HA GLN 37 -6.323 1.047 0.778
242 HB2 GLN 37 1HB GLN 37 -7.744 0.633 -1.858
243 HB3 GLN 37 2HB GLN 37 -7.651 -0.531 -0.543
244 HG2 GLN 37 1HG GLN 37 -9.788 0.491 -0.451
245 HG3 GLN 37 2HG GLN 37 -8.842 1.114 0.900
246 HE21 GLN 37 1HE2 GLN 37 -9.107 3.191 1.228
247 HE22 GLN 37 2HE2 GLN 37 -9.425 4.388 0.024
248 H VAL 38 H VAL 38 -4.707 -0.387 0.754
249 HA VAL 38 HA VAL 38 -3.282 -0.864 -1.775
250 HB VAL 38 HB VAL 38 -1.963 -0.354 0.895
251 HG11 VAL 38 1HG1 VAL 38 -0.366 -1.676 0.045
252 HG12 VAL 38 2HG1 VAL 38 -1.034 -1.597 -1.586
253 HG13 VAL 38 3HG1 VAL 38 0.005 -0.300 -0.994
254 HG21 VAL 38 1HG2 VAL 38 -2.635 1.737 0.043
255 HG22 VAL 38 2HG2 VAL 38 -0.937 1.574 -0.406
256 HG23 VAL 38 3HG2 VAL 38 -2.197 1.295 -1.608
257 H SER 39 H SER 39 -3.603 -2.948 -2.203
258 HA SER 39 HA SER 39 -4.036 -4.891 -0.129
259 HB2 SER 39 1HB SER 39 -4.253 -6.496 -1.984
260 HB3 SER 39 2HB SER 39 -5.229 -5.055 -2.270
261 HG SER 39 HG SER 39 -3.109 -4.383 -3.410
262 H ARG 40 H ARG 40 -2.756 -6.763 0.251
263 HA ARG 40 HA ARG 40 0.092 -6.223 0.036
264 HB2 ARG 40 1HB ARG 40 -1.470 -8.346 1.511
265 HB3 ARG 40 2HB ARG 40 0.285 -8.248 1.515
266 HG2 ARG 40 1HG ARG 40 0.187 -6.065 2.566
267 HG3 ARG 40 2HG ARG 40 -1.577 -6.100 2.507
268 HD2 ARG 40 1HD ARG 40 0.120 -8.117 3.970
269 HD3 ARG 40 2HD ARG 40 -0.615 -6.704 4.726
270 HE ARG 40 HE ARG 40 -2.745 -7.874 3.632
271 HH11 ARG 40 2HH1 ARG 40 -0.127 -9.196 5.508
272 HH12 ARG 40 1HH1 ARG 40 -1.087 -10.463 6.197
273 HH21 ARG 40 2HH2 ARG 40 -4.019 -9.538 4.532
274 HH22 ARG 40 1HH2 ARG 40 -3.301 -10.657 5.640
275 H GLY 41 H GLY 41 -2.203 -8.778 -0.879
276 HA2 GLY 41 1HA GLY 41 -2.129 -10.258 -2.645
277 HA3 GLY 41 2HA GLY 41 -0.717 -9.398 -3.241
278 HA PRO 42 HA PRO 42 0.337 -13.626 -1.320
279 HB2 PRO 42 1HB PRO 42 0.767 -15.007 -3.617
280 HB3 PRO 42 2HB PRO 42 -0.806 -14.945 -2.814
281 HG2 PRO 42 1HG PRO 42 0.186 -13.374 -5.161
282 HG3 PRO 42 2HG PRO 42 -1.392 -14.144 -4.917
283 HD2 PRO 42 1HD PRO 42 -0.994 -11.490 -4.555
284 HD3 PRO 42 2HD PRO 42 -2.172 -12.418 -3.604
285 H GLY 43 H GLY 43 2.163 -12.185 -0.786
286 HA2 GLY 43 1HA GLY 43 4.614 -13.035 -1.320
287 HA3 GLY 43 2HA GLY 43 4.312 -12.071 -2.758
288 H VAL 44 H VAL 44 3.356 -11.457 0.602
289 HA VAL 44 HA VAL 44 4.858 -8.926 0.460
290 HB VAL 44 HB VAL 44 2.371 -8.747 0.713
291 HG11 VAL 44 1HG1 VAL 44 2.999 -10.266 3.210
292 HG12 VAL 44 2HG1 VAL 44 1.639 -9.142 3.175
293 HG13 VAL 44 3HG1 VAL 44 1.689 -10.502 2.054
294 HG21 VAL 44 1HG2 VAL 44 2.490 -6.919 2.153
295 HG22 VAL 44 2HG2 VAL 44 3.717 -7.676 3.169
296 HG23 VAL 44 3HG2 VAL 44 4.144 -7.083 1.564
297 H ASN 45 H ASN 45 6.037 -11.451 1.210
298 HA ASN 45 HA ASN 45 6.620 -10.933 4.052
299 HB2 ASN 45 1HB ASN 45 5.532 -13.164 3.416
300 HB3 ASN 45 2HB ASN 45 7.070 -13.569 2.660
301 HD21 ASN 45 1HD2 ASN 45 6.046 -12.048 5.702
302 HD22 ASN 45 2HD2 ASN 45 7.026 -13.040 6.722
303 H VAL 46 H VAL 46 7.949 -11.632 0.882
304 HA VAL 46 HA VAL 46 10.538 -12.165 1.180
305 HB VAL 46 HB VAL 46 9.473 -9.927 -0.548
306 HG11 VAL 46 1HG1 VAL 46 11.500 -10.328 -1.918
307 HG12 VAL 46 2HG1 VAL 46 11.857 -9.676 -0.318
308 HG13 VAL 46 3HG1 VAL 46 12.107 -11.390 -0.649
309 HG21 VAL 46 1HG2 VAL 46 9.193 -11.517 -2.251
310 HG22 VAL 46 2HG2 VAL 46 10.149 -12.729 -1.398
311 HG23 VAL 46 3HG2 VAL 46 8.546 -12.293 -0.805
312 H GLY 47 H GLY 47 9.131 -8.968 1.807
313 HA2 GLY 47 1HA GLY 47 10.556 -8.213 3.966
314 HA3 GLY 47 2HA GLY 47 11.682 -7.890 2.655
315 H THR 48 H THR 48 10.812 -6.515 0.857
316 HA THR 48 HA THR 48 9.951 -4.050 1.854
317 HB THR 48 HB THR 48 9.733 -5.022 -1.002
318 HG1 THR 48 1HG THR 48 11.864 -5.199 -0.355
319 HG21 THR 48 1HG2 THR 48 8.517 -3.022 -0.883
320 HG22 THR 48 2HG2 THR 48 10.123 -2.512 -1.404
321 HG23 THR 48 3HG2 THR 48 9.635 -2.307 0.278
322 H THR 49 H THR 49 8.067 -4.387 3.082
323 HA THR 49 HA THR 49 5.735 -5.648 2.268
324 HB THR 49 HB THR 49 5.654 -3.148 3.938
325 HG1 THR 49 1HG THR 49 6.499 -4.257 5.636
326 HG21 THR 49 1HG2 THR 49 4.072 -5.686 3.735
327 HG22 THR 49 2HG2 THR 49 3.507 -4.015 3.719
328 HG23 THR 49 3HG2 THR 49 4.062 -4.743 5.225
329 H ALA 50 H ALA 50 4.231 -5.209 0.795
330 HA ALA 50 HA ALA 50 4.317 -3.473 -1.227
331 HB1 ALA 50 1HB ALA 50 2.557 -5.185 -0.896
332 HB2 ALA 50 2HB ALA 50 1.744 -4.086 0.219
333 HB3 ALA 50 3HB ALA 50 1.930 -3.642 -1.478
334 H LEU 51 H LEU 51 3.170 -2.679 2.013
335 HA LEU 51 HA LEU 51 2.111 -0.156 1.541
336 HB2 LEU 51 1HB LEU 51 3.701 -0.907 3.983
337 HB3 LEU 51 2HB LEU 51 2.401 0.277 3.864
338 HG LEU 51 HG LEU 51 2.013 -2.692 3.509
339 HD11 LEU 51 1HD1 LEU 51 1.858 -0.947 5.939
340 HD12 LEU 51 2HD1 LEU 51 2.640 -2.515 5.742
341 HD13 LEU 51 3HD1 LEU 51 0.881 -2.409 5.796
342 HD21 LEU 51 1HD2 LEU 51 0.183 -1.767 2.500
343 HD22 LEU 51 2HD2 LEU 51 0.241 -0.302 3.481
344 HD23 LEU 51 3HD2 LEU 51 -0.380 -1.803 4.171
345 H TRP 52 H TRP 52 5.439 -0.978 2.518
346 HA TRP 52 HA TRP 52 6.552 1.526 2.580
347 HB2 TRP 52 1HB TRP 52 7.680 -1.138 1.762
348 HB3 TRP 52 2HB TRP 52 8.678 0.313 1.719
349 HD1 TRP 52 HD TRP 52 7.482 -2.344 4.033
350 HE1 TRP 52 1HE TRP 52 8.225 -1.822 6.442
351 HE3 TRP 52 3HE TRP 52 9.020 2.488 3.380
352 HZ2 TRP 52 2HZ TRP 52 9.317 0.351 7.875
353 HZ3 TRP 52 3HZ TRP 52 9.901 3.718 5.321
354 HH2 TRP 52 HH TRP 52 10.045 2.670 7.521
355 H LYS 53 H LYS 53 6.338 -0.596 -0.274
356 HA LYS 53 HA LYS 53 7.537 0.968 -2.166
357 HB2 LYS 53 1HB LYS 53 5.193 -0.899 -2.309
358 HB3 LYS 53 2HB LYS 53 5.707 -0.019 -3.743
359 HG2 LYS 53 1HG LYS 53 7.875 -1.036 -3.665
360 HG3 LYS 53 2HG LYS 53 7.512 -1.793 -2.112
361 HD2 LYS 53 1HD LYS 53 5.513 -2.846 -3.435
362 HD3 LYS 53 2HD LYS 53 6.511 -2.475 -4.843
363 HE2 LYS 53 1HE LYS 53 8.382 -3.711 -3.739
364 HE3 LYS 53 2HE LYS 53 7.247 -4.200 -2.482
365 HZ1 LYS 53 1HZ LYS 53 7.729 -5.575 -4.748
366 HZ2 LYS 53 2HZ LYS 53 6.327 -4.723 -5.162
367 HZ3 LYS 53 3HZ LYS 53 6.333 -5.732 -3.804
368 H HIS 54 H HIS 54 4.223 1.247 -0.960
369 HA HIS 54 HA HIS 54 3.492 3.358 -2.732
370 HB2 HIS 54 1HB HIS 54 1.785 1.935 -1.745
371 HB3 HIS 54 2HB HIS 54 2.258 2.442 -0.126
372 HD1 HIS 54 1HD HIS 54 0.843 3.985 -3.298
373 HD2 HIS 54 2HD HIS 54 0.847 4.557 0.817
374 HE1 HIS 54 1HE HIS 54 -0.755 5.881 -2.881
375 H LEU 55 H LEU 55 4.570 3.230 0.642
376 HA LEU 55 HA LEU 55 4.306 5.946 1.244
377 HB2 LEU 55 1HB LEU 55 6.252 3.892 2.274
378 HB3 LEU 55 2HB LEU 55 6.070 5.504 2.963
379 HG LEU 55 HG LEU 55 3.759 3.592 2.798
380 HD11 LEU 55 1HD1 LEU 55 5.451 2.390 3.998
381 HD12 LEU 55 2HD1 LEU 55 4.274 3.007 5.156
382 HD13 LEU 55 3HD1 LEU 55 5.834 3.809 4.973
383 HD21 LEU 55 1HD2 LEU 55 4.268 5.740 4.827
384 HD22 LEU 55 2HD2 LEU 55 2.742 4.986 4.366
385 HD23 LEU 55 3HD2 LEU 55 3.540 6.108 3.264
386 H LYS 56 H LYS 56 7.097 4.156 -0.034
387 HA LYS 56 HA LYS 56 8.701 6.526 -0.289
388 HB2 LYS 56 1HB LYS 56 9.180 3.836 -1.574
389 HB3 LYS 56 2HB LYS 56 10.369 5.092 -1.252
390 HG2 LYS 56 1HG LYS 56 10.551 4.555 0.946
391 HG3 LYS 56 2HG LYS 56 8.879 4.002 1.065
392 HD2 LYS 56 1HD LYS 56 10.135 2.042 1.254
393 HD3 LYS 56 2HD LYS 56 9.626 2.057 -0.436
394 HE2 LYS 56 1HE LYS 56 12.218 3.336 0.264
395 HE3 LYS 56 2HE LYS 56 12.133 1.575 0.268
396 HZ1 LYS 56 1HZ LYS 56 11.488 1.564 -1.998
397 HZ2 LYS 56 2HZ LYS 56 12.826 2.591 -1.883
398 HZ3 LYS 56 3HZ LYS 56 11.272 3.242 -2.029
399 H SER 57 H SER 57 6.178 5.237 -2.067
400 HA SER 57 HA SER 57 7.121 6.029 -4.680
401 HB2 SER 57 1HB SER 57 5.647 4.146 -4.632
402 HB3 SER 57 2HB SER 57 4.455 5.023 -3.672
403 HG SER 57 HG SER 57 4.036 6.331 -5.447
404 H MET 58 H MET 58 4.825 7.230 -2.270
405 HA MET 58 HA MET 58 4.787 9.797 -3.713
406 HB2 MET 58 1HB MET 58 2.489 10.138 -3.037
407 HB3 MET 58 2HB MET 58 2.621 8.609 -3.896
408 HG2 MET 58 1HG MET 58 2.311 7.353 -1.975
409 HG3 MET 58 2HG MET 58 2.759 8.687 -0.914
410 HE1 MET 58 1HE MET 58 -0.275 7.694 -3.561
411 HE2 MET 58 2HE MET 58 -0.981 9.306 -3.437
412 HE3 MET 58 3HE MET 58 0.686 9.112 -3.982
413 H HIS 59 H HIS 59 4.742 8.131 -0.622
414 HA HIS 59 HA HIS 59 4.992 10.643 0.836
415 HB2 HIS 59 1HB HIS 59 4.924 7.804 1.880
416 HB3 HIS 59 2HB HIS 59 4.827 9.270 2.851
417 HD1 HIS 59 1HD HIS 59 2.633 10.811 2.271
418 HD2 HIS 59 2HD HIS 59 2.512 6.815 1.141
419 HE1 HIS 59 1HE HIS 59 0.201 10.291 1.902
420 H ARG 60 H ARG 60 7.099 9.510 -0.989
421 HA ARG 60 HA ARG 60 9.266 8.453 0.350
422 HB2 ARG 60 1HB ARG 60 9.351 8.641 -2.024
423 HB3 ARG 60 2HB ARG 60 9.146 10.386 -1.960
424 HG2 ARG 60 1HG ARG 60 11.334 10.746 -1.275
425 HG3 ARG 60 2HG ARG 60 11.533 9.084 -0.716
426 HD2 ARG 60 1HD ARG 60 10.974 9.557 -3.600
427 HD3 ARG 60 2HD ARG 60 12.588 9.916 -2.989
428 HE ARG 60 HE ARG 60 12.101 7.422 -2.051
429 HH11 ARG 60 2HH1 ARG 60 11.944 8.877 -5.210
430 HH12 ARG 60 1HH1 ARG 60 12.340 7.414 -6.048
431 HH21 ARG 60 2HH2 ARG 60 12.624 5.488 -3.143
432 HH22 ARG 60 1HH2 ARG 60 12.726 5.486 -4.871
433 H GLU 61 H GLU 61 8.188 11.802 0.185
434 HA GLU 61 HA GLU 61 10.472 12.911 1.467
435 HB2 GLU 61 1HB GLU 61 7.665 13.960 1.094
436 HB3 GLU 61 2HB GLU 61 8.964 14.898 1.817
437 HG2 GLU 61 1HG GLU 61 10.201 14.906 -0.205
438 HG3 GLU 61 2HG GLU 61 9.133 13.709 -0.937
439 H GLU 62 H GLU 62 7.324 11.785 2.602
440 HA GLU 62 HA GLU 62 7.530 12.679 5.256
441 HB2 GLU 62 1HB GLU 62 5.398 11.977 4.470
442 HB3 GLU 62 2HB GLU 62 6.011 10.397 4.003
443 HG2 GLU 62 1HG GLU 62 4.928 9.863 5.932
444 HG3 GLU 62 2HG GLU 62 6.543 10.191 6.559
445 H LEU 63 H LEU 63 8.327 9.521 3.823
446 HA LEU 63 HA LEU 63 9.190 8.234 6.127
447 HB2 LEU 63 1HB LEU 63 10.319 7.917 3.351
448 HB3 LEU 63 2HB LEU 63 10.438 6.750 4.666
449 HG LEU 63 HG LEU 63 7.878 7.581 3.301
450 HD11 LEU 63 1HD1 LEU 63 7.920 5.451 2.215
451 HD12 LEU 63 2HD1 LEU 63 9.384 4.982 3.079
452 HD13 LEU 63 3HD1 LEU 63 9.445 6.271 1.877
453 HD21 LEU 63 1HD2 LEU 63 7.067 6.862 5.287
454 HD22 LEU 63 2HD2 LEU 63 8.512 5.924 5.665
455 HD23 LEU 63 3HD2 LEU 63 7.309 5.280 4.547
456 H GLU 64 H GLU 64 11.174 9.994 3.743
457 HA GLU 64 HA GLU 64 13.638 9.748 4.944
458 HB2 GLU 64 1HB GLU 64 12.473 12.066 3.401
459 HB3 GLU 64 2HB GLU 64 14.164 11.977 3.873
460 HG2 GLU 64 1HG GLU 64 14.410 9.910 2.588
461 HG3 GLU 64 2HG GLU 64 12.719 10.018 2.103
462 H LYS 65 H LYS 65 11.200 12.268 5.528
463 HA LYS 65 HA LYS 65 12.539 13.850 7.330
464 HB2 LYS 65 1HB LYS 65 10.144 14.060 6.368
465 HB3 LYS 65 2HB LYS 65 9.657 13.122 7.774
466 HG2 LYS 65 1HG LYS 65 10.195 14.808 9.253
467 HG3 LYS 65 2HG LYS 65 11.315 15.579 8.128
468 HD2 LYS 65 1HD LYS 65 9.540 17.025 7.997
469 HD3 LYS 65 2HD LYS 65 9.128 15.906 6.696
470 HE2 LYS 65 1HE LYS 65 7.151 16.236 7.961
471 HE3 LYS 65 2HE LYS 65 7.754 14.633 8.378
472 HZ1 LYS 65 1HZ LYS 65 7.982 15.226 10.491
473 HZ2 LYS 65 2HZ LYS 65 7.117 16.634 10.130
474 HZ3 LYS 65 3HZ LYS 65 8.809 16.649 10.099
475 H SER 66 H SER 66 10.680 10.904 8.027
476 HA SER 66 HA SER 66 11.440 10.977 10.820
477 HB2 SER 66 1HB SER 66 9.687 9.226 9.137
478 HB3 SER 66 2HB SER 66 10.254 8.630 10.697
479 HG SER 66 HG SER 66 9.390 11.121 11.023
480 H GLY 67 H GLY 67 13.581 10.783 8.884
481 HA2 GLY 67 1HA GLY 67 15.453 9.530 8.392
482 HA3 GLY 67 2HA GLY 67 15.321 9.060 10.080
483 H HIS 68 H HIS 68 13.247 8.289 7.300
484 HA HIS 68 HA HIS 68 13.729 5.439 7.868
485 HB2 HIS 68 1HB HIS 68 11.291 6.875 6.828
486 HB3 HIS 68 2HB HIS 68 11.487 5.131 6.672
487 HD1 HIS 68 1HD HIS 68 12.578 4.425 9.429
488 HD2 HIS 68 2HD HIS 68 9.448 7.085 8.807
489 HE1 HIS 68 1HE HIS 68 11.291 4.464 11.589
490 H GLY 69 H GLY 69 12.631 7.445 5.121
491 HA2 GLY 69 1HA GLY 69 13.023 7.202 2.861
492 HA3 GLY 69 2HA GLY 69 14.697 7.077 3.381
493 H GLN 70 H GLN 70 15.749 5.258 2.918
494 HA GLN 70 HA GLN 70 14.242 3.048 1.766
495 HB2 GLN 70 1HB GLN 70 17.160 3.779 1.822
496 HB3 GLN 70 2HB GLN 70 16.625 2.188 1.297
497 HG2 GLN 70 1HG GLN 70 16.749 3.278 -0.702
498 HG3 GLN 70 2HG GLN 70 15.061 3.563 -0.281
499 HE21 GLN 70 1HE2 GLN 70 18.007 4.969 -1.103
500 HE22 GLN 70 2HE2 GLN 70 17.588 6.619 -0.811
501 H SER 71 H SER 71 13.804 3.275 4.473
502 HA SER 71 HA SER 71 15.337 2.071 6.327
503 HB2 SER 71 1HB SER 71 12.422 1.366 5.917
504 HB3 SER 71 2HB SER 71 13.324 1.285 7.430
505 HG SER 71 HG SER 71 13.655 3.718 6.615
506 H GLY 72 H GLY 72 16.721 0.451 5.867
507 HA2 GLY 72 1HA GLY 72 16.417 -2.119 6.092
508 HA3 GLY 72 2HA GLY 72 15.686 -1.938 4.505
509 HA PRO 73 HA PRO 73 20.124 -2.881 3.776
510 HB2 PRO 73 1HB PRO 73 19.656 -4.429 1.596
511 HB3 PRO 73 2HB PRO 73 19.585 -5.052 3.249
512 HG2 PRO 73 1HG PRO 73 17.350 -4.198 1.450
513 HG3 PRO 73 2HG PRO 73 17.452 -5.614 2.513
514 HD2 PRO 73 1HD PRO 73 16.096 -3.372 3.197
515 HD3 PRO 73 2HD PRO 73 16.915 -4.395 4.395
516 H SER 74 H SER 74 21.436 -2.495 1.816
517 HA SER 74 HA SER 74 20.996 0.008 0.710
518 HB2 SER 74 1HB SER 74 22.686 -2.284 -0.312
519 HB3 SER 74 2HB SER 74 22.749 -0.649 -0.970
520 HG SER 74 HG SER 74 23.105 -0.102 1.407
521 H SER 75 H SER 75 20.368 0.718 -1.356
522 HA SER 75 HA SER 75 18.106 -0.592 -2.430
523 HB2 SER 75 1HB SER 75 18.178 1.169 -4.169
524 HB3 SER 75 2HB SER 75 18.352 1.837 -2.546
525 HG SER 75 HG SER 75 20.487 2.178 -2.907
526 H GLY 76 H GLY 76 18.085 -2.333 -3.678
527 HA2 GLY 76 1HA GLY 76 19.662 -2.523 -6.048
528 HA3 GLY 76 2HA GLY 76 20.269 -3.598 -4.797
Start of MODEL 17
1 H1 GLY 1 H GLY 1 24.254 -15.501 -0.386
2 HA2 GLY 1 1HA GLY 1 24.355 -14.966 2.157
3 HA3 GLY 1 2HA GLY 1 24.437 -13.616 1.034
4 H SER 2 H SER 2 21.735 -15.678 2.091
5 HA SER 2 HA SER 2 19.967 -13.447 2.275
6 HB2 SER 2 1HB SER 2 18.346 -15.086 3.158
7 HB3 SER 2 2HB SER 2 19.140 -15.683 1.701
8 HG SER 2 HG SER 2 19.747 -16.379 4.385
9 H SER 3 H SER 3 19.598 -12.128 3.931
10 HA SER 3 HA SER 3 20.495 -12.954 6.613
11 HB2 SER 3 1HB SER 3 22.099 -11.343 5.779
12 HB3 SER 3 2HB SER 3 20.806 -10.238 5.313
