Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
28616 | 3lri RC | 4494 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H MET 1 H MET 1 -6.691 24.938 2.776
2 HA MET 1 HA MET 1 -6.304 25.987 0.479
3 2HB MET 1 2HB MET 1 -5.204 23.279 0.236
4 2HG MET 1 2HG MET 1 -4.307 25.968 0.129
5 1HE MET 1 1HE MET 1 -2.760 27.278 0.711
6 2HE MET 1 2HE MET 1 -2.906 27.691 2.436
7 3HE MET 1 3HE MET 1 -1.383 27.015 1.809
8 H PHE 2 H PHE 2 -5.886 24.828 -1.813
9 HA PHE 2 HA PHE 2 -6.891 24.194 -3.677
10 2HB PHE 2 2HB PHE 2 -7.805 21.868 -3.559
11 HD1 PHE 2 HD1 PHE 2 -5.400 21.907 -4.399
12 HD2 PHE 2 HD2 PHE 2 -6.396 21.475 -0.296
13 HE1 PHE 2 HE1 PHE 2 -3.120 20.960 -3.945
14 HE2 PHE 2 HE2 PHE 2 -4.117 20.527 0.157
15 HZ PHE 2 HZ PHE 2 -2.506 20.281 -1.672
16 HA PRO 3 HA PRO 3 -10.904 25.977 -3.046
17 2HB PRO 3 2HB PRO 3 -10.325 28.038 -3.894
18 2HG PRO 3 2HG PRO 3 -8.297 28.092 -4.992
19 2HD PRO 3 2HD PRO 3 -7.252 26.297 -4.008
20 H ALA 4 H ALA 4 -10.671 25.765 -6.510
21 HA ALA 4 HA ALA 4 -12.955 24.784 -7.188
22 1HB ALA 4 1HB ALA 4 -10.195 24.240 -8.090
23 2HB ALA 4 2HB ALA 4 -11.378 23.009 -8.595
24 3HB ALA 4 3HB ALA 4 -11.632 24.717 -9.027
25 H MET 5 H MET 5 -10.395 22.630 -5.774
26 HA MET 5 HA MET 5 -11.626 20.283 -5.823
27 2HB MET 5 2HB MET 5 -10.577 20.164 -3.302
28 2HG MET 5 2HG MET 5 -8.317 19.880 -4.357
29 1HE MET 5 1HE MET 5 -8.989 19.342 -7.485
30 2HE MET 5 2HE MET 5 -8.276 17.746 -7.145
31 3HE MET 5 3HE MET 5 -9.934 17.863 -7.782
32 HA PRO 6 HA PRO 6 -15.094 20.322 -3.214
33 2HB PRO 6 2HB PRO 6 -15.617 18.127 -3.671
34 2HG PRO 6 2HG PRO 6 -13.824 16.821 -4.304
35 2HD PRO 6 2HD PRO 6 -12.405 18.441 -5.110
36 H LEU 7 H LEU 7 -12.523 18.794 -1.322
37 HA LEU 7 HA LEU 7 -12.673 20.908 0.589
38 2HB LEU 7 2HB LEU 7 -13.404 18.228 1.704
39 HG LEU 7 HG LEU 7 -12.906 20.617 2.946
40 1HD1 LEU 7 1HD1 LEU 7 -15.304 21.138 1.735
41 2HD1 LEU 7 2HD1 LEU 7 -15.819 20.567 3.341
42 3HD1 LEU 7 3HD1 LEU 7 -14.695 21.940 3.203
43 1HD2 LEU 7 1HD2 LEU 7 -14.591 18.247 3.746
44 2HD2 LEU 7 2HD2 LEU 7 -12.908 18.628 4.184
45 3HD2 LEU 7 3HD2 LEU 7 -14.244 19.584 4.869
46 H SER 8 H SER 8 -10.907 20.794 2.128
47 HA SER 8 HA SER 8 -9.166 18.567 2.012
48 2HB SER 8 2HB SER 8 -7.551 19.278 0.579
49 HG SER 8 HG SER 8 -9.078 19.772 -0.932
50 H SER 9 H SER 9 -10.382 19.406 4.224
51 HA SER 9 HA SER 9 -8.237 20.408 5.775
52 2HB SER 9 2HB SER 9 -9.517 22.344 6.740
53 HG SER 9 HG SER 9 -8.825 23.701 5.185
54 H LEU 10 H LEU 10 -8.452 18.456 6.955
55 HA LEU 10 HA LEU 10 -9.888 18.317 9.168
56 2HB LEU 10 2HB LEU 10 -11.759 16.613 8.130
57 HG LEU 10 HG LEU 10 -11.870 19.445 9.044
58 1HD1 LEU 10 1HD1 LEU 10 -13.656 18.430 7.004
59 2HD1 LEU 10 2HD1 LEU 10 -14.541 18.817 8.500
60 3HD1 LEU 10 3HD1 LEU 10 -13.538 20.059 7.713
61 1HD2 LEU 10 1HD2 LEU 10 -12.299 16.914 10.164
62 2HD2 LEU 10 2HD2 LEU 10 -12.615 18.499 10.909
63 3HD2 LEU 10 3HD2 LEU 10 -13.913 17.653 10.034
64 H PHE 11 H PHE 11 -8.542 16.767 6.332
65 HA PHE 11 HA PHE 11 -7.264 14.840 8.005
66 2HB PHE 11 2HB PHE 11 -8.555 13.429 5.771
67 HD1 PHE 11 HD1 PHE 11 -6.681 12.951 8.209
68 HD2 PHE 11 HD2 PHE 11 -10.811 12.248 7.533
69 HE1 PHE 11 HE1 PHE 11 -6.638 11.085 9.888
70 HE2 PHE 11 HE2 PHE 11 -10.768 10.383 9.212
71 HZ PHE 11 HZ PHE 11 -8.682 9.823 10.369
72 H VAL 12 H VAL 12 -7.833 16.550 5.006
73 HA VAL 12 HA VAL 12 -5.571 15.224 3.731
74 HB VAL 12 HB VAL 12 -7.983 16.626 2.881
75 1HG1 VAL 12 1HG1 VAL 12 -5.314 17.463 1.756
76 2HG1 VAL 12 2HG1 VAL 12 -6.770 17.444 0.732
77 3HG1 VAL 12 3HG1 VAL 12 -6.721 18.463 2.190
78 1HG2 VAL 12 1HG2 VAL 12 -6.512 14.278 2.268
79 2HG2 VAL 12 2HG2 VAL 12 -8.088 14.791 1.619
80 3HG2 VAL 12 3HG2 VAL 12 -6.588 15.247 0.777
81 H ASN 13 H ASN 13 -3.703 15.972 4.699
82 HA ASN 13 HA ASN 13 -3.509 18.843 5.045
83 2HB ASN 13 2HB ASN 13 -1.272 18.100 6.212
84 1HD2 ASN 13 2HD2 ASN 13 -1.523 16.975 8.507
85 2HD2 ASN 13 1HD2 ASN 13 -2.912 17.484 9.409
86 H GLY 14 H GLY 14 -3.499 18.217 2.373
87 1HA GLY 14 1HA GLY 14 -1.474 19.306 1.133
88 2HA GLY 14 2HA GLY 14 -0.732 17.766 1.518
89 HA PRO 15 HA PRO 15 -3.173 15.745 -1.510
90 2HB PRO 15 2HB PRO 15 -3.118 13.635 -0.591
91 2HG PRO 15 2HG PRO 15 -2.990 13.590 1.712
92 2HD PRO 15 2HD PRO 15 -2.046 15.649 2.108
93 H ARG 16 H ARG 16 -5.775 14.631 -1.769
94 HA ARG 16 HA ARG 16 -7.144 17.176 -1.935
95 2HB ARG 16 2HB ARG 16 -8.771 15.488 -3.319
96 2HG ARG 16 2HG ARG 16 -6.131 16.682 -4.285
97 2HD ARG 16 2HD ARG 16 -6.901 16.419 -6.536
98 HE ARG 16 HE ARG 16 -7.849 13.784 -5.704
99 1HH1 ARG 16 1HH1 ARG 16 -5.009 15.845 -5.972
100 2HH1 ARG 16 2HH1 ARG 16 -3.896 14.520 -6.035
101 1HH2 ARG 16 1HH2 ARG 16 -6.380 12.035 -5.787
102 2HH2 ARG 16 2HH2 ARG 16 -4.681 12.338 -5.929
103 H THR 17 H THR 17 -8.769 13.990 -1.956
104 HA THR 17 HA THR 17 -10.183 14.791 0.494
105 HB THR 17 HB THR 17 -11.482 14.513 -1.671
106 HG1 THR 17 HG1 THR 17 -13.039 13.655 -0.322
107 1HG2 THR 17 1HG2 THR 17 -10.469 11.651 -1.317
108 2HG2 THR 17 2HG2 THR 17 -11.955 12.032 -2.219
109 3HG2 THR 17 3HG2 THR 17 -10.386 12.656 -2.783
110 H LEU 18 H LEU 18 -7.445 13.435 0.193
111 HA LEU 18 HA LEU 18 -7.991 10.795 1.212
112 2HB LEU 18 2HB LEU 18 -5.509 10.669 1.334
113 HG LEU 18 HG LEU 18 -6.997 10.440 -0.923
114 1HD1 LEU 18 1HD1 LEU 18 -6.540 12.874 -1.428
115 2HD1 LEU 18 2HD1 LEU 18 -4.843 12.413 -1.706
116 3HD1 LEU 18 3HD1 LEU 18 -6.132 11.719 -2.719
117 1HD2 LEU 18 1HD2 LEU 18 -4.287 9.810 -0.086
118 2HD2 LEU 18 2HD2 LEU 18 -5.446 8.851 -1.038
119 3HD2 LEU 18 3HD2 LEU 18 -4.400 10.043 -1.847
120 H CYS 19 H CYS 19 -6.083 10.441 3.191
121 HA CYS 19 HA CYS 19 -7.250 12.085 5.297
122 2HB CYS 19 2HB CYS 19 -5.704 10.005 6.411
123 H GLY 20 H GLY 20 -5.005 12.782 3.297
124 1HA GLY 20 1HA GLY 20 -3.324 14.349 3.729
125 2HA GLY 20 2HA GLY 20 -3.080 13.671 5.327
126 H ALA 21 H ALA 21 -1.180 14.184 2.986
127 HA ALA 21 HA ALA 21 -0.442 11.761 1.825
128 1HB ALA 21 1HB ALA 21 0.264 14.365 1.536
129 2HB ALA 21 2HB ALA 21 1.672 13.768 2.446
130 3HB ALA 21 3HB ALA 21 1.230 13.014 0.896
131 H GLU 22 H GLU 22 -0.364 12.764 5.099
132 HA GLU 22 HA GLU 22 1.930 11.934 6.137
133 2HB GLU 22 2HB GLU 22 -0.517 10.865 7.501
134 2HG GLU 22 2HG GLU 22 0.713 12.803 9.079
135 H LEU 23 H LEU 23 -0.902 9.677 5.723
136 HA LEU 23 HA LEU 23 0.392 7.361 6.349
137 2HB LEU 23 2HB LEU 23 -1.316 6.342 4.701
138 HG LEU 23 HG LEU 23 -1.955 7.901 7.167
139 1HD1 LEU 23 1HD1 LEU 23 -3.784 8.117 5.220
140 2HD1 LEU 23 2HD1 LEU 23 -4.261 6.536 5.883
141 3HD1 LEU 23 3HD1 LEU 23 -4.208 7.965 6.942
142 1HD2 LEU 23 1HD2 LEU 23 -2.322 5.015 6.322
143 2HD2 LEU 23 2HD2 LEU 23 -1.080 5.670 7.416
144 3HD2 LEU 23 3HD2 LEU 23 -2.791 5.684 7.903
145 H VAL 24 H VAL 24 0.728 9.387 3.483
146 HA VAL 24 HA VAL 24 1.866 7.379 1.837
147 HB VAL 24 HB VAL 24 0.957 10.006 1.592
148 1HG1 VAL 24 1HG1 VAL 24 3.945 9.835 1.214
149 2HG1 VAL 24 2HG1 VAL 24 2.961 10.959 0.246
150 3HG1 VAL 24 3HG1 VAL 24 2.980 11.094 2.021
151 1HG2 VAL 24 1HG2 VAL 24 2.253 8.074 -0.347
152 2HG2 VAL 24 2HG2 VAL 24 0.520 8.381 -0.081
153 3HG2 VAL 24 3HG2 VAL 24 1.534 9.619 -0.860
154 H ASP 25 H ASP 25 3.181 9.963 4.000
155 HA ASP 25 HA ASP 25 5.836 9.424 3.384
156 2HB ASP 25 2HB ASP 25 5.856 10.379 6.008
157 H ALA 26 H ALA 26 3.428 7.717 5.210
158 HA ALA 26 HA ALA 26 5.101 6.556 7.179
159 1HB ALA 26 1HB ALA 26 2.388 6.748 6.689
160 2HB ALA 26 2HB ALA 26 2.720 5.038 6.324
161 3HB ALA 26 3HB ALA 26 3.138 5.704 7.921
162 H LEU 27 H LEU 27 3.646 5.258 4.105
163 HA LEU 27 HA LEU 27 4.950 2.837 4.142
164 2HB LEU 27 2HB LEU 27 4.399 2.675 1.831
165 HG LEU 27 HG LEU 27 2.450 3.327 3.679
166 1HD1 LEU 27 1HD1 LEU 27 2.620 5.671 2.500
167 2HD1 LEU 27 2HD1 LEU 27 1.625 4.878 1.255
168 3HD1 LEU 27 3HD1 LEU 27 1.040 4.975 2.933
169 1HD2 LEU 27 1HD2 LEU 27 2.648 1.994 1.097
170 2HD2 LEU 27 2HD2 LEU 27 1.715 1.556 2.548
171 3HD2 LEU 27 3HD2 LEU 27 1.040 2.706 1.370
172 H GLN 28 H GLN 28 6.059 6.054 2.980
173 HA GLN 28 HA GLN 28 8.507 4.911 2.046
174 2HB GLN 28 2HB GLN 28 8.426 7.846 2.337
175 2HG GLN 28 2HG GLN 28 9.778 7.515 0.548
176 1HE2 GLN 28 2HE2 GLN 28 11.288 6.063 0.981
177 2HE2 GLN 28 1HE2 GLN 28 11.193 4.360 0.680
178 H PHE 29 H PHE 29 7.213 5.922 5.056
179 HA PHE 29 HA PHE 29 9.502 7.093 6.197
180 2HB PHE 29 2HB PHE 29 6.794 6.166 6.875
181 HD1 PHE 29 HD1 PHE 29 9.924 6.159 8.923
182 HD2 PHE 29 HD2 PHE 29 5.955 4.729 8.462
183 HE1 PHE 29 HE1 PHE 29 10.203 4.726 10.964
184 HE2 PHE 29 HE2 PHE 29 6.235 3.296 10.504
185 HZ PHE 29 HZ PHE 29 8.355 3.312 11.731
186 H VAL 30 H VAL 30 8.348 3.720 5.825
187 HA VAL 30 HA VAL 30 10.587 2.790 7.446
188 HB VAL 30 HB VAL 30 7.951 1.764 6.608
189 1HG1 VAL 30 1HG1 VAL 30 10.423 0.073 6.502
190 2HG1 VAL 30 2HG1 VAL 30 8.929 -0.632 7.165
191 3HG1 VAL 30 3HG1 VAL 30 8.950 0.009 5.505
192 1HG2 VAL 30 1HG2 VAL 30 9.727 1.687 9.032
193 2HG2 VAL 30 2HG2 VAL 30 8.053 2.270 8.866
194 3HG2 VAL 30 3HG2 VAL 30 8.390 0.522 8.877
195 H CYS 31 H CYS 31 9.456 3.153 4.121
196 HA CYS 31 HA CYS 31 11.510 1.355 3.158
197 2HB CYS 31 2HB CYS 31 10.197 2.783 1.053
198 H GLY 32 H GLY 32 10.792 4.770 3.719
199 1HA GLY 32 1HA GLY 32 13.311 5.741 3.639
200 2HA GLY 32 2HA GLY 32 12.846 5.765 1.949
201 H ASP 33 H ASP 33 12.587 7.351 5.019
202 HA ASP 33 HA ASP 33 10.295 8.609 5.123
203 2HB ASP 33 2HB ASP 33 13.113 9.693 5.427
204 H ARG 34 H ARG 34 12.689 8.859 2.544
205 HA ARG 34 HA ARG 34 12.527 11.181 1.429
206 2HB ARG 34 2HB ARG 34 12.318 9.970 -0.858
207 2HG ARG 34 2HG ARG 34 14.376 8.403 -0.209
208 2HD ARG 34 2HD ARG 34 14.094 11.141 -0.907
209 HE ARG 34 HE ARG 34 14.978 12.153 1.020
210 1HH1 ARG 34 1HH1 ARG 34 16.847 9.276 0.236
211 2HH1 ARG 34 2HH1 ARG 34 18.088 9.610 1.398
212 1HH2 ARG 34 1HH2 ARG 34 16.615 12.594 2.552
213 2HH2 ARG 34 2HH2 ARG 34 17.955 11.510 2.724
214 H GLY 35 H GLY 35 9.774 8.960 1.794
215 1HA GLY 35 1HA GLY 35 7.574 9.795 1.919
216 2HA GLY 35 2HA GLY 35 7.990 11.079 0.801
217 H PHE 36 H PHE 36 6.113 8.434 0.983
218 HA PHE 36 HA PHE 36 6.658 7.651 -1.794
219 2HB PHE 36 2HB PHE 36 5.579 6.210 0.688
220 HD1 PHE 36 HD1 PHE 36 6.684 4.839 -2.568
221 HD2 PHE 36 HD2 PHE 36 3.456 5.333 0.142
222 HE1 PHE 36 HE1 PHE 36 5.311 3.220 -3.908
223 HE2 PHE 36 HE2 PHE 36 2.084 3.713 -1.197
224 HZ PHE 36 HZ PHE 36 3.027 2.676 -3.206
225 H TYR 37 H TYR 37 4.459 6.534 -2.697
226 HA TYR 37 HA TYR 37 2.419 8.603 -2.317
227 2HB TYR 37 2HB TYR 37 2.486 6.427 -4.454
228 HD1 TYR 37 HD1 TYR 37 0.339 8.439 -3.224
229 HD2 TYR 37 HD2 TYR 37 2.807 8.452 -6.719
230 HE1 TYR 37 HE1 TYR 37 -1.344 9.926 -4.416
231 HE2 TYR 37 HE2 TYR 37 1.115 9.939 -7.899
232 HH TYR 37 HH TYR 37 -0.983 10.683 -7.825
233 H PHE 38 H PHE 38 0.662 6.503 -3.878
234 HA PHE 38 HA PHE 38 0.137 4.647 -1.710
235 2HB PHE 38 2HB PHE 38 -2.366 5.395 -1.995
236 HD1 PHE 38 HD1 PHE 38 -0.103 5.269 0.084
237 HD2 PHE 38 HD2 PHE 38 -2.506 8.459 -1.351
238 HE1 PHE 38 HE1 PHE 38 0.202 6.479 2.261
239 HE2 PHE 38 HE2 PHE 38 -2.201 9.669 0.827
240 HZ PHE 38 HZ PHE 38 -0.850 8.664 2.607
241 H ASN 39 H ASN 39 -2.597 5.103 -3.682
242 HA ASN 39 HA ASN 39 -2.017 2.670 -5.038
243 2HB ASN 39 2HB ASN 39 -4.395 4.538 -4.814
244 1HD2 ASN 39 2HD2 ASN 39 -6.272 4.147 -5.987
245 2HD2 ASN 39 1HD2 ASN 39 -6.265 3.414 -7.557
246 H LYS 40 H LYS 40 -0.210 3.407 -6.435
247 HA LYS 40 HA LYS 40 -0.993 5.355 -8.477
248 2HB LYS 40 2HB LYS 40 1.177 6.017 -8.603
249 2HG LYS 40 2HG LYS 40 0.336 5.645 -6.013
250 2HD LYS 40 2HD LYS 40 1.682 3.429 -6.046
251 2HE LYS 40 2HE LYS 40 4.112 5.091 -5.470
252 1HZ LYS 40 1HZ LYS 40 3.605 2.499 -5.615
253 2HZ LYS 40 2HZ LYS 40 4.161 2.754 -7.129
254 3HZ LYS 40 3HZ LYS 40 5.090 3.139 -5.843
255 HA PRO 41 HA PRO 41 -1.444 1.712 -10.910
256 2HB PRO 41 2HB PRO 41 -3.662 2.115 -11.378
257 2HG PRO 41 2HG PRO 41 -4.388 4.238 -10.845
258 2HD PRO 41 2HD PRO 41 -2.858 4.798 -9.223
259 H THR 42 H THR 42 0.994 2.861 -10.920
260 HA THR 42 HA THR 42 1.892 4.157 -13.087
261 HB THR 42 HB THR 42 3.072 1.723 -11.652
262 HG1 THR 42 HG1 THR 42 3.181 4.650 -11.506
263 1HG2 THR 42 1HG2 THR 42 4.080 2.976 -13.989
264 2HG2 THR 42 2HG2 THR 42 4.942 3.760 -12.643
265 3HG2 THR 42 3HG2 THR 42 5.012 1.992 -12.835
266 H GLY 43 H GLY 43 2.870 0.802 -13.413
267 1HA GLY 43 1HA GLY 43 2.863 0.587 -16.065
268 2HA GLY 43 2HA GLY 43 2.414 -0.745 -15.019
269 H TYR 44 H TYR 44 0.037 -0.846 -14.311
270 HA TYR 44 HA TYR 44 -1.811 0.555 -16.025
271 2HB TYR 44 2HB TYR 44 -1.857 -2.494 -15.969
272 HD1 TYR 44 HD1 TYR 44 -2.096 0.526 -18.193
273 HD2 TYR 44 HD2 TYR 44 -3.616 -3.351 -17.214
274 HE1 TYR 44 HE1 TYR 44 -3.910 0.784 -19.956
275 HE2 TYR 44 HE2 TYR 44 -5.425 -3.080 -18.980
276 HH TYR 44 HH TYR 44 -6.548 -0.677 -20.051
277 H GLY 45 H GLY 45 -3.842 0.720 -15.088
278 1HA GLY 45 1HA GLY 45 -4.309 0.602 -12.488
279 2HA GLY 45 2HA GLY 45 -5.554 0.224 -13.662
280 H SER 46 H SER 46 -5.578 -2.140 -14.497
281 HA SER 46 HA SER 46 -5.439 -3.792 -12.160
282 2HB SER 46 2HB SER 46 -6.361 -4.530 -14.970
283 HG SER 46 HG SER 46 -7.485 -6.183 -13.932
284 H SER 47 H SER 47 -2.903 -3.370 -12.391
285 HA SER 47 HA SER 47 -1.820 -5.812 -13.212
286 2HB SER 47 2HB SER 47 -0.670 -3.521 -14.815
287 HG SER 47 HG SER 47 0.201 -5.147 -16.015
288 H SER 48 H SER 48 -1.597 -5.099 -10.774
289 HA SER 48 HA SER 48 1.107 -4.333 -10.454
290 2HB SER 48 2HB SER 48 0.530 -2.431 -8.827
291 HG SER 48 HG SER 48 0.233 -0.878 -10.560
292 H ARG 49 H ARG 49 1.840 -4.715 -8.196
293 HA ARG 49 HA ARG 49 1.006 -6.942 -7.097
294 2HB ARG 49 2HB ARG 49 1.747 -5.811 -4.803
295 2HG ARG 49 2HG ARG 49 3.365 -6.292 -7.304
296 2HD ARG 49 2HD ARG 49 5.432 -5.936 -5.778
297 HE ARG 49 HE ARG 49 3.997 -3.998 -7.345
298 1HH1 ARG 49 1HH1 ARG 49 6.588 -4.218 -4.974
299 2HH1 ARG 49 2HH1 ARG 49 7.388 -2.785 -5.527
300 1HH2 ARG 49 1HH2 ARG 49 5.052 -2.107 -8.074
301 2HH2 ARG 49 2HH2 ARG 49 6.508 -1.576 -7.302
302 H ARG 50 H ARG 50 -0.985 -7.661 -6.406
303 HA ARG 50 HA ARG 50 -3.218 -6.366 -6.190
304 2HB ARG 50 2HB ARG 50 -3.941 -8.024 -4.406
305 2HG ARG 50 2HG ARG 50 -2.206 -9.724 -6.103
306 2HD ARG 50 2HD ARG 50 -5.096 -9.618 -6.672
307 HE ARG 50 HE ARG 50 -4.484 -11.846 -6.929
308 1HH1 ARG 50 1HH1 ARG 50 -2.632 -10.498 -4.257
309 2HH1 ARG 50 2HH1 ARG 50 -1.782 -11.972 -3.935
310 1HH2 ARG 50 2HH2 ARG 50 -3.363 -13.791 -6.503
311 2HH2 ARG 50 1HH2 ARG 50 -2.201 -13.858 -5.221
312 H ALA 51 H ALA 51 -3.258 -4.223 -5.403
313 HA ALA 51 HA ALA 51 -3.371 -3.948 -2.560
314 1HB ALA 51 1HB ALA 51 -0.901 -3.828 -3.049
315 2HB ALA 51 2HB ALA 51 -1.225 -2.404 -4.066
316 3HB ALA 51 3HB ALA 51 -1.569 -2.348 -2.320
317 H CYS 52 H CYS 52 -2.714 -0.946 -3.070
318 HA CYS 52 HA CYS 52 -3.780 0.887 -3.641
319 2HB CYS 52 2HB CYS 52 -4.581 -0.911 -5.863
320 HG CYS 52 HG CYS 52 -6.777 -0.196 -6.351
321 H GLN 53 H GLN 53 -6.358 -1.597 -4.306
322 HA GLN 53 HA GLN 53 -8.456 -0.385 -3.294
323 2HB GLN 53 2HB GLN 53 -7.615 -3.196 -3.547
324 2HG GLN 53 2HG GLN 53 -9.580 -2.357 -1.389
325 1HE2 GLN 53 2HE2 GLN 53 -11.443 -3.329 -1.190
326 2HE2 GLN 53 1HE2 GLN 53 -11.962 -4.780 -1.981
327 H THR 54 H THR 54 -5.698 -1.570 -1.429
328 HA THR 54 HA THR 54 -7.075 -1.356 1.100
329 HB THR 54 HB THR 54 -4.303 -2.095 0.103
330 HG1 THR 54 HG1 THR 54 -6.381 -3.188 1.868
331 1HG2 THR 54 1HG2 THR 54 -5.124 -1.232 2.888
332 2HG2 THR 54 2HG2 THR 54 -4.042 -2.635 2.714
333 3HG2 THR 54 3HG2 THR 54 -3.551 -1.047 2.077
334 H GLY 55 H GLY 55 -7.186 1.029 -0.562
335 1HA GLY 55 1HA GLY 55 -5.773 3.106 -0.490
336 2HA GLY 55 2HA GLY 55 -7.285 3.194 0.390
337 H ILE 56 H ILE 56 -3.752 2.853 0.654
338 HA ILE 56 HA ILE 56 -3.564 2.434 3.391
339 HB ILE 56 HB ILE 56 -1.852 2.776 1.236
340 2HG1 ILE 56 2HG1 ILE 56 -1.037 2.505 4.140
341 1HG2 ILE 56 1HG2 ILE 56 -1.908 5.251 1.884
342 2HG2 ILE 56 2HG2 ILE 56 -0.996 4.768 3.334
343 3HG2 ILE 56 3HG2 ILE 56 -0.313 4.478 1.716
344 1HD1 ILE 56 1HD1 ILE 56 -2.514 0.665 2.280
345 2HD1 ILE 56 2HD1 ILE 56 -1.216 -0.040 3.273
346 3HD1 ILE 56 3HD1 ILE 56 -2.588 0.783 4.054
347 H VAL 57 H VAL 57 -5.059 4.983 1.775
348 HA VAL 57 HA VAL 57 -4.491 6.818 3.998
349 HB VAL 57 HB VAL 57 -5.826 8.091 1.823
350 1HG1 VAL 57 1HG1 VAL 57 -4.367 9.159 3.509
351 2HG1 VAL 57 2HG1 VAL 57 -2.959 8.333 2.798
352 3HG1 VAL 57 3HG1 VAL 57 -3.861 9.536 1.845
353 1HG2 VAL 57 1HG2 VAL 57 -3.355 6.528 1.001
354 2HG2 VAL 57 2HG2 VAL 57 -5.008 6.305 0.380
355 3HG2 VAL 57 3HG2 VAL 57 -4.128 7.815 0.045
356 H ASP 58 H ASP 58 -7.062 5.539 1.788
357 HA ASP 58 HA ASP 58 -9.054 6.570 3.574
358 2HB ASP 58 2HB ASP 58 -9.406 4.773 1.133
359 H GLU 59 H GLU 59 -7.331 3.578 2.766
360 HA GLU 59 HA GLU 59 -9.254 1.953 4.155
361 2HB GLU 59 2HB GLU 59 -6.610 0.843 3.273
362 2HG GLU 59 2HG GLU 59 -9.210 -0.136 3.939
363 H CYS 60 H CYS 60 -6.271 3.692 4.746
364 HA CYS 60 HA CYS 60 -5.525 2.093 7.001
365 2HB CYS 60 2HB CYS 60 -4.017 4.263 7.314
366 H CYS 61 H CYS 61 -7.128 5.247 6.285
367 HA CYS 61 HA CYS 61 -7.359 5.985 9.002
368 2HB CYS 61 2HB CYS 61 -9.350 7.338 7.608
369 H PHE 62 H PHE 62 -9.234 4.062 6.658
370 HA PHE 62 HA PHE 62 -11.509 3.936 8.445
371 2HB PHE 62 2HB PHE 62 -10.800 2.607 5.760
372 HD1 PHE 62 HD1 PHE 62 -11.914 0.580 7.074
373 HD2 PHE 62 HD2 PHE 62 -13.972 4.067 5.805
374 HE1 PHE 62 HE1 PHE 62 -14.087 -0.674 7.152
375 HE2 PHE 62 HE2 PHE 62 -16.145 2.813 5.883
376 HZ PHE 62 HZ PHE 62 -16.176 0.457 6.556
377 H ARG 63 H ARG 63 -9.004 1.746 7.005
378 HA ARG 63 HA ARG 63 -9.881 -0.267 8.897
379 2HB ARG 63 2HB ARG 63 -7.759 -0.905 6.874
380 2HG ARG 63 2HG ARG 63 -10.276 -2.212 7.971
381 2HD ARG 63 2HD ARG 63 -8.506 -3.454 5.831
382 HE ARG 63 HE ARG 63 -10.596 -4.473 7.416
383 1HH1 ARG 63 1HH1 ARG 63 -9.911 -4.157 3.979
384 2HH1 ARG 63 2HH1 ARG 63 -10.832 -5.555 3.536
385 1HH2 ARG 63 1HH2 ARG 63 -11.811 -6.318 6.833
386 2HH2 ARG 63 2HH2 ARG 63 -11.920 -6.793 5.171
387 H SER 64 H SER 64 -8.839 0.403 10.834
388 HA SER 64 HA SER 64 -6.654 1.610 11.370
389 2HB SER 64 2HB SER 64 -6.170 -0.240 13.182
390 HG SER 64 HG SER 64 -8.795 0.970 12.966
391 H CYS 65 H CYS 65 -4.899 1.671 9.942
392 HA CYS 65 HA CYS 65 -3.449 -0.861 9.679
393 2HB CYS 65 2HB CYS 65 -4.632 0.555 7.597
394 H ASP 66 H ASP 66 -1.929 -0.472 11.325
395 HA ASP 66 HA ASP 66 -0.927 2.007 11.949
396 2HB ASP 66 2HB ASP 66 0.735 0.815 13.250
397 H LEU 67 H LEU 67 2.006 0.695 11.810
398 HA LEU 67 HA LEU 67 2.599 1.858 9.202
399 2HB LEU 67 2HB LEU 67 3.723 2.228 11.661
400 HG LEU 67 HG LEU 67 4.917 -0.142 10.973
401 1HD1 LEU 67 1HD1 LEU 67 6.060 1.781 9.231
402 2HD1 LEU 67 2HD1 LEU 67 7.286 1.382 10.458
403 3HD1 LEU 67 3HD1 LEU 67 6.545 0.087 9.487
404 1HD2 LEU 67 1HD2 LEU 67 4.950 1.278 13.120
405 2HD2 LEU 67 2HD2 LEU 67 6.356 0.245 12.768
406 3HD2 LEU 67 3HD2 LEU 67 6.437 1.996 12.455
407 H ARG 68 H ARG 68 2.024 -1.163 10.700
408 HA ARG 68 HA ARG 68 3.939 -2.733 9.519
409 2HB ARG 68 2HB ARG 68 2.302 -4.604 9.870
410 2HG ARG 68 2HG ARG 68 2.073 -2.598 12.154
411 2HD ARG 68 2HD ARG 68 1.570 -5.474 11.804
412 HE ARG 68 HE ARG 68 2.952 -5.219 14.323
413 1HH1 ARG 68 1HH1 ARG 68 3.552 -5.701 10.889
414 2HH1 ARG 68 2HH1 ARG 68 5.046 -6.540 11.137
415 1HH2 ARG 68 1HH2 ARG 68 4.923 -6.326 14.651
416 2HH2 ARG 68 2HH2 ARG 68 5.832 -6.898 13.292
417 H ARG 69 H ARG 69 0.755 -1.537 8.328
418 HA ARG 69 HA ARG 69 0.764 -3.108 6.021
419 2HB ARG 69 2HB ARG 69 -0.690 -0.621 5.625
420 2HG ARG 69 2HG ARG 69 -1.357 -2.886 4.784
421 2HD ARG 69 2HD ARG 69 -1.265 -3.471 7.692
422 HE ARG 69 HE ARG 69 -3.833 -3.611 6.503
423 1HH1 ARG 69 1HH1 ARG 69 -1.588 -5.771 8.139
424 2HH1 ARG 69 2HH1 ARG 69 -2.833 -6.800 8.763
425 1HH2 ARG 69 1HH2 ARG 69 -5.477 -4.969 7.326
426 2HH2 ARG 69 2HH2 ARG 69 -5.060 -6.341 8.298
427 H LEU 70 H LEU 70 1.456 0.426 6.586
428 HA LEU 70 HA LEU 70 2.124 1.159 4.061
429 2HB LEU 70 2HB LEU 70 1.920 2.671 5.952
430 HG LEU 70 HG LEU 70 3.276 1.358 7.629
431 1HD1 LEU 70 1HD1 LEU 70 5.339 1.812 5.654
432 2HD1 LEU 70 2HD1 LEU 70 5.823 2.461 7.239
433 3HD1 LEU 70 3HD1 LEU 70 5.342 0.754 7.086
434 1HD2 LEU 70 1HD2 LEU 70 2.583 3.834 7.758
435 2HD2 LEU 70 2HD2 LEU 70 3.856 3.254 8.858
436 3HD2 LEU 70 3HD2 LEU 70 4.292 4.186 7.406
437 H GLU 71 H GLU 71 3.995 -0.814 6.368
438 HA GLU 71 HA GLU 71 6.369 -0.657 4.845
439 2HB GLU 71 2HB GLU 71 5.666 -1.528 7.409
440 2HG GLU 71 2HG GLU 71 6.589 -3.868 5.679
441 H MET 72 H MET 72 3.490 -2.750 4.922
442 HA MET 72 HA MET 72 4.590 -4.885 3.520
443 2HB MET 72 2HB MET 72 1.851 -4.770 2.846
444 2HG MET 72 2HG MET 72 1.530 -6.278 4.806
445 1HE MET 72 1HE MET 72 4.392 -7.311 5.640
446 2HE MET 72 2HE MET 72 4.192 -8.919 4.903
447 3HE MET 72 3HE MET 72 5.470 -7.826 4.321
448 H TYR 73 H TYR 73 2.557 -2.086 2.394
449 HA TYR 73 HA TYR 73 2.694 -2.793 -0.323
450 2HB TYR 73 2HB TYR 73 2.524 0.077 0.644
451 HD1 TYR 73 HD1 TYR 73 2.530 -1.647 -2.084
452 HD2 TYR 73 HD2 TYR 73 -0.457 0.320 0.264
453 HE1 TYR 73 HE1 TYR 73 1.083 -1.357 -4.154
454 HE2 TYR 73 HE2 TYR 73 -1.894 0.603 -1.814
455 HH TYR 73 HH TYR 73 -0.824 0.470 -4.775
456 H CYS 74 H CYS 74 5.049 -1.444 1.840
457 HA CYS 74 HA CYS 74 6.610 0.257 1.081
458 2HB CYS 74 2HB CYS 74 8.252 -2.001 0.376
459 H ALA 75 H ALA 75 4.929 0.482 -1.036
460 HA ALA 75 HA ALA 75 6.024 -0.626 -3.429
461 1HB ALA 75 1HB ALA 75 3.695 0.931 -2.565
462 2HB ALA 75 2HB ALA 75 4.353 1.501 -4.117
463 3HB ALA 75 3HB ALA 75 3.866 -0.200 -3.928
464 HA PRO 76 HA PRO 76 8.943 2.467 -4.227
465 2HB PRO 76 2HB PRO 76 10.026 1.146 -5.770
466 2HG PRO 76 2HG PRO 76 8.732 -0.536 -6.675
467 2HD PRO 76 2HD PRO 76 7.170 -0.790 -5.008
468 H LEU 77 H LEU 77 8.258 4.467 -3.682
469 HA LEU 77 HA LEU 77 6.134 5.778 -4.575
470 2HB LEU 77 2HB LEU 77 7.951 6.503 -2.957
471 HG LEU 77 HG LEU 77 9.452 6.927 -5.350
472 1HD1 LEU 77 1HD1 LEU 77 8.227 9.375 -4.258
473 2HD1 LEU 77 2HD1 LEU 77 9.994 9.442 -4.455
474 3HD1 LEU 77 3HD1 LEU 77 8.957 9.058 -5.850
475 1HD2 LEU 77 1HD2 LEU 77 9.833 7.122 -2.409
476 2HD2 LEU 77 2HD2 LEU 77 10.747 6.210 -3.634
477 3HD2 LEU 77 3HD2 LEU 77 11.019 7.959 -3.440
478 H LYS 78 H LYS 78 5.608 7.287 -6.286
479 HA LYS 78 HA LYS 78 7.174 6.756 -8.715
480 2HB LYS 78 2HB LYS 78 4.205 7.334 -8.605
481 2HG LYS 78 2HG LYS 78 5.429 5.741 -10.789
482 2HD LYS 78 2HD LYS 78 3.050 7.014 -10.438
483 2HE LYS 78 2HE LYS 78 4.646 8.927 -12.194
484 1HZ LYS 78 1HZ LYS 78 1.934 8.816 -11.117
485 2HZ LYS 78 2HZ LYS 78 2.595 10.243 -11.553
486 3HZ LYS 78 3HZ LYS 78 2.409 9.058 -12.660
487 HA PRO 79 HA PRO 79 7.560 11.140 -8.007
488 2HB PRO 79 2HB PRO 79 9.726 11.076 -7.229
489 2HG PRO 79 2HG PRO 79 10.786 9.045 -7.497
490 2HD PRO 79 2HD PRO 79 8.965 7.644 -7.592
491 H ALA 80 H ALA 80 7.117 12.869 -9.308
492 HA ALA 80 HA ALA 80 7.812 12.694 -12.068
493 1HB ALA 80 1HB ALA 80 5.258 11.624 -11.170
494 2HB ALA 80 2HB ALA 80 5.018 13.013 -12.257
495 3HB ALA 80 3HB ALA 80 5.978 11.615 -12.798
496 H LYS 81 H LYS 81 5.725 14.148 -9.501
497 HA LYS 81 HA LYS 81 6.882 16.650 -9.706
498 2HB LYS 81 2HB LYS 81 4.401 16.327 -11.406
499 2HG LYS 81 2HG LYS 81 5.217 19.001 -11.503
500 2HD LYS 81 2HD LYS 81 3.104 18.884 -9.619
501 2HE LYS 81 2HE LYS 81 2.728 18.713 -12.633
502 1HZ LYS 81 1HZ LYS 81 1.303 19.788 -10.360
503 2HZ LYS 81 2HZ LYS 81 1.225 20.643 -11.749
504 3HZ LYS 81 3HZ LYS 81 0.722 19.090 -11.718
505 H SER 82 H SER 82 6.077 14.722 -7.740
506 HA SER 82 HA SER 82 3.861 14.726 -6.487
507 2HB SER 82 2HB SER 82 6.292 15.771 -4.980
508 HG SER 82 HG SER 82 3.948 14.281 -4.337
509 H ALA 83 H ALA 83 6.042 17.549 -5.739
510 HA ALA 83 HA ALA 83 3.938 19.087 -4.684
511 1HB ALA 83 1HB ALA 83 6.749 19.728 -5.646
512 2HB ALA 83 2HB ALA 83 5.684 20.931 -4.880
513 3HB ALA 83 3HB ALA 83 6.193 19.487 -3.973
Start of MODEL 2
1 H MET 1 H MET 1 2.857 14.325 -0.698
2 HA MET 1 HA MET 1 5.361 14.104 -0.762
3 2HB MET 1 2HB MET 1 4.091 12.640 -3.094
4 2HG MET 1 2HG MET 1 5.103 11.050 -0.855
5 1HE MET 1 1HE MET 1 3.890 9.660 -2.093
6 2HE MET 1 2HE MET 1 3.906 9.425 -3.858
7 3HE MET 1 3HE MET 1 4.980 8.455 -2.821
8 H PHE 2 H PHE 2 7.182 14.848 -1.778
9 HA PHE 2 HA PHE 2 8.516 15.680 -3.328
10 2HB PHE 2 2HB PHE 2 6.643 15.535 -5.627
11 HD1 PHE 2 HD1 PHE 2 9.481 13.882 -3.871
12 HD2 PHE 2 HD2 PHE 2 7.789 15.034 -7.588
13 HE1 PHE 2 HE1 PHE 2 11.587 13.184 -5.046
14 HE2 PHE 2 HE2 PHE 2 9.894 14.336 -8.762
15 HZ PHE 2 HZ PHE 2 11.768 13.420 -7.477
16 HA PRO 3 HA PRO 3 7.114 19.766 -3.707
17 2HB PRO 3 2HB PRO 3 9.218 20.598 -3.285
18 2HG PRO 3 2HG PRO 3 10.938 19.112 -3.675
19 2HD PRO 3 2HD PRO 3 9.814 17.119 -3.447
20 H ALA 4 H ALA 4 8.930 19.523 -6.699
21 HA ALA 4 HA ALA 4 7.627 20.903 -8.393
22 1HB ALA 4 1HB ALA 4 9.311 19.223 -9.026
23 2HB ALA 4 2HB ALA 4 8.105 17.927 -8.836
24 3HB ALA 4 3HB ALA 4 7.906 19.148 -10.116
25 H MET 5 H MET 5 6.286 17.562 -7.867
26 HA MET 5 HA MET 5 3.693 18.684 -8.532
27 2HB MET 5 2HB MET 5 3.067 16.246 -8.829
28 2HG MET 5 2HG MET 5 4.512 17.758 -10.567
29 1HE MET 5 1HE MET 5 5.324 14.109 -10.658
30 2HE MET 5 2HE MET 5 7.084 13.979 -10.428
31 3HE MET 5 3HE MET 5 6.023 14.271 -9.029
32 HA PRO 6 HA PRO 6 2.907 18.326 -4.202
33 2HB PRO 6 2HB PRO 6 2.320 20.541 -3.986
34 2HG PRO 6 2HG PRO 6 1.936 21.634 -5.981
35 2HD PRO 6 2HD PRO 6 3.181 20.330 -7.406
36 H LEU 7 H LEU 7 2.567 16.009 -5.027
37 HA LEU 7 HA LEU 7 -0.215 15.388 -5.375
38 2HB LEU 7 2HB LEU 7 1.657 14.255 -6.566
39 HG LEU 7 HG LEU 7 2.534 13.591 -3.883
40 1HD1 LEU 7 1HD1 LEU 7 1.487 11.365 -5.561
41 2HD1 LEU 7 2HD1 LEU 7 3.049 11.118 -4.744
42 3HD1 LEU 7 3HD1 LEU 7 1.600 11.523 -3.791
43 1HD2 LEU 7 1HD2 LEU 7 3.902 14.480 -5.782
44 2HD2 LEU 7 2HD2 LEU 7 4.583 13.042 -4.984