13 HG SER 3 HG SER 3 21.678 -10.949 7.902
14 H GLY 4 H GLY 4 18.828 -13.088 7.952
15 HA2 GLY 4 1HA GLY 4 16.234 -12.559 7.602
16 HA3 GLY 4 2HA GLY 4 16.995 -12.328 9.169
17 H SER 5 H SER 5 14.750 -10.893 7.954
18 HA SER 5 HA SER 5 15.821 -8.190 8.287
19 HB2 SER 5 1HB SER 5 13.977 -8.977 6.017
20 HB3 SER 5 2HB SER 5 14.549 -7.347 6.371
21 HG SER 5 HG SER 5 16.473 -9.332 6.042
22 H SER 6 H SER 6 14.593 -6.961 9.571
23 HA SER 6 HA SER 6 11.818 -7.812 10.072
24 HB2 SER 6 1HB SER 6 13.256 -8.434 11.973
25 HB3 SER 6 2HB SER 6 13.785 -6.758 12.120
26 HG SER 6 HG SER 6 11.800 -6.177 12.815
27 H GLY 7 H GLY 7 10.344 -6.284 9.732
28 HA2 GLY 7 1HA GLY 7 10.957 -3.491 10.249
29 HA3 GLY 7 2HA GLY 7 10.650 -3.893 8.566
30 H SER 8 H SER 8 8.564 -4.728 7.988
31 HA SER 8 HA SER 8 6.306 -4.235 7.940
32 HB2 SER 8 1HB SER 8 6.813 -6.468 9.278
33 HB3 SER 8 2HB SER 8 6.124 -5.549 10.617
34 HG SER 8 HG SER 8 4.918 -6.384 8.220
35 H GLU 9 H GLU 9 7.849 -2.102 9.139
36 HA GLU 9 HA GLU 9 6.244 -1.174 11.379
37 HB2 GLU 9 1HB GLU 9 8.652 -0.815 11.470
38 HB3 GLU 9 2HB GLU 9 8.598 0.079 9.957
39 HG2 GLU 9 1HG GLU 9 7.680 1.939 10.923
40 HG3 GLU 9 2HG GLU 9 6.940 1.025 12.237
41 H ALA 10 H ALA 10 6.508 -0.724 7.963
42 HA ALA 10 HA ALA 10 5.418 1.801 7.605
43 HB1 ALA 10 1HB ALA 10 4.690 1.001 5.396
44 HB2 ALA 10 2HB ALA 10 6.347 0.525 5.768
45 HB3 ALA 10 3HB ALA 10 5.042 -0.654 5.895
46 H TRP 11 H TRP 11 3.926 -1.079 8.750
47 HA TRP 11 HA TRP 11 1.275 -0.747 8.035
48 HB2 TRP 11 1HB TRP 11 2.656 -1.999 10.365
49 HB3 TRP 11 2HB TRP 11 0.910 -1.786 10.449
50 HD1 TRP 11 HD TRP 11 3.374 -4.246 9.395
51 HE1 TRP 11 1HE TRP 11 2.340 -5.996 7.816
52 HE3 TRP 11 3HE TRP 11 -0.976 -1.824 8.236
53 HZ2 TRP 11 2HZ TRP 11 -0.009 -6.308 6.282
54 HZ3 TRP 11 3HZ TRP 11 -2.562 -2.916 6.705
55 HH2 TRP 11 HH TRP 11 -2.087 -5.111 5.749
56 H GLU 12 H GLU 12 3.186 1.061 10.291
57 HA GLU 12 HA GLU 12 1.175 2.168 11.890
58 HB2 GLU 12 1HB GLU 12 3.804 3.374 11.012
59 HB3 GLU 12 2HB GLU 12 2.792 4.008 12.302
60 HG2 GLU 12 1HG GLU 12 3.030 1.715 13.386
61 HG3 GLU 12 2HG GLU 12 4.329 1.436 12.228
62 H TYR 13 H TYR 13 1.967 2.708 8.600
63 HA TYR 13 HA TYR 13 0.401 5.193 8.541
64 HB2 TYR 13 1HB TYR 13 2.083 4.044 6.312
65 HB3 TYR 13 2HB TYR 13 1.420 5.670 6.424
66 HD1 TYR 13 2HD TYR 13 4.040 3.400 7.618
67 HD2 TYR 13 1HD TYR 13 2.472 7.351 7.813
68 HE1 TYR 13 2HE TYR 13 6.121 4.168 8.681
69 HE2 TYR 13 1HE TYR 13 4.549 8.129 8.876
70 HH TYR 13 HH TYR 13 6.588 7.579 9.557
71 H PHE 14 H PHE 14 -0.496 2.263 8.632
72 HA PHE 14 HA PHE 14 -2.605 2.582 6.663
73 HB2 PHE 14 1HB PHE 14 -0.796 0.156 6.673
74 HB3 PHE 14 2HB PHE 14 -2.286 0.302 5.746
75 HD1 PHE 14 1HD PHE 14 1.127 1.650 6.145
76 HD2 PHE 14 2HD PHE 14 -2.333 1.425 3.676
77 HE1 PHE 14 1HE PHE 14 2.387 2.670 4.293
78 HE2 PHE 14 2HE PHE 14 -1.079 2.444 1.820
79 HZ PHE 14 HZ PHE 14 1.284 3.067 2.127
80 H HIS 15 H HIS 15 -4.437 1.249 7.062
81 HA HIS 15 HA HIS 15 -4.414 -0.299 9.545
82 HB2 HIS 15 1HB HIS 15 -6.001 0.935 10.638
83 HB3 HIS 15 2HB HIS 15 -5.245 2.230 9.715
84 HD1 HIS 15 1HD HIS 15 -8.165 -0.177 9.289
85 HD2 HIS 15 2HD HIS 15 -7.032 3.702 8.323
86 HE1 HIS 15 1HE HIS 15 -10.166 0.847 8.160
87 H LEU 16 H LEU 16 -5.319 -2.209 9.197
88 HA LEU 16 HA LEU 16 -6.600 -2.890 6.781
89 HB2 LEU 16 1HB LEU 16 -6.447 -4.299 9.436
90 HB3 LEU 16 2HB LEU 16 -7.191 -5.009 8.004
91 HG LEU 16 HG LEU 16 -4.331 -4.093 7.995
92 HD11 LEU 16 1HD1 LEU 16 -4.744 -5.701 9.873
93 HD12 LEU 16 2HD1 LEU 16 -3.605 -6.260 8.649
94 HD13 LEU 16 3HD1 LEU 16 -5.256 -6.878 8.664
95 HD21 LEU 16 1HD2 LEU 16 -4.660 -4.613 5.843
96 HD22 LEU 16 2HD2 LEU 16 -6.150 -5.494 6.184
97 HD23 LEU 16 3HD2 LEU 16 -4.588 -6.288 6.390
98 H ALA 17 H ALA 17 -8.730 -3.216 6.255
99 HA ALA 17 HA ALA 17 -10.671 -1.906 8.007
100 HB1 ALA 17 1HB ALA 17 -10.722 -1.044 5.808
101 HB2 ALA 17 2HB ALA 17 -10.735 -2.657 5.096
102 HB3 ALA 17 3HB ALA 17 -12.152 -2.065 5.964
103 HA PRO 18 HA PRO 18 -12.485 -5.704 9.304
104 HB2 PRO 18 1HB PRO 18 -14.955 -4.790 9.964
105 HB3 PRO 18 2HB PRO 18 -13.519 -4.473 10.945
106 HG2 PRO 18 1HG PRO 18 -14.877 -2.705 8.947
107 HG3 PRO 18 2HG PRO 18 -14.227 -2.294 10.545
108 HD2 PRO 18 1HD PRO 18 -12.892 -1.764 8.249
109 HD3 PRO 18 2HD PRO 18 -12.061 -2.157 9.767
110 H ALA 19 H ALA 19 -13.970 -7.289 8.653
111 HA ALA 19 HA ALA 19 -15.474 -6.701 6.190
112 HB1 ALA 19 1HB ALA 19 -14.922 -9.073 5.496
113 HB2 ALA 19 2HB ALA 19 -13.594 -7.913 5.439
114 HB3 ALA 19 3HB ALA 19 -13.705 -9.062 6.773
115 H ARG 20 H ARG 20 -17.572 -6.978 6.523
116 HA ARG 20 HA ARG 20 -18.506 -8.632 8.718
117 HB2 ARG 20 1HB ARG 20 -20.732 -7.714 8.150
118 HB3 ARG 20 2HB ARG 20 -19.536 -6.457 8.436
119 HG2 ARG 20 1HG ARG 20 -19.315 -6.044 6.088
120 HG3 ARG 20 2HG ARG 20 -20.340 -7.428 5.704
121 HD2 ARG 20 1HD ARG 20 -22.074 -6.157 7.209
122 HD3 ARG 20 2HD ARG 20 -21.080 -4.758 6.807
123 HE ARG 20 HE ARG 20 -21.926 -6.359 4.552
124 HH11 ARG 20 2HH1 ARG 20 -22.606 -3.635 6.610
125 HH12 ARG 20 1HH1 ARG 20 -23.629 -2.850 5.453
126 HH21 ARG 20 2HH2 ARG 20 -23.271 -5.335 3.020
127 HH22 ARG 20 1HH2 ARG 20 -24.007 -3.818 3.412
128 H ALA 21 H ALA 21 -17.270 -9.985 6.505
129 HA ALA 21 HA ALA 21 -19.448 -11.809 5.860
130 HB1 ALA 21 1HB ALA 21 -19.472 -11.540 3.629
131 HB2 ALA 21 2HB ALA 21 -18.820 -9.943 4.000
132 HB3 ALA 21 3HB ALA 21 -17.734 -11.254 3.540
133 H GLY 22 H GLY 22 -18.494 -13.761 4.594
134 HA2 GLY 22 1HA GLY 22 -16.628 -15.039 6.215
135 HA3 GLY 22 2HA GLY 22 -17.057 -15.551 4.590
136 H HIS 23 H HIS 23 -16.123 -13.349 3.141
137 HA HIS 23 HA HIS 23 -13.589 -13.974 2.470
138 HB2 HIS 23 1HB HIS 23 -14.964 -11.299 2.477
139 HB3 HIS 23 2HB HIS 23 -13.323 -11.476 1.864
140 HD1 HIS 23 1HD HIS 23 -13.186 -13.554 -0.029
141 HD2 HIS 23 2HD HIS 23 -16.804 -11.590 0.530
142 HE1 HIS 23 1HE HIS 23 -14.526 -14.008 -2.108
143 H HIS 24 H HIS 24 -11.565 -13.729 3.230
144 HA HIS 24 HA HIS 24 -10.956 -13.410 5.857
145 HB2 HIS 24 1HB HIS 24 -9.469 -13.978 3.733
146 HB3 HIS 24 2HB HIS 24 -8.995 -12.291 3.906
147 HD1 HIS 24 1HD HIS 24 -7.048 -11.930 5.379
148 HD2 HIS 24 2HD HIS 24 -9.077 -15.427 6.337
149 HE1 HIS 24 1HE HIS 24 -5.711 -13.000 7.220
150 HA PRO 25 HA PRO 25 -11.599 -9.173 6.879
151 HB2 PRO 25 1HB PRO 25 -10.055 -9.051 9.108
152 HB3 PRO 25 2HB PRO 25 -11.623 -9.866 9.069
153 HG2 PRO 25 1HG PRO 25 -8.874 -11.036 8.866
154 HG3 PRO 25 2HG PRO 25 -10.273 -11.618 9.788
155 HD2 PRO 25 1HD PRO 25 -9.552 -12.684 7.405
156 HD3 PRO 25 2HD PRO 25 -11.243 -12.596 7.939
157 H ASN 26 H ASN 26 -8.375 -10.489 6.483
158 HA ASN 26 HA ASN 26 -7.250 -7.800 6.198
159 HB2 ASN 26 1HB ASN 26 -5.601 -10.285 5.954
160 HB3 ASN 26 2HB ASN 26 -5.159 -8.710 6.606
161 HD21 ASN 26 1HD2 ASN 26 -7.101 -8.246 8.432
162 HD22 ASN 26 2HD2 ASN 26 -7.033 -9.430 9.690
163 H GLN 27 H GLN 27 -8.634 -7.693 4.178
164 HA GLN 27 HA GLN 27 -7.467 -9.109 1.903
165 HB2 GLN 27 1HB GLN 27 -9.369 -8.189 0.630
166 HB3 GLN 27 2HB GLN 27 -9.891 -9.109 2.034
167 HG2 GLN 27 1HG GLN 27 -10.110 -6.927 3.255
168 HG3 GLN 27 2HG GLN 27 -9.841 -6.124 1.709
169 HE21 GLN 27 1HE2 GLN 27 -11.292 -7.058 -0.089
170 HE22 GLN 27 2HE2 GLN 27 -12.959 -7.240 0.328
171 H TYR 28 H TYR 28 -8.214 -5.785 2.924
172 HA TYR 28 HA TYR 28 -6.007 -4.860 1.216
173 HB2 TYR 28 1HB TYR 28 -8.826 -3.850 1.320
174 HB3 TYR 28 2HB TYR 28 -7.516 -2.735 0.946
175 HD1 TYR 28 2HD TYR 28 -9.427 -5.634 -0.227
176 HD2 TYR 28 1HD TYR 28 -6.298 -2.900 -1.144
177 HE1 TYR 28 2HE TYR 28 -9.484 -6.364 -2.575
178 HE2 TYR 28 1HE TYR 28 -6.348 -3.622 -3.494
179 HH TYR 28 HH TYR 28 -7.677 -4.717 -5.056
180 H ALA 29 H ALA 29 -5.369 -2.558 1.808
181 HA ALA 29 HA ALA 29 -5.613 -2.152 4.717
182 HB1 ALA 29 1HB ALA 29 -3.191 -1.119 4.298
183 HB2 ALA 29 2HB ALA 29 -3.445 -2.817 4.701
184 HB3 ALA 29 3HB ALA 29 -3.193 -2.338 3.023
185 H THR 30 H THR 30 -5.857 -0.074 5.430
186 HA THR 30 HA THR 30 -6.349 1.938 3.350
187 HB THR 30 HB THR 30 -7.187 2.082 6.248
188 HG1 THR 30 1HG THR 30 -8.724 1.220 4.005
189 HG21 THR 30 1HG2 THR 30 -7.089 4.200 4.911
190 HG22 THR 30 2HG2 THR 30 -8.694 3.797 5.520
191 HG23 THR 30 3HG2 THR 30 -8.293 3.504 3.828
192 H CYS 31 H CYS 31 -4.668 3.226 2.976
193 HA CYS 31 HA CYS 31 -2.509 3.632 4.727
194 HB2 CYS 31 1HB CYS 31 -2.725 4.035 2.152
195 HB3 CYS 31 2HB CYS 31 -3.242 5.649 2.631
196 H ARG 32 H ARG 32 -2.612 4.613 6.632
197 HA ARG 32 HA ARG 32 -4.646 6.487 7.318
198 HB2 ARG 32 1HB ARG 32 -2.080 5.804 8.766
199 HB3 ARG 32 2HB ARG 32 -3.431 6.700 9.446
200 HG2 ARG 32 1HG ARG 32 -4.864 4.731 9.173
201 HG3 ARG 32 2HG ARG 32 -3.490 3.835 8.524
202 HD2 ARG 32 1HD ARG 32 -3.665 3.238 10.809
203 HD3 ARG 32 2HD ARG 32 -2.291 4.335 10.681
204 HE ARG 32 HE ARG 32 -4.812 4.838 12.020
205 HH11 ARG 32 2HH1 ARG 32 -1.849 6.160 10.758
206 HH12 ARG 32 1HH1 ARG 32 -1.919 7.591 11.732
207 HH21 ARG 32 2HH2 ARG 32 -4.916 6.718 13.308
208 HH22 ARG 32 1HH2 ARG 32 -3.664 7.907 13.183
209 H LEU 33 H LEU 33 -1.937 6.838 5.466
210 HA LEU 33 HA LEU 33 -1.214 9.498 6.378
211 HB2 LEU 33 1HB LEU 33 -0.176 7.589 4.340
212 HB3 LEU 33 2HB LEU 33 0.212 9.300 4.177
213 HG LEU 33 HG LEU 33 0.870 7.588 6.573
214 HD11 LEU 33 1HD1 LEU 33 2.852 8.718 4.637
215 HD12 LEU 33 2HD1 LEU 33 2.078 7.163 4.332
216 HD13 LEU 33 3HD1 LEU 33 3.043 7.397 5.790
217 HD21 LEU 33 1HD2 LEU 33 1.128 9.533 7.618
218 HD22 LEU 33 2HD2 LEU 33 0.830 10.440 6.135
219 HD23 LEU 33 3HD2 LEU 33 2.458 9.875 6.511
220 H CYS 34 H CYS 34 -2.390 8.061 3.331
221 HA CYS 34 HA CYS 34 -3.491 10.695 2.614
222 HB2 CYS 34 1HB CYS 34 -3.484 9.866 0.282
223 HB3 CYS 34 2HB CYS 34 -1.874 9.870 0.996
224 H GLY 35 H GLY 35 -4.223 7.272 2.933
225 HA2 GLY 35 1HA GLY 35 -6.388 6.561 3.679
226 HA3 GLY 35 2HA GLY 35 -7.083 7.964 2.882
227 H ARG 36 H ARG 36 -4.688 5.956 1.327
228 HA ARG 36 HA ARG 36 -6.704 5.195 -0.658
229 HB2 ARG 36 1HB ARG 36 -3.734 5.523 -0.708
230 HB3 ARG 36 2HB ARG 36 -4.482 4.424 -1.859
231 HG2 ARG 36 1HG ARG 36 -6.019 6.403 -2.432
232 HG3 ARG 36 2HG ARG 36 -4.811 7.386 -1.601
233 HD2 ARG 36 1HD ARG 36 -3.083 6.541 -3.107
234 HD3 ARG 36 2HD ARG 36 -4.280 5.539 -3.927
235 HE ARG 36 HE ARG 36 -5.249 8.102 -4.082
236 HH11 ARG 36 2HH1 ARG 36 -2.343 6.457 -5.067
237 HH12 ARG 36 1HH1 ARG 36 -2.067 7.488 -6.432
238 HH21 ARG 36 2HH2 ARG 36 -4.896 9.466 -5.875
239 HH22 ARG 36 1HH2 ARG 36 -3.519 9.200 -6.890
240 H GLN 37 H GLN 37 -7.017 3.068 -1.303
241 HA GLN 37 HA GLN 37 -6.423 1.090 0.721
242 HB2 GLN 37 1HB GLN 37 -7.916 0.763 -1.886
243 HB3 GLN 37 2HB GLN 37 -7.904 -0.368 -0.539
244 HG2 GLN 37 1HG GLN 37 -8.972 2.441 -0.389
245 HG3 GLN 37 2HG GLN 37 -9.957 1.010 -0.693
246 HE21 GLN 37 1HE2 GLN 37 -9.356 -0.810 0.992
247 HE22 GLN 37 2HE2 GLN 37 -9.420 -0.286 2.637
248 H VAL 38 H VAL 38 -4.721 -0.208 0.687
249 HA VAL 38 HA VAL 38 -3.468 -0.827 -1.909
250 HB VAL 38 HB VAL 38 -2.075 -0.288 0.716
251 HG11 VAL 38 1HG1 VAL 38 0.012 -0.649 -0.613
252 HG12 VAL 38 2HG1 VAL 38 -0.941 -2.108 -0.339
253 HG13 VAL 38 3HG1 VAL 38 -0.992 -1.302 -1.907
254 HG21 VAL 38 1HG2 VAL 38 -1.917 1.803 -0.011
255 HG22 VAL 38 2HG2 VAL 38 -1.028 1.232 -1.423
256 HG23 VAL 38 3HG2 VAL 38 -2.784 1.381 -1.487
257 H SER 39 H SER 39 -3.245 -2.924 -2.347
258 HA SER 39 HA SER 39 -4.030 -4.868 -0.339
259 HB2 SER 39 1HB SER 39 -4.760 -4.844 -2.825
260 HB3 SER 39 2HB SER 39 -3.171 -5.539 -3.145
261 HG SER 39 HG SER 39 -4.514 -7.247 -2.836
262 H ARG 40 H ARG 40 -2.768 -6.913 -0.144
263 HA ARG 40 HA ARG 40 0.087 -6.270 0.069
264 HB2 ARG 40 1HB ARG 40 -1.503 -8.473 1.397
265 HB3 ARG 40 2HB ARG 40 0.198 -8.124 1.676
266 HG2 ARG 40 1HG ARG 40 -0.464 -5.874 2.504
267 HG3 ARG 40 2HG ARG 40 -2.150 -6.373 2.362
268 HD2 ARG 40 1HD ARG 40 -0.099 -7.849 4.002
269 HD3 ARG 40 2HD ARG 40 -1.159 -6.600 4.656
270 HE ARG 40 HE ARG 40 -2.713 -8.541 3.345
271 HH11 ARG 40 2HH1 ARG 40 -0.754 -8.138 6.194
272 HH12 ARG 40 1HH1 ARG 40 -1.629 -9.312 7.121
273 HH21 ARG 40 2HH2 ARG 40 -3.872 -10.089 4.554
274 HH22 ARG 40 1HH2 ARG 40 -3.402 -10.422 6.186
275 H GLY 41 H GLY 41 -1.898 -9.168 -0.593
276 HA2 GLY 41 1HA GLY 41 -1.708 -10.703 -2.319
277 HA3 GLY 41 2HA GLY 41 -0.417 -9.726 -3.001
278 HA PRO 42 HA PRO 42 1.233 -13.669 -0.993
279 HB2 PRO 42 1HB PRO 42 2.133 -14.845 -3.269
280 HB3 PRO 42 2HB PRO 42 0.500 -15.094 -2.640
281 HG2 PRO 42 1HG PRO 42 1.432 -13.266 -4.819
282 HG3 PRO 42 2HG PRO 42 -0.002 -14.308 -4.770
283 HD2 PRO 42 1HD PRO 42 -0.118 -11.645 -4.291
284 HD3 PRO 42 2HD PRO 42 -1.204 -12.806 -3.500
285 H GLY 43 H GLY 43 3.105 -13.093 -0.077
286 HA2 GLY 43 1HA GLY 43 5.563 -13.182 -0.637
287 HA3 GLY 43 2HA GLY 43 5.196 -11.921 -1.804
288 H VAL 44 H VAL 44 3.256 -10.669 0.073
289 HA VAL 44 HA VAL 44 4.885 -8.718 1.180
290 HB VAL 44 HB VAL 44 2.421 -8.517 0.822
291 HG11 VAL 44 1HG1 VAL 44 2.423 -10.605 2.854
292 HG12 VAL 44 2HG1 VAL 44 1.326 -9.273 3.225
293 HG13 VAL 44 3HG1 VAL 44 1.170 -10.147 1.701
294 HG21 VAL 44 1HG2 VAL 44 4.034 -7.413 2.873
295 HG22 VAL 44 2HG2 VAL 44 2.643 -6.690 2.064
296 HG23 VAL 44 3HG2 VAL 44 2.413 -7.644 3.529
297 H ASN 45 H ASN 45 4.120 -11.864 2.365
298 HA ASN 45 HA ASN 45 4.440 -11.574 5.105
299 HB2 ASN 45 1HB ASN 45 5.459 -13.993 4.859
300 HB3 ASN 45 2HB ASN 45 3.756 -13.700 4.517
301 HD21 ASN 45 1HD2 ASN 45 3.108 -14.760 2.803
302 HD22 ASN 45 2HD2 ASN 45 4.020 -15.034 1.362
303 H VAL 46 H VAL 46 6.916 -12.127 2.620
304 HA VAL 46 HA VAL 46 8.924 -11.119 4.519
305 HB VAL 46 HB VAL 46 9.463 -13.380 4.559
306 HG11 VAL 46 1HG1 VAL 46 8.518 -13.382 1.733
307 HG12 VAL 46 2HG1 VAL 46 9.655 -14.626 2.256
308 HG13 VAL 46 3HG1 VAL 46 8.095 -14.459 3.064
309 HG21 VAL 46 1HG2 VAL 46 11.214 -11.651 3.410
310 HG22 VAL 46 2HG2 VAL 46 11.605 -13.306 3.876
311 HG23 VAL 46 3HG2 VAL 46 11.167 -12.941 2.208