45 3HD2 LEU 7 3HD2 LEU 7 3.765 12.882 -6.556
46 H SER 8 H SER 8 -0.390 16.712 -3.134
47 HA SER 8 HA SER 8 -1.060 14.696 -1.265
48 2HB SER 8 2HB SER 8 0.996 14.706 -0.248
49 HG SER 8 HG SER 8 2.191 15.974 -1.658
50 H SER 9 H SER 9 -2.840 16.241 -2.489
51 HA SER 9 HA SER 9 -3.623 18.067 -0.401
52 2HB SER 9 2HB SER 9 -4.336 19.460 -2.739
53 HG SER 9 HG SER 9 -3.419 21.009 -1.590
54 H LEU 10 H LEU 10 -5.981 18.597 -0.529
55 HA LEU 10 HA LEU 10 -8.096 18.273 -1.250
56 2HB LEU 10 2HB LEU 10 -7.361 15.955 -2.988
57 HG LEU 10 HG LEU 10 -9.643 17.705 -2.723
58 1HD1 LEU 10 1HD1 LEU 10 -8.236 18.880 -4.564
59 2HD1 LEU 10 2HD1 LEU 10 -8.746 17.513 -5.584
60 3HD1 LEU 10 3HD1 LEU 10 -9.967 18.575 -4.842
61 1HD2 LEU 10 1HD2 LEU 10 -9.373 15.123 -3.031
62 2HD2 LEU 10 2HD2 LEU 10 -10.778 15.968 -3.722
63 3HD2 LEU 10 3HD2 LEU 10 -9.406 15.522 -4.765
64 H PHE 11 H PHE 11 -5.913 16.366 0.378
65 HA PHE 11 HA PHE 11 -7.928 15.187 1.949
66 2HB PHE 11 2HB PHE 11 -6.191 13.074 0.704
67 HD1 PHE 11 HD1 PHE 11 -8.275 13.595 3.092
68 HD2 PHE 11 HD2 PHE 11 -8.416 11.604 -0.652
69 HE1 PHE 11 HE1 PHE 11 -10.085 12.090 3.961
70 HE2 PHE 11 HE2 PHE 11 -10.227 10.098 0.218
71 HZ PHE 11 HZ PHE 11 -11.039 10.359 2.514
72 H VAL 12 H VAL 12 -4.700 16.029 1.100
73 HA VAL 12 HA VAL 12 -3.664 14.768 3.536
74 HB VAL 12 HB VAL 12 -2.506 15.580 0.912
75 1HG1 VAL 12 1HG1 VAL 12 -1.155 15.916 3.554
76 2HG1 VAL 12 2HG1 VAL 12 -0.209 15.194 2.230
77 3HG1 VAL 12 3HG1 VAL 12 -0.934 16.807 2.028
78 1HG2 VAL 12 1HG2 VAL 12 -3.095 13.172 2.124
79 2HG2 VAL 12 2HG2 VAL 12 -1.987 13.400 0.749
80 3HG2 VAL 12 3HG2 VAL 12 -1.345 13.333 2.408
81 H ASN 13 H ASN 13 -4.077 16.114 5.241
82 HA ASN 13 HA ASN 13 -3.806 18.949 4.782
83 2HB ASN 13 2HB ASN 13 -4.375 18.036 7.551
84 1HD2 ASN 13 2HD2 ASN 13 -5.727 19.437 8.534
85 2HD2 ASN 13 1HD2 ASN 13 -6.398 20.853 7.797
86 H GLY 14 H GLY 14 -2.184 16.152 6.203
87 1HA GLY 14 1HA GLY 14 0.264 16.607 6.453
88 2HA GLY 14 2HA GLY 14 -0.207 17.916 7.519
89 HA PRO 15 HA PRO 15 -0.369 15.066 10.784
90 2HB PRO 15 2HB PRO 15 -0.317 16.744 12.361
91 2HG PRO 15 2HG PRO 15 -1.059 18.794 11.609
92 2HD PRO 15 2HD PRO 15 -0.687 18.562 9.352
93 H ARG 16 H ARG 16 -2.364 14.437 12.629
94 HA ARG 16 HA ARG 16 -3.781 12.639 10.987
95 2HB ARG 16 2HB ARG 16 -3.214 11.810 13.149
96 2HG ARG 16 2HG ARG 16 -4.556 13.449 15.034
97 2HD ARG 16 2HD ARG 16 -2.385 12.225 15.350
98 HE ARG 16 HE ARG 16 -0.988 14.439 13.922
99 1HH1 ARG 16 1HH1 ARG 16 -1.780 11.019 14.159
100 2HH1 ARG 16 2HH1 ARG 16 -0.560 10.527 13.031
101 1HH2 ARG 16 1HH2 ARG 16 0.621 13.792 12.434
102 2HH2 ARG 16 2HH2 ARG 16 0.814 12.116 12.044
103 H THR 17 H THR 17 -4.550 14.950 9.874
104 HA THR 17 HA THR 17 -7.067 15.756 11.151
105 HB THR 17 HB THR 17 -5.537 17.043 8.834
106 HG1 THR 17 HG1 THR 17 -4.233 16.993 10.766
107 1HG2 THR 17 1HG2 THR 17 -7.988 17.679 10.371
108 2HG2 THR 17 2HG2 THR 17 -6.780 18.983 10.430
109 3HG2 THR 17 3HG2 THR 17 -7.389 18.404 8.860
110 H LEU 18 H LEU 18 -6.041 15.552 7.692
111 HA LEU 18 HA LEU 18 -8.661 14.660 6.996
112 2HB LEU 18 2HB LEU 18 -7.634 14.524 4.708
113 HG LEU 18 HG LEU 18 -7.463 17.089 6.282
114 1HD1 LEU 18 1HD1 LEU 18 -5.918 16.600 4.011
115 2HD1 LEU 18 2HD1 LEU 18 -7.333 17.500 3.413
116 3HD1 LEU 18 3HD1 LEU 18 -6.328 18.182 4.716
117 1HD2 LEU 18 1HD2 LEU 18 -9.524 15.681 4.879
118 2HD2 LEU 18 2HD2 LEU 18 -9.623 17.202 5.797
119 3HD2 LEU 18 3HD2 LEU 18 -9.222 17.233 4.064
120 H CYS 19 H CYS 19 -6.578 12.973 4.985
121 HA CYS 19 HA CYS 19 -7.298 10.506 6.319
122 2HB CYS 19 2HB CYS 19 -5.834 10.185 3.842
123 H GLY 20 H GLY 20 -5.113 12.538 7.177
124 1HA GLY 20 1HA GLY 20 -3.116 12.359 8.206
125 2HA GLY 20 2HA GLY 20 -3.166 10.626 7.958
126 H ALA 21 H ALA 21 -1.161 13.074 7.449
127 HA ALA 21 HA ALA 21 -0.593 12.579 4.641
128 1HB ALA 21 1HB ALA 21 -0.581 14.868 5.958
129 2HB ALA 21 2HB ALA 21 1.045 14.341 6.456
130 3HB ALA 21 3HB ALA 21 0.664 14.538 4.729
131 H GLU 22 H GLU 22 -0.038 11.010 7.524
132 HA GLU 22 HA GLU 22 2.737 10.532 7.230
133 2HB GLU 22 2HB GLU 22 0.846 8.761 8.803
134 2HG GLU 22 2HG GLU 22 3.741 9.594 8.904
135 H LEU 23 H LEU 23 -0.257 8.524 6.734
136 HA LEU 23 HA LEU 23 0.608 6.194 5.944
137 2HB LEU 23 2HB LEU 23 -1.137 6.253 4.113
138 HG LEU 23 HG LEU 23 -1.898 7.210 6.881
139 1HD1 LEU 23 1HD1 LEU 23 -3.499 7.485 4.648
140 2HD1 LEU 23 2HD1 LEU 23 -4.020 5.926 5.332
141 3HD1 LEU 23 3HD1 LEU 23 -4.054 7.396 6.337
142 1HD2 LEU 23 1HD2 LEU 23 -1.748 4.513 5.544
143 2HD2 LEU 23 2HD2 LEU 23 -1.013 5.057 7.071
144 3HD2 LEU 23 3HD2 LEU 23 -2.771 4.795 6.972
145 H VAL 24 H VAL 24 0.963 9.180 3.947
146 HA VAL 24 HA VAL 24 2.315 7.751 1.870
147 HB VAL 24 HB VAL 24 1.172 9.550 1.055
148 1HG1 VAL 24 1HG1 VAL 24 1.840 10.843 3.667
149 2HG1 VAL 24 2HG1 VAL 24 1.515 11.898 2.271
150 3HG1 VAL 24 3HG1 VAL 24 0.285 10.728 2.808
151 1HG2 VAL 24 1HG2 VAL 24 3.880 9.665 0.818
152 2HG2 VAL 24 2HG2 VAL 24 2.752 10.754 -0.027
153 3HG2 VAL 24 3HG2 VAL 24 3.538 11.281 1.482
154 H ASP 25 H ASP 25 3.224 9.961 4.584
155 HA ASP 25 HA ASP 25 5.925 10.000 3.934
156 2HB ASP 25 2HB ASP 25 5.052 10.178 6.810
157 H ALA 26 H ALA 26 3.807 7.663 5.496
158 HA ALA 26 HA ALA 26 5.710 6.345 7.096
159 1HB ALA 26 1HB ALA 26 3.004 6.270 6.803
160 2HB ALA 26 2HB ALA 26 3.459 4.791 5.924
161 3HB ALA 26 3HB ALA 26 3.943 5.001 7.624
162 H LEU 27 H LEU 27 4.261 5.405 3.890
163 HA LEU 27 HA LEU 27 6.124 3.352 3.468
164 2HB LEU 27 2HB LEU 27 5.177 3.179 1.302
165 HG LEU 27 HG LEU 27 3.446 3.399 3.558
166 1HD1 LEU 27 1HD1 LEU 27 2.693 5.419 1.987
167 2HD1 LEU 27 2HD1 LEU 27 1.822 4.103 1.163
168 3HD1 LEU 27 3HD1 LEU 27 1.529 4.419 2.889
169 1HD2 LEU 27 1HD2 LEU 27 3.925 1.361 2.282
170 2HD2 LEU 27 2HD2 LEU 27 2.177 1.673 2.396
171 3HD2 LEU 27 3HD2 LEU 27 3.047 2.028 0.885
172 H GLN 28 H GLN 28 6.337 6.814 3.245
173 HA GLN 28 HA GLN 28 8.522 6.668 1.374
174 2HB GLN 28 2HB GLN 28 8.087 9.284 2.621
175 2HG GLN 28 2HG GLN 28 7.210 8.848 -0.169
176 1HE2 GLN 28 2HE2 GLN 28 7.483 10.684 -1.211
177 2HE2 GLN 28 1HE2 GLN 28 8.439 12.034 -0.698
178 H PHE 29 H PHE 29 8.050 6.240 4.697
179 HA PHE 29 HA PHE 29 10.658 7.370 5.373
180 2HB PHE 29 2HB PHE 29 8.048 6.745 6.698
181 HD1 PHE 29 HD1 PHE 29 11.429 7.173 8.223
182 HD2 PHE 29 HD2 PHE 29 7.785 4.998 8.188
183 HE1 PHE 29 HE1 PHE 29 12.186 5.873 10.231
184 HE2 PHE 29 HE2 PHE 29 8.543 3.697 10.196
185 HZ PHE 29 HZ PHE 29 10.734 4.151 11.194
186 H VAL 30 H VAL 30 8.697 4.332 5.548
187 HA VAL 30 HA VAL 30 11.122 2.888 6.290
188 HB VAL 30 HB VAL 30 8.191 2.460 6.522
189 1HG1 VAL 30 1HG1 VAL 30 8.902 0.523 5.169
190 2HG1 VAL 30 2HG1 VAL 30 10.148 0.141 6.381
191 3HG1 VAL 30 3HG1 VAL 30 8.425 0.045 6.816
192 1HG2 VAL 30 1HG2 VAL 30 10.251 3.004 8.275
193 2HG2 VAL 30 2HG2 VAL 30 8.649 2.369 8.720
194 3HG2 VAL 30 3HG2 VAL 30 10.015 1.252 8.483
195 H CYS 31 H CYS 31 8.645 3.225 3.715
196 HA CYS 31 HA CYS 31 9.683 1.068 2.194
197 2HB CYS 31 2HB CYS 31 8.218 3.021 0.636
198 H GLY 32 H GLY 32 10.357 4.517 2.634
199 1HA GLY 32 1HA GLY 32 12.618 5.182 2.014
200 2HA GLY 32 2HA GLY 32 12.387 4.354 0.486
201 H ASP 33 H ASP 33 12.580 7.366 1.740
202 HA ASP 33 HA ASP 33 10.618 8.938 1.318
203 2HB ASP 33 2HB ASP 33 12.395 10.207 -0.398
204 H ARG 34 H ARG 34 12.007 6.825 -1.171
205 HA ARG 34 HA ARG 34 11.265 7.953 -3.471
206 2HB ARG 34 2HB ARG 34 10.916 5.574 -4.322
207 2HG ARG 34 2HG ARG 34 13.273 5.633 -2.409
208 2HD ARG 34 2HD ARG 34 14.188 4.965 -4.918
209 HE ARG 34 HE ARG 34 13.118 2.685 -3.444
210 1HH1 ARG 34 1HH1 ARG 34 15.564 5.215 -3.395
211 2HH1 ARG 34 2HH1 ARG 34 16.635 4.337 -2.355
212 1HH2 ARG 34 1HH2 ARG 34 14.530 1.527 -2.071
213 2HH2 ARG 34 2HH2 ARG 34 16.043 2.225 -1.597
214 H GLY 35 H GLY 35 9.179 6.806 -0.899
215 1HA GLY 35 1HA GLY 35 6.949 6.962 -0.617
216 2HA GLY 35 2HA GLY 35 6.851 7.883 -2.105
217 H PHE 36 H PHE 36 5.249 5.512 -0.896
218 HA PHE 36 HA PHE 36 5.645 3.588 -3.059
219 2HB PHE 36 2HB PHE 36 4.401 3.678 -0.284
220 HD1 PHE 36 HD1 PHE 36 2.003 3.497 -0.842
221 HD2 PHE 36 HD2 PHE 36 4.794 0.555 -2.093
222 HE1 PHE 36 HE1 PHE 36 0.118 1.903 -1.301
223 HE2 PHE 36 HE2 PHE 36 2.910 -1.037 -2.551
224 HZ PHE 36 HZ PHE 36 0.594 -0.344 -2.150
225 H TYR 37 H TYR 37 3.574 2.608 -3.992
226 HA TYR 37 HA TYR 37 1.912 4.777 -4.877
227 2HB TYR 37 2HB TYR 37 0.909 2.273 -5.756
228 HD1 TYR 37 HD1 TYR 37 1.167 5.149 -6.694
229 HD2 TYR 37 HD2 TYR 37 3.386 1.629 -7.690
230 HE1 TYR 37 HE1 TYR 37 1.745 6.145 -8.961
231 HE2 TYR 37 HE2 TYR 37 3.957 2.638 -9.953
232 HH TYR 37 HH TYR 37 2.404 4.863 -11.375
233 H PHE 38 H PHE 38 0.809 5.406 -2.906
234 HA PHE 38 HA PHE 38 -0.427 4.049 -1.053
235 2HB PHE 38 2HB PHE 38 -2.477 5.770 -2.011
236 HD1 PHE 38 HD1 PHE 38 0.108 4.944 0.159
237 HD2 PHE 38 HD2 PHE 38 -2.212 8.275 -1.082
238 HE1 PHE 38 HE1 PHE 38 0.624 6.110 2.321
239 HE2 PHE 38 HE2 PHE 38 -1.695 9.440 1.080
240 HZ PHE 38 HZ PHE 38 -0.283 8.345 2.756
241 H ASN 39 H ASN 39 -2.715 4.998 -3.652
242 HA ASN 39 HA ASN 39 -3.870 2.352 -3.375
243 2HB ASN 39 2HB ASN 39 -5.225 4.560 -4.929
244 1HD2 ASN 39 2HD2 ASN 39 -7.426 4.669 -3.256
245 2HD2 ASN 39 1HD2 ASN 39 -8.250 3.145 -3.247
246 H LYS 40 H LYS 40 -5.416 2.923 -5.984
247 HA LYS 40 HA LYS 40 -3.577 1.679 -7.738
248 2HB LYS 40 2HB LYS 40 -6.132 1.437 -7.623
249 2HG LYS 40 2HG LYS 40 -5.981 4.195 -8.325
250 2HD LYS 40 2HD LYS 40 -7.201 2.520 -10.568
251 2HE LYS 40 2HE LYS 40 -6.898 5.055 -11.536
252 1HZ LYS 40 1HZ LYS 40 -9.062 3.686 -10.193
253 2HZ LYS 40 2HZ LYS 40 -9.273 5.276 -10.506
254 3HZ LYS 40 3HZ LYS 40 -8.973 4.235 -11.728
255 HA PRO 41 HA PRO 41 -1.853 5.109 -9.708
256 2HB PRO 41 2HB PRO 41 -0.436 3.802 -10.967
257 2HG PRO 41 2HG PRO 41 -1.174 1.644 -11.319
258 2HD PRO 41 2HD PRO 41 -2.573 1.393 -9.512
259 H THR 42 H THR 42 -3.787 6.396 -9.235
260 HA THR 42 HA THR 42 -5.931 6.677 -10.826
261 HB THR 42 HB THR 42 -4.398 9.121 -9.864
262 HG1 THR 42 HG1 THR 42 -5.004 8.382 -7.718
263 1HG2 THR 42 1HG2 THR 42 -7.293 8.165 -9.901
264 2HG2 THR 42 2HG2 THR 42 -6.762 9.443 -8.782
265 3HG2 THR 42 3HG2 THR 42 -6.629 9.688 -10.540
266 H GLY 43 H GLY 43 -6.443 8.576 -12.385
267 1HA GLY 43 1HA GLY 43 -5.569 8.147 -14.840
268 2HA GLY 43 2HA GLY 43 -5.954 9.760 -14.276
269 H TYR 44 H TYR 44 -3.376 7.472 -15.072
270 HA TYR 44 HA TYR 44 -1.540 9.669 -15.365
271 2HB TYR 44 2HB TYR 44 -0.708 7.271 -13.670
272 HD1 TYR 44 HD1 TYR 44 -0.704 10.964 -13.076
273 HD2 TYR 44 HD2 TYR 44 1.623 7.461 -13.862
274 HE1 TYR 44 HE1 TYR 44 1.433 12.293 -12.710
275 HE2 TYR 44 HE2 TYR 44 3.751 8.802 -13.494
276 HH TYR 44 HH TYR 44 3.810 12.122 -13.476
277 H GLY 45 H GLY 45 -0.051 9.256 -16.979
278 1HA GLY 45 1HA GLY 45 -0.393 7.454 -18.910
279 2HA GLY 45 2HA GLY 45 1.191 8.045 -18.449
280 H SER 46 H SER 46 0.982 6.790 -15.687
281 HA SER 46 HA SER 46 1.861 4.193 -16.552
282 2HB SER 46 2HB SER 46 1.868 5.374 -13.741
283 HG SER 46 HG SER 46 3.872 3.904 -13.762
284 H SER 47 H SER 47 -0.480 3.651 -17.173
285 HA SER 47 HA SER 47 -2.346 3.391 -15.077
286 2HB SER 47 2HB SER 47 -2.558 1.840 -17.659
287 HG SER 47 HG SER 47 -4.725 2.302 -17.431
288 H SER 48 H SER 48 -0.805 2.170 -13.591
289 HA SER 48 HA SER 48 -0.169 -0.491 -14.362
290 2HB SER 48 2HB SER 48 1.334 -0.299 -12.687
291 HG SER 48 HG SER 48 1.381 1.800 -11.509
292 H ARG 49 H ARG 49 -1.556 -2.215 -14.221
293 HA ARG 49 HA ARG 49 -4.088 -2.171 -13.616
294 2HB ARG 49 2HB ARG 49 -3.404 -4.644 -12.506
295 2HG ARG 49 2HG ARG 49 -3.657 -5.523 -14.804
296 2HD ARG 49 2HD ARG 49 -5.530 -3.859 -13.469
297 HE ARG 49 HE ARG 49 -6.047 -2.228 -15.044
298 1HH1 ARG 49 1HH1 ARG 49 -4.765 -5.031 -16.743
299 2HH1 ARG 49 2HH1 ARG 49 -4.941 -4.320 -18.313
300 1HH2 ARG 49 1HH2 ARG 49 -6.280 -1.291 -17.114
301 2HH2 ARG 49 2HH2 ARG 49 -5.810 -2.178 -18.525
302 H ARG 50 H ARG 50 -5.172 -1.292 -11.876
303 HA ARG 50 HA ARG 50 -4.268 -0.539 -9.557
304 2HB ARG 50 2HB ARG 50 -6.578 -0.141 -10.026
305 2HG ARG 50 2HG ARG 50 -7.057 -3.154 -9.919
306 2HD ARG 50 2HD ARG 50 -8.865 -1.005 -11.084
307 HE ARG 50 HE ARG 50 -9.075 -3.739 -11.160
308 1HH1 ARG 50 1HH1 ARG 50 -10.911 -1.277 -9.444
309 2HH1 ARG 50 2HH1 ARG 50 -12.381 -2.193 -9.440
310 1HH2 ARG 50 1HH2 ARG 50 -11.014 -4.949 -11.155
311 2HH2 ARG 50 2HH2 ARG 50 -12.440 -4.296 -10.419
312 H ALA 51 H ALA 51 -2.943 -1.548 -8.075
313 HA ALA 51 HA ALA 51 -3.747 -4.216 -7.182
314 1HB ALA 51 1HB ALA 51 -1.085 -3.340 -8.309
315 2HB ALA 51 2HB ALA 51 -1.159 -4.630 -7.085
316 3HB ALA 51 3HB ALA 51 -2.014 -4.823 -8.635
317 H CYS 52 H CYS 52 -4.014 -1.336 -6.220
318 HA CYS 52 HA CYS 52 -2.647 -1.782 -3.671
319 2HB CYS 52 2HB CYS 52 -2.669 0.861 -3.610
320 HG CYS 52 HG CYS 52 -0.702 -1.215 -3.605
321 H GLN 53 H GLN 53 -5.358 -2.524 -4.692
322 HA GLN 53 HA GLN 53 -7.337 -0.806 -4.151
323 2HB GLN 53 2HB GLN 53 -7.165 -3.497 -4.679
324 2HG GLN 53 2HG GLN 53 -8.659 -3.299 -2.035
325 1HE2 GLN 53 2HE2 GLN 53 -10.262 -4.579 -2.911
326 2HE2 GLN 53 1HE2 GLN 53 -10.033 -6.245 -3.325
327 H THR 54 H THR 54 -5.016 -2.110 -1.891
328 HA THR 54 HA THR 54 -6.659 -1.653 0.437
329 HB THR 54 HB THR 54 -3.670 -2.038 0.544
330 HG1 THR 54 HG1 THR 54 -4.327 -4.389 0.052
331 1HG2 THR 54 1HG2 THR 54 -6.093 -3.368 1.865
332 2HG2 THR 54 2HG2 THR 54 -4.403 -3.849 2.156
333 3HG2 THR 54 3HG2 THR 54 -4.963 -2.230 2.639
334 H GLY 55 H GLY 55 -6.425 0.627 -1.354
335 1HA GLY 55 1HA GLY 55 -4.856 2.611 -1.189
336 2HA GLY 55 2HA GLY 55 -6.490 2.853 -0.602
337 H ILE 56 H ILE 56 -3.091 2.320 0.316
338 HA ILE 56 HA ILE 56 -3.312 2.014 3.023
339 HB ILE 56 HB ILE 56 -1.304 2.478 1.148
340 2HG1 ILE 56 2HG1 ILE 56 -1.031 2.071 4.141
341 1HG2 ILE 56 1HG2 ILE 56 -1.608 4.931 1.949
342 2HG2 ILE 56 2HG2 ILE 56 -0.778 4.374 3.421
343 3HG2 ILE 56 3HG2 ILE 56 0.029 4.241 1.840
344 1HD1 ILE 56 1HD1 ILE 56 -1.740 0.236 1.840
345 2HD1 ILE 56 2HD1 ILE 56 -0.799 -0.389 3.216
346 3HD1 ILE 56 3HD1 ILE 56 -2.423 0.291 3.483
347 H VAL 57 H VAL 57 -4.665 4.494 1.198
348 HA VAL 57 HA VAL 57 -4.502 6.361 3.460
349 HB VAL 57 HB VAL 57 -5.609 7.623 1.201
350 1HG1 VAL 57 1HG1 VAL 57 -2.828 7.774 2.414
351 2HG1 VAL 57 2HG1 VAL 57 -3.532 8.970 1.299
352 3HG1 VAL 57 3HG1 VAL 57 -4.258 8.716 2.904
353 1HG2 VAL 57 1HG2 VAL 57 -4.753 5.819 -0.209
354 2HG2 VAL 57 2HG2 VAL 57 -3.852 7.325 -0.503
355 3HG2 VAL 57 3HG2 VAL 57 -3.124 6.031 0.479
356 H ASP 58 H ASP 58 -6.633 4.639 1.137
357 HA ASP 58 HA ASP 58 -8.930 5.698 2.519
358 2HB ASP 58 2HB ASP 58 -10.184 4.337 0.758
359 H GLU 59 H GLU 59 -7.116 2.651 1.867
360 HA GLU 59 HA GLU 59 -9.010 1.079 3.309
361 2HB GLU 59 2HB GLU 59 -6.248 0.094 2.593
362 2HG GLU 59 2HG GLU 59 -8.138 -1.684 1.646
363 H CYS 60 H CYS 60 -6.151 2.974 3.995
364 HA CYS 60 HA CYS 60 -5.627 1.545 6.454
365 2HB CYS 60 2HB CYS 60 -4.249 4.103 5.842
366 H CYS 61 H CYS 61 -6.931 4.661 5.195
367 HA CYS 61 HA CYS 61 -7.177 5.988 7.598
368 2HB CYS 61 2HB CYS 61 -9.303 6.940 6.233
369 H PHE 62 H PHE 62 -9.199 3.496 5.987
370 HA PHE 62 HA PHE 62 -11.319 3.741 7.888
371 2HB PHE 62 2HB PHE 62 -10.733 1.325 6.123
372 HD1 PHE 62 HD1 PHE 62 -12.425 0.322 7.710
373 HD2 PHE 62 HD2 PHE 62 -13.348 3.594 5.170
374 HE1 PHE 62 HE1 PHE 62 -14.874 -0.150 7.994
375 HE2 PHE 62 HE2 PHE 62 -15.796 3.122 5.454
376 HZ PHE 62 HZ PHE 62 -16.530 1.256 6.862
377 H ARG 63 H ARG 63 -8.488 1.584 7.349
378 HA ARG 63 HA ARG 63 -9.241 0.199 9.786
379 2HB ARG 63 2HB ARG 63 -7.047 -0.633 7.835
380 2HG ARG 63 2HG ARG 63 -8.844 -2.298 9.656
381 2HD ARG 63 2HD ARG 63 -6.164 -2.966 8.351
382 HE ARG 63 HE ARG 63 -7.969 -5.087 9.235
383 1HH1 ARG 63 1HH1 ARG 63 -5.420 -2.890 10.267
384 2HH1 ARG 63 2HH1 ARG 63 -4.919 -3.890 11.590
385 1HH2 ARG 63 1HH2 ARG 63 -7.309 -6.405 10.980
386 2HH2 ARG 63 2HH2 ARG 63 -6.001 -5.903 11.998
387 H SER 64 H SER 64 -8.429 1.671 11.367
388 HA SER 64 HA SER 64 -6.324 3.220 11.364
389 2HB SER 64 2HB SER 64 -6.089 2.808 13.818
390 HG SER 64 HG SER 64 -8.046 3.635 14.229
391 H CYS 65 H CYS 65 -4.490 2.626 10.148
392 HA CYS 65 HA CYS 65 -2.883 0.527 11.384
393 2HB CYS 65 2HB CYS 65 -3.732 -0.630 9.535
394 H ASP 66 H ASP 66 -1.507 2.064 12.378
395 HA ASP 66 HA ASP 66 -0.751 4.449 11.428
396 2HB ASP 66 2HB ASP 66 1.487 3.944 12.687
397 H LEU 67 H LEU 67 2.131 2.473 11.653
398 HA LEU 67 HA LEU 67 2.689 2.999 8.842
399 2HB LEU 67 2HB LEU 67 5.023 2.265 9.599
400 HG LEU 67 HG LEU 67 3.860 4.773 9.660
401 1HD1 LEU 67 1HD1 LEU 67 4.147 3.997 12.365
402 2HD1 LEU 67 2HD1 LEU 67 5.433 5.181 12.027
403 3HD1 LEU 67 3HD1 LEU 67 3.733 5.601 11.712
404 1HD2 LEU 67 1HD2 LEU 67 6.562 3.622 9.658
405 2HD2 LEU 67 2HD2 LEU 67 5.852 4.908 8.651
406 3HD2 LEU 67 3HD2 LEU 67 6.482 5.292 10.271
407 H ARG 68 H ARG 68 1.915 0.429 11.118
408 HA ARG 68 HA ARG 68 3.012 -1.750 10.179
409 2HB ARG 68 2HB ARG 68 0.756 -2.919 10.590
410 2HG ARG 68 2HG ARG 68 1.227 -0.889 12.782
411 2HD ARG 68 2HD ARG 68 -0.080 -3.393 12.578
412 HE ARG 68 HE ARG 68 2.660 -3.846 13.356
413 1HH1 ARG 68 1HH1 ARG 68 -0.634 -4.718 14.237
414 2HH1 ARG 68 2HH1 ARG 68 -0.180 -6.235 14.939
415 1HH2 ARG 68 1HH2 ARG 68 3.259 -5.848 14.283
416 2HH2 ARG 68 2HH2 ARG 68 2.049 -6.882 14.966
417 H ARG 69 H ARG 69 0.324 0.052 8.578
418 HA ARG 69 HA ARG 69 -0.054 -1.833 6.562
419 2HB ARG 69 2HB ARG 69 -0.648 0.976 5.819
420 2HG ARG 69 2HG ARG 69 -1.770 -1.017 4.811
421 2HD ARG 69 2HD ARG 69 -2.736 -1.402 7.679
422 HE ARG 69 HE ARG 69 -4.734 -1.898 6.505
423 1HH1 ARG 69 1HH1 ARG 69 -1.976 -3.460 4.978
424 2HH1 ARG 69 2HH1 ARG 69 -2.949 -4.476 3.967
425 1HH2 ARG 69 1HH2 ARG 69 -6.019 -3.236 5.173
426 2HH2 ARG 69 2HH2 ARG 69 -5.264 -4.348 4.079
427 H LEU 70 H LEU 70 1.845 1.245 6.787
428 HA LEU 70 HA LEU 70 2.674 1.569 4.245
429 2HB LEU 70 2HB LEU 70 3.307 2.619 6.676
430 HG LEU 70 HG LEU 70 5.218 0.900 6.841
431 1HD1 LEU 70 1HD1 LEU 70 5.750 1.568 4.279
432 2HD1 LEU 70 2HD1 LEU 70 6.871 2.659 5.127
433 3HD1 LEU 70 3HD1 LEU 70 6.958 0.904 5.406
434 1HD2 LEU 70 1HD2 LEU 70 4.902 3.308 7.922
435 2HD2 LEU 70 2HD2 LEU 70 6.383 2.349 8.154
436 3HD2 LEU 70 3HD2 LEU 70 6.348 3.656 6.946
437 H GLU 71 H GLU 71 3.817 -0.882 6.607
438 HA GLU 71 HA GLU 71 5.800 -1.808 4.778
439 2HB GLU 71 2HB GLU 71 5.845 -3.732 6.607
440 2HG GLU 71 2HG GLU 71 6.588 -0.831 7.217
441 H MET 72 H MET 72 2.440 -2.537 5.645
442 HA MET 72 HA MET 72 2.324 -5.128 4.703
443 2HB MET 72 2HB MET 72 -0.197 -4.181 4.197
444 2HG MET 72 2HG MET 72 -0.108 -4.088 7.011
445 1HE MET 72 1HE MET 72 1.246 -7.132 6.224
446 2HE MET 72 2HE MET 72 -0.064 -7.931 7.127
447 3HE MET 72 3HE MET 72 0.091 -8.185 5.371
448 H TYR 73 H TYR 73 1.674 -1.980 3.020
449 HA TYR 73 HA TYR 73 1.463 -3.429 0.496
450 2HB TYR 73 2HB TYR 73 1.277 -0.532 0.326
451 HD1 TYR 73 HD1 TYR 73 -0.387 -3.804 0.539
452 HD2 TYR 73 HD2 TYR 73 -0.797 0.273 -0.691
453 HE1 TYR 73 HE1 TYR 73 -2.447 -4.414 -0.818
454 HE2 TYR 73 HE2 TYR 73 -2.857 -0.351 -2.045
455 HH TYR 73 HH TYR 73 -3.905 -3.730 -2.279
456 H CYS 74 H CYS 74 3.791 -1.785 2.435
457 HA CYS 74 HA CYS 74 5.285 -0.254 0.906
458 2HB CYS 74 2HB CYS 74 7.005 -2.288 2.075
459 H ALA 75 H ALA 75 4.086 -1.627 -1.119
460 HA ALA 75 HA ALA 75 5.742 -3.751 -2.091
461 1HB ALA 75 1HB ALA 75 3.165 -3.191 -2.428
462 2HB ALA 75 2HB ALA 75 3.784 -2.245 -3.804
463 3HB ALA 75 3HB ALA 75 4.103 -3.994 -3.709
464 HA PRO 76 HA PRO 76 8.508 -1.377 -4.416
465 2HB PRO 76 2HB PRO 76 9.756 -3.221 -4.999
466 2HG PRO 76 2HG PRO 76 8.599 -5.217 -4.960
467 2HD PRO 76 2HD PRO 76 6.925 -4.690 -3.475
468 H LEU 77 H LEU 77 6.485 0.089 -4.615
469 HA LEU 77 HA LEU 77 4.930 0.268 -6.753
470 2HB LEU 77 2HB LEU 77 5.176 1.854 -4.808
471 HG LEU 77 HG LEU 77 6.364 3.906 -5.080
472 1HD1 LEU 77 1HD1 LEU 77 7.556 1.857 -4.135
473 2HD1 LEU 77 2HD1 LEU 77 8.433 1.795 -5.683
474 3HD1 LEU 77 3HD1 LEU 77 8.569 3.231 -4.640
475 1HD2 LEU 77 1HD2 LEU 77 6.363 3.278 -7.812
476 2HD2 LEU 77 2HD2 LEU 77 7.038 4.727 -7.029
477 3HD2 LEU 77 3HD2 LEU 77 8.077 3.314 -7.332
478 H LYS 78 H LYS 78 5.041 0.544 -8.942
479 HA LYS 78 HA LYS 78 7.221 -0.053 -10.375
480 2HB LYS 78 2HB LYS 78 5.255 2.027 -11.341
481 2HG LYS 78 2HG LYS 78 5.455 0.251 -13.324
482 2HD LYS 78 2HD LYS 78 7.595 2.312 -12.616
483 2HE LYS 78 2HE LYS 78 7.025 0.791 -15.195
484 1HZ LYS 78 1HZ LYS 78 7.223 3.256 -15.450
485 2HZ LYS 78 2HZ LYS 78 8.763 3.132 -14.923
486 3HZ LYS 78 3HZ LYS 78 8.306 2.372 -16.294
487 HA PRO 79 HA PRO 79 9.739 3.434 -9.356
488 2HB PRO 79 2HB PRO 79 11.315 2.191 -8.228
489 2HG PRO 79 2HG PRO 79 11.130 -0.090 -8.516
490 2HD PRO 79 2HD PRO 79 8.904 -0.253 -9.067
491 H ALA 80 H ALA 80 10.297 5.140 -10.577
492 HA ALA 80 HA ALA 80 11.519 4.654 -13.108
493 1HB ALA 80 1HB ALA 80 8.828 4.347 -13.208
494 2HB ALA 80 2HB ALA 80 8.935 6.110 -13.423
495 3HB ALA 80 3HB ALA 80 9.780 5.023 -14.550
496 H LYS 81 H LYS 81 11.092 7.110 -14.331
497 HA LYS 81 HA LYS 81 11.000 9.312 -12.666
498 2HB LYS 81 2HB LYS 81 13.874 9.067 -13.244
499 2HG LYS 81 2HG LYS 81 13.799 9.739 -10.704
500 2HD LYS 81 2HD LYS 81 13.398 11.241 -13.152
501 2HE LYS 81 2HE LYS 81 11.528 11.868 -10.954
502 1HZ LYS 81 1HZ LYS 81 13.424 13.460 -10.647
503 2HZ LYS 81 2HZ LYS 81 13.039 14.098 -12.100
504 3HZ LYS 81 3HZ LYS 81 11.956 14.136 -10.879
505 H SER 82 H SER 82 10.065 8.415 -15.222
506 HA SER 82 HA SER 82 11.196 8.874 -17.456
507 2HB SER 82 2HB SER 82 8.794 10.629 -16.841
508 HG SER 82 HG SER 82 8.738 8.868 -19.006
509 H ALA 83 H ALA 83 9.902 11.823 -15.748
510 HA ALA 83 HA ALA 83 11.910 13.408 -17.136
511 1HB ALA 83 1HB ALA 83 9.276 13.874 -15.797
512 2HB ALA 83 2HB ALA 83 10.455 15.207 -15.755
513 3HB ALA 83 3HB ALA 83 9.921 14.540 -17.316
Start of MODEL 3
1 H MET 1 H MET 1 8.619 9.202 -5.870
2 HA MET 1 HA MET 1 6.108 7.753 -6.009
3 2HB MET 1 2HB MET 1 6.121 10.212 -6.515
4 2HG MET 1 2HG MET 1 8.567 9.690 -7.751
5 1HE MET 1 1HE MET 1 8.872 11.642 -10.051
6 2HE MET 1 2HE MET 1 7.988 11.306 -11.558
7 3HE MET 1 3HE MET 1 7.176 12.154 -10.221
8 H PHE 2 H PHE 2 9.367 7.959 -7.393
9 HA PHE 2 HA PHE 2 10.428 6.778 -8.924
10 2HB PHE 2 2HB PHE 2 9.177 4.325 -9.114
11 HD1 PHE 2 HD1 PHE 2 11.856 4.722 -9.046
12 HD2 PHE 2 HD2 PHE 2 9.322 4.345 -5.663
13 HE1 PHE 2 HE1 PHE 2 13.818 4.001 -7.656
14 HE2 PHE 2 HE2 PHE 2 11.283 3.623 -4.273
15 HZ PHE 2 HZ PHE 2 13.508 3.461 -5.286
16 HA PRO 3 HA PRO 3 8.416 6.811 -12.761
17 2HB PRO 3 2HB PRO 3 10.371 6.492 -13.936
18 2HG PRO 3 2HG PRO 3 12.029 5.396 -12.768
19 2HD PRO 3 2HD PRO 3 11.395 5.878 -10.611
20 H ALA 4 H ALA 4 8.951 3.344 -12.290
21 HA ALA 4 HA ALA 4 7.111 2.137 -13.568
22 1HB ALA 4 1HB ALA 4 7.506 1.977 -10.561
23 2HB ALA 4 2HB ALA 4 6.520 0.805 -11.467
24 3HB ALA 4 3HB ALA 4 8.256 0.972 -11.823
25 H MET 5 H MET 5 5.757 2.966 -10.354
26 HA MET 5 HA MET 5 3.242 3.430 -11.610
27 2HB MET 5 2HB MET 5 2.835 4.045 -8.971
28 2HG MET 5 2HG MET 5 2.182 1.926 -10.512
29 1HE MET 5 1HE MET 5 2.010 -0.084 -8.072
30 2HE MET 5 2HE MET 5 2.334 -1.235 -9.390
31 3HE MET 5 3HE MET 5 3.382 -1.211 -7.952
32 HA PRO 6 HA PRO 6 3.247 7.769 -11.491
33 2HB PRO 6 2HB PRO 6 1.138 7.921 -12.402
34 2HG PRO 6 2HG PRO 6 -0.209 6.088 -12.023
35 2HD PRO 6 2HD PRO 6 1.389 4.471 -11.681
36 H LEU 7 H LEU 7 1.933 9.718 -10.004
37 HA LEU 7 HA LEU 7 2.905 9.118 -7.308
38 2HB LEU 7 2HB LEU 7 4.437 10.538 -8.948
39 HG LEU 7 HG LEU 7 2.525 12.567 -7.785
40 1HD1 LEU 7 1HD1 LEU 7 5.036 12.883 -7.155
41 2HD1 LEU 7 2HD1 LEU 7 5.213 13.363 -8.860
42 3HD1 LEU 7 3HD1 LEU 7 4.100 14.256 -7.795
43 1HD2 LEU 7 1HD2 LEU 7 2.260 11.711 -10.151
44 2HD2 LEU 7 2HD2 LEU 7 2.433 13.473 -9.970
45 3HD2 LEU 7 3HD2 LEU 7 3.815 12.494 -10.518
46 H SER 8 H SER 8 1.553 9.792 -5.680
47 HA SER 8 HA SER 8 -0.307 11.870 -6.147
48 2HB SER 8 2HB SER 8 -2.278 10.732 -6.439
49 HG SER 8 HG SER 8 -1.390 9.767 -8.195
50 H SER 9 H SER 9 1.594 11.955 -4.295
51 HA SER 9 HA SER 9 0.341 10.965 -1.855
52 2HB SER 9 2HB SER 9 2.524 9.992 -2.066
53 HG SER 9 HG SER 9 3.612 12.652 -2.409
54 H LEU 10 H LEU 10 -0.722 12.555 -0.736
55 HA LEU 10 HA LEU 10 -0.776 14.477 0.483
56 2HB LEU 10 2HB LEU 10 1.167 15.839 -1.352
57 HG LEU 10 HG LEU 10 1.068 17.465 0.152
58 1HD1 LEU 10 1HD1 LEU 10 -1.230 16.589 0.637
59 2HD1 LEU 10 2HD1 LEU 10 -0.542 15.721 2.030
60 3HD1 LEU 10 3HD1 LEU 10 -0.479 17.499 1.970
61 1HD2 LEU 10 1HD2 LEU 10 2.826 15.676 1.227
62 2HD2 LEU 10 2HD2 LEU 10 2.538 17.322 1.839
63 3HD2 LEU 10 3HD2 LEU 10 1.707 15.937 2.586
64 H PHE 11 H PHE 11 -2.248 13.450 -1.879
65 HA PHE 11 HA PHE 11 -3.929 15.629 -2.262
66 2HB PHE 11 2HB PHE 11 -2.470 14.879 -4.824
67 HD1 PHE 11 HD1 PHE 11 -4.557 15.546 -5.938
68 HD2 PHE 11 HD2 PHE 11 -2.441 18.241 -3.434
69 HE1 PHE 11 HE1 PHE 11 -5.854 17.464 -6.906
70 HE2 PHE 11 HE2 PHE 11 -3.738 20.160 -4.403
71 HZ PHE 11 HZ PHE 11 -5.429 19.748 -6.126
72 H VAL 12 H VAL 12 -3.969 12.770 -1.602
73 HA VAL 12 HA VAL 12 -4.709 11.165 -3.726
74 HB VAL 12 HB VAL 12 -4.185 10.553 -1.334
75 1HG1 VAL 12 1HG1 VAL 12 -6.516 12.117 -0.841
76 2HG1 VAL 12 2HG1 VAL 12 -6.885 10.436 -0.384
77 3HG1 VAL 12 3HG1 VAL 12 -5.482 11.265 0.332
78 1HG2 VAL 12 1HG2 VAL 12 -6.193 9.368 -3.134
79 2HG2 VAL 12 2HG2 VAL 12 -4.787 8.627 -2.330
80 3HG2 VAL 12 3HG2 VAL 12 -6.317 8.825 -1.442
81 H ASN 13 H ASN 13 -7.454 10.584 -2.224
82 HA ASN 13 HA ASN 13 -9.134 11.311 -4.110
83 2HB ASN 13 2HB ASN 13 -10.785 11.733 -1.968
84 1HD2 ASN 13 2HD2 ASN 13 -11.787 9.741 -1.113
85 2HD2 ASN 13 1HD2 ASN 13 -11.749 8.303 -2.079
86 H GLY 14 H GLY 14 -7.508 13.431 -1.820
87 1HA GLY 14 1HA GLY 14 -8.556 15.779 -3.131
88 2HA GLY 14 2HA GLY 14 -9.090 15.597 -1.472
89 HA PRO 15 HA PRO 15 -5.017 17.594 -1.317