312 H GLY 47 H GLY 47 9.594 -9.239 3.713
313 HA2 GLY 47 1HA GLY 47 11.188 -8.485 1.884
314 HA3 GLY 47 2HA GLY 47 9.919 -9.010 0.788
315 H THR 48 H THR 48 10.693 -6.510 0.454
316 HA THR 48 HA THR 48 9.789 -4.427 1.939
317 HB THR 48 HB THR 48 9.573 -4.688 -1.066
318 HG1 THR 48 1HG THR 48 11.682 -4.647 -0.799
319 HG21 THR 48 1HG2 THR 48 8.880 -2.558 -1.211
320 HG22 THR 48 2HG2 THR 48 9.971 -2.024 0.067
321 HG23 THR 48 3HG2 THR 48 8.412 -2.736 0.479
322 H THR 49 H THR 49 7.914 -4.444 3.038
323 HA THR 49 HA THR 49 5.516 -5.626 2.257
324 HB THR 49 HB THR 49 5.552 -3.161 3.975
325 HG1 THR 49 1HG THR 49 7.237 -4.320 4.824
326 HG21 THR 49 1HG2 THR 49 3.783 -5.449 3.507
327 HG22 THR 49 2HG2 THR 49 3.416 -3.843 4.137
328 HG23 THR 49 3HG2 THR 49 4.055 -5.088 5.210
329 H ALA 50 H ALA 50 4.014 -5.100 0.814
330 HA ALA 50 HA ALA 50 4.134 -3.307 -1.161
331 HB1 ALA 50 1HB ALA 50 2.236 -4.404 -1.556
332 HB2 ALA 50 2HB ALA 50 1.955 -4.695 0.162
333 HB3 ALA 50 3HB ALA 50 1.441 -3.175 -0.571
334 H LEU 51 H LEU 51 3.270 -2.566 2.146
335 HA LEU 51 HA LEU 51 2.199 -0.001 1.761
336 HB2 LEU 51 1HB LEU 51 3.801 -0.916 4.139
337 HB3 LEU 51 2HB LEU 51 2.585 0.359 4.095
338 HG LEU 51 HG LEU 51 1.975 -2.557 3.635
339 HD11 LEU 51 1HD1 LEU 51 2.012 -0.918 6.143
340 HD12 LEU 51 2HD1 LEU 51 2.688 -2.520 5.853
341 HD13 LEU 51 3HD1 LEU 51 0.941 -2.308 5.968
342 HD21 LEU 51 1HD2 LEU 51 0.469 -0.093 3.425
343 HD22 LEU 51 2HD2 LEU 51 -0.259 -1.212 4.577
344 HD23 LEU 51 3HD2 LEU 51 0.039 -1.726 2.916
345 H TRP 52 H TRP 52 5.526 -1.028 2.484
346 HA TRP 52 HA TRP 52 6.711 1.480 2.621
347 HB2 TRP 52 1HB TRP 52 7.817 -1.171 1.688
348 HB3 TRP 52 2HB TRP 52 8.813 0.267 1.889
349 HD1 TRP 52 HD TRP 52 7.483 -2.639 3.776
350 HE1 TRP 52 1HE TRP 52 8.015 -2.395 6.283
351 HE3 TRP 52 3HE TRP 52 8.963 2.254 3.820
352 HZ2 TRP 52 2HZ TRP 52 8.939 -0.394 8.045
353 HZ3 TRP 52 3HZ TRP 52 9.656 3.258 5.957
354 HH2 TRP 52 HH TRP 52 9.643 1.960 8.025
355 H LYS 53 H LYS 53 6.230 -0.610 -0.211
356 HA LYS 53 HA LYS 53 7.517 0.945 -2.116
357 HB2 LYS 53 1HB LYS 53 5.000 -0.676 -2.539
358 HB3 LYS 53 2HB LYS 53 6.161 -0.205 -3.773
359 HG2 LYS 53 1HG LYS 53 7.795 -1.675 -2.954
360 HG3 LYS 53 2HG LYS 53 6.941 -1.904 -1.426
361 HD2 LYS 53 1HD LYS 53 6.401 -3.851 -2.525
362 HD3 LYS 53 2HD LYS 53 5.040 -2.823 -2.981
363 HE2 LYS 53 1HE LYS 53 5.667 -3.739 -5.010
364 HE3 LYS 53 2HE LYS 53 6.523 -2.198 -5.015
365 HZ1 LYS 53 1HZ LYS 53 8.343 -3.753 -3.875
366 HZ2 LYS 53 2HZ LYS 53 8.250 -3.518 -5.547
367 HZ3 LYS 53 3HZ LYS 53 7.574 -4.902 -4.849
368 H HIS 54 H HIS 54 4.323 1.287 -0.711
369 HA HIS 54 HA HIS 54 3.486 3.324 -2.562
370 HB2 HIS 54 1HB HIS 54 1.830 1.865 -1.512
371 HB3 HIS 54 2HB HIS 54 2.303 2.447 0.081
372 HD1 HIS 54 1HD HIS 54 0.752 3.762 -3.122
373 HD2 HIS 54 2HD HIS 54 0.917 4.627 0.938
374 HE1 HIS 54 1HE HIS 54 -0.872 5.649 -2.770
375 H LEU 55 H LEU 55 4.822 3.212 0.694
376 HA LEU 55 HA LEU 55 4.467 5.935 1.332
377 HB2 LEU 55 1HB LEU 55 6.486 3.917 2.296
378 HB3 LEU 55 2HB LEU 55 6.298 5.528 2.987
379 HG LEU 55 HG LEU 55 4.035 3.551 2.915
380 HD11 LEU 55 1HD1 LEU 55 5.667 2.369 4.120
381 HD12 LEU 55 2HD1 LEU 55 4.674 3.160 5.344
382 HD13 LEU 55 3HD1 LEU 55 6.251 3.826 4.923
383 HD21 LEU 55 1HD2 LEU 55 4.445 5.651 4.983
384 HD22 LEU 55 2HD2 LEU 55 2.948 4.979 4.335
385 HD23 LEU 55 3HD2 LEU 55 3.880 6.137 3.384
386 H LYS 56 H LYS 56 7.289 4.190 0.041
387 HA LYS 56 HA LYS 56 8.823 6.582 -0.310
388 HB2 LYS 56 1HB LYS 56 9.333 3.927 -1.645
389 HB3 LYS 56 2HB LYS 56 10.500 5.185 -1.257
390 HG2 LYS 56 1HG LYS 56 10.748 4.484 0.861
391 HG3 LYS 56 2HG LYS 56 9.038 4.087 1.042
392 HD2 LYS 56 1HD LYS 56 9.315 1.953 0.300
393 HD3 LYS 56 2HD LYS 56 10.637 2.387 -0.786
394 HE2 LYS 56 1HE LYS 56 11.230 0.957 1.230
395 HE3 LYS 56 2HE LYS 56 12.209 2.398 0.962
396 HZ1 LYS 56 1HZ LYS 56 11.704 3.035 3.005
397 HZ2 LYS 56 2HZ LYS 56 10.678 1.708 3.222
398 HZ3 LYS 56 3HZ LYS 56 10.072 3.148 2.572
399 H SER 57 H SER 57 6.282 5.208 -2.015
400 HA SER 57 HA SER 57 7.133 6.062 -4.646
401 HB2 SER 57 1HB SER 57 4.837 4.567 -3.517
402 HB3 SER 57 2HB SER 57 4.507 5.506 -4.972
403 HG SER 57 HG SER 57 6.801 3.911 -4.920
404 H MET 58 H MET 58 4.852 7.110 -2.158
405 HA MET 58 HA MET 58 4.579 9.663 -3.601
406 HB2 MET 58 1HB MET 58 2.306 9.860 -2.693
407 HB3 MET 58 2HB MET 58 2.477 8.427 -3.699
408 HG2 MET 58 1HG MET 58 2.248 6.993 -1.945
409 HG3 MET 58 2HG MET 58 2.904 8.139 -0.778
410 HE1 MET 58 1HE MET 58 -0.665 7.626 -2.977
411 HE2 MET 58 2HE MET 58 -1.020 9.327 -2.676
412 HE3 MET 58 3HE MET 58 0.485 8.868 -3.474
413 H HIS 59 H HIS 59 4.814 8.024 -0.503
414 HA HIS 59 HA HIS 59 5.016 10.569 0.911
415 HB2 HIS 59 1HB HIS 59 5.077 7.739 1.981
416 HB3 HIS 59 2HB HIS 59 5.018 9.206 2.953
417 HD1 HIS 59 1HD HIS 59 2.777 10.760 2.301
418 HD2 HIS 59 2HD HIS 59 2.633 6.668 1.598
419 HE1 HIS 59 1HE HIS 59 0.333 10.192 2.136
420 H ARG 60 H ARG 60 7.078 9.569 -0.993
421 HA ARG 60 HA ARG 60 9.344 8.558 0.194
422 HB2 ARG 60 1HB ARG 60 9.397 8.837 -2.143
423 HB3 ARG 60 2HB ARG 60 8.977 10.541 -2.035
424 HG2 ARG 60 1HG ARG 60 11.194 10.953 -0.981
425 HG3 ARG 60 2HG ARG 60 11.601 9.266 -1.302
426 HD2 ARG 60 1HD ARG 60 12.488 10.751 -3.033
427 HD3 ARG 60 2HD ARG 60 11.296 9.630 -3.689
428 HE ARG 60 HE ARG 60 11.051 12.508 -3.461
429 HH11 ARG 60 2HH1 ARG 60 9.442 9.467 -3.999
430 HH12 ARG 60 1HH1 ARG 60 8.079 10.181 -4.796
431 HH21 ARG 60 2HH2 ARG 60 9.261 13.459 -4.508
432 HH22 ARG 60 1HH2 ARG 60 7.977 12.451 -5.085
433 H GLU 61 H GLU 61 8.104 11.848 0.285
434 HA GLU 61 HA GLU 61 10.411 12.969 1.541
435 HB2 GLU 61 1HB GLU 61 7.573 13.982 1.313
436 HB3 GLU 61 2HB GLU 61 8.907 14.917 1.974
437 HG2 GLU 61 1HG GLU 61 9.940 15.147 -0.080
438 HG3 GLU 61 2HG GLU 61 9.103 13.758 -0.770
439 H GLU 62 H GLU 62 7.244 11.870 2.698
440 HA GLU 62 HA GLU 62 7.443 12.615 5.357
441 HB2 GLU 62 1HB GLU 62 5.493 11.498 4.059
442 HB3 GLU 62 2HB GLU 62 6.230 9.985 4.564
443 HG2 GLU 62 1HG GLU 62 5.237 12.172 6.376
444 HG3 GLU 62 2HG GLU 62 4.454 10.622 6.076
445 H LEU 63 H LEU 63 8.604 9.655 3.787
446 HA LEU 63 HA LEU 63 9.568 8.413 6.130
447 HB2 LEU 63 1HB LEU 63 10.498 8.077 3.282
448 HB3 LEU 63 2HB LEU 63 10.843 6.977 4.616
449 HG LEU 63 HG LEU 63 8.107 7.533 3.469
450 HD11 LEU 63 1HD1 LEU 63 8.624 6.055 1.900
451 HD12 LEU 63 2HD1 LEU 63 8.838 4.843 3.162
452 HD13 LEU 63 3HD1 LEU 63 10.217 5.794 2.610
453 HD21 LEU 63 1HD2 LEU 63 8.029 6.976 5.837
454 HD22 LEU 63 2HD2 LEU 63 9.028 5.551 5.550
455 HD23 LEU 63 3HD2 LEU 63 7.406 5.644 4.863
456 H GLU 64 H GLU 64 11.395 10.040 3.529
457 HA GLU 64 HA GLU 64 13.900 10.012 4.598
458 HB2 GLU 64 1HB GLU 64 12.483 12.110 2.977
459 HB3 GLU 64 2HB GLU 64 14.155 12.328 3.475
460 HG2 GLU 64 1HG GLU 64 14.604 10.070 2.394
461 HG3 GLU 64 2HG GLU 64 13.010 10.236 1.659
462 H LYS 65 H LYS 65 11.302 12.285 5.372
463 HA LYS 65 HA LYS 65 12.820 13.920 7.110
464 HB2 LYS 65 1HB LYS 65 9.929 13.517 6.536
465 HB3 LYS 65 2HB LYS 65 10.347 14.311 8.048
466 HG2 LYS 65 1HG LYS 65 11.560 16.027 6.854
467 HG3 LYS 65 2HG LYS 65 11.261 15.205 5.321
468 HD2 LYS 65 1HD LYS 65 9.013 16.098 7.102
469 HD3 LYS 65 2HD LYS 65 9.753 17.185 5.924
470 HE2 LYS 65 1HE LYS 65 9.135 15.763 4.113
471 HE3 LYS 65 2HE LYS 65 8.633 14.481 5.215
472 HZ1 LYS 65 1HZ LYS 65 6.622 15.366 5.359
473 HZ2 LYS 65 2HZ LYS 65 7.047 16.462 4.143
474 HZ3 LYS 65 3HZ LYS 65 7.238 16.887 5.770
475 H SER 66 H SER 66 10.600 11.213 7.735
476 HA SER 66 HA SER 66 11.494 11.158 10.525
477 HB2 SER 66 1HB SER 66 9.201 9.741 9.148
478 HB3 SER 66 2HB SER 66 9.600 9.575 10.857
479 HG SER 66 HG SER 66 9.223 11.818 11.083
480 H GLY 67 H GLY 67 13.599 10.313 9.945
481 HA2 GLY 67 1HA GLY 67 15.093 8.636 9.325
482 HA3 GLY 67 2HA GLY 67 14.138 7.764 10.515
483 H HIS 68 H HIS 68 13.356 5.887 9.851
484 HA HIS 68 HA HIS 68 12.937 4.132 8.431
485 HB2 HIS 68 1HB HIS 68 11.225 6.332 7.261
486 HB3 HIS 68 2HB HIS 68 11.060 4.629 6.845
487 HD1 HIS 68 1HD HIS 68 8.769 4.254 7.839
488 HD2 HIS 68 2HD HIS 68 11.468 5.868 10.554
489 HE1 HIS 68 1HE HIS 68 7.621 4.143 10.074
490 H GLY 69 H GLY 69 15.342 5.374 7.745
491 HA2 GLY 69 1HA GLY 69 15.315 5.675 4.839
492 HA3 GLY 69 2HA GLY 69 16.678 5.986 5.903
493 H GLN 70 H GLN 70 15.419 3.896 3.642
494 HA GLN 70 HA GLN 70 16.028 1.850 2.856
495 HB2 GLN 70 1HB GLN 70 18.519 2.420 4.472
496 HB3 GLN 70 2HB GLN 70 18.365 1.141 3.275
497 HG2 GLN 70 1HG GLN 70 17.756 3.920 2.434
498 HG3 GLN 70 2HG GLN 70 19.441 3.475 2.695
499 HE21 GLN 70 1HE2 GLN 70 19.789 3.824 0.455
500 HE22 GLN 70 2HE2 GLN 70 19.330 2.630 -0.706
501 H SER 71 H SER 71 14.315 1.733 4.977
502 HA SER 71 HA SER 71 15.322 -0.143 6.939
503 HB2 SER 71 1HB SER 71 13.710 1.567 7.633
504 HB3 SER 71 2HB SER 71 12.527 0.934 6.489
505 HG SER 71 HG SER 71 12.202 -0.784 7.742
506 H GLY 72 H GLY 72 13.016 -0.161 4.242
507 HA2 GLY 72 1HA GLY 72 12.245 -2.874 4.543
508 HA3 GLY 72 2HA GLY 72 12.025 -1.893 3.102
509 HA PRO 73 HA PRO 73 15.250 -3.954 0.970
510 HB2 PRO 73 1HB PRO 73 16.815 -1.982 -0.047
511 HB3 PRO 73 2HB PRO 73 15.189 -2.326 -0.651
512 HG2 PRO 73 1HG PRO 73 16.091 -0.206 1.261
513 HG3 PRO 73 2HG PRO 73 14.947 -0.082 -0.088
514 HD2 PRO 73 1HD PRO 73 14.144 -0.311 2.487
515 HD3 PRO 73 2HD PRO 73 13.215 -0.987 1.134
516 H SER 74 H SER 74 16.008 -2.137 3.701
517 HA SER 74 HA SER 74 17.804 -2.009 5.103
518 HB2 SER 74 1HB SER 74 18.330 -4.774 3.984
519 HB3 SER 74 2HB SER 74 18.977 -4.130 5.493
520 HG SER 74 HG SER 74 16.277 -4.701 4.854
521 H SER 75 H SER 75 18.250 -0.749 2.658
522 HA SER 75 HA SER 75 19.866 -0.127 1.137
523 HB2 SER 75 1HB SER 75 20.449 1.030 3.267
524 HB3 SER 75 2HB SER 75 21.552 -0.294 3.647
525 HG SER 75 HG SER 75 22.767 1.266 2.674
526 H GLY 76 H GLY 76 19.505 -2.835 0.884
527 HA2 GLY 76 1HA GLY 76 20.568 -4.853 0.418
528 HA3 GLY 76 2HA GLY 76 21.505 -3.781 -0.612
Start of MODEL 18
1 H1 GLY 1 H GLY 1 5.445 -17.889 12.434
2 HA2 GLY 1 1HA GLY 1 6.603 -20.033 14.068
3 HA3 GLY 1 2HA GLY 1 6.056 -20.186 12.405
4 H SER 2 H SER 2 7.646 -20.484 11.010
5 HA SER 2 HA SER 2 10.348 -19.635 11.714
6 HB2 SER 2 1HB SER 2 9.267 -21.474 9.574
7 HB3 SER 2 2HB SER 2 10.963 -21.000 9.660
8 HG SER 2 HG SER 2 9.599 -22.152 11.854
9 H SER 3 H SER 3 10.831 -17.610 11.165
10 HA SER 3 HA SER 3 10.731 -16.812 8.408
11 HB2 SER 3 1HB SER 3 8.418 -16.286 9.574
12 HB3 SER 3 2HB SER 3 9.308 -14.911 10.227
13 HG SER 3 HG SER 3 8.718 -14.071 8.370
14 H GLY 4 H GLY 4 11.882 -14.819 8.007
15 HA2 GLY 4 1HA GLY 4 13.915 -14.351 10.065
16 HA3 GLY 4 2HA GLY 4 14.046 -13.921 8.366
17 H SER 5 H SER 5 14.627 -12.221 10.591
18 HA SER 5 HA SER 5 12.810 -10.472 11.514
19 HB2 SER 5 1HB SER 5 14.513 -8.732 11.467
20 HB3 SER 5 2HB SER 5 15.261 -10.278 11.867
21 HG SER 5 HG SER 5 16.406 -9.035 10.261
22 H SER 6 H SER 6 11.519 -8.852 10.801
23 HA SER 6 HA SER 6 11.679 -8.065 7.981
24 HB2 SER 6 1HB SER 6 9.958 -9.909 8.335
25 HB3 SER 6 2HB SER 6 9.043 -8.743 9.290
26 HG SER 6 HG SER 6 9.282 -8.966 6.590
27 H GLY 7 H GLY 7 10.471 -6.085 7.499
28 HA2 GLY 7 1HA GLY 7 10.508 -4.286 9.827
29 HA3 GLY 7 2HA GLY 7 10.680 -3.789 8.150
30 H SER 8 H SER 8 8.384 -5.049 10.522
31 HA SER 8 HA SER 8 6.131 -4.355 8.823
32 HB2 SER 8 1HB SER 8 6.353 -5.650 11.541
33 HB3 SER 8 2HB SER 8 4.802 -5.201 10.832
34 HG SER 8 HG SER 8 5.962 -6.491 8.942
35 H GLU 9 H GLU 9 7.671 -2.140 9.466
36 HA GLU 9 HA GLU 9 6.269 -0.752 11.619
37 HB2 GLU 9 1HB GLU 9 8.794 -0.645 11.295
38 HB3 GLU 9 2HB GLU 9 8.473 0.355 9.884
39 HG2 GLU 9 1HG GLU 9 8.859 1.924 11.517
40 HG3 GLU 9 2HG GLU 9 7.100 1.806 11.527
41 H ALA 10 H ALA 10 6.416 -0.911 8.162
42 HA ALA 10 HA ALA 10 5.379 1.579 7.455
43 HB1 ALA 10 1HB ALA 10 4.580 0.438 5.395
44 HB2 ALA 10 2HB ALA 10 6.270 0.111 5.780
45 HB3 ALA 10 3HB ALA 10 5.037 -1.103 6.122
46 H TRP 11 H TRP 11 3.841 -1.181 8.879
47 HA TRP 11 HA TRP 11 1.193 -0.831 8.164
48 HB2 TRP 11 1HB TRP 11 2.556 -1.935 10.583
49 HB3 TRP 11 2HB TRP 11 0.812 -1.691 10.637
50 HD1 TRP 11 HD TRP 11 3.171 -4.313 9.909
51 HE1 TRP 11 1HE TRP 11 2.150 -6.139 8.410
52 HE3 TRP 11 3HE TRP 11 -0.955 -1.789 8.250
53 HZ2 TRP 11 2HZ TRP 11 -0.104 -6.466 6.743
54 HZ3 TRP 11 3HZ TRP 11 -2.492 -2.930 6.705
55 HH2 TRP 11 HH TRP 11 -2.074 -5.220 5.968
56 H GLU 12 H GLU 12 3.140 0.988 10.426
57 HA GLU 12 HA GLU 12 1.152 2.292 11.874
58 HB2 GLU 12 1HB GLU 12 3.829 3.388 10.996
59 HB3 GLU 12 2HB GLU 12 2.828 4.045 12.283
60 HG2 GLU 12 1HG GLU 12 3.852 1.226 12.328
61 HG3 GLU 12 2HG GLU 12 4.777 2.583 12.970
62 H TYR 13 H TYR 13 1.950 2.550 8.576
63 HA TYR 13 HA TYR 13 0.517 5.110 8.344
64 HB2 TYR 13 1HB TYR 13 2.227 3.800 6.228
65 HB3 TYR 13 2HB TYR 13 1.618 5.451 6.244
66 HD1 TYR 13 2HD TYR 13 4.127 3.156 7.612
67 HD2 TYR 13 1HD TYR 13 2.682 7.158 7.597
68 HE1 TYR 13 2HE TYR 13 6.201 3.903 8.702
69 HE2 TYR 13 1HE TYR 13 4.752 7.916 8.686
70 HH TYR 13 HH TYR 13 6.943 7.285 9.118
71 H PHE 14 H PHE 14 -0.504 2.244 8.574
72 HA PHE 14 HA PHE 14 -2.529 2.517 6.517
73 HB2 PHE 14 1HB PHE 14 -0.757 0.073 6.694
74 HB3 PHE 14 2HB PHE 14 -2.256 0.145 5.775
75 HD1 PHE 14 1HD PHE 14 1.215 1.288 5.966
76 HD2 PHE 14 2HD PHE 14 -2.390 1.361 3.703
77 HE1 PHE 14 1HE PHE 14 2.450 2.177 4.033
78 HE2 PHE 14 2HE PHE 14 -1.160 2.249 1.766
79 HZ PHE 14 HZ PHE 14 1.264 2.657 1.929
80 H HIS 15 H HIS 15 -4.394 1.185 6.895
81 HA HIS 15 HA HIS 15 -4.504 -0.194 9.469
82 HB2 HIS 15 1HB HIS 15 -6.101 1.133 10.431
83 HB3 HIS 15 2HB HIS 15 -5.280 2.357 9.468
84 HD1 HIS 15 1HD HIS 15 -8.162 -0.073 8.884
85 HD2 HIS 15 2HD HIS 15 -7.056 3.856 8.110
86 HE1 HIS 15 1HE HIS 15 -10.113 0.948 7.670
87 H LEU 16 H LEU 16 -5.604 -2.041 9.326
88 HA LEU 16 HA LEU 16 -6.733 -2.888 6.868