90 2HB PRO 15 2HB PRO 15 -5.669 19.785 -1.596
91 2HG PRO 15 2HG PRO 15 -7.948 20.129 -1.530
92 2HD PRO 15 2HD PRO 15 -8.693 18.038 -2.131
93 H ARG 16 H ARG 16 -4.009 18.759 0.885
94 HA ARG 16 HA ARG 16 -3.481 16.642 2.454
95 2HB ARG 16 2HB ARG 16 -2.401 18.998 2.419
96 2HG ARG 16 2HG ARG 16 -4.195 19.573 4.783
97 2HD ARG 16 2HD ARG 16 -2.018 20.863 4.113
98 HE ARG 16 HE ARG 16 -2.207 21.496 1.850
99 1HH1 ARG 16 1HH1 ARG 16 -5.131 22.382 3.595
100 2HH1 ARG 16 2HH1 ARG 16 -5.767 23.339 2.300
101 1HH2 ARG 16 1HH2 ARG 16 -3.046 22.758 0.140
102 2HH2 ARG 16 2HH2 ARG 16 -4.573 23.554 0.321
103 H THR 17 H THR 17 -6.401 18.557 2.332
104 HA THR 17 HA THR 17 -7.278 18.082 4.999
105 HB THR 17 HB THR 17 -8.559 19.018 2.390
106 HG1 THR 17 HG1 THR 17 -8.021 20.153 5.044
107 1HG2 THR 17 1HG2 THR 17 -10.257 17.856 3.958
108 2HG2 THR 17 2HG2 THR 17 -9.827 19.087 5.171
109 3HG2 THR 17 3HG2 THR 17 -10.568 19.578 3.628
110 H LEU 18 H LEU 18 -7.201 16.182 2.052
111 HA LEU 18 HA LEU 18 -9.365 14.503 2.612
112 2HB LEU 18 2HB LEU 18 -6.924 13.528 1.193
113 HG LEU 18 HG LEU 18 -8.397 12.569 -0.370
114 1HD1 LEU 18 1HD1 LEU 18 -9.309 12.232 2.473
115 2HD1 LEU 18 2HD1 LEU 18 -10.128 11.367 1.150
116 3HD1 LEU 18 3HD1 LEU 18 -8.388 11.119 1.433
117 1HD2 LEU 18 1HD2 LEU 18 -10.010 14.788 0.095
118 2HD2 LEU 18 2HD2 LEU 18 -10.339 13.438 -1.017
119 3HD2 LEU 18 3HD2 LEU 18 -10.992 13.407 0.638
120 H CYS 19 H CYS 19 -7.064 12.197 2.298
121 HA CYS 19 HA CYS 19 -7.239 11.572 5.114
122 2HB CYS 19 2HB CYS 19 -5.806 9.555 3.801
123 H GLY 20 H GLY 20 -5.484 13.773 3.797
124 1HA GLY 20 1HA GLY 20 -3.393 14.587 3.961
125 2HA GLY 20 2HA GLY 20 -3.313 13.704 5.471
126 H ALA 21 H ALA 21 -0.949 13.989 4.158
127 HA ALA 21 HA ALA 21 -0.559 11.634 2.496
128 1HB ALA 21 1HB ALA 21 0.611 14.263 2.752
129 2HB ALA 21 2HB ALA 21 1.875 13.028 2.966
130 3HB ALA 21 3HB ALA 21 0.879 13.037 1.490
131 H GLU 22 H GLU 22 -0.869 12.186 5.727
132 HA GLU 22 HA GLU 22 1.256 11.435 7.072
133 2HB GLU 22 2HB GLU 22 -1.540 10.265 7.410
134 2HG GLU 22 2HG GLU 22 0.663 10.626 9.493
135 H LEU 23 H LEU 23 -1.067 8.884 5.902
136 HA LEU 23 HA LEU 23 0.615 6.753 6.349
137 2HB LEU 23 2HB LEU 23 -0.956 6.127 4.102
138 HG LEU 23 HG LEU 23 -2.621 5.313 5.935
139 1HD1 LEU 23 1HD1 LEU 23 0.024 4.284 5.110
140 2HD1 LEU 23 2HD1 LEU 23 -0.684 3.525 6.556
141 3HD1 LEU 23 3HD1 LEU 23 -1.588 3.534 5.023
142 1HD2 LEU 23 1HD2 LEU 23 -0.919 6.832 7.554
143 2HD2 LEU 23 2HD2 LEU 23 -2.184 5.695 8.079
144 3HD2 LEU 23 3HD2 LEU 23 -0.503 5.136 7.903
145 H VAL 24 H VAL 24 0.715 9.232 3.869
146 HA VAL 24 HA VAL 24 2.201 7.727 1.980
147 HB VAL 24 HB VAL 24 0.929 10.222 2.149
148 1HG1 VAL 24 1HG1 VAL 24 3.206 11.064 2.905
149 2HG1 VAL 24 2HG1 VAL 24 3.799 10.649 1.279
150 3HG1 VAL 24 3HG1 VAL 24 2.510 11.862 1.475
151 1HG2 VAL 24 1HG2 VAL 24 1.088 8.480 0.269
152 2HG2 VAL 24 2HG2 VAL 24 1.061 10.195 -0.204
153 3HG2 VAL 24 3HG2 VAL 24 2.598 9.298 -0.196
154 H ASP 25 H ASP 25 2.973 9.778 4.813
155 HA ASP 25 HA ASP 25 5.719 9.886 4.225
156 2HB ASP 25 2HB ASP 25 5.635 10.324 6.912
157 H ALA 26 H ALA 26 3.504 7.675 5.926
158 HA ALA 26 HA ALA 26 5.296 6.328 7.554
159 1HB ALA 26 1HB ALA 26 2.587 6.177 6.828
160 2HB ALA 26 2HB ALA 26 3.266 4.595 6.375
161 3HB ALA 26 3HB ALA 26 3.421 5.184 8.047
162 H LEU 27 H LEU 27 4.235 5.595 4.156
163 HA LEU 27 HA LEU 27 6.029 3.430 3.898
164 2HB LEU 27 2HB LEU 27 5.363 3.402 1.608
165 HG LEU 27 HG LEU 27 3.427 3.398 3.650
166 1HD1 LEU 27 1HD1 LEU 27 2.875 5.680 2.378
167 2HD1 LEU 27 2HD1 LEU 27 2.015 4.555 1.299
168 3HD1 LEU 27 3HD1 LEU 27 1.611 4.611 3.031
169 1HD2 LEU 27 1HD2 LEU 27 3.964 2.123 1.115
170 2HD2 LEU 27 2HD2 LEU 27 3.123 1.494 2.552
171 3HD2 LEU 27 3HD2 LEU 27 2.219 2.405 1.319
172 H GLN 28 H GLN 28 6.274 6.941 3.506
173 HA GLN 28 HA GLN 28 8.639 6.802 1.961
174 2HB GLN 28 2HB GLN 28 8.282 9.303 3.446
175 2HG GLN 28 2HG GLN 28 8.891 8.361 0.785
176 1HE2 GLN 28 2HE2 GLN 28 8.493 10.960 -0.460
177 2HE2 GLN 28 1HE2 GLN 28 6.862 11.016 -1.043
178 H PHE 29 H PHE 29 7.957 6.073 5.194
179 HA PHE 29 HA PHE 29 10.525 7.037 6.170
180 2HB PHE 29 2HB PHE 29 7.859 6.147 7.213
181 HD1 PHE 29 HD1 PHE 29 11.395 5.673 8.228
182 HD2 PHE 29 HD2 PHE 29 7.319 4.952 9.161
183 HE1 PHE 29 HE1 PHE 29 12.093 4.104 10.059
184 HE2 PHE 29 HE2 PHE 29 8.016 3.384 10.993
185 HZ PHE 29 HZ PHE 29 10.395 2.978 11.420
186 H VAL 30 H VAL 30 8.597 3.960 5.981
187 HA VAL 30 HA VAL 30 11.068 2.484 6.448
188 HB VAL 30 HB VAL 30 8.166 2.017 6.789
189 1HG1 VAL 30 1HG1 VAL 30 8.692 0.304 5.111
190 2HG1 VAL 30 2HG1 VAL 30 10.053 -0.266 6.108
191 3HG1 VAL 30 3HG1 VAL 30 8.383 -0.430 6.704
192 1HG2 VAL 30 1HG2 VAL 30 10.671 1.130 8.257
193 2HG2 VAL 30 2HG2 VAL 30 9.553 2.435 8.722
194 3HG2 VAL 30 3HG2 VAL 30 9.010 0.741 8.764
195 H CYS 31 H CYS 31 8.540 3.144 4.002
196 HA CYS 31 HA CYS 31 9.451 1.158 2.211
197 2HB CYS 31 2HB CYS 31 8.082 3.427 0.988
198 H GLY 32 H GLY 32 10.325 4.493 3.038
199 1HA GLY 32 1HA GLY 32 12.617 5.098 2.481
200 2HA GLY 32 2HA GLY 32 12.344 4.454 0.874
201 H ASP 33 H ASP 33 12.662 7.299 2.487
202 HA ASP 33 HA ASP 33 10.775 8.994 2.211
203 2HB ASP 33 2HB ASP 33 12.471 10.590 0.998
204 H ARG 34 H ARG 34 12.163 7.142 -0.480
205 HA ARG 34 HA ARG 34 11.472 8.612 -2.627
206 2HB ARG 34 2HB ARG 34 11.199 6.358 -3.811
207 2HG ARG 34 2HG ARG 34 13.541 5.500 -2.720
208 2HD ARG 34 2HD ARG 34 12.970 7.861 -4.549
209 HE ARG 34 HE ARG 34 15.732 6.868 -4.441
210 1HH1 ARG 34 1HH1 ARG 34 13.484 9.318 -3.287
211 2HH1 ARG 34 2HH1 ARG 34 14.728 10.458 -2.898
212 1HH2 ARG 34 1HH2 ARG 34 17.373 8.374 -3.928
213 2HH2 ARG 34 2HH2 ARG 34 16.955 9.918 -3.265
214 H GLY 35 H GLY 35 9.380 7.113 -0.271
215 1HA GLY 35 1HA GLY 35 7.139 7.236 -0.016
216 2HA GLY 35 2HA GLY 35 7.039 8.222 -1.462
217 H PHE 36 H PHE 36 5.470 5.768 -0.418
218 HA PHE 36 HA PHE 36 6.045 3.844 -2.512
219 2HB PHE 36 2HB PHE 36 4.424 4.077 0.040
220 HD1 PHE 36 HD1 PHE 36 4.793 1.057 -2.046
221 HD2 PHE 36 HD2 PHE 36 2.099 3.921 -0.450
222 HE1 PHE 36 HE1 PHE 36 2.855 -0.384 -2.732
223 HE2 PHE 36 HE2 PHE 36 0.161 2.481 -1.136
224 HZ PHE 36 HZ PHE 36 0.563 0.345 -2.268
225 H TYR 37 H TYR 37 4.278 3.012 -3.909
226 HA TYR 37 HA TYR 37 2.859 5.164 -5.091
227 2HB TYR 37 2HB TYR 37 2.399 3.453 -6.712
228 HD1 TYR 37 HD1 TYR 37 5.115 4.529 -5.789
229 HD2 TYR 37 HD2 TYR 37 3.655 0.549 -6.374
230 HE1 TYR 37 HE1 TYR 37 7.482 3.719 -6.241
231 HE2 TYR 37 HE2 TYR 37 6.027 -0.247 -6.824
232 HH TYR 37 HH TYR 37 8.316 1.355 -7.765
233 H PHE 38 H PHE 38 1.914 5.465 -2.628
234 HA PHE 38 HA PHE 38 0.176 4.406 -1.240
235 2HB PHE 38 2HB PHE 38 -1.489 6.386 -2.563
236 HD1 PHE 38 HD1 PHE 38 0.697 5.311 0.079
237 HD2 PHE 38 HD2 PHE 38 -1.753 8.517 -1.236
238 HE1 PHE 38 HE1 PHE 38 0.643 6.229 2.415
239 HE2 PHE 38 HE2 PHE 38 -1.807 9.434 1.099
240 HZ PHE 38 HZ PHE 38 -0.608 8.280 2.897
241 H ASN 39 H ASN 39 -1.173 5.372 -4.481
242 HA ASN 39 HA ASN 39 -3.023 3.157 -4.173
243 2HB ASN 39 2HB ASN 39 -4.472 4.812 -4.835
244 1HD2 ASN 39 1HD2 ASN 39 -2.886 6.191 -7.436
245 2HD2 ASN 39 2HD2 ASN 39 -2.343 7.673 -6.722
246 H LYS 40 H LYS 40 -3.497 1.874 -6.244
247 HA LYS 40 HA LYS 40 -1.104 1.004 -7.423
248 2HB LYS 40 2HB LYS 40 -3.356 0.200 -8.985
249 2HG LYS 40 2HG LYS 40 -2.417 -1.514 -6.732
250 2HD LYS 40 2HD LYS 40 -1.781 -2.352 -9.465
251 2HE LYS 40 2HE LYS 40 -4.009 -3.477 -7.750
252 1HZ LYS 40 1HZ LYS 40 -1.852 -4.671 -9.350
253 2HZ LYS 40 2HZ LYS 40 -3.024 -5.501 -8.572
254 3HZ LYS 40 3HZ LYS 40 -3.409 -4.521 -9.820
255 HA PRO 41 HA PRO 41 -0.823 3.387 -11.022
256 2HB PRO 41 2HB PRO 41 0.821 2.081 -11.965
257 2HG PRO 41 2HG PRO 41 0.788 -0.131 -11.312
258 2HD PRO 41 2HD PRO 41 -0.292 0.057 -9.291
259 H THR 42 H THR 42 -3.083 4.109 -10.586
260 HA THR 42 HA THR 42 -5.304 3.152 -11.706
261 HB THR 42 HB THR 42 -5.857 5.165 -10.763
262 HG1 THR 42 HG1 THR 42 -6.137 5.574 -13.118
263 1HG2 THR 42 1HG2 THR 42 -2.967 5.873 -11.408
264 2HG2 THR 42 2HG2 THR 42 -4.111 7.135 -10.893
265 3HG2 THR 42 3HG2 THR 42 -3.750 5.766 -9.814
266 H GLY 43 H GLY 43 -6.526 3.522 -13.687
267 1HA GLY 43 1HA GLY 43 -5.459 2.570 -15.936
268 2HA GLY 43 2HA GLY 43 -6.740 3.766 -15.937
269 H TYR 44 H TYR 44 -6.252 6.020 -16.283
270 HA TYR 44 HA TYR 44 -3.468 6.578 -17.007
271 2HB TYR 44 2HB TYR 44 -5.780 7.699 -18.616
272 HD1 TYR 44 HD1 TYR 44 -2.863 5.423 -19.269
273 HD2 TYR 44 HD2 TYR 44 -4.716 9.204 -20.025
274 HE1 TYR 44 HE1 TYR 44 -1.028 5.998 -20.931
275 HE2 TYR 44 HE2 TYR 44 -2.874 9.767 -21.685
276 HH TYR 44 HH TYR 44 -1.173 7.927 -23.177
277 H GLY 45 H GLY 45 -3.897 9.205 -17.957
278 1HA GLY 45 1HA GLY 45 -3.697 10.807 -15.841
279 2HA GLY 45 2HA GLY 45 -4.478 11.313 -17.325
280 H SER 46 H SER 46 -6.832 11.176 -17.525
281 HA SER 46 HA SER 46 -8.056 11.565 -14.964
282 2HB SER 46 2HB SER 46 -9.293 11.732 -17.747
283 HG SER 46 HG SER 46 -10.779 11.695 -15.879
284 H SER 47 H SER 47 -7.520 9.102 -14.573
285 HA SER 47 HA SER 47 -9.970 7.743 -14.787
286 2HB SER 47 2HB SER 47 -8.166 5.839 -15.962
287 HG SER 47 HG SER 47 -10.632 7.095 -16.592
288 H SER 48 H SER 48 -9.443 7.975 -12.446
289 HA SER 48 HA SER 48 -7.145 6.606 -11.490
290 2HB SER 48 2HB SER 48 -7.739 7.440 -9.368
291 HG SER 48 HG SER 48 -7.801 9.131 -11.287
292 H ARG 49 H ARG 49 -7.958 4.569 -12.775
293 HA ARG 49 HA ARG 49 -10.147 3.165 -12.134
294 2HB ARG 49 2HB ARG 49 -8.779 1.107 -12.733
295 2HG ARG 49 2HG ARG 49 -7.850 2.161 -14.954
296 2HD ARG 49 2HD ARG 49 -10.180 1.073 -14.514
297 HE ARG 49 HE ARG 49 -10.787 3.843 -13.847
298 1HH1 ARG 49 2HH1 ARG 49 -12.121 0.914 -15.269
299 2HH1 ARG 49 1HH1 ARG 49 -13.764 1.338 -14.917
300 1HH2 ARG 49 1HH2 ARG 49 -12.953 4.403 -13.382
301 2HH2 ARG 49 2HH2 ARG 49 -14.240 3.337 -13.836
302 H ARG 50 H ARG 50 -10.852 3.015 -9.984
303 HA ARG 50 HA ARG 50 -9.526 2.987 -7.744
304 2HB ARG 50 2HB ARG 50 -11.353 0.896 -7.267
305 2HG ARG 50 2HG ARG 50 -12.350 3.732 -7.500
306 2HD ARG 50 2HD ARG 50 -13.188 3.193 -5.193
307 HE ARG 50 HE ARG 50 -14.267 2.225 -7.517
308 1HH1 ARG 50 1HH1 ARG 50 -13.939 0.813 -4.311
309 2HH1 ARG 50 2HH1 ARG 50 -15.359 -0.168 -4.458
310 1HH2 ARG 50 1HH2 ARG 50 -16.141 0.932 -7.712
311 2HH2 ARG 50 2HH2 ARG 50 -16.620 -0.100 -6.406
312 H ALA 51 H ALA 51 -7.452 2.037 -7.639
313 HA ALA 51 HA ALA 51 -7.447 -0.899 -7.751
314 1HB ALA 51 1HB ALA 51 -6.376 0.044 -9.771
315 2HB ALA 51 2HB ALA 51 -5.284 1.002 -8.743
316 3HB ALA 51 3HB ALA 51 -5.187 -0.775 -8.730
317 H CYS 52 H CYS 52 -7.401 1.730 -5.790
318 HA CYS 52 HA CYS 52 -5.104 0.999 -4.215
319 2HB CYS 52 2HB CYS 52 -5.781 3.380 -4.528
320 HG CYS 52 HG CYS 52 -8.143 3.815 -4.649
321 H GLN 53 H GLN 53 -6.643 -1.249 -4.452
322 HA GLN 53 HA GLN 53 -8.799 -1.664 -2.955
323 2HB GLN 53 2HB GLN 53 -8.216 -3.654 -3.894
324 2HG GLN 53 2HG GLN 53 -5.560 -4.266 -3.724
325 1HE2 GLN 53 2HE2 GLN 53 -5.063 -4.876 -5.688
326 2HE2 GLN 53 1HE2 GLN 53 -5.701 -4.249 -7.172
327 H THR 54 H THR 54 -5.383 -1.782 -1.715
328 HA THR 54 HA THR 54 -6.437 -1.777 1.012
329 HB THR 54 HB THR 54 -4.752 -3.458 0.604
330 HG1 THR 54 HG1 THR 54 -4.519 -1.604 2.368
331 1HG2 THR 54 1HG2 THR 54 -3.611 -1.378 -1.156
332 2HG2 THR 54 2HG2 THR 54 -2.394 -2.072 -0.059
333 3HG2 THR 54 3HG2 THR 54 -3.312 -3.133 -1.153
334 H GLY 55 H GLY 55 -6.685 0.580 -0.817
335 1HA GLY 55 1HA GLY 55 -5.224 2.656 -0.817
336 2HA GLY 55 2HA GLY 55 -6.775 2.783 -0.012
337 H ILE 56 H ILE 56 -3.261 2.499 0.420
338 HA ILE 56 HA ILE 56 -3.146 2.150 3.157
339 HB ILE 56 HB ILE 56 -1.388 2.664 1.029
340 2HG1 ILE 56 2HG1 ILE 56 -0.572 2.225 3.904
341 1HG2 ILE 56 1HG2 ILE 56 -1.556 5.075 1.884
342 2HG2 ILE 56 2HG2 ILE 56 -0.665 4.495 3.312
343 3HG2 ILE 56 3HG2 ILE 56 0.068 4.371 1.695
344 1HD1 ILE 56 1HD1 ILE 56 -2.183 0.493 2.057
345 2HD1 ILE 56 2HD1 ILE 56 -0.853 -0.288 2.946
346 3HD1 ILE 56 3HD1 ILE 56 -2.154 0.538 3.836
347 H VAL 57 H VAL 57 -4.648 4.651 1.423
348 HA VAL 57 HA VAL 57 -4.352 6.462 3.719
349 HB VAL 57 HB VAL 57 -5.439 7.776 1.439
350 1HG1 VAL 57 1HG1 VAL 57 -4.129 8.731 3.362
351 2HG1 VAL 57 2HG1 VAL 57 -2.661 8.041 2.627
352 3HG1 VAL 57 3HG1 VAL 57 -3.595 9.280 1.755
353 1HG2 VAL 57 1HG2 VAL 57 -2.893 6.228 0.856
354 2HG2 VAL 57 2HG2 VAL 57 -4.461 6.055 0.034
355 3HG2 VAL 57 3HG2 VAL 57 -3.529 7.562 -0.135
356 H ASP 58 H ASP 58 -6.556 4.894 1.358
357 HA ASP 58 HA ASP 58 -8.817 6.018 2.724
358 2HB ASP 58 2HB ASP 58 -8.555 4.081 0.379
359 H GLU 59 H GLU 59 -7.011 2.947 2.294
360 HA GLU 59 HA GLU 59 -8.982 1.473 3.766
361 2HB GLU 59 2HB GLU 59 -6.282 0.691 2.586
362 2HG GLU 59 2HG GLU 59 -7.987 -0.683 4.523
363 H CYS 60 H CYS 60 -6.109 3.348 4.367
364 HA CYS 60 HA CYS 60 -5.502 1.973 6.826
365 2HB CYS 60 2HB CYS 60 -4.313 4.558 5.820
366 H CYS 61 H CYS 61 -6.906 5.077 5.619