89 HB2 LEU 16 1HB LEU 16 -6.891 -4.083 9.630
90 HB3 LEU 16 2HB LEU 16 -7.451 -4.883 8.163
91 HG LEU 16 HG LEU 16 -4.592 -4.046 8.625
92 HD11 LEU 16 1HD1 LEU 16 -5.595 -6.859 8.823
93 HD12 LEU 16 2HD1 LEU 16 -5.589 -5.799 10.232
94 HD13 LEU 16 3HD1 LEU 16 -4.078 -6.171 9.401
95 HD21 LEU 16 1HD2 LEU 16 -5.805 -4.603 6.286
96 HD22 LEU 16 2HD2 LEU 16 -5.326 -6.227 6.783
97 HD23 LEU 16 3HD2 LEU 16 -4.110 -4.959 6.620
98 H ALA 17 H ALA 17 -8.827 -3.090 6.210
99 HA ALA 17 HA ALA 17 -10.798 -1.548 7.707
100 HB1 ALA 17 1HB ALA 17 -12.172 -1.855 5.615
101 HB2 ALA 17 2HB ALA 17 -10.671 -0.949 5.420
102 HB3 ALA 17 3HB ALA 17 -10.759 -2.632 4.901
103 HA PRO 18 HA PRO 18 -13.003 -5.015 9.264
104 HB2 PRO 18 1HB PRO 18 -15.518 -3.996 9.348
105 HB3 PRO 18 2HB PRO 18 -14.246 -3.511 10.476
106 HG2 PRO 18 1HG PRO 18 -15.218 -2.125 8.007
107 HG3 PRO 18 2HG PRO 18 -14.816 -1.437 9.592
108 HD2 PRO 18 1HD PRO 18 -13.121 -1.326 7.483
109 HD3 PRO 18 2HD PRO 18 -12.552 -1.444 9.160
110 H ALA 19 H ALA 19 -14.268 -6.739 8.616
111 HA ALA 19 HA ALA 19 -15.263 -6.624 5.844
112 HB1 ALA 19 1HB ALA 19 -14.634 -9.242 7.085
113 HB2 ALA 19 2HB ALA 19 -14.442 -8.700 5.417
114 HB3 ALA 19 3HB ALA 19 -13.280 -8.201 6.645
115 H ARG 20 H ARG 20 -17.374 -6.044 6.300
116 HA ARG 20 HA ARG 20 -18.911 -7.832 8.049
117 HB2 ARG 20 1HB ARG 20 -19.438 -5.052 7.011
118 HB3 ARG 20 2HB ARG 20 -20.693 -6.022 7.771
119 HG2 ARG 20 1HG ARG 20 -19.281 -6.184 9.797
120 HG3 ARG 20 2HG ARG 20 -18.119 -5.100 9.029
121 HD2 ARG 20 1HD ARG 20 -19.594 -3.884 10.546
122 HD3 ARG 20 2HD ARG 20 -19.828 -3.366 8.877
123 HE ARG 20 HE ARG 20 -21.730 -4.757 10.556
124 HH11 ARG 20 2HH1 ARG 20 -20.836 -3.806 7.328
125 HH12 ARG 20 1HH1 ARG 20 -22.441 -3.965 6.697
126 HH21 ARG 20 2HH2 ARG 20 -23.847 -4.970 9.736
127 HH22 ARG 20 1HH2 ARG 20 -24.154 -4.626 8.067
128 H ALA 21 H ALA 21 -18.973 -6.351 4.826
129 HA ALA 21 HA ALA 21 -20.622 -8.604 3.911
130 HB1 ALA 21 1HB ALA 21 -22.209 -7.303 2.903
131 HB2 ALA 21 2HB ALA 21 -21.825 -6.291 4.296
132 HB3 ALA 21 3HB ALA 21 -21.123 -5.925 2.720
133 H GLY 22 H GLY 22 -18.511 -9.389 3.196
134 HA2 GLY 22 1HA GLY 22 -18.078 -8.997 0.464
135 HA3 GLY 22 2HA GLY 22 -16.916 -8.000 1.326
136 H HIS 23 H HIS 23 -15.113 -9.144 0.687
137 HA HIS 23 HA HIS 23 -14.957 -11.997 1.064
138 HB2 HIS 23 1HB HIS 23 -12.912 -9.930 0.244
139 HB3 HIS 23 2HB HIS 23 -12.549 -11.647 0.386
140 HD1 HIS 23 1HD HIS 23 -13.138 -13.108 -1.569
141 HD2 HIS 23 2HD HIS 23 -14.808 -9.314 -1.848
142 HE1 HIS 23 1HE HIS 23 -14.124 -12.975 -3.879
143 H HIS 24 H HIS 24 -12.832 -12.789 2.191
144 HA HIS 24 HA HIS 24 -13.113 -12.502 4.915
145 HB2 HIS 24 1HB HIS 24 -11.263 -13.857 5.129
146 HB3 HIS 24 2HB HIS 24 -11.682 -14.167 3.447
147 HD1 HIS 24 1HD HIS 24 -8.987 -12.910 5.590
148 HD2 HIS 24 2HD HIS 24 -9.990 -12.773 1.561
149 HE1 HIS 24 1HE HIS 24 -6.889 -12.200 4.399
150 HA PRO 25 HA PRO 25 -11.308 -8.675 6.082
151 HB2 PRO 25 1HB PRO 25 -10.290 -9.303 8.519
152 HB3 PRO 25 2HB PRO 25 -12.023 -9.130 8.218
153 HG2 PRO 25 1HG PRO 25 -10.368 -11.619 8.383
154 HG3 PRO 25 2HG PRO 25 -11.973 -11.295 9.065
155 HD2 PRO 25 1HD PRO 25 -11.618 -12.702 6.778
156 HD3 PRO 25 2HD PRO 25 -13.041 -11.678 7.058
157 H ASN 26 H ASN 26 -9.240 -7.672 6.850
158 HA ASN 26 HA ASN 26 -7.018 -7.276 6.577
159 HB2 ASN 26 1HB ASN 26 -6.906 -10.276 6.938
160 HB3 ASN 26 2HB ASN 26 -5.478 -9.247 6.866
161 HD21 ASN 26 1HD2 ASN 26 -4.761 -9.538 8.908
162 HD22 ASN 26 2HD2 ASN 26 -5.628 -9.042 10.318
163 H GLN 27 H GLN 27 -8.604 -7.508 4.249
164 HA GLN 27 HA GLN 27 -6.963 -8.946 2.315
165 HB2 GLN 27 1HB GLN 27 -8.713 -8.317 0.695
166 HB3 GLN 27 2HB GLN 27 -9.370 -9.165 2.088
167 HG2 GLN 27 1HG GLN 27 -9.985 -6.950 3.053
168 HG3 GLN 27 2HG GLN 27 -9.489 -6.213 1.530
169 HE21 GLN 27 1HE2 GLN 27 -10.542 -7.192 -0.437
170 HE22 GLN 27 2HE2 GLN 27 -12.227 -7.553 -0.317
171 H TYR 28 H TYR 28 -8.175 -5.637 2.823
172 HA TYR 28 HA TYR 28 -5.891 -4.664 1.233
173 HB2 TYR 28 1HB TYR 28 -8.743 -3.756 1.351
174 HB3 TYR 28 2HB TYR 28 -7.480 -2.592 0.966
175 HD1 TYR 28 2HD TYR 28 -8.221 -6.126 -0.027
176 HD2 TYR 28 1HD TYR 28 -7.327 -2.162 -1.287
177 HE1 TYR 28 2HE TYR 28 -8.259 -6.869 -2.371
178 HE2 TYR 28 1HE TYR 28 -7.364 -2.894 -3.635
179 HH TYR 28 HH TYR 28 -8.181 -6.233 -4.506
180 H ALA 29 H ALA 29 -4.913 -2.692 1.900
181 HA ALA 29 HA ALA 29 -5.308 -2.115 4.763
182 HB1 ALA 29 1HB ALA 29 -3.121 -3.115 4.174
183 HB2 ALA 29 2HB ALA 29 -2.794 -1.719 3.146
184 HB3 ALA 29 3HB ALA 29 -2.981 -1.508 4.887
185 H THR 30 H THR 30 -5.993 -0.152 5.301
186 HA THR 30 HA THR 30 -6.203 1.889 3.231
187 HB THR 30 HB THR 30 -7.274 1.967 6.057
188 HG1 THR 30 1HG THR 30 -8.197 0.251 4.835
189 HG21 THR 30 1HG2 THR 30 -8.265 3.935 5.549
190 HG22 THR 30 2HG2 THR 30 -8.569 3.469 3.876
191 HG23 THR 30 3HG2 THR 30 -6.974 4.048 4.354
192 H CYS 31 H CYS 31 -4.468 3.142 2.974
193 HA CYS 31 HA CYS 31 -2.419 3.573 4.792
194 HB2 CYS 31 1HB CYS 31 -2.388 4.090 2.326
195 HB3 CYS 31 2HB CYS 31 -3.305 5.550 2.685
196 H ARG 32 H ARG 32 -2.068 4.946 6.447
197 HA ARG 32 HA ARG 32 -4.338 6.523 7.372
198 HB2 ARG 32 1HB ARG 32 -1.712 5.902 8.737
199 HB3 ARG 32 2HB ARG 32 -3.091 6.704 9.477
200 HG2 ARG 32 1HG ARG 32 -4.429 4.686 9.194
201 HG3 ARG 32 2HG ARG 32 -3.056 3.880 8.430
202 HD2 ARG 32 1HD ARG 32 -1.759 4.216 10.512
203 HD3 ARG 32 2HD ARG 32 -3.197 4.908 11.262
204 HE ARG 32 HE ARG 32 -3.520 2.247 10.169
205 HH11 ARG 32 2HH1 ARG 32 -2.788 4.187 12.965
206 HH12 ARG 32 1HH1 ARG 32 -3.190 2.940 14.098
207 HH21 ARG 32 2HH2 ARG 32 -4.053 0.596 11.650
208 HH22 ARG 32 1HH2 ARG 32 -3.909 0.897 13.349
209 H LEU 33 H LEU 33 -1.765 7.046 5.414
210 HA LEU 33 HA LEU 33 -1.105 9.705 6.405
211 HB2 LEU 33 1HB LEU 33 -0.069 8.053 4.114
212 HB3 LEU 33 2HB LEU 33 0.431 9.719 4.403
213 HG LEU 33 HG LEU 33 0.820 7.475 6.380
214 HD11 LEU 33 1HD1 LEU 33 2.084 7.047 4.328
215 HD12 LEU 33 2HD1 LEU 33 3.146 7.452 5.676
216 HD13 LEU 33 3HD1 LEU 33 2.799 8.656 4.435
217 HD21 LEU 33 1HD2 LEU 33 2.465 9.930 6.386
218 HD22 LEU 33 2HD2 LEU 33 1.847 8.970 7.731
219 HD23 LEU 33 3HD2 LEU 33 0.785 10.105 6.896
220 H CYS 34 H CYS 34 -2.394 8.228 3.433
221 HA CYS 34 HA CYS 34 -3.600 10.836 2.772
222 HB2 CYS 34 1HB CYS 34 -3.500 10.185 0.421
223 HB3 CYS 34 2HB CYS 34 -1.896 10.116 1.144
224 H GLY 35 H GLY 35 -4.076 7.340 2.845
225 HA2 GLY 35 1HA GLY 35 -6.202 6.481 3.625
226 HA3 GLY 35 2HA GLY 35 -6.984 7.835 2.822
227 H ARG 36 H ARG 36 -4.417 6.095 1.251
228 HA ARG 36 HA ARG 36 -6.262 5.290 -0.841
229 HB2 ARG 36 1HB ARG 36 -3.280 5.406 -0.576
230 HB3 ARG 36 2HB ARG 36 -4.004 4.423 -1.841
231 HG2 ARG 36 1HG ARG 36 -4.913 7.236 -1.565
232 HG3 ARG 36 2HG ARG 36 -3.316 6.932 -2.252
233 HD2 ARG 36 1HD ARG 36 -4.692 6.952 -4.121
234 HD3 ARG 36 2HD ARG 36 -4.539 5.233 -3.760
235 HE ARG 36 HE ARG 36 -6.779 5.169 -3.300
236 HH11 ARG 36 2HH1 ARG 36 -5.714 8.483 -3.315
237 HH12 ARG 36 1HH1 ARG 36 -7.315 9.135 -3.188
238 HH21 ARG 36 2HH2 ARG 36 -8.891 6.014 -3.133
239 HH22 ARG 36 1HH2 ARG 36 -9.121 7.729 -3.083
240 H GLN 37 H GLN 37 -6.747 3.210 -1.416
241 HA GLN 37 HA GLN 37 -6.356 1.200 0.622
242 HB2 GLN 37 1HB GLN 37 -7.793 1.011 -2.031
243 HB3 GLN 37 2HB GLN 37 -7.873 -0.166 -0.726
244 HG2 GLN 37 1HG GLN 37 -8.739 2.691 -0.401
245 HG3 GLN 37 2HG GLN 37 -9.825 1.409 -0.934
246 HE21 GLN 37 1HE2 GLN 37 -9.330 3.167 1.597
247 HE22 GLN 37 2HE2 GLN 37 -9.540 2.033 2.883
248 H VAL 38 H VAL 38 -4.517 0.094 0.672
249 HA VAL 38 HA VAL 38 -3.344 -0.786 -1.886
250 HB VAL 38 HB VAL 38 -1.903 -0.181 0.700
251 HG11 VAL 38 1HG1 VAL 38 -1.165 -2.037 -1.145
252 HG12 VAL 38 2HG1 VAL 38 -0.349 -0.595 -1.753
253 HG13 VAL 38 3HG1 VAL 38 -0.047 -1.153 -0.107
254 HG21 VAL 38 1HG2 VAL 38 -2.461 1.374 -1.733
255 HG22 VAL 38 2HG2 VAL 38 -2.087 1.918 -0.098
256 HG23 VAL 38 3HG2 VAL 38 -0.787 1.416 -1.179
257 H SER 39 H SER 39 -3.749 -2.874 -2.183
258 HA SER 39 HA SER 39 -4.031 -4.651 0.113
259 HB2 SER 39 1HB SER 39 -4.792 -6.309 -1.600
260 HB3 SER 39 2HB SER 39 -5.760 -4.835 -1.567
261 HG SER 39 HG SER 39 -4.141 -5.839 -3.550
262 H ARG 40 H ARG 40 -2.730 -6.400 0.520
263 HA ARG 40 HA ARG 40 -0.060 -6.266 -0.565
264 HB2 ARG 40 1HB ARG 40 -1.135 -8.335 1.349
265 HB3 ARG 40 2HB ARG 40 0.538 -7.842 1.120
266 HG2 ARG 40 1HG ARG 40 0.303 -5.957 2.374
267 HG3 ARG 40 2HG ARG 40 -1.408 -5.776 1.981
268 HD2 ARG 40 1HD ARG 40 -1.495 -6.419 4.196
269 HD3 ARG 40 2HD ARG 40 -1.682 -7.961 3.362
270 HE ARG 40 HE ARG 40 1.046 -7.324 3.995
271 HH11 ARG 40 2HH1 ARG 40 -1.910 -8.729 5.183
272 HH12 ARG 40 1HH1 ARG 40 -1.117 -9.725 6.358
273 HH21 ARG 40 2HH2 ARG 40 2.101 -8.630 5.539
274 HH22 ARG 40 1HH2 ARG 40 1.164 -9.668 6.560
275 H GLY 41 H GLY 41 -2.740 -8.592 -0.583
276 HA2 GLY 41 1HA GLY 41 -3.243 -10.277 -2.064
277 HA3 GLY 41 2HA GLY 41 -2.053 -9.579 -3.154
278 HA PRO 42 HA PRO 42 -0.496 -13.724 -1.800
279 HB2 PRO 42 1HB PRO 42 0.265 -14.507 -4.286
280 HB3 PRO 42 2HB PRO 42 -1.375 -14.736 -3.666
281 HG2 PRO 42 1HG PRO 42 -0.316 -12.603 -5.481
282 HG3 PRO 42 2HG PRO 42 -1.835 -13.512 -5.589
283 HD2 PRO 42 1HD PRO 42 -1.712 -10.993 -4.604
284 HD3 PRO 42 2HD PRO 42 -2.884 -12.191 -4.018
285 H GLY 43 H GLY 43 0.803 -11.105 -3.714
286 HA2 GLY 43 1HA GLY 43 3.540 -12.057 -3.430
287 HA3 GLY 43 2HA GLY 43 3.022 -10.607 -4.277
288 H VAL 44 H VAL 44 2.341 -11.606 -0.944
289 HA VAL 44 HA VAL 44 3.293 -9.015 -0.014
290 HB VAL 44 HB VAL 44 1.134 -9.853 0.816
291 HG11 VAL 44 1HG1 VAL 44 2.000 -12.285 0.800
292 HG12 VAL 44 2HG1 VAL 44 2.595 -11.918 2.420
293 HG13 VAL 44 3HG1 VAL 44 0.872 -11.795 2.064
294 HG21 VAL 44 1HG2 VAL 44 1.420 -8.889 2.836
295 HG22 VAL 44 2HG2 VAL 44 2.762 -9.948 3.271
296 HG23 VAL 44 3HG2 VAL 44 3.040 -8.558 2.222
297 H ASN 45 H ASN 45 4.087 -12.427 0.242
298 HA ASN 45 HA ASN 45 5.765 -12.687 2.301
299 HB2 ASN 45 1HB ASN 45 6.255 -13.588 -0.541
300 HB3 ASN 45 2HB ASN 45 7.240 -14.117 0.820
301 HD21 ASN 45 1HD2 ASN 45 4.321 -14.516 -0.896
302 HD22 ASN 45 2HD2 ASN 45 3.650 -15.773 0.081
303 H VAL 46 H VAL 46 6.497 -10.885 -0.639
304 HA VAL 46 HA VAL 46 9.150 -10.379 -0.477
305 HB VAL 46 HB VAL 46 7.050 -8.271 -1.004
306 HG11 VAL 46 1HG1 VAL 46 9.993 -8.407 -1.608
307 HG12 VAL 46 2HG1 VAL 46 8.894 -7.317 -2.455
308 HG13 VAL 46 3HG1 VAL 46 9.117 -7.167 -0.711
309 HG21 VAL 46 1HG2 VAL 46 6.516 -9.771 -2.622
310 HG22 VAL 46 2HG2 VAL 46 7.869 -8.989 -3.440
311 HG23 VAL 46 3HG2 VAL 46 8.111 -10.524 -2.607
312 H GLY 47 H GLY 47 10.333 -9.999 1.285
313 HA2 GLY 47 1HA GLY 47 9.691 -9.130 3.739
314 HA3 GLY 47 2HA GLY 47 11.217 -8.690 2.988
315 H THR 48 H THR 48 10.119 -7.022 0.945
316 HA THR 48 HA THR 48 9.771 -4.619 2.500
317 HB THR 48 HB THR 48 9.842 -5.035 -0.494
318 HG1 THR 48 1HG THR 48 11.765 -4.368 1.467
319 HG21 THR 48 1HG2 THR 48 9.654 -2.547 1.184
320 HG22 THR 48 2HG2 THR 48 8.658 -3.026 -0.191
321 HG23 THR 48 3HG2 THR 48 10.329 -2.523 -0.444
322 H THR 49 H THR 49 7.698 -5.279 3.446
323 HA THR 49 HA THR 49 5.349 -5.924 2.386
324 HB THR 49 HB THR 49 4.463 -3.819 3.880
325 HG1 THR 49 1HG THR 49 6.173 -4.051 5.694
326 HG21 THR 49 1HG2 THR 49 5.295 -6.610 4.522
327 HG22 THR 49 2HG2 THR 49 3.688 -5.885 4.528
328 HG23 THR 49 3HG2 THR 49 4.814 -5.545 5.841
329 H ALA 50 H ALA 50 3.890 -5.204 0.948
330 HA ALA 50 HA ALA 50 4.478 -3.341 -0.990
331 HB1 ALA 50 1HB ALA 50 2.762 -4.847 -1.482
332 HB2 ALA 50 2HB ALA 50 1.858 -4.436 -0.024
333 HB3 ALA 50 3HB ALA 50 1.946 -3.288 -1.360
334 H LEU 51 H LEU 51 3.523 -2.765 2.226
335 HA LEU 51 HA LEU 51 2.155 -0.324 1.972
336 HB2 LEU 51 1HB LEU 51 3.965 -1.081 4.251
337 HB3 LEU 51 2HB LEU 51 2.572 -0.002 4.291
338 HG LEU 51 HG LEU 51 2.352 -2.955 3.741
339 HD11 LEU 51 1HD1 LEU 51 1.559 -3.079 6.117
340 HD12 LEU 51 2HD1 LEU 51 2.226 -1.464 6.352
341 HD13 LEU 51 3HD1 LEU 51 3.289 -2.802 5.917
342 HD21 LEU 51 1HD2 LEU 51 0.484 -1.574 2.981
343 HD22 LEU 51 2HD2 LEU 51 0.331 -0.884 4.597
344 HD23 LEU 51 3HD2 LEU 51 0.014 -2.600 4.336
345 H TRP 52 H TRP 52 5.603 -1.046 2.366
346 HA TRP 52 HA TRP 52 6.504 1.607 2.549
347 HB2 TRP 52 1HB TRP 52 7.884 -0.893 1.559
348 HB3 TRP 52 2HB TRP 52 8.707 0.648 1.786
349 HD1 TRP 52 HD TRP 52 7.528 -2.387 3.661
350 HE1 TRP 52 1HE TRP 52 8.153 -2.163 6.148
351 HE3 TRP 52 3HE TRP 52 8.965 2.519 3.698
352 HZ2 TRP 52 2HZ TRP 52 9.126 -0.170 7.894
353 HZ3 TRP 52 3HZ TRP 52 9.729 3.508 5.818
354 HH2 TRP 52 HH TRP 52 9.806 2.190 7.871
355 H LYS 53 H LYS 53 6.528 -0.570 -0.280
356 HA LYS 53 HA LYS 53 7.481 1.013 -2.234
357 HB2 LYS 53 1HB LYS 53 5.190 -0.925 -2.260
358 HB3 LYS 53 2HB LYS 53 5.628 -0.054 -3.724
359 HG2 LYS 53 1HG LYS 53 7.632 -1.148 -3.942
360 HG3 LYS 53 2HG LYS 53 7.748 -1.506 -2.217
361 HD2 LYS 53 1HD LYS 53 5.999 -3.173 -2.416
362 HD3 LYS 53 2HD LYS 53 5.773 -2.769 -4.119
363 HE2 LYS 53 1HE LYS 53 8.177 -3.417 -4.479
364 HE3 LYS 53 2HE LYS 53 8.184 -4.032 -2.827
365 HZ1 LYS 53 1HZ LYS 53 7.609 -5.558 -4.879
366 HZ2 LYS 53 2HZ LYS 53 6.054 -4.955 -4.601
367 HZ3 LYS 53 3HZ LYS 53 6.872 -5.782 -3.373
368 H HIS 54 H HIS 54 4.273 1.264 -0.797
369 HA HIS 54 HA HIS 54 3.403 3.333 -2.591
370 HB2 HIS 54 1HB HIS 54 1.738 1.879 -1.621
371 HB3 HIS 54 2HB HIS 54 2.258 2.298 0.008
372 HD1 HIS 54 1HD HIS 54 0.592 3.886 -3.001
373 HD2 HIS 54 2HD HIS 54 0.979 4.451 1.097
374 HE1 HIS 54 1HE HIS 54 -0.983 5.761 -2.429
375 H LEU 55 H LEU 55 4.676 3.185 0.699
376 HA LEU 55 HA LEU 55 4.303 5.898 1.352
377 HB2 LEU 55 1HB LEU 55 6.302 3.874 2.341
378 HB3 LEU 55 2HB LEU 55 6.104 5.480 3.041
379 HG LEU 55 HG LEU 55 3.811 3.548 2.899
380 HD11 LEU 55 1HD1 LEU 55 5.379 2.259 4.065
381 HD12 LEU 55 2HD1 LEU 55 4.435 3.057 5.323
382 HD13 LEU 55 3HD1 LEU 55 6.039 3.661 4.908
383 HD21 LEU 55 1HD2 LEU 55 4.186 5.448 5.122