367 HA CYS 61 HA CYS 61 -7.217 6.283 8.101
368 2HB CYS 61 2HB CYS 61 -9.221 7.402 6.741
369 H PHE 62 H PHE 62 -9.211 3.969 6.198
370 HA PHE 62 HA PHE 62 -11.375 4.088 8.079
371 2HB PHE 62 2HB PHE 62 -10.567 2.590 5.555
372 HD1 PHE 62 HD1 PHE 62 -13.851 2.711 7.279
373 HD2 PHE 62 HD2 PHE 62 -10.720 0.261 5.795
374 HE1 PHE 62 HE1 PHE 62 -15.255 0.671 7.687
375 HE2 PHE 62 HE2 PHE 62 -12.124 -1.779 6.203
376 HZ PHE 62 HZ PHE 62 -14.374 -1.550 7.144
377 H ARG 63 H ARG 63 -8.712 1.804 7.206
378 HA ARG 63 HA ARG 63 -9.487 0.252 9.535
379 2HB ARG 63 2HB ARG 63 -7.398 -0.765 7.624
380 2HG ARG 63 2HG ARG 63 -9.399 -1.810 9.527
381 2HD ARG 63 2HD ARG 63 -10.403 -2.390 7.206
382 HE ARG 63 HE ARG 63 -7.868 -3.134 6.506
383 1HH1 ARG 63 1HH1 ARG 63 -10.796 -5.021 7.012
384 2HH1 ARG 63 2HH1 ARG 63 -10.349 -6.255 5.881
385 1HH2 ARG 63 1HH2 ARG 63 -7.279 -4.761 5.013
386 2HH2 ARG 63 2HH2 ARG 63 -8.335 -6.106 4.736
387 H SER 64 H SER 64 -8.421 1.377 11.224
388 HA SER 64 HA SER 64 -6.215 2.753 11.275
389 2HB SER 64 2HB SER 64 -5.931 2.171 13.592
390 HG SER 64 HG SER 64 -8.178 1.915 14.329
391 H CYS 65 H CYS 65 -4.475 2.309 9.899
392 HA CYS 65 HA CYS 65 -3.129 -0.248 10.396
393 2HB CYS 65 2HB CYS 65 -4.238 0.227 8.077
394 H ASP 66 H ASP 66 -1.541 0.379 11.868
395 HA ASP 66 HA ASP 66 -0.460 2.878 12.039
396 2HB ASP 66 2HB ASP 66 1.317 1.827 13.376
397 H LEU 67 H LEU 67 2.413 1.286 11.944
398 HA LEU 67 HA LEU 67 3.006 2.257 9.268
399 2HB LEU 67 2HB LEU 67 4.361 2.186 11.774
400 HG LEU 67 HG LEU 67 5.444 0.207 10.049
401 1HD1 LEU 67 1HD1 LEU 67 6.661 2.839 9.638
402 2HD1 LEU 67 2HD1 LEU 67 7.823 1.590 10.150
403 3HD1 LEU 67 3HD1 LEU 67 6.821 1.334 8.701
404 1HD2 LEU 67 1HD2 LEU 67 5.485 0.688 12.658
405 2HD2 LEU 67 2HD2 LEU 67 6.725 -0.310 11.863
406 3HD2 LEU 67 3HD2 LEU 67 7.069 1.391 12.254
407 H ARG 68 H ARG 68 2.298 -0.672 10.991
408 HA ARG 68 HA ARG 68 3.860 -2.472 9.682
409 2HB ARG 68 2HB ARG 68 1.233 -3.624 9.996
410 2HG ARG 68 2HG ARG 68 2.379 -4.516 12.158
411 2HD ARG 68 2HD ARG 68 3.643 -4.855 9.398
412 HE ARG 68 HE ARG 68 4.508 -5.968 11.940
413 1HH1 ARG 68 1HH1 ARG 68 4.098 -6.725 8.528
414 2HH1 ARG 68 2HH1 ARG 68 5.309 -7.962 8.526
415 1HH2 ARG 68 1HH2 ARG 68 6.105 -7.601 11.938
416 2HH2 ARG 68 2HH2 ARG 68 6.458 -8.465 10.479
417 H ARG 69 H ARG 69 0.891 -0.776 8.633
418 HA ARG 69 HA ARG 69 0.407 -2.444 6.438
419 2HB ARG 69 2HB ARG 69 -0.562 0.275 6.016
420 2HG ARG 69 2HG ARG 69 -2.720 -0.781 6.090
421 2HD ARG 69 2HD ARG 69 -1.011 -3.156 5.300
422 HE ARG 69 HE ARG 69 -2.987 -2.169 3.442
423 1HH1 ARG 69 1HH1 ARG 69 -2.686 -3.869 6.508
424 2HH1 ARG 69 2HH1 ARG 69 -4.194 -4.704 6.338
425 1HH2 ARG 69 2HH2 ARG 69 -4.976 -3.270 3.218
426 2HH2 ARG 69 1HH2 ARG 69 -5.506 -4.361 4.455
427 H LEU 70 H LEU 70 1.994 0.794 6.855
428 HA LEU 70 HA LEU 70 2.510 1.448 4.285
429 2HB LEU 70 2HB LEU 70 3.113 2.526 6.610
430 HG LEU 70 HG LEU 70 5.053 0.880 6.973
431 1HD1 LEU 70 1HD1 LEU 70 5.757 1.606 4.416
432 2HD1 LEU 70 2HD1 LEU 70 6.868 2.572 5.416
433 3HD1 LEU 70 3HD1 LEU 70 6.813 0.802 5.602
434 1HD2 LEU 70 1HD2 LEU 70 5.080 3.845 7.250
435 2HD2 LEU 70 2HD2 LEU 70 5.114 2.571 8.492
436 3HD2 LEU 70 3HD2 LEU 70 6.592 2.968 7.582
437 H GLU 71 H GLU 71 4.128 -1.044 6.286
438 HA GLU 71 HA GLU 71 6.062 -1.519 4.242
439 2HB GLU 71 2HB GLU 71 6.013 -1.931 6.967
440 2HG GLU 71 2HG GLU 71 5.739 -4.650 5.600
441 H MET 72 H MET 72 2.865 -2.669 5.166
442 HA MET 72 HA MET 72 3.006 -5.188 3.997
443 2HB MET 72 2HB MET 72 0.345 -4.458 3.768
444 2HG MET 72 2HG MET 72 0.077 -5.248 6.126
445 1HE MET 72 1HE MET 72 -0.084 -7.255 6.857
446 2HE MET 72 2HE MET 72 -0.227 -8.591 5.690
447 3HE MET 72 3HE MET 72 1.200 -8.483 6.748
448 H TYR 73 H TYR 73 1.870 -1.987 2.728
449 HA TYR 73 HA TYR 73 1.347 -3.118 0.135
450 2HB TYR 73 2HB TYR 73 1.665 -0.158 0.689
451 HD1 TYR 73 HD1 TYR 73 0.813 -2.526 -1.536
452 HD2 TYR 73 HD2 TYR 73 -1.038 0.769 0.470
453 HE1 TYR 73 HE1 TYR 73 -0.872 -2.310 -3.428
454 HE2 TYR 73 HE2 TYR 73 -2.716 0.973 -1.429
455 HH TYR 73 HH TYR 73 -2.843 0.409 -3.785
456 H CYS 74 H CYS 74 4.057 -1.686 1.841
457 HA CYS 74 HA CYS 74 5.526 -0.319 0.205
458 2HB CYS 74 2HB CYS 74 7.317 -2.377 0.912
459 H ALA 75 H ALA 75 3.874 -1.511 -1.663
460 HA ALA 75 HA ALA 75 4.511 -3.734 -2.985
461 1HB ALA 75 1HB ALA 75 2.761 -2.132 -3.648
462 2HB ALA 75 2HB ALA 75 4.005 -0.993 -4.214
463 3HB ALA 75 3HB ALA 75 3.788 -2.555 -5.038
464 HA PRO 76 HA PRO 76 8.805 -2.926 -3.737
465 2HB PRO 76 2HB PRO 76 9.560 -4.605 -2.353
466 2HG PRO 76 2HG PRO 76 7.929 -6.074 -1.644
467 2HD PRO 76 2HD PRO 76 6.065 -4.747 -1.857
468 H LEU 77 H LEU 77 10.420 -4.328 -5.375
469 HA LEU 77 HA LEU 77 9.908 -3.428 -7.813
470 2HB LEU 77 2HB LEU 77 11.002 -5.774 -8.514
471 HG LEU 77 HG LEU 77 12.063 -3.359 -8.288
472 1HD1 LEU 77 1HD1 LEU 77 12.352 -4.314 -5.646
473 2HD1 LEU 77 2HD1 LEU 77 13.978 -4.318 -6.372
474 3HD1 LEU 77 3HD1 LEU 77 13.012 -2.823 -6.359
475 1HD2 LEU 77 1HD2 LEU 77 12.865 -5.585 -9.446
476 2HD2 LEU 77 2HD2 LEU 77 13.972 -4.207 -9.234
477 3HD2 LEU 77 3HD2 LEU 77 14.049 -5.591 -8.117
478 H LYS 78 H LYS 78 8.205 -3.474 -9.166
479 HA LYS 78 HA LYS 78 6.319 -5.672 -8.879
480 2HB LYS 78 2HB LYS 78 5.642 -3.549 -10.777
481 2HG LYS 78 2HG LYS 78 3.995 -5.131 -9.815
482 2HD LYS 78 2HD LYS 78 3.855 -3.928 -7.152
483 2HE LYS 78 2HE LYS 78 3.673 -6.570 -8.472
484 1HZ LYS 78 1HZ LYS 78 4.961 -6.266 -5.866
485 2HZ LYS 78 2HZ LYS 78 4.088 -7.600 -6.220
486 3HZ LYS 78 3HZ LYS 78 5.403 -7.224 -7.113
487 HA PRO 79 HA PRO 79 7.866 -7.538 -12.469
488 2HB PRO 79 2HB PRO 79 7.290 -9.631 -11.705
489 2HG PRO 79 2HG PRO 79 5.708 -9.643 -10.026
490 2HD PRO 79 2HD PRO 79 6.019 -7.536 -9.159
491 H ALA 80 H ALA 80 7.050 -5.148 -13.147
492 HA ALA 80 HA ALA 80 5.898 -5.664 -15.704
493 1HB ALA 80 1HB ALA 80 4.270 -4.363 -13.508
494 2HB ALA 80 2HB ALA 80 3.992 -3.968 -15.221
495 3HB ALA 80 3HB ALA 80 3.788 -5.641 -14.649
496 H LYS 81 H LYS 81 5.784 -3.569 -16.992
497 HA LYS 81 HA LYS 81 6.794 -1.185 -16.035
498 2HB LYS 81 2HB LYS 81 9.054 -2.326 -17.558
499 2HG LYS 81 2HG LYS 81 9.648 -1.139 -14.973
500 2HD LYS 81 2HD LYS 81 10.273 -0.765 -17.847
501 2HE LYS 81 2HE LYS 81 9.625 1.568 -16.147
502 1HZ LYS 81 1HZ LYS 81 12.248 1.109 -16.378
503 2HZ LYS 81 2HZ LYS 81 11.974 2.047 -17.687
504 3HZ LYS 81 3HZ LYS 81 11.578 2.587 -16.197
505 H SER 82 H SER 82 4.704 -2.109 -17.704
506 HA SER 82 HA SER 82 5.005 -2.301 -20.305
507 2HB SER 82 2HB SER 82 2.786 -1.829 -20.351
508 HG SER 82 HG SER 82 1.881 -1.169 -18.149
509 H ALA 83 H ALA 83 5.551 -1.020 -22.117
510 HA ALA 83 HA ALA 83 7.295 1.128 -21.654
511 1HB ALA 83 1HB ALA 83 7.410 -0.391 -23.599
512 2HB ALA 83 2HB ALA 83 5.854 0.243 -24.188
513 3HB ALA 83 3HB ALA 83 7.278 1.308 -24.116
Start of MODEL 4
1 H MET 1 H MET 1 4.986 20.209 -4.506
2 HA MET 1 HA MET 1 6.901 20.516 -6.104
3 2HB MET 1 2HB MET 1 7.945 19.320 -3.538
4 2HG MET 1 2HG MET 1 9.169 20.945 -5.193
5 1HE MET 1 1HE MET 1 9.636 23.332 -3.059
6 2HE MET 1 2HE MET 1 8.730 24.791 -3.526
7 3HE MET 1 3HE MET 1 8.046 23.663 -2.333
8 H PHE 2 H PHE 2 8.816 19.537 -7.001
9 HA PHE 2 HA PHE 2 9.975 17.911 -7.931
10 2HB PHE 2 2HB PHE 2 10.678 16.168 -6.433
11 HD1 PHE 2 HD1 PHE 2 11.823 18.528 -5.987
12 HD2 PHE 2 HD2 PHE 2 8.732 16.847 -3.613
13 HE1 PHE 2 HE1 PHE 2 12.522 19.969 -4.055
14 HE2 PHE 2 HE2 PHE 2 9.432 18.289 -1.681
15 HZ PHE 2 HZ PHE 2 11.318 19.833 -1.925
16 HA PRO 3 HA PRO 3 7.166 15.430 -10.107
17 2HB PRO 3 2HB PRO 3 8.470 15.493 -12.004
18 2HG PRO 3 2HG PRO 3 10.693 15.981 -11.628
19 2HD PRO 3 2HD PRO 3 10.531 17.108 -9.631
20 H ALA 4 H ALA 4 9.556 12.922 -9.974
21 HA ALA 4 HA ALA 4 8.233 10.794 -9.526
22 1HB ALA 4 1HB ALA 4 10.709 11.074 -9.217
23 2HB ALA 4 2HB ALA 4 10.400 11.612 -7.548
24 3HB ALA 4 3HB ALA 4 9.970 9.957 -8.045
25 H MET 5 H MET 5 8.980 12.756 -6.552
26 HA MET 5 HA MET 5 6.555 11.638 -5.413
27 2HB MET 5 2HB MET 5 7.567 12.084 -3.276
28 2HG MET 5 2HG MET 5 10.001 11.379 -3.524
29 1HE MET 5 1HE MET 5 10.456 9.552 -5.848
30 2HE MET 5 2HE MET 5 9.822 7.939 -5.443
31 3HE MET 5 3HE MET 5 8.972 8.957 -6.630
32 HA PRO 6 HA PRO 6 4.878 15.656 -6.147
33 2HB PRO 6 2HB PRO 6 3.097 14.841 -7.358
34 2HG PRO 6 2HG PRO 6 2.769 12.566 -7.176
35 2HD PRO 6 2HD PRO 6 4.890 11.893 -6.598
36 H LEU 7 H LEU 7 2.764 16.803 -4.918
37 HA LEU 7 HA LEU 7 3.895 17.099 -2.282
38 2HB LEU 7 2HB LEU 7 1.464 18.510 -3.339
39 HG LEU 7 HG LEU 7 2.674 20.479 -2.229
40 1HD1 LEU 7 1HD1 LEU 7 0.809 18.611 -1.277
41 2HD1 LEU 7 2HD1 LEU 7 1.943 18.885 0.067
42 3HD1 LEU 7 3HD1 LEU 7 1.099 20.263 -0.680
43 1HD2 LEU 7 1HD2 LEU 7 4.776 18.871 -1.955
44 2HD2 LEU 7 2HD2 LEU 7 4.427 20.187 -0.809
45 3HD2 LEU 7 3HD2 LEU 7 3.976 18.514 -0.405
46 H SER 8 H SER 8 3.312 15.831 -0.611
47 HA SER 8 HA SER 8 0.566 15.343 -0.151
48 2HB SER 8 2HB SER 8 0.342 13.135 -0.706
49 HG SER 8 HG SER 8 1.126 12.923 -2.690
50 H SER 9 H SER 9 2.107 16.787 1.455
51 HA SER 9 HA SER 9 2.620 14.971 3.651
52 2HB SER 9 2HB SER 9 4.834 15.355 2.680
53 HG SER 9 HG SER 9 5.227 17.975 3.209
54 H LEU 10 H LEU 10 0.653 15.754 4.604
55 HA LEU 10 HA LEU 10 -0.238 17.062 6.217
56 2HB LEU 10 2HB LEU 10 0.634 19.133 6.902
57 HG LEU 10 HG LEU 10 2.605 17.040 6.339
58 1HD1 LEU 10 1HD1 LEU 10 3.375 19.819 5.883
59 2HD1 LEU 10 2HD1 LEU 10 4.341 19.032 7.154
60 3HD1 LEU 10 3HD1 LEU 10 4.248 18.309 5.529
61 1HD2 LEU 10 1HD2 LEU 10 1.311 18.028 8.535
62 2HD2 LEU 10 2HD2 LEU 10 2.757 16.991 8.574
63 3HD2 LEU 10 3HD2 LEU 10 2.926 18.758 8.705
64 H PHE 11 H PHE 11 -0.917 16.600 3.362
65 HA PHE 11 HA PHE 11 -3.132 18.277 3.224
66 2HB PHE 11 2HB PHE 11 -1.142 18.858 0.998
67 HD1 PHE 11 HD1 PHE 11 -3.196 19.289 -0.316
68 HD2 PHE 11 HD2 PHE 11 -2.329 21.458 3.228
69 HE1 PHE 11 HE1 PHE 11 -4.873 21.037 -0.974
70 HE2 PHE 11 HE2 PHE 11 -4.006 23.205 2.569
71 HZ PHE 11 HZ PHE 11 -5.258 22.974 0.476
72 H VAL 12 H VAL 12 -2.276 15.449 2.976
73 HA VAL 12 HA VAL 12 -2.225 14.618 0.324
74 HB VAL 12 HB VAL 12 -1.624 13.299 2.338
75 1HG1 VAL 12 1HG1 VAL 12 -3.632 13.977 3.687
76 2HG1 VAL 12 2HG1 VAL 12 -4.610 12.880 2.682
77 3HG1 VAL 12 3HG1 VAL 12 -3.296 12.229 3.692
78 1HG2 VAL 12 1HG2 VAL 12 -3.267 12.351 0.073
79 2HG2 VAL 12 2HG2 VAL 12 -1.679 11.796 0.655
80 3HG2 VAL 12 3HG2 VAL 12 -3.166 11.226 1.449
81 H ASN 13 H ASN 13 -5.022 14.780 2.644
82 HA ASN 13 HA ASN 13 -6.744 14.651 0.311
83 2HB ASN 13 2HB ASN 13 -8.556 14.301 2.142
84 1HD2 ASN 13 2HD2 ASN 13 -9.085 12.156 2.754
85 2HD2 ASN 13 1HD2 ASN 13 -8.260 10.791 2.080
86 H GLY 14 H GLY 14 -5.189 17.074 1.185
87 1HA GLY 14 1HA GLY 14 -5.997 19.279 0.807
88 2HA GLY 14 2HA GLY 14 -7.473 18.879 1.663
89 HA PRO 15 HA PRO 15 -5.612 20.419 5.268
90 2HB PRO 15 2HB PRO 15 -7.660 20.799 6.249
91 2HG PRO 15 2HG PRO 15 -9.392 19.549 5.379
92 2HD PRO 15 2HD PRO 15 -8.561 19.104 3.282
93 H ARG 16 H ARG 16 -3.774 20.024 6.333
94 HA ARG 16 HA ARG 16 -2.616 17.604 6.166
95 2HB ARG 16 2HB ARG 16 -1.568 19.816 6.902
96 2HG ARG 16 2HG ARG 16 -1.462 20.115 9.428
97 2HD ARG 16 2HD ARG 16 -3.624 21.267 9.603
98 HE ARG 16 HE ARG 16 -1.889 21.699 7.434
99 1HH1 ARG 16 1HH1 ARG 16 -5.302 22.213 8.114
100 2HH1 ARG 16 2HH1 ARG 16 -5.440 23.575 7.052
101 1HH2 ARG 16 1HH2 ARG 16 -2.068 23.495 6.033
102 2HH2 ARG 16 2HH2 ARG 16 -3.589 24.308 5.859
103 H THR 17 H THR 17 -5.212 18.614 8.276
104 HA THR 17 HA THR 17 -4.774 16.322 10.055
105 HB THR 17 HB THR 17 -6.687 18.707 10.266
106 HG1 THR 17 HG1 THR 17 -4.086 18.023 11.450
107 1HG2 THR 17 1HG2 THR 17 -5.971 16.363 12.028
108 2HG2 THR 17 2HG2 THR 17 -6.151 17.952 12.810
109 3HG2 THR 17 3HG2 THR 17 -7.511 17.248 11.901
110 H LEU 18 H LEU 18 -5.671 16.169 7.173
111 HA LEU 18 HA LEU 18 -8.435 15.354 7.483
112 2HB LEU 18 2HB LEU 18 -6.724 15.159 5.013
113 HG LEU 18 HG LEU 18 -8.717 15.429 3.762
114 1HD1 LEU 18 1HD1 LEU 18 -8.274 13.150 4.610
115 2HD1 LEU 18 2HD1 LEU 18 -9.358 13.472 5.985
116 3HD1 LEU 18 3HD1 LEU 18 -10.005 13.460 4.327
117 1HD2 LEU 18 1HD2 LEU 18 -9.913 16.273 6.372
118 2HD2 LEU 18 2HD2 LEU 18 -10.050 17.005 4.755
119 3HD2 LEU 18 3HD2 LEU 18 -10.962 15.526 5.142
120 H CYS 19 H CYS 19 -6.333 13.556 5.311
121 HA CYS 19 HA CYS 19 -6.856 11.201 6.946
122 2HB CYS 19 2HB CYS 19 -5.704 10.499 4.448
123 H GLY 20 H GLY 20 -4.719 13.422 7.299
124 1HA GLY 20 1HA GLY 20 -2.490 13.627 7.637
125 2HA GLY 20 2HA GLY 20 -2.669 12.049 8.379
126 H ALA 21 H ALA 21 -1.387 13.851 5.680
127 HA ALA 21 HA ALA 21 -1.092 11.901 3.758
128 1HB ALA 21 1HB ALA 21 -0.525 14.468 3.831
129 2HB ALA 21 2HB ALA 21 1.085 13.906 4.343
130 3HB ALA 21 3HB ALA 21 0.419 13.387 2.776
131 H GLU 22 H GLU 22 0.201 12.034 6.960
132 HA GLU 22 HA GLU 22 2.657 10.978 6.768
133 2HB GLU 22 2HB GLU 22 0.835 9.730 8.802