384 HD22 LEU 55 2HD2 LEU 55 2.727 5.007 4.235
385 HD23 LEU 55 3HD2 LEU 55 3.866 6.162 3.541
386 H LYS 56 H LYS 56 7.150 4.177 0.088
387 HA LYS 56 HA LYS 56 8.687 6.578 -0.195
388 HB2 LYS 56 1HB LYS 56 9.224 3.930 -1.535
389 HB3 LYS 56 2HB LYS 56 10.383 5.193 -1.146
390 HG2 LYS 56 1HG LYS 56 10.495 4.607 1.059
391 HG3 LYS 56 2HG LYS 56 8.862 3.937 1.078
392 HD2 LYS 56 1HD LYS 56 10.036 1.989 1.129
393 HD3 LYS 56 2HD LYS 56 9.976 2.217 -0.620
394 HE2 LYS 56 1HE LYS 56 12.225 3.454 0.878
395 HE3 LYS 56 2HE LYS 56 12.243 1.705 0.653
396 HZ1 LYS 56 1HZ LYS 56 12.000 2.083 -1.746
397 HZ2 LYS 56 2HZ LYS 56 13.418 2.773 -1.134
398 HZ3 LYS 56 3HZ LYS 56 12.087 3.753 -1.492
399 H SER 57 H SER 57 6.164 5.269 -1.947
400 HA SER 57 HA SER 57 7.071 6.126 -4.561
401 HB2 SER 57 1HB SER 57 5.706 4.211 -4.664
402 HB3 SER 57 2HB SER 57 4.536 4.875 -3.523
403 HG SER 57 HG SER 57 3.625 6.007 -5.086
404 H MET 58 H MET 58 4.739 7.168 -2.114
405 HA MET 58 HA MET 58 4.537 9.746 -3.527
406 HB2 MET 58 1HB MET 58 2.252 9.955 -2.888
407 HB3 MET 58 2HB MET 58 2.439 8.352 -3.588
408 HG2 MET 58 1HG MET 58 2.118 7.288 -1.595
409 HG3 MET 58 2HG MET 58 2.713 8.648 -0.647
410 HE1 MET 58 1HE MET 58 0.393 9.354 -3.525
411 HE2 MET 58 2HE MET 58 -0.360 7.801 -3.160
412 HE3 MET 58 3HE MET 58 -1.239 9.301 -2.859
413 H HIS 59 H HIS 59 4.816 8.052 -0.485
414 HA HIS 59 HA HIS 59 4.973 10.582 0.980
415 HB2 HIS 59 1HB HIS 59 4.918 7.732 1.992
416 HB3 HIS 59 2HB HIS 59 4.937 9.171 3.007
417 HD1 HIS 59 1HD HIS 59 2.777 10.837 2.501
418 HD2 HIS 59 2HD HIS 59 2.425 6.824 1.484
419 HE1 HIS 59 1HE HIS 59 0.308 10.410 2.297
420 H ARG 60 H ARG 60 7.057 9.627 -0.887
421 HA ARG 60 HA ARG 60 9.278 8.565 0.412
422 HB2 ARG 60 1HB ARG 60 9.219 8.757 -1.995
423 HB3 ARG 60 2HB ARG 60 9.127 10.511 -1.894
424 HG2 ARG 60 1HG ARG 60 11.403 10.259 -0.633
425 HG3 ARG 60 2HG ARG 60 11.455 8.706 -1.469
426 HD2 ARG 60 1HD ARG 60 10.868 11.244 -2.951
427 HD3 ARG 60 2HD ARG 60 12.527 10.761 -2.599
428 HE ARG 60 HE ARG 60 10.944 8.712 -3.859
429 HH11 ARG 60 2HH1 ARG 60 13.025 11.458 -4.359
430 HH12 ARG 60 1HH1 ARG 60 13.500 10.972 -5.952
431 HH21 ARG 60 2HH2 ARG 60 11.562 8.062 -5.956
432 HH22 ARG 60 1HH2 ARG 60 12.667 9.041 -6.861
433 H GLU 61 H GLU 61 8.068 11.859 0.291
434 HA GLU 61 HA GLU 61 10.376 13.047 1.480
435 HB2 GLU 61 1HB GLU 61 7.613 13.944 0.810
436 HB3 GLU 61 2HB GLU 61 8.529 14.892 1.972
437 HG2 GLU 61 1HG GLU 61 10.391 14.802 0.151
438 HG3 GLU 61 2HG GLU 61 9.044 14.437 -0.926
439 H GLU 62 H GLU 62 7.361 11.713 2.684
440 HA GLU 62 HA GLU 62 7.568 12.699 5.329
441 HB2 GLU 62 1HB GLU 62 5.436 11.941 4.601
442 HB3 GLU 62 2HB GLU 62 6.076 10.375 4.124
443 HG2 GLU 62 1HG GLU 62 5.017 9.857 6.085
444 HG3 GLU 62 2HG GLU 62 6.663 10.147 6.646
445 H LEU 63 H LEU 63 8.525 9.626 3.836
446 HA LEU 63 HA LEU 63 9.467 8.395 6.184
447 HB2 LEU 63 1HB LEU 63 10.465 7.945 3.378
448 HB3 LEU 63 2HB LEU 63 10.575 6.827 4.736
449 HG LEU 63 HG LEU 63 8.004 7.693 3.414
450 HD11 LEU 63 1HD1 LEU 63 8.627 4.913 3.142
451 HD12 LEU 63 2HD1 LEU 63 9.949 5.885 2.498
452 HD13 LEU 63 3HD1 LEU 63 8.309 6.114 1.890
453 HD21 LEU 63 1HD2 LEU 63 8.109 6.938 5.904
454 HD22 LEU 63 2HD2 LEU 63 8.336 5.331 5.214
455 HD23 LEU 63 3HD2 LEU 63 6.885 6.258 4.831
456 H GLU 64 H GLU 64 11.327 9.939 3.556
457 HA GLU 64 HA GLU 64 13.837 9.805 4.673
458 HB2 GLU 64 1HB GLU 64 14.428 11.729 3.280
459 HB3 GLU 64 2HB GLU 64 13.426 10.589 2.393
460 HG2 GLU 64 1HG GLU 64 11.469 12.011 2.805
461 HG3 GLU 64 2HG GLU 64 12.504 13.166 3.643
462 H LYS 65 H LYS 65 11.391 12.333 5.138
463 HA LYS 65 HA LYS 65 12.834 14.097 6.703
464 HB2 LYS 65 1HB LYS 65 10.572 14.552 5.853
465 HB3 LYS 65 2HB LYS 65 9.911 13.370 6.974
466 HG2 LYS 65 1HG LYS 65 9.507 15.326 8.093
467 HG3 LYS 65 2HG LYS 65 11.064 14.858 8.779
468 HD2 LYS 65 1HD LYS 65 11.329 17.123 8.275
469 HD3 LYS 65 2HD LYS 65 12.092 16.296 6.915
470 HE2 LYS 65 1HE LYS 65 10.064 16.597 5.590
471 HE3 LYS 65 2HE LYS 65 9.282 17.396 6.952
472 HZ1 LYS 65 1HZ LYS 65 10.076 19.065 5.488
473 HZ2 LYS 65 2HZ LYS 65 11.614 18.368 5.399
474 HZ3 LYS 65 3HZ LYS 65 11.092 19.081 6.841
475 H SER 66 H SER 66 10.841 11.357 7.804
476 HA SER 66 HA SER 66 11.553 11.671 10.543
477 HB2 SER 66 1HB SER 66 10.161 9.539 8.953
478 HB3 SER 66 2HB SER 66 10.639 9.222 10.620
479 HG SER 66 HG SER 66 9.195 11.546 9.946
480 H GLY 67 H GLY 67 12.342 9.394 11.602
481 HA2 GLY 67 1HA GLY 67 15.094 9.183 10.722
482 HA3 GLY 67 2HA GLY 67 14.398 8.456 12.163
483 H HIS 68 H HIS 68 13.427 8.147 8.762
484 HA HIS 68 HA HIS 68 13.685 5.236 9.050
485 HB2 HIS 68 1HB HIS 68 12.004 6.974 7.257
486 HB3 HIS 68 2HB HIS 68 12.263 5.269 6.900
487 HD1 HIS 68 1HD HIS 68 9.729 4.807 7.258
488 HD2 HIS 68 2HD HIS 68 11.710 6.234 10.620
489 HE1 HIS 68 1HE HIS 68 8.164 4.400 9.184
490 H GLY 69 H GLY 69 16.038 6.692 8.651
491 HA2 GLY 69 1HA GLY 69 16.768 6.836 5.903
492 HA3 GLY 69 2HA GLY 69 17.871 6.864 7.271
493 H GLN 70 H GLN 70 17.697 4.508 8.442
494 HA GLN 70 HA GLN 70 19.251 2.779 7.080
495 HB2 GLN 70 1HB GLN 70 17.067 2.177 9.067
496 HB3 GLN 70 2HB GLN 70 18.142 0.929 8.451
497 HG2 GLN 70 1HG GLN 70 20.038 2.478 9.238
498 HG3 GLN 70 2HG GLN 70 18.784 3.279 10.184
499 HE21 GLN 70 1HE2 GLN 70 20.336 2.512 11.891
500 HE22 GLN 70 2HE2 GLN 70 20.041 0.951 12.570
501 H SER 71 H SER 71 15.712 2.875 6.935
502 HA SER 71 HA SER 71 15.584 0.704 5.044
503 HB2 SER 71 1HB SER 71 13.765 1.055 6.657
504 HB3 SER 71 2HB SER 71 13.441 2.641 5.957
505 HG SER 71 HG SER 71 12.236 1.658 4.561
506 H GLY 72 H GLY 72 15.462 0.814 2.873
507 HA2 GLY 72 1HA GLY 72 15.846 1.747 0.795
508 HA3 GLY 72 2HA GLY 72 14.467 2.742 1.238
509 HA PRO 73 HA PRO 73 18.338 5.331 2.509
510 HB2 PRO 73 1HB PRO 73 20.774 4.309 1.885
511 HB3 PRO 73 2HB PRO 73 19.962 3.986 3.421
512 HG2 PRO 73 1HG PRO 73 20.114 2.283 0.964
513 HG3 PRO 73 2HG PRO 73 20.280 1.810 2.665
514 HD2 PRO 73 1HD PRO 73 17.990 1.441 1.267
515 HD3 PRO 73 2HD PRO 73 18.001 1.781 3.009
516 H SER 74 H SER 74 18.296 3.472 -0.441
517 HA SER 74 HA SER 74 19.004 5.906 -1.934
518 HB2 SER 74 1HB SER 74 19.910 3.093 -2.595
519 HB3 SER 74 2HB SER 74 20.210 4.524 -3.581
520 HG SER 74 HG SER 74 20.983 4.866 -0.993
521 H SER 75 H SER 75 17.792 2.594 -2.489
522 HA SER 75 HA SER 75 16.416 2.826 -4.771
523 HB2 SER 75 1HB SER 75 15.668 1.422 -2.223
524 HB3 SER 75 2HB SER 75 14.594 1.358 -3.620
525 HG SER 75 HG SER 75 16.270 0.437 -4.813
526 H GLY 76 H GLY 76 14.599 3.764 -5.574
527 HA2 GLY 76 1HA GLY 76 12.982 5.381 -3.707
528 HA3 GLY 76 2HA GLY 76 13.563 6.052 -5.223
Start of MODEL 19
1 H1 GLY 1 H GLY 1 8.560 -16.886 18.319
2 HA2 GLY 1 1HA GLY 1 10.756 -17.550 17.880
3 HA3 GLY 1 2HA GLY 1 9.869 -18.851 17.100
4 H SER 2 H SER 2 9.303 -18.529 14.801
5 HA SER 2 HA SER 2 11.601 -17.744 13.328
6 HB2 SER 2 1HB SER 2 8.830 -18.615 12.510
7 HB3 SER 2 2HB SER 2 10.066 -18.181 11.329
8 HG SER 2 HG SER 2 11.404 -19.800 12.423
9 H SER 3 H SER 3 12.165 -15.737 12.853
10 HA SER 3 HA SER 3 10.427 -13.516 13.125
11 HB2 SER 3 1HB SER 3 12.980 -13.552 13.346
12 HB3 SER 3 2HB SER 3 13.021 -13.492 11.584
13 HG SER 3 HG SER 3 12.640 -11.441 11.715
14 H GLY 4 H GLY 4 10.093 -11.891 11.346
15 HA2 GLY 4 1HA GLY 4 10.177 -12.530 8.631
16 HA3 GLY 4 2HA GLY 4 8.624 -13.079 9.244
17 H SER 5 H SER 5 8.026 -11.098 11.070
18 HA SER 5 HA SER 5 7.555 -8.835 9.264
19 HB2 SER 5 1HB SER 5 5.683 -8.264 10.702
20 HB3 SER 5 2HB SER 5 5.580 -9.971 10.273
21 HG SER 5 HG SER 5 6.771 -10.268 12.364
22 H SER 6 H SER 6 10.089 -8.888 10.264
23 HA SER 6 HA SER 6 10.362 -7.428 12.699
24 HB2 SER 6 1HB SER 6 12.727 -7.284 12.124
25 HB3 SER 6 2HB SER 6 12.137 -8.915 11.807
26 HG SER 6 HG SER 6 12.034 -7.067 9.720
27 H GLY 7 H GLY 7 9.678 -6.557 9.461
28 HA2 GLY 7 1HA GLY 7 10.289 -3.731 10.072
29 HA3 GLY 7 2HA GLY 7 10.318 -4.410 8.451
30 H SER 8 H SER 8 7.913 -4.752 11.043
31 HA SER 8 HA SER 8 5.804 -4.142 9.153
32 HB2 SER 8 1HB SER 8 4.289 -4.702 11.037
33 HB3 SER 8 2HB SER 8 5.462 -5.980 10.718
34 HG SER 8 HG SER 8 5.074 -4.549 12.968
35 H GLU 9 H GLU 9 7.699 -2.037 9.976
36 HA GLU 9 HA GLU 9 6.328 -0.249 11.732
37 HB2 GLU 9 1HB GLU 9 8.833 -0.309 11.236
38 HB3 GLU 9 2HB GLU 9 8.449 0.518 9.733
39 HG2 GLU 9 1HG GLU 9 8.974 2.282 11.085
40 HG3 GLU 9 2HG GLU 9 7.227 2.202 11.302
41 H ALA 10 H ALA 10 6.585 -0.603 8.232
42 HA ALA 10 HA ALA 10 5.404 1.751 7.391
43 HB1 ALA 10 1HB ALA 10 5.560 -0.997 6.255
44 HB2 ALA 10 2HB ALA 10 4.506 0.187 5.481
45 HB3 ALA 10 3HB ALA 10 6.230 0.518 5.646
46 H TRP 11 H TRP 11 3.927 -1.104 8.766
47 HA TRP 11 HA TRP 11 1.281 -0.768 8.025
48 HB2 TRP 11 1HB TRP 11 2.661 -2.011 10.351
49 HB3 TRP 11 2HB TRP 11 0.928 -1.731 10.495
50 HD1 TRP 11 HD TRP 11 3.273 -4.284 9.365
51 HE1 TRP 11 1HE TRP 11 2.109 -6.025 7.868
52 HE3 TRP 11 3HE TRP 11 -1.063 -1.754 8.396
53 HZ2 TRP 11 2HZ TRP 11 -0.325 -6.290 6.462
54 HZ3 TRP 11 3HZ TRP 11 -2.757 -2.821 6.966
55 HH2 TRP 11 HH TRP 11 -2.393 -5.042 6.019
56 H GLU 12 H GLU 12 3.176 1.001 10.357
57 HA GLU 12 HA GLU 12 1.160 2.179 11.876
58 HB2 GLU 12 1HB GLU 12 3.813 3.353 11.026
59 HB3 GLU 12 2HB GLU 12 2.793 3.992 12.307
60 HG2 GLU 12 1HG GLU 12 3.004 1.688 13.383
61 HG3 GLU 12 2HG GLU 12 4.322 1.417 12.244
62 H TYR 13 H TYR 13 1.940 2.615 8.587
63 HA TYR 13 HA TYR 13 0.430 5.136 8.474
64 HB2 TYR 13 1HB TYR 13 2.145 3.940 6.293
65 HB3 TYR 13 2HB TYR 13 1.483 5.570 6.360
66 HD1 TYR 13 1HD TYR 13 2.493 7.268 7.778
67 HD2 TYR 13 2HD TYR 13 4.095 3.330 7.606
68 HE1 TYR 13 1HE TYR 13 4.550 8.064 8.864
69 HE2 TYR 13 2HE TYR 13 6.157 4.115 8.693
70 HH TYR 13 HH TYR 13 6.848 7.456 9.126
71 H PHE 14 H PHE 14 -0.503 2.223 8.594
72 HA PHE 14 HA PHE 14 -2.580 2.534 6.595
73 HB2 PHE 14 1HB PHE 14 -0.767 0.112 6.634
74 HB3 PHE 14 2HB PHE 14 -2.262 0.232 5.711
75 HD1 PHE 14 1HD PHE 14 1.126 1.661 6.093
76 HD2 PHE 14 2HD PHE 14 -2.311 1.281 3.611
77 HE1 PHE 14 1HE PHE 14 2.369 2.667 4.223
78 HE2 PHE 14 2HE PHE 14 -1.073 2.285 1.737
79 HZ PHE 14 HZ PHE 14 1.270 2.979 2.041
80 H HIS 15 H HIS 15 -4.440 1.280 7.011
81 HA HIS 15 HA HIS 15 -4.448 -0.262 9.505
82 HB2 HIS 15 1HB HIS 15 -6.058 0.988 10.546
83 HB3 HIS 15 2HB HIS 15 -5.285 2.268 9.615
84 HD1 HIS 15 1HD HIS 15 -8.137 -0.197 9.038
85 HD2 HIS 15 2HD HIS 15 -7.104 3.759 8.303
86 HE1 HIS 15 1HE HIS 15 -10.131 0.816 7.888
87 H LEU 16 H LEU 16 -5.468 -2.142 9.284
88 HA LEU 16 HA LEU 16 -6.597 -2.958 6.839
89 HB2 LEU 16 1HB LEU 16 -6.790 -4.168 9.591
90 HB3 LEU 16 2HB LEU 16 -7.340 -4.961 8.117
91 HG LEU 16 HG LEU 16 -4.484 -4.111 8.539
92 HD11 LEU 16 1HD1 LEU 16 -5.947 -6.485 9.536
93 HD12 LEU 16 2HD1 LEU 16 -4.548 -5.646 10.208
94 HD13 LEU 16 3HD1 LEU 16 -4.345 -6.749 8.847
95 HD21 LEU 16 1HD2 LEU 16 -5.844 -6.010 6.633
96 HD22 LEU 16 2HD2 LEU 16 -4.096 -5.843 6.801
97 HD23 LEU 16 3HD2 LEU 16 -5.062 -4.479 6.237
98 H ALA 17 H ALA 17 -8.706 -3.295 6.195
99 HA ALA 17 HA ALA 17 -10.743 -1.903 7.801
100 HB1 ALA 17 1HB ALA 17 -11.927 -1.998 5.430
101 HB2 ALA 17 2HB ALA 17 -10.780 -0.726 5.853
102 HB3 ALA 17 3HB ALA 17 -10.254 -2.101 4.881
103 HA PRO 18 HA PRO 18 -12.880 -5.705 8.400
104 HB2 PRO 18 1HB PRO 18 -15.378 -4.734 8.832
105 HB3 PRO 18 2HB PRO 18 -14.077 -4.603 10.022
106 HG2 PRO 18 1HG PRO 18 -15.080 -2.559 8.078
107 HG3 PRO 18 2HG PRO 18 -14.637 -2.358 9.783
108 HD2 PRO 18 1HD PRO 18 -12.984 -1.658 7.756
109 HD3 PRO 18 2HD PRO 18 -12.382 -2.257 9.315
110 H ALA 19 H ALA 19 -14.421 -7.098 7.431
111 HA ALA 19 HA ALA 19 -15.575 -6.172 4.891
112 HB1 ALA 19 1HB ALA 19 -13.360 -7.506 4.700
113 HB2 ALA 19 2HB ALA 19 -14.371 -8.903 5.072
114 HB3 ALA 19 3HB ALA 19 -14.713 -7.921 3.647
115 H ARG 20 H ARG 20 -17.683 -6.207 5.480
116 HA ARG 20 HA ARG 20 -18.804 -8.290 7.097
117 HB2 ARG 20 1HB ARG 20 -19.948 -5.950 5.596
118 HB3 ARG 20 2HB ARG 20 -20.998 -7.154 6.332
119 HG2 ARG 20 1HG ARG 20 -20.173 -6.652 8.510
120 HG3 ARG 20 2HG ARG 20 -18.899 -5.625 7.849
121 HD2 ARG 20 1HD ARG 20 -20.340 -3.906 7.379
122 HD3 ARG 20 2HD ARG 20 -21.727 -4.978 7.189
123 HE ARG 20 HE ARG 20 -20.711 -4.821 9.880
124 HH11 ARG 20 2HH1 ARG 20 -22.882 -3.443 7.534
125 HH12 ARG 20 1HH1 ARG 20 -23.928 -2.738 8.722
126 HH21 ARG 20 2HH2 ARG 20 -22.080 -3.898 11.454
127 HH22 ARG 20 1HH2 ARG 20 -23.470 -2.997 10.952
128 H ALA 21 H ALA 21 -19.015 -7.398 3.665
129 HA ALA 21 HA ALA 21 -20.005 -10.120 3.116
130 HB1 ALA 21 1HB ALA 21 -21.776 -8.497 2.745
131 HB2 ALA 21 2HB ALA 21 -20.731 -7.583 1.657
132 HB3 ALA 21 3HB ALA 21 -21.256 -9.208 1.216
133 H GLY 22 H GLY 22 -19.680 -10.612 0.652
134 HA2 GLY 22 1HA GLY 22 -18.259 -10.832 -1.158
135 HA3 GLY 22 2HA GLY 22 -17.369 -9.432 -0.578
136 H HIS 23 H HIS 23 -15.300 -10.042 -0.510
137 HA HIS 23 HA HIS 23 -14.546 -12.717 0.282
138 HB2 HIS 23 1HB HIS 23 -12.850 -10.310 -0.413
139 HB3 HIS 23 2HB HIS 23 -12.238 -11.940 -0.150
140 HD1 HIS 23 1HD HIS 23 -14.635 -10.138 -2.486
141 HD2 HIS 23 2HD HIS 23 -12.112 -13.439 -2.406
142 HE1 HIS 23 1HE HIS 23 -14.666 -11.066 -4.823
143 H HIS 24 H HIS 24 -12.980 -13.136 1.987
144 HA HIS 24 HA HIS 24 -13.765 -12.131 4.466
145 HB2 HIS 24 1HB HIS 24 -12.261 -13.600 5.370
146 HB3 HIS 24 2HB HIS 24 -12.335 -14.260 3.738
147 HD1 HIS 24 1HD HIS 24 -9.925 -13.660 6.146
148 HD2 HIS 24 2HD HIS 24 -10.182 -12.643 2.125
149 HE1 HIS 24 1HE HIS 24 -7.559 -13.231 5.408
150 HA PRO 25 HA PRO 25 -11.591 -8.367 5.058
151 HB2 PRO 25 1HB PRO 25 -10.982 -8.490 7.700
152 HB3 PRO 25 2HB PRO 25 -12.624 -8.219 7.105
153 HG2 PRO 25 1HG PRO 25 -11.354 -10.751 8.074
154 HG3 PRO 25 2HG PRO 25 -12.973 -10.111 8.411
155 HD2 PRO 25 1HD PRO 25 -12.527 -12.055 6.580
156 HD3 PRO 25 2HD PRO 25 -13.822 -10.855 6.401
157 H ASN 26 H ASN 26 -9.524 -7.525 6.326
158 HA ASN 26 HA ASN 26 -7.253 -7.467 6.442
159 HB2 ASN 26 1HB ASN 26 -7.471 -9.330 7.992
160 HB3 ASN 26 2HB ASN 26 -7.571 -10.469 6.653
161 HD21 ASN 26 1HD2 ASN 26 -5.475 -8.169 8.281
162 HD22 ASN 26 2HD2 ASN 26 -3.987 -8.896 7.789
163 H GLN 27 H GLN 27 -8.380 -7.308 3.913
164 HA GLN 27 HA GLN 27 -6.464 -8.803 2.248
165 HB2 GLN 27 1HB GLN 27 -8.097 -8.305 0.373
166 HB3 GLN 27 2HB GLN 27 -8.645 -9.449 1.591
167 HG2 GLN 27 1HG GLN 27 -9.824 -7.518 2.701
168 HG3 GLN 27 2HG GLN 27 -9.458 -6.579 1.254
169 HE21 GLN 27 1HE2 GLN 27 -9.927 -8.138 -0.794
170 HE22 GLN 27 2HE2 GLN 27 -11.551 -8.727 -0.812
171 H TYR 28 H TYR 28 -8.059 -5.673 2.694
172 HA TYR 28 HA TYR 28 -5.888 -4.433 1.133
173 HB2 TYR 28 1HB TYR 28 -8.807 -3.850 1.305
174 HB3 TYR 28 2HB TYR 28 -7.707 -2.495 1.074
175 HD1 TYR 28 1HD TYR 28 -6.422 -2.272 -0.985
176 HD2 TYR 28 2HD TYR 28 -9.126 -5.510 -0.431
177 HE1 TYR 28 1HE TYR 28 -6.332 -2.751 -3.395
178 HE2 TYR 28 2HE TYR 28 -9.043 -5.998 -2.840
179 HH TYR 28 HH TYR 28 -6.735 -4.897 -4.862
180 H ALA 29 H ALA 29 -4.946 -2.534 1.914
181 HA ALA 29 HA ALA 29 -5.443 -2.006 4.771
182 HB1 ALA 29 1HB ALA 29 -3.197 -1.757 5.161
183 HB2 ALA 29 2HB ALA 29 -3.176 -2.996 3.905
184 HB3 ALA 29 3HB ALA 29 -2.843 -1.315 3.490
185 H THR 30 H THR 30 -6.055 -0.019 5.336
186 HA THR 30 HA THR 30 -6.252 2.023 3.273
187 HB THR 30 HB THR 30 -7.198 2.267 6.127
188 HG1 THR 30 1HG THR 30 -8.745 0.908 5.663
189 HG21 THR 30 1HG2 THR 30 -7.843 4.286 5.441
190 HG22 THR 30 2HG2 THR 30 -8.923 3.511 4.281
191 HG23 THR 30 3HG2 THR 30 -7.282 3.948 3.804
192 H CYS 31 H CYS 31 -4.597 3.354 2.970
193 HA CYS 31 HA CYS 31 -2.461 3.716 4.750
194 HB2 CYS 31 1HB CYS 31 -2.535 4.173 2.232
195 HB3 CYS 31 2HB CYS 31 -3.267 5.720 2.648
196 H ARG 32 H ARG 32 -2.315 4.845 6.565
197 HA ARG 32 HA ARG 32 -4.451 6.600 7.375
198 HB2 ARG 32 1HB ARG 32 -1.860 5.851 8.740
199 HB3 ARG 32 2HB ARG 32 -3.135 6.816 9.472
200 HG2 ARG 32 1HG ARG 32 -4.558 5.022 9.689
201 HG3 ARG 32 2HG ARG 32 -3.778 4.113 8.393
202 HD2 ARG 32 1HD ARG 32 -2.090 3.361 9.750
203 HD3 ARG 32 2HD ARG 32 -2.198 4.749 10.832
204 HE ARG 32 HE ARG 32 -4.556 3.263 11.064
205 HH11 ARG 32 2HH1 ARG 32 -1.160 2.977 11.774
206 HH12 ARG 32 1HH1 ARG 32 -1.398 1.910 13.119
207 HH21 ARG 32 2HH2 ARG 32 -4.882 1.859 12.832
208 HH22 ARG 32 1HH2 ARG 32 -3.515 1.274 13.719
209 H LEU 33 H LEU 33 -1.766 7.014 5.492
210 HA LEU 33 HA LEU 33 -1.066 9.668 6.438
211 HB2 LEU 33 1HB LEU 33 -0.066 7.885 4.246
212 HB3 LEU 33 2HB LEU 33 0.396 9.585 4.318
213 HG LEU 33 HG LEU 33 0.912 7.591 6.521
214 HD11 LEU 33 1HD1 LEU 33 2.952 8.689 4.614
215 HD12 LEU 33 2HD1 LEU 33 2.101 7.176 4.305
216 HD13 LEU 33 3HD1 LEU 33 3.107 7.344 5.744
217 HD21 LEU 33 1HD2 LEU 33 1.133 9.525 7.652
218 HD22 LEU 33 2HD2 LEU 33 1.318 10.487 6.186
219 HD23 LEU 33 3HD2 LEU 33 2.694 9.594 6.835
220 H CYS 34 H CYS 34 -2.304 8.257 3.405
221 HA CYS 34 HA CYS 34 -3.377 10.903 2.699
222 HB2 CYS 34 1HB CYS 34 -3.506 10.029 0.390
223 HB3 CYS 34 2HB CYS 34 -1.867 9.975 1.030
224 H GLY 35 H GLY 35 -4.218 7.463 2.867
225 HA2 GLY 35 1HA GLY 35 -6.370 6.851 3.812
226 HA3 GLY 35 2HA GLY 35 -7.050 8.276 3.039
227 H ARG 36 H ARG 36 -4.806 6.127 1.429
228 HA ARG 36 HA ARG 36 -6.954 5.403 -0.440
229 HB2 ARG 36 1HB ARG 36 -4.000 5.764 -0.721
230 HB3 ARG 36 2HB ARG 36 -4.827 4.662 -1.814
231 HG2 ARG 36 1HG ARG 36 -6.441 6.715 -2.130
232 HG3 ARG 36 2HG ARG 36 -5.024 7.617 -1.589
233 HD2 ARG 36 1HD ARG 36 -4.727 7.587 -3.878
234 HD3 ARG 36 2HD ARG 36 -3.770 6.197 -3.367
235 HE ARG 36 HE ARG 36 -6.499 5.583 -4.074
236 HH11 ARG 36 2HH1 ARG 36 -3.223 5.918 -5.203
237 HH12 ARG 36 1HH1 ARG 36 -3.455 4.895 -6.582
238 HH21 ARG 36 2HH2 ARG 36 -6.818 4.235 -5.886
239 HH22 ARG 36 1HH2 ARG 36 -5.501 3.939 -6.970
240 H GLN 37 H GLN 37 -6.809 3.217 -1.420
241 HA GLN 37 HA GLN 37 -6.335 1.251 0.681
242 HB2 GLN 37 1HB GLN 37 -7.651 0.893 -2.016
243 HB3 GLN 37 2HB GLN 37 -7.644 -0.270 -0.698
244 HG2 GLN 37 1HG GLN 37 -8.755 2.440 -0.196
245 HG3 GLN 37 2HG GLN 37 -9.705 1.293 -1.139
246 HE21 GLN 37 1HE2 GLN 37 -11.290 0.921 0.327
247 HE22 GLN 37 2HE2 GLN 37 -11.031 0.162 1.857
248 H VAL 38 H VAL 38 -4.638 -0.066 0.704
249 HA VAL 38 HA VAL 38 -3.216 -0.604 -1.811
250 HB VAL 38 HB VAL 38 -1.885 0.122 0.804
251 HG11 VAL 38 1HG1 VAL 38 -0.918 -1.620 -1.025
252 HG12 VAL 38 2HG1 VAL 38 -0.294 -0.096 -1.660
253 HG13 VAL 38 3HG1 VAL 38 0.090 -0.589 -0.010
254 HG21 VAL 38 1HG2 VAL 38 -0.928 1.961 -0.744
255 HG22 VAL 38 2HG2 VAL 38 -2.324 1.605 -1.761
256 HG23 VAL 38 3HG2 VAL 38 -2.559 2.152 -0.101
257 H SER 39 H SER 39 -3.872 -2.700 -1.994
258 HA SER 39 HA SER 39 -4.015 -4.522 0.177
259 HB2 SER 39 1HB SER 39 -5.351 -4.905 -1.806
260 HB3 SER 39 2HB SER 39 -3.905 -4.995 -2.811
261 HG SER 39 HG SER 39 -4.683 -6.800 -0.765
262 H ARG 40 H ARG 40 -2.746 -6.576 0.253
263 HA ARG 40 HA ARG 40 0.098 -5.938 0.026
264 HB2 ARG 40 1HB ARG 40 -1.362 -8.125 1.515
265 HB3 ARG 40 2HB ARG 40 0.389 -7.964 1.471
266 HG2 ARG 40 1HG ARG 40 -0.114 -5.548 2.341
267 HG3 ARG 40 2HG ARG 40 -1.638 -6.277 2.851
268 HD2 ARG 40 1HD ARG 40 1.039 -7.470 3.525
269 HD3 ARG 40 2HD ARG 40 0.253 -6.268 4.547
270 HE ARG 40 HE ARG 40 -1.536 -8.379 4.012
271 HH11 ARG 40 2HH1 ARG 40 1.343 -7.660 5.832
272 HH12 ARG 40 1HH1 ARG 40 1.015 -8.833 7.064
273 HH21 ARG 40 2HH2 ARG 40 -1.980 -9.926 5.628
274 HH22 ARG 40 1HH2 ARG 40 -0.876 -10.122 6.947
275 H GLY 41 H GLY 41 -2.110 -8.645 -0.697
276 HA2 GLY 41 1HA GLY 41 -2.105 -9.813 -2.766
277 HA3 GLY 41 2HA GLY 41 -0.458 -9.265 -3.040
278 HA PRO 42 HA PRO 42 -0.629 -13.689 -1.356
279 HB2 PRO 42 1HB PRO 42 0.206 -14.954 -3.608
280 HB3 PRO 42 2HB PRO 42 -1.499 -14.656 -3.250
281 HG2 PRO 42 1HG PRO 42 0.355 -13.131 -5.039
282 HG3 PRO 42 2HG PRO 42 -1.330 -13.607 -5.318
283 HD2 PRO 42 1HD PRO 42 -0.631 -11.109 -4.541
284 HD3 PRO 42 2HD PRO 42 -2.163 -11.867 -4.057
285 H GLY 43 H GLY 43 1.503 -11.398 -2.400
286 HA2 GLY 43 1HA GLY 43 3.773 -12.953 -1.391
287 HA3 GLY 43 2HA GLY 43 3.922 -12.220 -2.982
288 H VAL 44 H VAL 44 3.330 -11.482 0.430
289 HA VAL 44 HA VAL 44 4.491 -8.812 -0.040
290 HB VAL 44 HB VAL 44 2.111 -8.748 0.659
291 HG11 VAL 44 1HG1 VAL 44 3.174 -10.456 2.822
292 HG12 VAL 44 2HG1 VAL 44 1.988 -9.237 3.292
293 HG13 VAL 44 3HG1 VAL 44 1.580 -10.439 2.067
294 HG21 VAL 44 1HG2 VAL 44 3.058 -7.533 3.026
295 HG22 VAL 44 2HG2 VAL 44 4.322 -7.358 1.808
296 HG23 VAL 44 3HG2 VAL 44 2.693 -6.768 1.479
297 H ASN 45 H ASN 45 6.066 -11.115 0.443
298 HA ASN 45 HA ASN 45 7.192 -10.415 3.069
299 HB2 ASN 45 1HB ASN 45 6.480 -13.091 1.980
300 HB3 ASN 45 2HB ASN 45 7.968 -12.970 2.914
301 HD21 ASN 45 1HD2 ASN 45 4.524 -12.861 2.985
302 HD22 ASN 45 2HD2 ASN 45 4.347 -12.801 4.703
303 H VAL 46 H VAL 46 8.001 -9.237 0.694
304 HA VAL 46 HA VAL 46 10.506 -10.596 -0.010
305 HB VAL 46 HB VAL 46 9.353 -8.161 -1.361
306 HG11 VAL 46 1HG1 VAL 46 11.033 -8.339 -2.840
307 HG12 VAL 46 2HG1 VAL 46 11.827 -9.273 -1.570
308 HG13 VAL 46 3HG1 VAL 46 10.959 -10.100 -2.864
309 HG21 VAL 46 1HG2 VAL 46 8.389 -10.877 -1.412
310 HG22 VAL 46 2HG2 VAL 46 7.713 -9.433 -2.166
311 HG23 VAL 46 3HG2 VAL 46 8.941 -10.375 -3.010
312 H GLY 47 H GLY 47 10.368 -9.413 2.530
313 HA2 GLY 47 1HA GLY 47 11.855 -8.200 3.827
314 HA3 GLY 47 2HA GLY 47 12.621 -7.628 2.353
315 H THR 48 H THR 48 10.698 -6.301 1.043
316 HA THR 48 HA THR 48 10.122 -4.079 2.871
317 HB THR 48 HB THR 48 10.153 -4.106 -0.154
318 HG1 THR 48 1HG THR 48 12.013 -2.573 1.143
319 HG21 THR 48 1HG2 THR 48 8.774 -2.324 0.320
320 HG22 THR 48 2HG2 THR 48 10.352 -1.540 0.397
321 HG23 THR 48 3HG2 THR 48 9.531 -2.016 1.883
322 H THR 49 H THR 49 8.158 -4.333 3.758
323 HA THR 49 HA THR 49 5.985 -5.716 2.827
324 HB THR 49 HB THR 49 5.544 -3.115 4.255
325 HG1 THR 49 1HG THR 49 6.084 -4.388 6.202
326 HG21 THR 49 1HG2 THR 49 4.261 -5.288 5.495
327 HG22 THR 49 2HG2 THR 49 4.061 -5.525 3.759
328 HG23 THR 49 3HG2 THR 49 3.525 -4.023 4.511
329 H ALA 50 H ALA 50 4.605 -5.499 1.193
330 HA ALA 50 HA ALA 50 4.777 -3.877 -0.932
331 HB1 ALA 50 1HB ALA 50 2.240 -4.108 -1.150
332 HB2 ALA 50 2HB ALA 50 3.189 -5.591 -1.055
333 HB3 ALA 50 3HB ALA 50 2.319 -5.009 0.364
334 H LEU 51 H LEU 51 3.526 -2.963 2.185
335 HA LEU 51 HA LEU 51 2.157 -0.619 1.460
336 HB2 LEU 51 1HB LEU 51 3.650 -1.086 4.032
337 HB3 LEU 51 2HB LEU 51 2.289 0.002 3.768
338 HG LEU 51 HG LEU 51 2.081 -2.994 3.534
339 HD11 LEU 51 1HD1 LEU 51 2.726 -2.533 5.792
340 HD12 LEU 51 2HD1 LEU 51 0.996 -2.872 5.769
341 HD13 LEU 51 3HD1 LEU 51 1.566 -1.209 5.906
342 HD21 LEU 51 1HD2 LEU 51 -0.200 -1.222 4.190
343 HD22 LEU 51 2HD2 LEU 51 -0.149 -2.701 3.229
344 HD23 LEU 51 3HD2 LEU 51 0.409 -1.177 2.536
345 H TRP 52 H TRP 52 5.510 -1.098 2.548
346 HA TRP 52 HA TRP 52 6.422 1.471 2.627
347 HB2 TRP 52 1HB TRP 52 7.791 -1.031 1.647
348 HB3 TRP 52 2HB TRP 52 8.639 0.505 1.803
349 HD1 TRP 52 HD TRP 52 7.553 -2.472 3.786
350 HE1 TRP 52 1HE TRP 52 8.186 -2.155 6.260
351 HE3 TRP 52 3HE TRP 52 8.816 2.481 3.673
352 HZ2 TRP 52 2HZ TRP 52 9.098 -0.080 7.942
353 HZ3 TRP 52 3HZ TRP 52 9.558 3.556 5.758
354 HH2 TRP 52 HH TRP 52 9.695 2.301 7.847
355 H LYS 53 H LYS 53 6.396 -0.597 -0.277
356 HA LYS 53 HA LYS 53 7.441 1.022 -2.166
357 HB2 LYS 53 1HB LYS 53 5.199 -0.936 -2.218
358 HB3 LYS 53 2HB LYS 53 5.423 0.080 -3.636
359 HG2 LYS 53 1HG LYS 53 6.660 -1.800 -4.148
360 HG3 LYS 53 2HG LYS 53 7.882 -0.690 -3.521
361 HD2 LYS 53 1HD LYS 53 7.608 -1.786 -1.287
362 HD3 LYS 53 2HD LYS 53 6.567 -2.980 -2.064
363 HE2 LYS 53 1HE LYS 53 9.278 -2.454 -3.193
364 HE3 LYS 53 2HE LYS 53 9.132 -3.436 -1.736
365 HZ1 LYS 53 1HZ LYS 53 9.035 -4.974 -3.443
366 HZ2 LYS 53 2HZ LYS 53 8.095 -3.984 -4.442
367 HZ3 LYS 53 3HZ LYS 53 7.399 -4.725 -3.090
368 H HIS 54 H HIS 54 4.138 1.241 -0.899
369 HA HIS 54 HA HIS 54 3.330 3.376 -2.580
370 HB2 HIS 54 1HB HIS 54 1.709 1.923 -1.453
371 HB3 HIS 54 2HB HIS 54 2.249 2.520 0.114
372 HD1 HIS 54 1HD HIS 54 0.669 3.887 -3.062
373 HD2 HIS 54 2HD HIS 54 0.828 4.642 1.020
374 HE1 HIS 54 1HE HIS 54 -0.949 5.771 -2.663
375 H LEU 55 H LEU 55 4.550 3.266 0.753
376 HA LEU 55 HA LEU 55 4.343 5.975 1.356
377 HB2 LEU 55 1HB LEU 55 6.389 3.956 2.260
378 HB3 LEU 55 2HB LEU 55 6.178 5.551 2.980
379 HG LEU 55 HG LEU 55 3.988 3.486 2.914
380 HD11 LEU 55 1HD1 LEU 55 5.575 2.378 4.183
381 HD12 LEU 55 2HD1 LEU 55 4.664 3.273 5.399
382 HD13 LEU 55 3HD1 LEU 55 6.231 3.872 4.855
383 HD21 LEU 55 1HD2 LEU 55 3.086 4.848 4.748
384 HD22 LEU 55 2HD2 LEU 55 3.255 5.775 3.257
385 HD23 LEU 55 3HD2 LEU 55 4.428 5.976 4.559
386 H LYS 56 H LYS 56 7.100 4.202 -0.028
387 HA LYS 56 HA LYS 56 8.663 6.572 -0.399
388 HB2 LYS 56 1HB LYS 56 9.021 3.833 -1.628
389 HB3 LYS 56 2HB LYS 56 10.226 5.113 -1.581
390 HG2 LYS 56 1HG LYS 56 10.735 4.748 0.598
391 HG3 LYS 56 2HG LYS 56 9.099 4.227 1.008
392 HD2 LYS 56 1HD LYS 56 9.498 2.060 0.429
393 HD3 LYS 56 2HD LYS 56 10.658 2.496 -0.828
394 HE2 LYS 56 1HE LYS 56 12.085 1.610 0.718
395 HE3 LYS 56 2HE LYS 56 12.077 3.289 1.254
396 HZ1 LYS 56 1HZ LYS 56 11.546 1.162 2.821
397 HZ2 LYS 56 2HZ LYS 56 9.989 1.680 2.415
398 HZ3 LYS 56 3HZ LYS 56 11.070 2.750 3.157
399 H SER 57 H SER 57 6.042 5.278 -2.033
400 HA SER 57 HA SER 57 6.824 6.101 -4.691
401 HB2 SER 57 1HB SER 57 5.362 4.183 -4.494
402 HB3 SER 57 2HB SER 57 4.188 5.120 -3.572
403 HG SER 57 HG SER 57 4.801 5.227 -6.310
404 H MET 58 H MET 58 4.698 7.271 -2.121
405 HA MET 58 HA MET 58 4.545 9.848 -3.537
406 HB2 MET 58 1HB MET 58 2.286 10.147 -2.906
407 HB3 MET 58 2HB MET 58 2.388 8.506 -3.530
408 HG2 MET 58 1HG MET 58 2.179 7.555 -1.423
409 HG3 MET 58 2HG MET 58 2.643 9.043 -0.601
410 HE1 MET 58 1HE MET 58 0.434 9.117 -3.620
411 HE2 MET 58 2HE MET 58 -0.377 7.668 -3.024
412 HE3 MET 58 3HE MET 58 -1.223 9.217 -3.021
413 H HIS 59 H HIS 59 4.717 8.136 -0.482
414 HA HIS 59 HA HIS 59 5.013 10.635 0.997
415 HB2 HIS 59 1HB HIS 59 4.999 7.780 1.999
416 HB3 HIS 59 2HB HIS 59 4.973 9.227 3.001
417 HD1 HIS 59 1HD HIS 59 2.768 10.849 2.358
418 HD2 HIS 59 2HD HIS 59 2.530 6.768 1.619
419 HE1 HIS 59 1HE HIS 59 0.312 10.339 2.188
420 H ARG 60 H ARG 60 7.022 9.469 -0.950
421 HA ARG 60 HA ARG 60 9.257 8.409 0.214
422 HB2 ARG 60 1HB ARG 60 9.204 8.748 -2.152
423 HB3 ARG 60 2HB ARG 60 9.036 10.488 -1.960
424 HG2 ARG 60 1HG ARG 60 11.356 10.200 -0.715
425 HG3 ARG 60 2HG ARG 60 11.445 8.777 -1.756
426 HD2 ARG 60 1HD ARG 60 10.785 11.519 -2.801
427 HD3 ARG 60 2HD ARG 60 12.440 10.924 -2.672
428 HE ARG 60 HE ARG 60 11.273 8.972 -4.077
429 HH11 ARG 60 2HH1 ARG 60 11.184 12.434 -4.432
430 HH12 ARG 60 1HH1 ARG 60 10.975 12.383 -6.151
431 HH21 ARG 60 2HH2 ARG 60 10.998 8.892 -6.339
432 HH22 ARG 60 1HH2 ARG 60 10.868 10.368 -7.235
433 H GLU 61 H GLU 61 8.240 11.795 0.217
434 HA GLU 61 HA GLU 61 10.574 12.765 1.532
435 HB2 GLU 61 1HB GLU 61 7.822 13.942 1.145
436 HB3 GLU 61 2HB GLU 61 9.128 14.800 1.950
437 HG2 GLU 61 1HG GLU 61 10.477 14.649 -0.084
438 HG3 GLU 61 2HG GLU 61 9.157 13.804 -0.890
439 H GLU 62 H GLU 62 7.305 11.931 2.633
440 HA GLU 62 HA GLU 62 7.471 12.694 5.276
441 HB2 GLU 62 1HB GLU 62 5.557 11.530 3.864
442 HB3 GLU 62 2HB GLU 62 6.177 10.080 4.641
443 HG2 GLU 62 1HG GLU 62 4.237 11.303 5.756
444 HG3 GLU 62 2HG GLU 62 5.597 10.817 6.766
445 H LEU 63 H LEU 63 8.478 9.604 3.840
446 HA LEU 63 HA LEU 63 9.319 8.361 6.202
447 HB2 LEU 63 1HB LEU 63 10.430 8.012 3.422
448 HB3 LEU 63 2HB LEU 63 10.629 6.888 4.765
449 HG LEU 63 HG LEU 63 7.988 7.573 3.477
450 HD11 LEU 63 1HD1 LEU 63 8.118 5.610 2.235
451 HD12 LEU 63 2HD1 LEU 63 9.450 4.973 3.199
452 HD13 LEU 63 3HD1 LEU 63 9.732 6.306 2.079
453 HD21 LEU 63 1HD2 LEU 63 8.091 6.804 5.918
454 HD22 LEU 63 2HD2 LEU 63 8.601 5.246 5.269
455 HD23 LEU 63 3HD2 LEU 63 7.033 5.918 4.821
456 H GLU 64 H GLU 64 11.436 9.784 3.704