134 2HG GLU 22 2HG GLU 22 3.504 11.211 8.853
135 H LEU 23 H LEU 23 -0.375 9.487 5.834
136 HA LEU 23 HA LEU 23 0.383 6.798 6.071
137 2HB LEU 23 2HB LEU 23 -1.451 6.472 4.368
138 HG LEU 23 HG LEU 23 -2.047 8.107 6.843
139 1HD1 LEU 23 1HD1 LEU 23 -3.747 7.986 4.711
140 2HD1 LEU 23 2HD1 LEU 23 -4.263 6.573 5.661
141 3HD1 LEU 23 3HD1 LEU 23 -4.244 8.188 6.408
142 1HD2 LEU 23 1HD2 LEU 23 -2.232 5.151 6.212
143 2HD2 LEU 23 2HD2 LEU 23 -1.146 5.954 7.372
144 3HD2 LEU 23 3HD2 LEU 23 -2.898 5.909 7.678
145 H VAL 24 H VAL 24 0.909 9.304 3.570
146 HA VAL 24 HA VAL 24 2.034 7.381 1.747
147 HB VAL 24 HB VAL 24 0.980 9.029 0.589
148 1HG1 VAL 24 1HG1 VAL 24 1.954 11.007 2.674
149 2HG1 VAL 24 2HG1 VAL 24 1.063 11.466 1.201
150 3HG1 VAL 24 3HG1 VAL 24 0.292 10.423 2.421
151 1HG2 VAL 24 1HG2 VAL 24 3.707 9.014 0.356
152 2HG2 VAL 24 2HG2 VAL 24 2.596 9.891 -0.724
153 3HG2 VAL 24 3HG2 VAL 24 3.382 10.743 0.627
154 H ASP 25 H ASP 25 3.150 9.964 4.001
155 HA ASP 25 HA ASP 25 5.842 9.662 3.253
156 2HB ASP 25 2HB ASP 25 5.780 10.695 5.880
157 H ALA 26 H ALA 26 3.641 7.737 5.034
158 HA ALA 26 HA ALA 26 5.492 6.787 7.016
159 1HB ALA 26 1HB ALA 26 2.656 6.201 6.174
160 2HB ALA 26 2HB ALA 26 3.520 5.052 7.223
161 3HB ALA 26 3HB ALA 26 3.280 6.734 7.753
162 H LEU 27 H LEU 27 3.791 5.317 4.151
163 HA LEU 27 HA LEU 27 5.152 2.938 4.145
164 2HB LEU 27 2HB LEU 27 4.570 2.860 1.733
165 HG LEU 27 HG LEU 27 2.696 3.141 3.889
166 1HD1 LEU 27 1HD1 LEU 27 2.195 5.137 2.086
167 2HD1 LEU 27 2HD1 LEU 27 1.180 3.814 1.461
168 3HD1 LEU 27 3HD1 LEU 27 0.981 4.371 3.140
169 1HD2 LEU 27 1HD2 LEU 27 3.368 1.218 2.167
170 2HD2 LEU 27 2HD2 LEU 27 1.796 1.255 3.000
171 3HD2 LEU 27 3HD2 LEU 27 1.929 1.839 1.324
172 H GLN 28 H GLN 28 6.064 6.089 2.634
173 HA GLN 28 HA GLN 28 8.486 4.945 1.653
174 2HB GLN 28 2HB GLN 28 8.202 7.911 1.742
175 2HG GLN 28 2HG GLN 28 9.895 6.562 0.367
176 1HE2 GLN 28 2HE2 GLN 28 8.393 7.046 -2.428
177 2HE2 GLN 28 1HE2 GLN 28 7.870 5.450 -2.853
178 H PHE 29 H PHE 29 7.363 6.236 4.639
179 HA PHE 29 HA PHE 29 9.644 7.573 5.530
180 2HB PHE 29 2HB PHE 29 7.076 6.507 6.479
181 HD1 PHE 29 HD1 PHE 29 10.328 6.865 8.294
182 HD2 PHE 29 HD2 PHE 29 6.485 5.069 8.171
183 HE1 PHE 29 HE1 PHE 29 10.864 5.572 10.379
184 HE2 PHE 29 HE2 PHE 29 7.022 3.778 10.255
185 HZ PHE 29 HZ PHE 29 9.205 4.044 11.333
186 H VAL 30 H VAL 30 8.718 4.106 5.497
187 HA VAL 30 HA VAL 30 11.209 3.478 6.894
188 HB VAL 30 HB VAL 30 8.677 1.948 6.313
189 1HG1 VAL 30 1HG1 VAL 30 11.398 0.928 6.925
190 2HG1 VAL 30 2HG1 VAL 30 10.066 0.234 7.879
191 3HG1 VAL 30 3HG1 VAL 30 10.032 0.139 6.102
192 1HG2 VAL 30 1HG2 VAL 30 9.420 3.604 8.423
193 2HG2 VAL 30 2HG2 VAL 30 8.100 2.409 8.426
194 3HG2 VAL 30 3HG2 VAL 30 9.707 1.961 9.045
195 H CYS 31 H CYS 31 9.637 3.515 3.760
196 HA CYS 31 HA CYS 31 11.584 1.658 2.680
197 2HB CYS 31 2HB CYS 31 10.000 2.760 0.618
198 H GLY 32 H GLY 32 10.851 5.085 3.060
199 1HA GLY 32 1HA GLY 32 13.302 6.082 2.480
200 2HA GLY 32 2HA GLY 32 12.544 5.982 0.904
201 H ASP 33 H ASP 33 12.906 7.869 3.734
202 HA ASP 33 HA ASP 33 10.475 9.082 3.990
203 2HB ASP 33 2HB ASP 33 11.732 10.974 4.981
204 H ARG 34 H ARG 34 11.068 8.648 1.138
205 HA ARG 34 HA ARG 34 11.480 11.357 0.194
206 2HB ARG 34 2HB ARG 34 11.870 10.338 -2.016
207 2HG ARG 34 2HG ARG 34 13.513 8.344 -1.007
208 2HD ARG 34 2HD ARG 34 13.825 10.876 -2.109
209 HE ARG 34 HE ARG 34 14.440 12.282 -0.362
210 1HH1 ARG 34 1HH1 ARG 34 15.402 9.001 0.471
211 2HH1 ARG 34 2HH1 ARG 34 16.132 9.460 1.973
212 1HH2 ARG 34 1HH2 ARG 34 15.403 12.888 1.620
213 2HH2 ARG 34 2HH2 ARG 34 16.133 11.686 2.631
214 H GLY 35 H GLY 35 8.995 9.255 1.089
215 1HA GLY 35 1HA GLY 35 6.744 9.779 0.962
216 2HA GLY 35 2HA GLY 35 7.036 10.793 -0.438
217 H PHE 36 H PHE 36 5.417 8.106 0.407
218 HA PHE 36 HA PHE 36 6.096 6.676 -2.065
219 2HB PHE 36 2HB PHE 36 4.773 5.875 0.595
220 HD1 PHE 36 HD1 PHE 36 6.473 4.048 -2.179
221 HD2 PHE 36 HD2 PHE 36 3.010 4.417 0.245
222 HE1 PHE 36 HE1 PHE 36 5.527 1.965 -3.213
223 HE2 PHE 36 HE2 PHE 36 2.064 2.335 -0.789
224 HZ PHE 36 HZ PHE 36 3.333 1.134 -2.506
225 H TYR 37 H TYR 37 3.966 5.246 -2.698
226 HA TYR 37 HA TYR 37 1.889 7.272 -3.082
227 2HB TYR 37 2HB TYR 37 1.858 4.559 -4.397
228 HD1 TYR 37 HD1 TYR 37 0.128 7.255 -4.137
229 HD2 TYR 37 HD2 TYR 37 2.665 5.563 -7.137
230 HE1 TYR 37 HE1 TYR 37 -1.151 8.515 -5.938
231 HE2 TYR 37 HE2 TYR 37 1.379 6.829 -8.929
232 HH TYR 37 HH TYR 37 -1.092 9.176 -8.055
233 H PHE 38 H PHE 38 -0.068 5.163 -3.873
234 HA PHE 38 HA PHE 38 -0.531 3.783 -1.361
235 2HB PHE 38 2HB PHE 38 -2.963 4.742 -1.547
236 HD1 PHE 38 HD1 PHE 38 -0.341 4.835 0.179
237 HD2 PHE 38 HD2 PHE 38 -2.914 7.809 -1.416
238 HE1 PHE 38 HE1 PHE 38 0.318 6.398 2.028
239 HE2 PHE 38 HE2 PHE 38 -2.255 9.371 0.434
240 HZ PHE 38 HZ PHE 38 -0.646 8.647 2.134
241 H ASN 39 H ASN 39 -3.414 4.159 -3.105
242 HA ASN 39 HA ASN 39 -3.057 1.518 -4.195
243 2HB ASN 39 2HB ASN 39 -5.495 3.350 -3.919
244 1HD2 ASN 39 2HD2 ASN 39 -5.780 2.959 -6.248
245 2HD2 ASN 39 1HD2 ASN 39 -6.562 1.504 -6.772
246 H LYS 40 H LYS 40 -1.832 1.839 -6.140
247 HA LYS 40 HA LYS 40 -2.908 3.796 -8.031
248 2HB LYS 40 2HB LYS 40 -0.445 3.776 -7.266
249 2HG LYS 40 2HG LYS 40 -0.182 1.692 -9.455
250 2HD LYS 40 2HD LYS 40 1.709 2.085 -7.140
251 2HE LYS 40 2HE LYS 40 1.698 0.654 -9.601
252 1HZ LYS 40 1HZ LYS 40 2.677 3.112 -10.103
253 2HZ LYS 40 2HZ LYS 40 4.031 2.253 -9.795
254 3HZ LYS 40 3HZ LYS 40 3.005 1.768 -10.970
255 HA PRO 41 HA PRO 41 -4.547 0.500 -10.312
256 2HB PRO 41 2HB PRO 41 -6.252 1.822 -11.116
257 2HG PRO 41 2HG PRO 41 -5.860 4.090 -10.976
258 2HD PRO 41 2HD PRO 41 -4.331 4.134 -9.258
259 H THR 42 H THR 42 -2.598 -0.720 -10.401
260 HA THR 42 HA THR 42 -0.485 -0.310 -11.988
261 HB THR 42 HB THR 42 -1.725 -3.054 -12.072
262 HG1 THR 42 HG1 THR 42 -0.863 -1.546 -9.703
263 1HG2 THR 42 1HG2 THR 42 0.948 -1.776 -11.578
264 2HG2 THR 42 2HG2 THR 42 0.584 -3.229 -10.618
265 3HG2 THR 42 3HG2 THR 42 0.565 -3.309 -12.397
266 H GLY 43 H GLY 43 0.194 -1.137 -14.125
267 1HA GLY 43 1HA GLY 43 -1.045 -0.021 -16.214
268 2HA GLY 43 2HA GLY 43 -0.121 -1.504 -16.343
269 H TYR 44 H TYR 44 -1.157 -3.449 -16.796
270 HA TYR 44 HA TYR 44 -3.970 -3.228 -17.436
271 2HB TYR 44 2HB TYR 44 -3.113 -4.665 -19.050
272 HD1 TYR 44 HD1 TYR 44 -1.212 -3.287 -19.788
273 HD2 TYR 44 HD2 TYR 44 -0.733 -6.298 -16.787
274 HE1 TYR 44 HE1 TYR 44 1.310 -3.188 -20.082
275 HE2 TYR 44 HE2 TYR 44 1.789 -6.190 -17.091
276 HH TYR 44 HH TYR 44 3.403 -5.498 -18.482
277 H GLY 45 H GLY 45 -4.699 -5.973 -17.088
278 1HA GLY 45 1HA GLY 45 -5.689 -5.929 -14.470
279 2HA GLY 45 2HA GLY 45 -5.675 -7.301 -15.561
280 H SER 46 H SER 46 -3.372 -5.366 -13.515
281 HA SER 46 HA SER 46 -1.656 -7.615 -13.270
282 2HB SER 46 2HB SER 46 -1.620 -5.013 -11.682
283 HG SER 46 HG SER 46 0.674 -5.477 -11.606
284 H SER 47 H SER 47 -3.568 -8.998 -12.428
285 HA SER 47 HA SER 47 -4.506 -8.422 -9.833
286 2HB SER 47 2HB SER 47 -4.620 -10.940 -11.547
287 HG SER 47 HG SER 47 -5.591 -11.922 -9.919
288 H SER 48 H SER 48 -2.238 -8.084 -8.906
289 HA SER 48 HA SER 48 -1.020 -10.657 -8.287
290 2HB SER 48 2HB SER 48 0.991 -9.197 -7.638
291 HG SER 48 HG SER 48 1.328 -8.563 -10.032
292 H ARG 49 H ARG 49 0.223 -10.468 -5.993
293 HA ARG 49 HA ARG 49 -1.485 -10.638 -4.040
294 2HB ARG 49 2HB ARG 49 0.609 -9.258 -2.751
295 2HG ARG 49 2HG ARG 49 -0.367 -11.900 -2.964
296 2HD ARG 49 2HD ARG 49 2.159 -12.909 -2.864
297 HE ARG 49 HE ARG 49 0.052 -12.985 -4.803
298 1HH1 ARG 49 1HH1 ARG 49 3.501 -13.627 -4.535
299 2HH1 ARG 49 2HH1 ARG 49 3.509 -14.812 -5.799
300 1HH2 ARG 49 1HH2 ARG 49 0.061 -14.549 -6.469
301 2HH2 ARG 49 2HH2 ARG 49 1.538 -15.340 -6.906
302 H ARG 50 H ARG 50 -3.132 -9.341 -3.291
303 HA ARG 50 HA ARG 50 -3.767 -6.928 -3.989
304 2HB ARG 50 2HB ARG 50 -5.226 -8.034 -2.458
305 2HG ARG 50 2HG ARG 50 -2.724 -8.311 -0.827
306 2HD ARG 50 2HD ARG 50 -5.240 -7.345 0.318
307 HE ARG 50 HE ARG 50 -4.544 -9.563 1.988
308 1HH1 ARG 50 2HH1 ARG 50 -6.234 -8.883 -1.022
309 2HH1 ARG 50 1HH1 ARG 50 -7.284 -10.253 -0.891
310 1HH2 ARG 50 1HH2 ARG 50 -5.928 -11.373 2.161
311 2HH2 ARG 50 2HH2 ARG 50 -7.109 -11.680 0.931
312 H ALA 51 H ALA 51 -2.312 -5.239 -4.328
313 HA ALA 51 HA ALA 51 -0.923 -4.267 -1.938
314 1HB ALA 51 1HB ALA 51 0.224 -4.784 -4.702
315 2HB ALA 51 2HB ALA 51 0.994 -3.685 -3.532
316 3HB ALA 51 3HB ALA 51 0.797 -5.409 -3.136
317 H CYS 52 H CYS 52 -3.020 -2.967 -1.997
318 HA CYS 52 HA CYS 52 -2.615 -0.418 -2.614
319 2HB CYS 52 2HB CYS 52 -2.308 -0.574 -4.912
320 HG CYS 52 HG CYS 52 -4.492 -1.857 -6.383
321 H GLN 53 H GLN 53 -5.112 -2.953 -3.386
322 HA GLN 53 HA GLN 53 -7.355 -1.647 -2.853
323 2HB GLN 53 2HB GLN 53 -6.678 -4.281 -3.200
324 2HG GLN 53 2HG GLN 53 -7.941 -4.049 -0.427
325 1HE2 GLN 53 2HE2 GLN 53 -8.661 -5.912 0.440
326 2HE2 GLN 53 1HE2 GLN 53 -8.807 -7.415 -0.408
327 H THR 54 H THR 54 -4.798 -2.357 -0.564
328 HA THR 54 HA THR 54 -6.469 -1.993 1.761
329 HB THR 54 HB THR 54 -3.481 -1.860 1.929
330 HG1 THR 54 HG1 THR 54 -3.271 -3.885 0.951
331 1HG2 THR 54 1HG2 THR 54 -5.672 -3.617 3.151
332 2HG2 THR 54 2HG2 THR 54 -3.937 -3.818 3.493
333 3HG2 THR 54 3HG2 THR 54 -4.771 -2.320 3.970
334 H GLY 55 H GLY 55 -6.656 0.152 -0.168
335 1HA GLY 55 1HA GLY 55 -5.506 2.370 -0.267
336 2HA GLY 55 2HA GLY 55 -7.066 2.387 0.530
337 H ILE 56 H ILE 56 -3.542 2.508 0.978
338 HA ILE 56 HA ILE 56 -3.479 2.432 3.761
339 HB ILE 56 HB ILE 56 -1.689 2.812 1.605
340 2HG1 ILE 56 2HG1 ILE 56 -1.014 2.541 4.543
341 1HG2 ILE 56 1HG2 ILE 56 -2.013 5.283 2.491
342 2HG2 ILE 56 2HG2 ILE 56 -0.883 4.728 3.751
343 3HG2 ILE 56 3HG2 ILE 56 -0.411 4.655 2.036
344 1HD1 ILE 56 1HD1 ILE 56 -2.667 0.833 2.916
345 2HD1 ILE 56 2HD1 ILE 56 -1.098 0.027 3.155
346 3HD1 ILE 56 3HD1 ILE 56 -2.060 0.537 4.563
347 H VAL 57 H VAL 57 -5.065 4.616 1.726
348 HA VAL 57 HA VAL 57 -4.862 6.729 3.760
349 HB VAL 57 HB VAL 57 -5.997 7.812 1.461
350 1HG1 VAL 57 1HG1 VAL 57 -4.401 8.862 3.062
351 2HG1 VAL 57 2HG1 VAL 57 -3.084 7.930 2.311
352 3HG1 VAL 57 3HG1 VAL 57 -3.975 9.140 1.358
353 1HG2 VAL 57 1HG2 VAL 57 -5.278 5.779 0.219
354 2HG2 VAL 57 2HG2 VAL 57 -4.494 7.268 -0.362
355 3HG2 VAL 57 3HG2 VAL 57 -3.593 6.134 0.672
356 H ASP 58 H ASP 58 -7.025 4.877 1.542
357 HA ASP 58 HA ASP 58 -9.305 5.990 2.888
358 2HB ASP 58 2HB ASP 58 -8.918 4.067 0.562
359 H GLU 59 H GLU 59 -7.260 3.095 2.774
360 HA GLU 59 HA GLU 59 -9.202 1.547 4.238
361 2HB GLU 59 2HB GLU 59 -6.420 0.538 3.714
362 2HG GLU 59 2HG GLU 59 -8.540 -1.143 2.750
363 H CYS 60 H CYS 60 -6.409 3.591 4.757
364 HA CYS 60 HA CYS 60 -5.785 2.423 7.307
365 2HB CYS 60 2HB CYS 60 -4.336 4.619 7.377
366 H CYS 61 H CYS 61 -7.394 5.337 5.905
367 HA CYS 61 HA CYS 61 -7.879 6.545 8.407
368 2HB CYS 61 2HB CYS 61 -9.743 7.671 6.823
369 H PHE 62 H PHE 62 -9.608 4.263 6.237
370 HA PHE 62 HA PHE 62 -11.957 4.312 7.912
371 2HB PHE 62 2HB PHE 62 -11.098 2.513 5.566
372 HD1 PHE 62 HD1 PHE 62 -14.032 4.150 7.209
373 HD2 PHE 62 HD2 PHE 62 -12.576 0.852 4.969
374 HE1 PHE 62 HE1 PHE 62 -16.294 3.069 7.332
375 HE2 PHE 62 HE2 PHE 62 -14.838 -0.229 5.091
376 HZ PHE 62 HZ PHE 62 -16.669 0.892 6.271
377 H ARG 63 H ARG 63 -9.386 1.943 6.930
378 HA ARG 63 HA ARG 63 -10.279 0.303 9.152
379 2HB ARG 63 2HB ARG 63 -8.199 -0.771 7.297
380 2HG ARG 63 2HG ARG 63 -10.936 -1.934 7.894
381 2HD ARG 63 2HD ARG 63 -8.419 -2.844 6.720
382 HE ARG 63 HE ARG 63 -7.742 -4.243 8.453
383 1HH1 ARG 63 1HH1 ARG 63 -11.248 -3.961 8.562
384 2HH1 ARG 63 2HH1 ARG 63 -11.425 -5.075 9.877
385 1HH2 ARG 63 1HH2 ARG 63 -7.974 -5.714 10.187
386 2HH2 ARG 63 2HH2 ARG 63 -9.550 -6.078 10.807
387 H SER 64 H SER 64 -9.193 1.341 10.903
388 HA SER 64 HA SER 64 -6.982 2.573 11.176
389 2HB SER 64 2HB SER 64 -8.167 1.886 13.147
390 HG SER 64 HG SER 64 -7.205 -0.716 13.350
391 H CYS 65 H CYS 65 -5.290 2.315 9.678
392 HA CYS 65 HA CYS 65 -3.806 -0.190 9.966
393 2HB CYS 65 2HB CYS 65 -5.158 0.575 7.662
394 H ASP 66 H ASP 66 -2.233 0.685 11.367
395 HA ASP 66 HA ASP 66 -1.270 3.258 11.176
396 2HB ASP 66 2HB ASP 66 0.532 2.483 12.658
397 H LEU 67 H LEU 67 1.648 1.759 11.325
398 HA LEU 67 HA LEU 67 2.229 2.332 8.539
399 2HB LEU 67 2HB LEU 67 4.505 2.406 9.194
400 HG LEU 67 HG LEU 67 2.604 4.000 10.622
401 1HD1 LEU 67 1HD1 LEU 67 3.550 2.702 12.594
402 2HD1 LEU 67 2HD1 LEU 67 5.090 3.534 12.270
403 3HD1 LEU 67 3HD1 LEU 67 3.639 4.477 12.683
404 1HD2 LEU 67 1HD2 LEU 67 4.716 4.389 8.948
405 2HD2 LEU 67 2HD2 LEU 67 3.909 5.670 9.885
406 3HD2 LEU 67 3HD2 LEU 67 5.401 4.921 10.503
407 H ARG 68 H ARG 68 1.484 -0.335 10.608
408 HA ARG 68 HA ARG 68 2.981 -2.360 9.913
409 2HB ARG 68 2HB ARG 68 0.588 -3.619 9.613
410 2HG ARG 68 2HG ARG 68 0.368 -3.526 12.141
411 2HD ARG 68 2HD ARG 68 2.851 -4.241 10.639