457 HA GLU 64 HA GLU 64 13.811 9.733 5.054
458 HB2 GLU 64 1HB GLU 64 12.827 11.958 3.258
459 HB3 GLU 64 2HB GLU 64 14.506 11.659 3.684
460 HG2 GLU 64 1HG GLU 64 14.250 9.385 2.638
461 HG3 GLU 64 2HG GLU 64 12.692 9.936 2.023
462 H LYS 65 H LYS 65 11.522 12.468 5.062
463 HA LYS 65 HA LYS 65 12.813 14.146 6.810
464 HB2 LYS 65 1HB LYS 65 10.640 14.549 5.555
465 HB3 LYS 65 2HB LYS 65 9.829 13.700 6.865
466 HG2 LYS 65 1HG LYS 65 10.805 15.376 8.443
467 HG3 LYS 65 2HG LYS 65 11.379 16.273 7.036
468 HD2 LYS 65 1HD LYS 65 9.334 17.281 7.615
469 HD3 LYS 65 2HD LYS 65 8.960 16.247 6.234
470 HE2 LYS 65 1HE LYS 65 8.421 14.481 8.089
471 HE3 LYS 65 2HE LYS 65 8.254 15.905 9.116
472 HZ1 LYS 65 1HZ LYS 65 6.370 14.849 7.386
473 HZ2 LYS 65 2HZ LYS 65 6.880 16.298 6.678
474 HZ3 LYS 65 3HZ LYS 65 6.267 16.298 8.254
475 H SER 66 H SER 66 10.598 11.492 7.624
476 HA SER 66 HA SER 66 10.655 11.864 10.412
477 HB2 SER 66 1HB SER 66 8.995 10.463 9.136
478 HB3 SER 66 2HB SER 66 10.251 9.235 8.971
479 HG SER 66 HG SER 66 9.645 8.584 10.864
480 H GLY 67 H GLY 67 12.567 9.746 8.292
481 HA2 GLY 67 1HA GLY 67 14.964 9.566 8.815
482 HA3 GLY 67 2HA GLY 67 14.502 9.469 10.508
483 H HIS 68 H HIS 68 13.255 7.808 7.619
484 HA HIS 68 HA HIS 68 13.752 5.258 9.002
485 HB2 HIS 68 1HB HIS 68 11.708 5.993 6.901
486 HB3 HIS 68 2HB HIS 68 11.992 4.346 7.455
487 HD1 HIS 68 1HD HIS 68 9.553 4.232 8.355
488 HD2 HIS 68 2HD HIS 68 11.923 7.128 10.160
489 HE1 HIS 68 1HE HIS 68 8.294 4.946 10.411
490 H GLY 69 H GLY 69 15.924 6.342 7.768
491 HA2 GLY 69 1HA GLY 69 16.246 5.615 5.052
492 HA3 GLY 69 2HA GLY 69 17.545 5.934 6.192
493 H GLN 70 H GLN 70 17.727 4.071 7.908
494 HA GLN 70 HA GLN 70 18.293 1.691 6.387
495 HB2 GLN 70 1HB GLN 70 19.335 0.868 8.420
496 HB3 GLN 70 2HB GLN 70 19.849 2.521 8.112
497 HG2 GLN 70 1HG GLN 70 18.008 3.219 9.726
498 HG3 GLN 70 2HG GLN 70 17.932 1.519 10.187
499 HE21 GLN 70 1HE2 GLN 70 18.494 2.553 12.290
500 HE22 GLN 70 2HE2 GLN 70 20.170 2.745 12.660
501 H SER 71 H SER 71 15.603 2.076 6.303
502 HA SER 71 HA SER 71 14.490 0.164 8.241
503 HB2 SER 71 1HB SER 71 13.192 2.305 6.553
504 HB3 SER 71 2HB SER 71 12.262 1.069 7.399
505 HG SER 71 HG SER 71 13.277 1.812 9.348
506 H GLY 72 H GLY 72 14.701 0.918 4.795
507 HA2 GLY 72 1HA GLY 72 14.233 -1.910 4.207
508 HA3 GLY 72 2HA GLY 72 13.144 -0.745 3.468
509 HA PRO 73 HA PRO 73 17.645 -0.407 1.605
510 HB2 PRO 73 1HB PRO 73 18.807 -2.848 1.362
511 HB3 PRO 73 2HB PRO 73 19.060 -1.799 2.762
512 HG2 PRO 73 1HG PRO 73 17.219 -4.140 2.456
513 HG3 PRO 73 2HG PRO 73 18.261 -3.708 3.824
514 HD2 PRO 73 1HD PRO 73 15.602 -3.200 3.802
515 HD3 PRO 73 2HD PRO 73 16.768 -2.150 4.632
516 H SER 74 H SER 74 18.576 -1.607 -0.466
517 HA SER 74 HA SER 74 16.250 -2.490 -2.046
518 HB2 SER 74 1HB SER 74 17.492 -0.209 -2.522
519 HB3 SER 74 2HB SER 74 18.647 -1.257 -3.345
520 HG SER 74 HG SER 74 17.226 -1.642 -4.867
521 H SER 75 H SER 75 16.952 -3.733 -4.067
522 HA SER 75 HA SER 75 19.076 -5.637 -3.322
523 HB2 SER 75 1HB SER 75 16.524 -6.339 -3.406
524 HB3 SER 75 2HB SER 75 16.845 -6.454 -5.136
525 HG SER 75 HG SER 75 18.838 -7.678 -4.135
526 H GLY 76 H GLY 76 20.200 -6.675 -5.102
527 HA2 GLY 76 1HA GLY 76 21.459 -5.107 -6.865
528 HA3 GLY 76 2HA GLY 76 21.075 -6.777 -7.255
Start of MODEL 20
1 H1 GLY 1 H GLY 1 12.259 -17.046 11.338
2 HA2 GLY 1 1HA GLY 1 14.391 -15.702 10.008
3 HA3 GLY 1 2HA GLY 1 12.899 -14.782 9.885
4 H SER 2 H SER 2 15.084 -16.311 12.219
5 HA SER 2 HA SER 2 15.558 -15.837 14.399
6 HB2 SER 2 1HB SER 2 16.223 -13.692 12.993
7 HB3 SER 2 2HB SER 2 14.925 -12.953 13.931
8 HG SER 2 HG SER 2 17.431 -13.586 14.696
9 H SER 3 H SER 3 12.955 -16.699 14.053
10 HA SER 3 HA SER 3 10.807 -16.584 14.876
11 HB2 SER 3 1HB SER 3 10.795 -16.457 17.364
12 HB3 SER 3 2HB SER 3 12.034 -17.546 16.739
13 HG SER 3 HG SER 3 12.299 -15.241 18.183
14 H GLY 4 H GLY 4 11.428 -14.189 13.584
15 HA2 GLY 4 1HA GLY 4 9.454 -12.469 14.648
16 HA3 GLY 4 2HA GLY 4 11.046 -11.852 15.063
17 H SER 5 H SER 5 8.859 -10.880 13.234
18 HA SER 5 HA SER 5 10.392 -10.780 10.724
19 HB2 SER 5 1HB SER 5 7.452 -10.379 11.289
20 HB3 SER 5 2HB SER 5 8.194 -9.951 9.748
21 HG SER 5 HG SER 5 7.418 -12.023 9.564
22 H SER 6 H SER 6 10.959 -8.842 9.817
23 HA SER 6 HA SER 6 10.531 -6.465 11.504
24 HB2 SER 6 1HB SER 6 12.875 -7.431 9.928
25 HB3 SER 6 2HB SER 6 12.636 -5.691 10.081
26 HG SER 6 HG SER 6 13.705 -7.330 11.845
27 H GLY 7 H GLY 7 11.038 -4.397 10.011
28 HA2 GLY 7 1HA GLY 7 10.290 -3.035 8.318
29 HA3 GLY 7 2HA GLY 7 10.147 -4.478 7.324
30 H SER 8 H SER 8 8.466 -4.022 10.369
31 HA SER 8 HA SER 8 5.928 -4.157 8.904
32 HB2 SER 8 1HB SER 8 4.934 -4.973 10.938
33 HB3 SER 8 2HB SER 8 6.429 -5.870 10.677
34 HG SER 8 HG SER 8 7.396 -4.751 12.285
35 H GLU 9 H GLU 9 7.915 -1.945 10.432
36 HA GLU 9 HA GLU 9 6.215 -0.291 11.863
37 HB2 GLU 9 1HB GLU 9 8.706 -0.066 11.672
38 HB3 GLU 9 2HB GLU 9 8.468 0.644 10.081
39 HG2 GLU 9 1HG GLU 9 8.649 2.526 11.349
40 HG3 GLU 9 2HG GLU 9 6.903 2.287 11.389
41 H ALA 10 H ALA 10 6.498 -0.747 8.432
42 HA ALA 10 HA ALA 10 5.359 1.605 7.472
43 HB1 ALA 10 1HB ALA 10 5.438 -1.202 6.435
44 HB2 ALA 10 2HB ALA 10 4.539 0.049 5.576
45 HB3 ALA 10 3HB ALA 10 6.273 0.233 5.840
46 H TRP 11 H TRP 11 3.866 -1.231 8.891
47 HA TRP 11 HA TRP 11 1.233 -0.912 8.116
48 HB2 TRP 11 1HB TRP 11 2.565 -2.072 10.519
49 HB3 TRP 11 2HB TRP 11 0.821 -1.833 10.575
50 HD1 TRP 11 HD TRP 11 3.195 -4.421 9.762
51 HE1 TRP 11 1HE TRP 11 2.179 -6.206 8.211
52 HE3 TRP 11 3HE TRP 11 -0.952 -1.872 8.201
53 HZ2 TRP 11 2HZ TRP 11 -0.082 -6.494 6.545
54 HZ3 TRP 11 3HZ TRP 11 -2.491 -2.973 6.628
55 HH2 TRP 11 HH TRP 11 -2.062 -5.237 5.818
56 H GLU 12 H GLU 12 3.091 0.913 10.436
57 HA GLU 12 HA GLU 12 1.051 2.125 11.894
58 HB2 GLU 12 1HB GLU 12 3.718 3.280 11.060
59 HB3 GLU 12 2HB GLU 12 2.677 3.948 12.309
60 HG2 GLU 12 1HG GLU 12 3.763 1.151 12.420
61 HG3 GLU 12 2HG GLU 12 4.611 2.540 13.096
62 H TYR 13 H TYR 13 1.987 2.560 8.618
63 HA TYR 13 HA TYR 13 0.438 5.048 8.421
64 HB2 TYR 13 1HB TYR 13 2.198 3.826 6.293
65 HB3 TYR 13 2HB TYR 13 1.550 5.462 6.341
66 HD1 TYR 13 2HD TYR 13 4.113 3.201 7.652
67 HD2 TYR 13 1HD TYR 13 2.550 7.156 7.768
68 HE1 TYR 13 2HE TYR 13 6.160 3.971 8.777
69 HE2 TYR 13 1HE TYR 13 4.593 7.937 8.892
70 HH TYR 13 HH TYR 13 7.220 5.685 9.700
71 H PHE 14 H PHE 14 -0.504 2.145 8.575
72 HA PHE 14 HA PHE 14 -2.544 2.420 6.542
73 HB2 PHE 14 1HB PHE 14 -0.700 0.022 6.581
74 HB3 PHE 14 2HB PHE 14 -2.184 0.135 5.639
75 HD1 PHE 14 1HD PHE 14 1.234 1.436 6.025
76 HD2 PHE 14 2HD PHE 14 -2.266 1.364 3.605
77 HE1 PHE 14 1HE PHE 14 2.492 2.473 4.182
78 HE2 PHE 14 2HE PHE 14 -1.014 2.400 1.758
79 HZ PHE 14 HZ PHE 14 1.368 2.955 2.045
80 H HIS 15 H HIS 15 -4.382 1.110 6.921
81 HA HIS 15 HA HIS 15 -4.392 -0.486 9.372
82 HB2 HIS 15 1HB HIS 15 -5.971 0.742 10.488
83 HB3 HIS 15 2HB HIS 15 -5.178 2.048 9.611
84 HD1 HIS 15 1HD HIS 15 -8.105 -0.313 8.980
85 HD2 HIS 15 2HD HIS 15 -6.960 3.631 8.353
86 HE1 HIS 15 1HE HIS 15 -10.082 0.796 7.891
87 H LEU 16 H LEU 16 -5.432 -2.342 9.071
88 HA LEU 16 HA LEU 16 -6.730 -2.917 6.601
89 HB2 LEU 16 1HB LEU 16 -6.520 -4.484 9.165
90 HB3 LEU 16 2HB LEU 16 -7.232 -5.110 7.680
91 HG LEU 16 HG LEU 16 -4.422 -4.100 7.643
92 HD11 LEU 16 1HD1 LEU 16 -5.413 -6.465 9.096
93 HD12 LEU 16 2HD1 LEU 16 -3.939 -5.523 9.323
94 HD13 LEU 16 3HD1 LEU 16 -4.026 -6.728 8.038
95 HD21 LEU 16 1HD2 LEU 16 -6.162 -5.895 6.040
96 HD22 LEU 16 2HD2 LEU 16 -4.434 -6.248 6.093
97 HD23 LEU 16 3HD2 LEU 16 -4.997 -4.679 5.515
98 H ALA 17 H ALA 17 -8.888 -3.312 6.173
99 HA ALA 17 HA ALA 17 -10.758 -2.043 8.027
100 HB1 ALA 17 1HB ALA 17 -10.910 -1.183 5.823
101 HB2 ALA 17 2HB ALA 17 -10.980 -2.801 5.124
102 HB3 ALA 17 3HB ALA 17 -12.336 -2.191 6.072
103 HA PRO 18 HA PRO 18 -12.459 -5.866 9.397
104 HB2 PRO 18 1HB PRO 18 -14.913 -4.993 10.162
105 HB3 PRO 18 2HB PRO 18 -13.443 -4.651 11.081
106 HG2 PRO 18 1HG PRO 18 -14.913 -2.908 9.142
107 HG3 PRO 18 2HG PRO 18 -14.202 -2.485 10.711
108 HD2 PRO 18 1HD PRO 18 -12.976 -1.935 8.360
109 HD3 PRO 18 2HD PRO 18 -12.075 -2.313 9.842
110 H ALA 19 H ALA 19 -13.911 -7.485 8.789
111 HA ALA 19 HA ALA 19 -15.537 -6.923 6.397
112 HB1 ALA 19 1HB ALA 19 -13.605 -9.152 6.896
113 HB2 ALA 19 2HB ALA 19 -14.969 -9.378 5.800
114 HB3 ALA 19 3HB ALA 19 -13.778 -8.118 5.478
115 H ARG 20 H ARG 20 -17.613 -7.195 6.855
116 HA ARG 20 HA ARG 20 -18.370 -9.182 8.886
117 HB2 ARG 20 1HB ARG 20 -19.962 -6.838 7.830
118 HB3 ARG 20 2HB ARG 20 -20.457 -7.927 9.119
119 HG2 ARG 20 1HG ARG 20 -19.679 -6.163 10.338
120 HG3 ARG 20 2HG ARG 20 -18.211 -7.136 10.219
121 HD2 ARG 20 1HD ARG 20 -17.499 -4.980 9.685
122 HD3 ARG 20 2HD ARG 20 -17.704 -5.759 8.116
123 HE ARG 20 HE ARG 20 -19.442 -4.325 7.657
124 HH11 ARG 20 2HH1 ARG 20 -18.585 -4.094 11.023
125 HH12 ARG 20 1HH1 ARG 20 -19.565 -2.695 11.311
126 HH21 ARG 20 2HH2 ARG 20 -20.737 -2.483 8.024
127 HH22 ARG 20 1HH2 ARG 20 -20.790 -1.780 9.605
128 H ALA 21 H ALA 21 -18.690 -11.062 7.827
129 HA ALA 21 HA ALA 21 -19.669 -12.620 6.487
130 HB1 ALA 21 1HB ALA 21 -21.747 -10.453 6.245
131 HB2 ALA 21 2HB ALA 21 -21.942 -12.082 5.596
132 HB3 ALA 21 3HB ALA 21 -21.760 -11.841 7.334
133 H GLY 22 H GLY 22 -17.619 -11.132 5.339
134 HA2 GLY 22 1HA GLY 22 -18.552 -10.844 2.549
135 HA3 GLY 22 2HA GLY 22 -17.243 -9.893 3.235
136 H HIS 23 H HIS 23 -15.198 -10.721 3.298
137 HA HIS 23 HA HIS 23 -14.835 -13.472 2.322
138 HB2 HIS 23 1HB HIS 23 -13.216 -11.071 1.447
139 HB3 HIS 23 2HB HIS 23 -12.960 -12.736 0.933
140 HD1 HIS 23 1HD HIS 23 -14.107 -13.403 -1.162
141 HD2 HIS 23 2HD HIS 23 -15.854 -10.055 0.571
142 HE1 HIS 23 1HE HIS 23 -15.862 -12.640 -2.793
143 H HIS 24 H HIS 24 -12.960 -10.713 3.593
144 HA HIS 24 HA HIS 24 -12.171 -12.026 5.954
145 HB2 HIS 24 1HB HIS 24 -10.855 -13.189 3.961
146 HB3 HIS 24 2HB HIS 24 -9.803 -11.790 4.154
147 HD1 HIS 24 1HD HIS 24 -7.898 -12.281 5.631
148 HD2 HIS 24 2HD HIS 24 -11.288 -14.406 6.749
149 HE1 HIS 24 1HE HIS 24 -7.206 -13.651 7.623
150 HA PRO 25 HA PRO 25 -11.271 -7.810 6.860
151 HB2 PRO 25 1HB PRO 25 -9.944 -8.168 9.201
152 HB3 PRO 25 2HB PRO 25 -11.696 -8.352 9.052
153 HG2 PRO 25 1HG PRO 25 -9.566 -10.456 9.081
154 HG3 PRO 25 2HG PRO 25 -11.139 -10.445 9.899
155 HD2 PRO 25 1HD PRO 25 -10.704 -11.802 7.596
156 HD3 PRO 25 2HD PRO 25 -12.274 -11.077 7.995
157 H ASN 26 H ASN 26 -9.058 -9.995 5.782
158 HA ASN 26 HA ASN 26 -6.871 -8.024 5.919
159 HB2 ASN 26 1HB ASN 26 -6.562 -10.191 7.264
160 HB3 ASN 26 2HB ASN 26 -6.417 -10.996 5.704
161 HD21 ASN 26 1HD2 ASN 26 -5.187 -8.028 7.221
162 HD22 ASN 26 2HD2 ASN 26 -3.543 -8.268 6.749
163 H GLN 27 H GLN 27 -8.053 -7.325 3.905
164 HA GLN 27 HA GLN 27 -7.040 -8.853 1.599
165 HB2 GLN 27 1HB GLN 27 -9.025 -7.842 0.351
166 HB3 GLN 27 2HB GLN 27 -9.372 -9.140 1.487
167 HG2 GLN 27 1HG GLN 27 -9.799 -7.208 3.164
168 HG3 GLN 27 2HG GLN 27 -9.960 -6.224 1.711
169 HE21 GLN 27 1HE2 GLN 27 -11.265 -7.709 -0.030
170 HE22 GLN 27 2HE2 GLN 27 -12.811 -8.195 0.567
171 H TYR 28 H TYR 28 -8.191 -5.628 2.587
172 HA TYR 28 HA TYR 28 -6.049 -4.469 0.929
173 HB2 TYR 28 1HB TYR 28 -8.914 -3.608 1.236
174 HB3 TYR 28 2HB TYR 28 -7.670 -2.466 0.739
175 HD1 TYR 28 2HD TYR 28 -9.459 -5.551 -0.206
176 HD2 TYR 28 1HD TYR 28 -6.771 -2.505 -1.472
177 HE1 TYR 28 2HE TYR 28 -9.698 -6.314 -2.532
178 HE2 TYR 28 1HE TYR 28 -7.003 -3.260 -3.801
179 HH TYR 28 HH TYR 28 -7.629 -5.327 -5.013
180 H ALA 29 H ALA 29 -5.062 -2.573 1.708
181 HA ALA 29 HA ALA 29 -5.457 -2.121 4.593
182 HB1 ALA 29 1HB ALA 29 -3.237 -3.077 3.695
183 HB2 ALA 29 2HB ALA 29 -2.930 -1.431 3.141
184 HB3 ALA 29 3HB ALA 29 -3.179 -1.751 4.857
185 H THR 30 H THR 30 -5.980 -0.139 5.284
186 HA THR 30 HA THR 30 -6.313 1.964 3.289
187 HB THR 30 HB THR 30 -7.190 1.992 6.181
188 HG1 THR 30 1HG THR 30 -9.291 1.657 4.738
189 HG21 THR 30 1HG2 THR 30 -8.280 3.940 5.744
190 HG22 THR 30 2HG2 THR 30 -8.585 3.518 4.059
191 HG23 THR 30 3HG2 THR 30 -6.996 4.105 4.547
192 H CYS 31 H CYS 31 -4.668 3.308 2.977
193 HA CYS 31 HA CYS 31 -2.482 3.631 4.699
194 HB2 CYS 31 1HB CYS 31 -2.616 4.171 2.212
195 HB3 CYS 31 2HB CYS 31 -3.389 5.682 2.681
196 H ARG 32 H ARG 32 -2.178 4.812 6.472
197 HA ARG 32 HA ARG 32 -4.334 6.504 7.423
198 HB2 ARG 32 1HB ARG 32 -1.728 5.692 8.725
199 HB3 ARG 32 2HB ARG 32 -3.006 6.612 9.509
200 HG2 ARG 32 1HG ARG 32 -4.533 4.724 9.245
201 HG3 ARG 32 2HG ARG 32 -3.251 3.801 8.456
202 HD2 ARG 32 1HD ARG 32 -3.211 3.055 10.669
203 HD3 ARG 32 2HD ARG 32 -1.895 4.226 10.586
204 HE ARG 32 HE ARG 32 -3.941 5.740 11.432
205 HH11 ARG 32 2HH1 ARG 32 -2.730 2.654 12.498
206 HH12 ARG 32 1HH1 ARG 32 -3.215 2.886 14.145
207 HH21 ARG 32 2HH2 ARG 32 -4.584 6.057 13.598
208 HH22 ARG 32 1HH2 ARG 32 -4.270 4.821 14.769
209 H LEU 33 H LEU 33 -1.738 6.966 5.466
210 HA LEU 33 HA LEU 33 -0.949 9.562 6.510
211 HB2 LEU 33 1HB LEU 33 -0.031 7.828 4.251
212 HB3 LEU 33 2HB LEU 33 0.432 9.527 4.316
213 HG LEU 33 HG LEU 33 1.046 7.489 6.454
214 HD11 LEU 33 1HD1 LEU 33 2.181 7.517 4.015
215 HD12 LEU 33 2HD1 LEU 33 3.034 7.059 5.488
216 HD13 LEU 33 3HD1 LEU 33 3.200 8.693 4.846
217 HD21 LEU 33 1HD2 LEU 33 0.938 10.251 6.618
218 HD22 LEU 33 2HD2 LEU 33 2.648 9.903 6.360
219 HD23 LEU 33 3HD2 LEU 33 1.792 9.165 7.715
220 H CYS 34 H CYS 34 -2.384 8.264 3.520
221 HA CYS 34 HA CYS 34 -3.442 10.956 2.962
222 HB2 CYS 34 1HB CYS 34 -3.562 10.269 0.603
223 HB3 CYS 34 2HB CYS 34 -1.920 10.145 1.227
224 H GLY 35 H GLY 35 -4.215 7.501 2.952
225 HA2 GLY 35 1HA GLY 35 -6.352 6.803 3.871
226 HA3 GLY 35 2HA GLY 35 -7.063 8.247 3.165
227 H ARG 36 H ARG 36 -4.779 6.224 1.452
228 HA ARG 36 HA ARG 36 -6.916 5.546 -0.447
229 HB2 ARG 36 1HB ARG 36 -3.954 5.914 -0.713
230 HB3 ARG 36 2HB ARG 36 -4.815 4.918 -1.879
231 HG2 ARG 36 1HG ARG 36 -6.371 6.945 -2.149
232 HG3 ARG 36 2HG ARG 36 -5.085 7.850 -1.347
233 HD2 ARG 36 1HD ARG 36 -3.548 6.745 -3.118
234 HD3 ARG 36 2HD ARG 36 -5.050 6.449 -3.992
235 HE ARG 36 HE ARG 36 -4.870 9.161 -3.189
236 HH11 ARG 36 2HH1 ARG 36 -3.619 6.884 -5.506
237 HH12 ARG 36 1HH1 ARG 36 -3.287 8.089 -6.706
238 HH21 ARG 36 2HH2 ARG 36 -4.438 10.757 -4.761
239 HH22 ARG 36 1HH2 ARG 36 -3.753 10.292 -6.281
240 H GLN 37 H GLN 37 -7.223 3.441 -1.159
241 HA GLN 37 HA GLN 37 -6.466 1.397 0.727
242 HB2 GLN 37 1HB GLN 37 -8.108 1.281 -1.807
243 HB3 GLN 37 2HB GLN 37 -7.867 -0.079 -0.718
244 HG2 GLN 37 1HG GLN 37 -8.847 1.416 1.096
245 HG3 GLN 37 2HG GLN 37 -9.366 2.468 -0.221
246 HE21 GLN 37 1HE2 GLN 37 -10.270 -0.020 1.736
247 HE22 GLN 37 2HE2 GLN 37 -11.556 -0.678 0.788
248 H VAL 38 H VAL 38 -4.786 0.072 0.566
249 HA VAL 38 HA VAL 38 -3.578 -0.367 -2.083
250 HB VAL 38 HB VAL 38 -2.028 -0.012 0.485
251 HG11 VAL 38 1HG1 VAL 38 -1.334 -1.361 -1.833
252 HG12 VAL 38 2HG1 VAL 38 -0.568 0.219 -2.006
253 HG13 VAL 38 3HG1 VAL 38 -0.231 -0.775 -0.588
254 HG21 VAL 38 1HG2 VAL 38 -2.307 2.175 0.129
255 HG22 VAL 38 2HG2 VAL 38 -1.247 1.970 -1.266
256 HG23 VAL 38 3HG2 VAL 38 -2.997 1.910 -1.472
257 H SER 39 H SER 39 -3.583 -2.444 -2.603
258 HA SER 39 HA SER 39 -3.938 -4.453 -0.523
259 HB2 SER 39 1HB SER 39 -4.320 -6.003 -2.434
260 HB3 SER 39 2HB SER 39 -5.404 -4.612 -2.455
261 HG SER 39 HG SER 39 -4.660 -4.245 -4.375
262 H ARG 40 H ARG 40 -2.545 -6.165 -0.160
263 HA ARG 40 HA ARG 40 0.223 -5.640 -0.726
264 HB2 ARG 40 1HB ARG 40 -1.121 -7.943 0.697
265 HB3 ARG 40 2HB ARG 40 0.619 -7.708 0.603
266 HG2 ARG 40 1HG ARG 40 0.531 -5.765 1.933
267 HG3 ARG 40 2HG ARG 40 -1.223 -5.648 1.776
268 HD2 ARG 40 1HD ARG 40 -0.853 -6.505 3.932
269 HD3 ARG 40 2HD ARG 40 -1.323 -7.896 2.956
270 HE ARG 40 HE ARG 40 0.801 -8.763 3.198
271 HH11 ARG 40 2HH1 ARG 40 0.687 -5.504 4.418
272 HH12 ARG 40 1HH1 ARG 40 2.237 -5.597 5.185
273 HH21 ARG 40 2HH2 ARG 40 2.844 -8.898 4.204
274 HH22 ARG 40 1HH2 ARG 40 3.464 -7.528 5.062
275 H GLY 41 H GLY 41 -1.586 -8.689 -1.107
276 HA2 GLY 41 1HA GLY 41 -1.818 -9.571 -3.423
277 HA3 GLY 41 2HA GLY 41 -0.147 -9.079 -3.660
278 HA PRO 42 HA PRO 42 -0.303 -13.577 -2.419
279 HB2 PRO 42 1HB PRO 42 1.169 -14.477 -4.515
280 HB3 PRO 42 2HB PRO 42 -0.588 -14.297 -4.582
281 HG2 PRO 42 1HG PRO 42 1.544 -12.465 -5.612
282 HG3 PRO 42 2HG PRO 42 0.025 -12.959 -6.383
283 HD2 PRO 42 1HD PRO 42 0.318 -10.572 -5.137
284 HD3 PRO 42 2HD PRO 42 -1.226 -11.447 -5.173
285 H GLY 43 H GLY 43 1.563 -14.988 -1.939
286 HA2 GLY 43 1HA GLY 43 3.482 -15.128 -0.631
287 HA3 GLY 43 2HA GLY 43 4.199 -14.603 -2.147
288 H VAL 44 H VAL 44 2.791 -13.413 0.877
289 HA VAL 44 HA VAL 44 4.262 -10.895 0.532
290 HB VAL 44 HB VAL 44 2.775 -9.848 1.958
291 HG11 VAL 44 1HG1 VAL 44 0.592 -10.324 1.175
292 HG12 VAL 44 2HG1 VAL 44 1.692 -10.755 -0.137
293 HG13 VAL 44 3HG1 VAL 44 0.990 -12.016 0.878
294 HG21 VAL 44 1HG2 VAL 44 2.778 -10.995 3.942
295 HG22 VAL 44 2HG2 VAL 44 1.153 -11.371 3.367
296 HG23 VAL 44 3HG2 VAL 44 2.452 -12.548 3.172
297 H ASN 45 H ASN 45 4.894 -9.961 2.827
298 HA ASN 45 HA ASN 45 6.292 -10.064 4.619
299 HB2 ASN 45 1HB ASN 45 4.509 -11.928 5.195
300 HB3 ASN 45 2HB ASN 45 5.873 -13.008 4.924
301 HD21 ASN 45 1HD2 ASN 45 4.342 -12.262 7.361
302 HD22 ASN 45 2HD2 ASN 45 5.537 -11.752 8.500
303 H VAL 46 H VAL 46 7.444 -10.238 2.124
304 HA VAL 46 HA VAL 46 9.672 -12.117 2.578
305 HB VAL 46 HB VAL 46 8.288 -12.636 0.559
306 HG11 VAL 46 1HG1 VAL 46 8.893 -9.821 0.012
307 HG12 VAL 46 2HG1 VAL 46 9.136 -10.903 -1.361
308 HG13 VAL 46 3HG1 VAL 46 7.565 -10.830 -0.561
309 HG21 VAL 46 1HG2 VAL 46 10.819 -13.063 0.877
310 HG22 VAL 46 2HG2 VAL 46 10.119 -13.252 -0.730
311 HG23 VAL 46 3HG2 VAL 46 11.020 -11.790 -0.327
312 H GLY 47 H GLY 47 9.350 -9.352 3.541
313 HA2 GLY 47 1HA GLY 47 11.449 -8.075 3.871
314 HA3 GLY 47 2HA GLY 47 11.646 -8.141 2.126
315 H THR 48 H THR 48 11.119 -6.348 1.090
316 HA THR 48 HA THR 48 10.043 -4.084 2.284
317 HB THR 48 HB THR 48 9.867 -4.741 -0.661
318 HG1 THR 48 1HG THR 48 12.014 -3.938 0.977
319 HG21 THR 48 1HG2 THR 48 10.467 -2.005 0.110
320 HG22 THR 48 2HG2 THR 48 8.917 -2.554 0.748
321 HG23 THR 48 3HG2 THR 48 9.231 -2.622 -0.986
322 H THR 49 H THR 49 8.133 -4.302 3.353
323 HA THR 49 HA THR 49 5.904 -5.762 2.497
324 HB THR 49 HB THR 49 5.635 -3.284 4.177
325 HG1 THR 49 1HG THR 49 6.831 -4.155 5.689
326 HG21 THR 49 1HG2 THR 49 4.210 -5.901 3.902
327 HG22 THR 49 2HG2 THR 49 3.551 -4.265 3.933
328 HG23 THR 49 3HG2 THR 49 4.130 -5.011 5.422
329 H ALA 50 H ALA 50 4.394 -5.393 1.009
330 HA ALA 50 HA ALA 50 4.434 -3.644 -1.008
331 HB1 ALA 50 1HB ALA 50 1.887 -4.443 0.397
332 HB2 ALA 50 2HB ALA 50 2.040 -3.912 -1.278
333 HB3 ALA 50 3HB ALA 50 2.765 -5.436 -0.766
334 H LEU 51 H LEU 51 3.380 -2.900 2.247
335 HA LEU 51 HA LEU 51 2.123 -0.444 1.767
336 HB2 LEU 51 1HB LEU 51 3.735 -1.161 4.207
337 HB3 LEU 51 2HB LEU 51 2.421 0.009 4.099
338 HG LEU 51 HG LEU 51 2.055 -2.956 3.697
339 HD11 LEU 51 1HD1 LEU 51 2.459 -1.455 6.125
340 HD12 LEU 51 2HD1 LEU 51 2.289 -3.195 5.892
341 HD13 LEU 51 3HD1 LEU 51 0.855 -2.188 6.089
342 HD21 LEU 51 1HD2 LEU 51 -0.073 -1.025 4.495
343 HD22 LEU 51 2HD2 LEU 51 -0.205 -2.551 3.620
344 HD23 LEU 51 3HD2 LEU 51 0.421 -1.117 2.804
345 H TRP 52 H TRP 52 5.478 -1.080 2.795
346 HA TRP 52 HA TRP 52 6.468 1.464 2.862
347 HB2 TRP 52 1HB TRP 52 7.756 -1.105 1.956
348 HB3 TRP 52 2HB TRP 52 8.660 0.404 2.048
349 HD1 TRP 52 HD TRP 52 7.475 -2.449 4.151
350 HE1 TRP 52 1HE TRP 52 8.132 -2.058 6.609
351 HE3 TRP 52 3HE TRP 52 8.921 2.444 3.836
352 HZ2 TRP 52 2HZ TRP 52 9.130 0.046 8.203
353 HZ3 TRP 52 3HZ TRP 52 9.714 3.573 5.874
354 HH2 TRP 52 HH TRP 52 9.815 2.397 8.011
355 H LYS 53 H LYS 53 6.447 -0.640 -0.018
356 HA LYS 53 HA LYS 53 7.550 0.942 -1.905
357 HB2 LYS 53 1HB LYS 53 5.063 -0.753 -2.150
358 HB3 LYS 53 2HB LYS 53 5.885 -0.041 -3.532
359 HG2 LYS 53 1HG LYS 53 7.773 -1.384 -3.251
360 HG3 LYS 53 2HG LYS 53 7.337 -1.805 -1.593
361 HD2 LYS 53 1HD LYS 53 6.713 -3.728 -2.664
362 HD3 LYS 53 2HD LYS 53 5.206 -2.816 -2.783
363 HE2 LYS 53 1HE LYS 53 5.653 -2.207 -5.031
364 HE3 LYS 53 2HE LYS 53 7.320 -2.772 -4.925
365 HZ1 LYS 53 1HZ LYS 53 5.181 -4.709 -4.439
366 HZ2 LYS 53 2HZ LYS 53 6.701 -4.934 -5.147
367 HZ3 LYS 53 3HZ LYS 53 5.452 -4.219 -6.036
368 H HIS 54 H HIS 54 4.217 1.210 -0.722
369 HA HIS 54 HA HIS 54 3.497 3.356 -2.436
370 HB2 HIS 54 1HB HIS 54 1.812 1.920 -1.393
371 HB3 HIS 54 2HB HIS 54 2.296 2.488 0.202
372 HD1 HIS 54 1HD HIS 54 0.838 3.897 -3.012
373 HD2 HIS 54 2HD HIS 54 0.894 4.640 1.076
374 HE1 HIS 54 1HE HIS 54 -0.763 5.804 -2.653
375 H LEU 55 H LEU 55 4.608 3.209 0.929
376 HA LEU 55 HA LEU 55 4.395 5.922 1.541
377 HB2 LEU 55 1HB LEU 55 6.448 3.949 2.530
378 HB3 LEU 55 2HB LEU 55 6.052 5.490 3.287
379 HG LEU 55 HG LEU 55 4.043 3.272 2.964
380 HD11 LEU 55 1HD1 LEU 55 4.639 2.324 4.952
381 HD12 LEU 55 2HD1 LEU 55 5.379 3.802 5.565
382 HD13 LEU 55 3HD1 LEU 55 6.228 2.822 4.370
383 HD21 LEU 55 1HD2 LEU 55 4.003 5.357 5.089
384 HD22 LEU 55 2HD2 LEU 55 2.666 4.510 4.311
385 HD23 LEU 55 3HD2 LEU 55 3.510 5.800 3.455
386 H LYS 56 H LYS 56 7.020 4.116 0.013
387 HA LYS 56 HA LYS 56 8.682 6.477 -0.208
388 HB2 LYS 56 1HB LYS 56 9.101 3.759 -1.459
389 HB3 LYS 56 2HB LYS 56 10.307 5.022 -1.247
390 HG2 LYS 56 1HG LYS 56 10.602 4.566 0.960
391 HG3 LYS 56 2HG LYS 56 8.941 4.010 1.182
392 HD2 LYS 56 1HD LYS 56 9.418 1.908 0.201
393 HD3 LYS 56 2HD LYS 56 10.974 2.468 -0.417
394 HE2 LYS 56 1HE LYS 56 11.500 2.875 2.108
395 HE3 LYS 56 2HE LYS 56 10.188 1.727 2.370
396 HZ1 LYS 56 1HZ LYS 56 11.782 0.600 0.431
397 HZ2 LYS 56 2HZ LYS 56 11.675 0.133 2.053
398 HZ3 LYS 56 3HZ LYS 56 12.865 1.232 1.567
399 H SER 57 H SER 57 6.098 5.218 -1.902
400 HA SER 57 HA SER 57 6.975 5.970 -4.550
401 HB2 SER 57 1HB SER 57 5.435 4.085 -4.276
402 HB3 SER 57 2HB SER 57 4.243 5.150 -3.532
403 HG SER 57 HG SER 57 4.545 6.367 -5.652
404 H MET 58 H MET 58 4.702 7.206 -2.124
405 HA MET 58 HA MET 58 4.701 9.775 -3.568
406 HB2 MET 58 1HB MET 58 2.421 10.155 -2.853
407 HB3 MET 58 2HB MET 58 2.513 8.619 -3.703
408 HG2 MET 58 1HG MET 58 2.296 7.384 -1.725
409 HG3 MET 58 2HG MET 58 2.652 8.783 -0.715
410 HE1 MET 58 1HE MET 58 -1.094 9.064 -3.314
411 HE2 MET 58 2HE MET 58 0.593 9.113 -3.828
412 HE3 MET 58 3HE MET 58 -0.166 7.568 -3.438
413 H HIS 59 H HIS 59 4.584 8.147 -0.443
414 HA HIS 59 HA HIS 59 4.900 10.645 1.000
415 HB2 HIS 59 1HB HIS 59 4.906 7.800 2.029
416 HB3 HIS 59 2HB HIS 59 4.823 9.258 3.014
417 HD1 HIS 59 1HD HIS 59 2.600 10.802 2.424
418 HD2 HIS 59 2HD HIS 59 2.478 6.764 1.452
419 HE1 HIS 59 1HE HIS 59 0.162 10.249 2.153
420 H ARG 60 H ARG 60 6.977 9.512 -0.885
421 HA ARG 60 HA ARG 60 9.197 8.537 0.458
422 HB2 ARG 60 1HB ARG 60 9.197 8.570 -1.929
423 HB3 ARG 60 2HB ARG 60 8.988 10.315 -1.969
424 HG2 ARG 60 1HG ARG 60 11.262 10.392 -0.759
425 HG3 ARG 60 2HG ARG 60 11.433 8.725 -1.314
426 HD2 ARG 60 1HD ARG 60 12.474 10.241 -2.892
427 HD3 ARG 60 2HD ARG 60 11.066 9.476 -3.625
428 HE ARG 60 HE ARG 60 10.099 11.812 -2.623
429 HH11 ARG 60 2HH1 ARG 60 12.708 10.974 -4.770
430 HH12 ARG 60 1HH1 ARG 60 12.619 12.454 -5.667
431 HH21 ARG 60 2HH2 ARG 60 9.971 13.764 -3.796
432 HH22 ARG 60 1HH2 ARG 60 11.062 14.040 -5.112
433 H GLU 61 H GLU 61 7.955 11.800 0.251
434 HA GLU 61 HA GLU 61 10.281 13.082 1.291
435 HB2 GLU 61 1HB GLU 61 7.430 13.909 0.862
436 HB3 GLU 61 2HB GLU 61 8.518 14.938 1.784
437 HG2 GLU 61 1HG GLU 61 10.081 14.684 -0.272
438 HG3 GLU 61 2HG GLU 61 8.603 14.208 -1.106
439 H GLU 62 H GLU 62 7.244 11.937 2.703
440 HA GLU 62 HA GLU 62 7.683 12.922 5.305
441 HB2 GLU 62 1HB GLU 62 5.482 12.182 4.528
442 HB3 GLU 62 2HB GLU 62 6.069 10.529 4.405
443 HG2 GLU 62 1HG GLU 62 5.940 10.167 6.626
444 HG3 GLU 62 2HG GLU 62 6.373 11.826 7.035
445 H LEU 63 H LEU 63 8.598 9.912 3.721
446 HA LEU 63 HA LEU 63 9.529 8.587 6.045
447 HB2 LEU 63 1HB LEU 63 10.362 8.190 3.176
448 HB3 LEU 63 2HB LEU 63 10.638 7.062 4.502
449 HG LEU 63 HG LEU 63 7.960 7.826 3.337
450 HD11 LEU 63 1HD1 LEU 63 9.367 6.362 1.918
451 HD12 LEU 63 2HD1 LEU 63 7.894 5.579 2.488
452 HD13 LEU 63 3HD1 LEU 63 9.442 5.203 3.245
453 HD21 LEU 63 1HD2 LEU 63 8.760 6.213 5.722
454 HD22 LEU 63 2HD2 LEU 63 7.312 5.780 4.811
455 HD23 LEU 63 3HD2 LEU 63 7.450 7.380 5.543
456 H GLU 64 H GLU 64 11.344 10.150 3.398
457 HA GLU 64 HA GLU 64 13.886 9.942 4.403
458 HB2 GLU 64 1HB GLU 64 12.568 12.092 2.767
459 HB3 GLU 64 2HB GLU 64 14.261 12.215 3.226
460 HG2 GLU 64 1HG GLU 64 14.490 9.870 2.198
461 HG3 GLU 64 2HG GLU 64 12.938 10.216 1.437
462 H LYS 65 H LYS 65 11.619 12.627 4.991
463 HA LYS 65 HA LYS 65 13.142 14.208 6.629
464 HB2 LYS 65 1HB LYS 65 10.198 13.599 6.633
465 HB3 LYS 65 2HB LYS 65 10.890 14.721 7.798
466 HG2 LYS 65 1HG LYS 65 11.883 15.911 5.747
467 HG3 LYS 65 2HG LYS 65 10.707 14.975 4.822
468 HD2 LYS 65 1HD LYS 65 9.958 16.690 7.181
469 HD3 LYS 65 2HD LYS 65 9.969 17.287 5.520
470 HE2 LYS 65 1HE LYS 65 8.382 15.482 4.914
471 HE3 LYS 65 2HE LYS 65 8.318 15.010 6.611
472 HZ1 LYS 65 1HZ LYS 65 6.583 16.671 5.549
473 HZ2 LYS 65 2HZ LYS 65 7.763 17.805 5.979
474 HZ3 LYS 65 3HZ LYS 65 7.079 16.807 7.161
475 H SER 66 H SER 66 11.252 11.356 7.555
476 HA SER 66 HA SER 66 12.293 11.527 10.280
477 HB2 SER 66 1HB SER 66 10.168 9.803 9.002
478 HB3 SER 66 2HB SER 66 10.735 9.551 10.653
479 HG SER 66 HG SER 66 8.813 11.020 10.158
480 H GLY 67 H GLY 67 12.846 9.287 11.263
481 HA2 GLY 67 1HA GLY 67 15.093 8.281 9.780
482 HA3 GLY 67 2HA GLY 67 14.575 7.757 11.375
483 H HIS 68 H HIS 68 12.981 7.731 8.190
484 HA HIS 68 HA HIS 68 12.708 4.811 8.462
485 HB2 HIS 68 1HB HIS 68 10.632 6.721 7.367
486 HB3 HIS 68 2HB HIS 68 10.482 4.968 7.431
487 HD1 HIS 68 1HD HIS 68 11.062 4.180 10.179
488 HD2 HIS 68 2HD HIS 68 9.145 7.771 9.348
489 HE1 HIS 68 1HE HIS 68 9.852 4.802 12.294
490 H GLY 69 H GLY 69 12.753 7.564 6.225
491 HA2 GLY 69 1HA GLY 69 12.713 6.373 3.784
492 HA3 GLY 69 2HA GLY 69 13.751 7.742 4.151
493 H GLN 70 H GLN 70 15.529 6.544 5.934
494 HA GLN 70 HA GLN 70 17.127 5.005 4.062
495 HB2 GLN 70 1HB GLN 70 17.765 6.097 6.807
496 HB3 GLN 70 2HB GLN 70 18.915 5.261 5.772
497 HG2 GLN 70 1HG GLN 70 18.979 7.002 4.228
498 HG3 GLN 70 2HG GLN 70 17.478 7.709 4.825
499 HE21 GLN 70 1HE2 GLN 70 20.762 7.995 4.808
500 HE22 GLN 70 2HE2 GLN 70 20.968 8.993 6.203
501 H SER 71 H SER 71 14.898 3.594 4.897
502 HA SER 71 HA SER 71 15.941 1.663 6.851
503 HB2 SER 71 1HB SER 71 13.147 2.291 5.904
504 HB3 SER 71 2HB SER 71 13.518 0.820 6.803
505 HG SER 71 HG SER 71 13.903 1.971 8.570
506 H GLY 72 H GLY 72 17.337 0.573 5.420
507 HA2 GLY 72 1HA GLY 72 16.387 -1.716 4.220
508 HA3 GLY 72 2HA GLY 72 16.428 -0.514 2.939
509 HA PRO 73 HA PRO 73 20.796 -2.180 4.280
510 HB2 PRO 73 1HB PRO 73 20.842 -4.774 3.479
511 HB3 PRO 73 2HB PRO 73 20.405 -4.282 5.119
512 HG2 PRO 73 1HG PRO 73 18.628 -5.011 2.823
513 HG3 PRO 73 2HG PRO 73 18.496 -5.473 4.530
514 HD2 PRO 73 1HD PRO 73 17.007 -3.494 3.437
515 HD3 PRO 73 2HD PRO 73 17.540 -3.463 5.130
516 H SER 74 H SER 74 18.763 -2.977 1.523
517 HA SER 74 HA SER 74 21.020 -2.326 -0.251
518 HB2 SER 74 1HB SER 74 20.363 -4.037 -1.804
519 HB3 SER 74 2HB SER 74 20.494 -4.790 -0.215
520 HG SER 74 HG SER 74 18.080 -3.885 -1.406
521 H SER 75 H SER 75 20.617 -0.786 -1.705
522 HA SER 75 HA SER 75 17.928 -0.305 -2.676
523 HB2 SER 75 1HB SER 75 18.209 1.007 -0.503
524 HB3 SER 75 2HB SER 75 19.398 1.983 -1.365
525 HG SER 75 HG SER 75 17.025 2.622 -1.325
526 H GLY 76 H GLY 76 18.378 -0.429 -4.790
527 HA2 GLY 76 1HA GLY 76 20.373 1.454 -5.855
528 HA3 GLY 76 2HA GLY 76 20.427 -0.231 -6.351