412 HE ARG 68 HE ARG 68 3.245 -3.191 13.196
413 1HH1 ARG 68 1HH1 ARG 68 3.629 -6.356 11.707
414 2HH1 ARG 68 2HH1 ARG 68 4.915 -6.837 12.762
415 1HH2 ARG 68 1HH2 ARG 68 4.942 -3.827 14.588
416 2HH2 ARG 68 2HH2 ARG 68 5.667 -5.389 14.412
417 H ARG 69 H ARG 69 0.473 -0.848 7.797
418 HA ARG 69 HA ARG 69 0.778 -2.723 5.746
419 2HB ARG 69 2HB ARG 69 -0.093 -0.064 4.834
420 2HG ARG 69 2HG ARG 69 -0.862 -2.050 3.686
421 2HD ARG 69 2HD ARG 69 -1.066 -3.106 6.403
422 HE ARG 69 HE ARG 69 -3.599 -2.650 5.490
423 1HH1 ARG 69 1HH1 ARG 69 -1.704 -5.606 5.719
424 2HH1 ARG 69 2HH1 ARG 69 -3.087 -6.628 5.933
425 1HH2 ARG 69 1HH2 ARG 69 -5.423 -3.997 5.771
426 2HH2 ARG 69 2HH2 ARG 69 -5.217 -5.706 5.962
427 H LEU 70 H LEU 70 2.186 0.522 6.454
428 HA LEU 70 HA LEU 70 3.396 1.140 4.123
429 2HB LEU 70 2HB LEU 70 3.594 1.882 6.837
430 HG LEU 70 HG LEU 70 5.795 0.840 7.013
431 1HD1 LEU 70 1HD1 LEU 70 6.036 1.479 4.296
432 2HD1 LEU 70 2HD1 LEU 70 7.255 2.474 5.127
433 3HD1 LEU 70 3HD1 LEU 70 7.251 0.708 5.343
434 1HD2 LEU 70 1HD2 LEU 70 5.312 3.712 7.181
435 2HD2 LEU 70 2HD2 LEU 70 6.114 2.612 8.327
436 3HD2 LEU 70 3HD2 LEU 70 7.036 3.316 6.978
437 H GLU 71 H GLU 71 4.474 -1.281 6.562
438 HA GLU 71 HA GLU 71 6.843 -1.839 5.124
439 2HB GLU 71 2HB GLU 71 6.068 -2.252 7.693
440 2HG GLU 71 2HG GLU 71 5.936 -5.009 6.388
441 H MET 72 H MET 72 3.542 -3.236 5.344
442 HA MET 72 HA MET 72 4.121 -5.562 3.932
443 2HB MET 72 2HB MET 72 1.424 -4.914 3.404
444 2HG MET 72 2HG MET 72 1.157 -6.095 5.804
445 1HE MET 72 1HE MET 72 3.894 -7.953 4.445
446 2HE MET 72 2HE MET 72 3.252 -9.102 3.247
447 3HE MET 72 3HE MET 72 3.656 -7.439 2.758
448 H TYR 73 H TYR 73 2.723 -2.382 2.875
449 HA TYR 73 HA TYR 73 2.753 -3.215 0.121
450 2HB TYR 73 2HB TYR 73 2.474 -0.390 1.264
451 HD1 TYR 73 HD1 TYR 73 2.708 -2.195 -1.587
452 HD2 TYR 73 HD2 TYR 73 -0.112 0.360 0.367
453 HE1 TYR 73 HE1 TYR 73 1.651 -1.636 -3.830
454 HE2 TYR 73 HE2 TYR 73 -1.160 0.911 -1.884
455 HH TYR 73 HH TYR 73 0.309 0.424 -4.721
456 H CYS 74 H CYS 74 4.898 -1.575 2.386
457 HA CYS 74 HA CYS 74 6.413 0.136 1.454
458 2HB CYS 74 2HB CYS 74 8.055 -2.325 1.538
459 H ALA 75 H ALA 75 4.985 -0.337 -0.848
460 HA ALA 75 HA ALA 75 6.452 -1.815 -2.778
461 1HB ALA 75 1HB ALA 75 3.902 -0.750 -2.541
462 2HB ALA 75 2HB ALA 75 4.657 0.304 -3.760
463 3HB ALA 75 3HB ALA 75 4.596 -1.455 -4.020
464 HA PRO 76 HA PRO 76 9.250 1.200 -4.110
465 2HB PRO 76 2HB PRO 76 10.248 -0.235 -5.609
466 2HG PRO 76 2HG PRO 76 8.894 -1.950 -6.349
467 2HD PRO 76 2HD PRO 76 7.402 -2.072 -4.604
468 H LEU 77 H LEU 77 9.576 2.672 -6.449
469 HA LEU 77 HA LEU 77 7.159 3.969 -7.100
470 2HB LEU 77 2HB LEU 77 8.720 6.001 -5.745
471 HG LEU 77 HG LEU 77 5.952 5.194 -4.914
472 1HD1 LEU 77 1HD1 LEU 77 7.634 7.258 -4.208
473 2HD1 LEU 77 2HD1 LEU 77 6.561 8.015 -5.409
474 3HD1 LEU 77 3HD1 LEU 77 5.870 7.218 -3.974
475 1HD2 LEU 77 1HD2 LEU 77 6.738 6.322 -7.582
476 2HD2 LEU 77 2HD2 LEU 77 5.511 5.098 -7.177
477 3HD2 LEU 77 3HD2 LEU 77 5.207 6.815 -6.820
478 H LYS 78 H LYS 78 8.092 3.382 -9.162
479 HA LYS 78 HA LYS 78 10.603 4.642 -9.846
480 2HB LYS 78 2HB LYS 78 9.115 3.357 -12.012
481 2HG LYS 78 2HG LYS 78 11.505 1.990 -11.093
482 2HD LYS 78 2HD LYS 78 12.183 3.539 -13.318
483 2HE LYS 78 2HE LYS 78 12.484 1.102 -13.178
484 1HZ LYS 78 1HZ LYS 78 9.791 1.149 -12.536
485 2HZ LYS 78 2HZ LYS 78 9.945 0.258 -13.896
486 3HZ LYS 78 3HZ LYS 78 10.795 -0.138 -12.559
487 HA PRO 79 HA PRO 79 8.822 8.115 -11.684
488 2HB PRO 79 2HB PRO 79 10.860 9.175 -11.843
489 2HG PRO 79 2HG PRO 79 12.682 7.761 -11.853
490 2HD PRO 79 2HD PRO 79 11.788 5.935 -10.782
491 H ALA 80 H ALA 80 6.933 8.021 -12.716
492 HA ALA 80 HA ALA 80 7.045 7.587 -15.533
493 1HB ALA 80 1HB ALA 80 5.809 5.487 -13.715
494 2HB ALA 80 2HB ALA 80 5.432 5.632 -15.448
495 3HB ALA 80 3HB ALA 80 7.092 5.257 -14.926
496 H LYS 81 H LYS 81 4.907 8.024 -16.537
497 HA LYS 81 HA LYS 81 2.650 8.678 -15.085
498 2HB LYS 81 2HB LYS 81 3.821 11.296 -15.843
499 2HG LYS 81 2HG LYS 81 2.762 11.148 -13.182
500 2HD LYS 81 2HD LYS 81 1.482 12.110 -15.785
501 2HE LYS 81 2HE LYS 81 0.341 11.910 -13.227
502 1HZ LYS 81 1HZ LYS 81 1.974 14.081 -13.176
503 2HZ LYS 81 2HZ LYS 81 0.497 14.712 -13.470
504 3HZ LYS 81 3HZ LYS 81 0.737 13.777 -12.153
505 H SER 82 H SER 82 3.439 7.302 -17.472
506 HA SER 82 HA SER 82 3.467 8.299 -19.814
507 2HB SER 82 2HB SER 82 1.079 6.524 -19.214
508 HG SER 82 HG SER 82 1.545 6.999 -21.449
509 H ALA 83 H ALA 83 2.472 9.831 -21.104
510 HA ALA 83 HA ALA 83 0.387 11.394 -19.953
511 1HB ALA 83 1HB ALA 83 2.209 12.351 -21.314
512 2HB ALA 83 2HB ALA 83 1.652 11.418 -22.724
513 3HB ALA 83 3HB ALA 83 0.621 12.696 -22.039
Start of MODEL 5
1 H MET 1 H MET 1 -3.169 13.898 -13.794
2 HA MET 1 HA MET 1 -0.973 13.757 -15.268
3 2HB MET 1 2HB MET 1 -1.030 12.146 -12.695
4 2HG MET 1 2HG MET 1 1.132 12.824 -13.849
5 1HE MET 1 1HE MET 1 1.954 13.911 -15.379
6 2HE MET 1 2HE MET 1 1.745 15.605 -15.883
7 3HE MET 1 3HE MET 1 2.965 15.186 -14.656
8 H PHE 2 H PHE 2 -2.125 12.150 -16.957
9 HA PHE 2 HA PHE 2 -2.097 10.211 -18.008
10 2HB PHE 2 2HB PHE 2 0.072 8.775 -17.197
11 HD1 PHE 2 HD1 PHE 2 -0.100 12.418 -18.034
12 HD2 PHE 2 HD2 PHE 2 1.297 8.563 -19.126
13 HE1 PHE 2 HE1 PHE 2 0.925 13.379 -20.115
14 HE2 PHE 2 HE2 PHE 2 2.321 9.523 -21.206
15 HZ PHE 2 HZ PHE 2 2.124 11.919 -21.675
16 HA PRO 3 HA PRO 3 -3.780 7.025 -15.604
17 2HB PRO 3 2HB PRO 3 -4.540 5.872 -17.446
18 2HG PRO 3 2HG PRO 3 -3.357 6.267 -19.386
19 2HD PRO 3 2HD PRO 3 -2.476 8.338 -18.912
20 H ALA 4 H ALA 4 -0.662 5.794 -16.739
21 HA ALA 4 HA ALA 4 0.081 3.968 -15.127
22 1HB ALA 4 1HB ALA 4 1.581 6.597 -15.454
23 2HB ALA 4 2HB ALA 4 2.311 5.099 -14.828
24 3HB ALA 4 3HB ALA 4 1.690 5.157 -16.495
25 H MET 5 H MET 5 1.020 7.108 -13.664
26 HA MET 5 HA MET 5 0.073 6.030 -11.141
27 2HB MET 5 2HB MET 5 1.576 7.911 -10.215
28 2HG MET 5 2HG MET 5 2.319 5.443 -10.820
29 1HE MET 5 1HE MET 5 2.509 3.992 -12.650
30 2HE MET 5 2HE MET 5 3.804 4.068 -13.869
31 3HE MET 5 3HE MET 5 4.215 3.982 -12.139
32 HA PRO 6 HA PRO 6 -3.008 9.075 -10.877
33 2HB PRO 6 2HB PRO 6 -4.090 7.947 -9.187
34 2HG PRO 6 2HG PRO 6 -2.755 6.492 -7.994
35 2HD PRO 6 2HD PRO 6 -1.117 6.070 -9.550
36 H LEU 7 H LEU 7 -3.573 10.994 -8.943
37 HA LEU 7 HA LEU 7 -1.196 12.518 -8.533
38 2HB LEU 7 2HB LEU 7 -3.099 13.252 -10.744
39 HG LEU 7 HG LEU 7 -2.032 15.134 -8.914
40 1HD1 LEU 7 1HD1 LEU 7 -0.263 14.683 -11.226
41 2HD1 LEU 7 2HD1 LEU 7 -0.762 16.374 -10.985
42 3HD1 LEU 7 3HD1 LEU 7 0.049 15.491 -9.670
43 1HD2 LEU 7 1HD2 LEU 7 -4.037 15.052 -10.694
44 2HD2 LEU 7 2HD2 LEU 7 -3.407 16.566 -10.001
45 3HD2 LEU 7 3HD2 LEU 7 -2.875 16.037 -11.614
46 H SER 8 H SER 8 -2.572 11.647 -6.523
47 HA SER 8 HA SER 8 -3.772 13.983 -5.489
48 2HB SER 8 2HB SER 8 -5.999 13.456 -5.463
49 HG SER 8 HG SER 8 -5.799 13.181 -7.663
50 H SER 9 H SER 9 -1.520 12.907 -4.573
51 HA SER 9 HA SER 9 -2.329 11.153 -2.390
52 2HB SER 9 2HB SER 9 -0.675 9.952 -3.520
53 HG SER 9 HG SER 9 0.406 12.534 -4.122
54 H LEU 10 H LEU 10 -3.072 13.628 -1.803
55 HA LEU 10 HA LEU 10 -1.961 14.373 0.473
56 2HB LEU 10 2HB LEU 10 -0.525 16.429 -0.621
57 HG LEU 10 HG LEU 10 0.215 13.876 0.689
58 1HD1 LEU 10 1HD1 LEU 10 1.876 14.986 -1.419
59 2HD1 LEU 10 2HD1 LEU 10 2.710 14.998 0.153
60 3HD1 LEU 10 3HD1 LEU 10 2.055 13.475 -0.494
61 1HD2 LEU 10 1HD2 LEU 10 -0.231 15.910 1.967
62 2HD2 LEU 10 2HD2 LEU 10 1.457 15.381 2.166
63 3HD2 LEU 10 3HD2 LEU 10 1.076 16.754 1.100
64 H PHE 11 H PHE 11 -4.425 14.380 -0.925
65 HA PHE 11 HA PHE 11 -5.329 16.959 -0.236
66 2HB PHE 11 2HB PHE 11 -5.541 16.187 -3.194
67 HD1 PHE 11 HD1 PHE 11 -4.555 19.354 -1.544
68 HD2 PHE 11 HD2 PHE 11 -7.582 17.265 -3.660
69 HE1 PHE 11 HE1 PHE 11 -5.849 21.490 -1.801
70 HE2 PHE 11 HE2 PHE 11 -8.877 19.400 -3.917
71 HZ PHE 11 HZ PHE 11 -7.995 21.488 -2.983
72 H VAL 12 H VAL 12 -5.778 13.947 0.071
73 HA VAL 12 HA VAL 12 -8.312 13.490 -1.187
74 HB VAL 12 HB VAL 12 -6.461 12.024 0.644
75 1HG1 VAL 12 1HG1 VAL 12 -9.413 11.465 0.324
76 2HG1 VAL 12 2HG1 VAL 12 -8.250 10.166 0.683
77 3HG1 VAL 12 3HG1 VAL 12 -8.438 11.529 1.812
78 1HG2 VAL 12 1HG2 VAL 12 -6.606 12.042 -2.006
79 2HG2 VAL 12 2HG2 VAL 12 -6.220 10.556 -1.106
80 3HG2 VAL 12 3HG2 VAL 12 -7.872 10.827 -1.711
81 H ASN 13 H ASN 13 -7.166 13.901 2.242
82 HA ASN 13 HA ASN 13 -9.914 14.523 2.921
83 2HB ASN 13 2HB ASN 13 -7.826 14.456 5.065
84 1HD2 ASN 13 2HD2 ASN 13 -8.809 14.209 6.933
85 2HD2 ASN 13 1HD2 ASN 13 -10.441 13.692 7.189
86 H GLY 14 H GLY 14 -7.315 16.130 1.724
87 1HA GLY 14 1HA GLY 14 -7.733 18.610 1.816
88 2HA GLY 14 2HA GLY 14 -7.547 18.443 3.550
89 HA PRO 15 HA PRO 15 -3.375 19.261 2.183
90 2HB PRO 15 2HB PRO 15 -3.334 21.457 2.876
91 2HG PRO 15 2HG PRO 15 -5.112 22.081 4.206
92 2HD PRO 15 2HD PRO 15 -6.676 20.528 3.551
93 H ARG 16 H ARG 16 -1.178 19.263 3.681
94 HA ARG 16 HA ARG 16 -0.618 16.736 4.081
95 2HB ARG 16 2HB ARG 16 0.658 17.961 6.296
96 2HG ARG 16 2HG ARG 16 1.461 17.941 3.347
97 2HD ARG 16 2HD ARG 16 3.799 17.972 4.303
98 HE ARG 16 HE ARG 16 3.242 20.191 3.685
99 1HH1 ARG 16 1HH1 ARG 16 1.867 19.394 6.825
100 2HH1 ARG 16 2HH1 ARG 16 1.455 21.033 7.202
101 1HH2 ARG 16 1HH2 ARG 16 2.698 22.353 4.184
102 2HH2 ARG 16 2HH2 ARG 16 1.930 22.728 5.690
103 H THR 17 H THR 17 -2.707 18.722 6.126
104 HA THR 17 HA THR 17 -2.632 16.950 8.384
105 HB THR 17 HB THR 17 -3.150 19.554 8.176
106 HG1 THR 17 HG1 THR 17 -4.619 17.510 9.681
107 1HG2 THR 17 1HG2 THR 17 -5.202 19.043 6.644
108 2HG2 THR 17 2HG2 THR 17 -5.970 18.392 8.111
109 3HG2 THR 17 3HG2 THR 17 -5.487 20.103 8.045
110 H LEU 18 H LEU 18 -3.535 16.204 5.407
111 HA LEU 18 HA LEU 18 -6.180 15.203 5.995
112 2HB LEU 18 2HB LEU 18 -5.345 16.197 3.784
113 HG LEU 18 HG LEU 18 -4.600 13.344 3.157
114 1HD1 LEU 18 1HD1 LEU 18 -5.432 15.219 1.481
115 2HD1 LEU 18 2HD1 LEU 18 -3.726 15.720 1.572
116 3HD1 LEU 18 3HD1 LEU 18 -4.142 14.073 1.042
117 1HD2 LEU 18 1HD2 LEU 18 -2.929 14.116 4.750
118 2HD2 LEU 18 2HD2 LEU 18 -2.236 14.011 3.114
119 3HD2 LEU 18 3HD2 LEU 18 -2.674 15.596 3.796
120 H CYS 19 H CYS 19 -6.203 12.721 4.742
121 HA CYS 19 HA CYS 19 -4.557 11.207 6.622
122 2HB CYS 19 2HB CYS 19 -6.622 9.703 5.224
123 H GLY 20 H GLY 20 -3.617 12.435 4.051
124 1HA GLY 20 1HA GLY 20 -2.893 9.935 2.647
125 2HA GLY 20 2HA GLY 20 -3.341 11.394 1.784
126 H ALA 21 H ALA 21 -1.866 12.511 4.565
127 HA ALA 21 HA ALA 21 0.679 12.783 3.148
128 1HB ALA 21 1HB ALA 21 -0.963 14.453 4.971
129 2HB ALA 21 2HB ALA 21 0.790 14.503 5.273
130 3HB ALA 21 3HB ALA 21 0.152 14.935 3.669
131 H GLU 22 H GLU 22 -0.907 11.176 5.800
132 HA GLU 22 HA GLU 22 1.523 10.860 7.281
133 2HB GLU 22 2HB GLU 22 -1.249 9.641 7.653
134 2HG GLU 22 2HG GLU 22 1.112 8.687 8.740
135 H LEU 23 H LEU 23 -0.877 8.362 6.190
136 HA LEU 23 HA LEU 23 0.766 6.226 6.207
137 2HB LEU 23 2HB LEU 23 -0.778 5.691 4.028
138 HG LEU 23 HG LEU 23 -2.675 5.260 5.834
139 1HD1 LEU 23 1HD1 LEU 23 -0.276 3.799 4.996
140 2HD1 LEU 23 2HD1 LEU 23 -0.944 3.249 6.551
141 3HD1 LEU 23 3HD1 LEU 23 -1.972 3.271 5.098
142 1HD2 LEU 23 1HD2 LEU 23 -0.753 6.550 7.416
143 2HD2 LEU 23 2HD2 LEU 23 -2.202 5.672 7.963
144 3HD2 LEU 23 3HD2 LEU 23 -0.640 4.826 7.843
145 H VAL 24 H VAL 24 0.816 8.955 3.976
146 HA VAL 24 HA VAL 24 2.337 7.619 1.973
147 HB VAL 24 HB VAL 24 0.946 9.456 1.375
148 1HG1 VAL 24 1HG1 VAL 24 2.490 11.018 3.462
149 2HG1 VAL 24 2HG1 VAL 24 1.489 11.793 2.210
150 3HG1 VAL 24 3HG1 VAL 24 0.740 10.695 3.394
151 1HG2 VAL 24 1HG2 VAL 24 3.405 9.170 0.432
152 2HG2 VAL 24 2HG2 VAL 24 2.381 10.542 -0.058
153 3HG2 VAL 24 3HG2 VAL 24 3.635 10.766 1.186
154 H ASP 25 H ASP 25 3.043 9.787 4.773
155 HA ASP 25 HA ASP 25 5.770 9.952 4.209
156 2HB ASP 25 2HB ASP 25 5.462 10.233 7.004
157 H ALA 26 H ALA 26 3.668 7.570 5.755
158 HA ALA 26 HA ALA 26 5.531 6.310 7.418
159 1HB ALA 26 1HB ALA 26 2.918 5.574 6.106
160 2HB ALA 26 2HB ALA 26 3.864 4.322 6.947
161 3HB ALA 26 3HB ALA 26 3.304 5.761 7.834
162 H LEU 27 H LEU 27 4.382 5.430 4.078
163 HA LEU 27 HA LEU 27 6.307 3.407 3.770
164 2HB LEU 27 2HB LEU 27 5.557 3.284 1.525
165 HG LEU 27 HG LEU 27 3.629 3.416 3.621
166 1HD1 LEU 27 1HD1 LEU 27 2.960 5.480 2.137
167 2HD1 LEU 27 2HD1 LEU 27 2.283 4.225 1.071
168 3HD1 LEU 27 3HD1 LEU 27 1.724 4.360 2.757
169 1HD2 LEU 27 1HD2 LEU 27 4.429 1.587 1.853
170 2HD2 LEU 27 2HD2 LEU 27 2.846 1.508 2.665
171 3HD2 LEU 27 3HD2 LEU 27 2.966 2.148 1.008
172 H GLN 28 H GLN 28 6.372 6.915 3.418
173 HA GLN 28 HA GLN 28 8.693 6.889 1.783
174 2HB GLN 28 2HB GLN 28 8.033 9.348 3.337
175 2HG GLN 28 2HG GLN 28 7.803 9.405 0.410
176 1HE2 GLN 28 2HE2 GLN 28 9.829 9.970 3.273
177 2HE2 GLN 28 1HE2 GLN 28 10.152 11.648 2.993
178 H PHE 29 H PHE 29 8.081 6.274 5.080
179 HA PHE 29 HA PHE 29 10.670 7.317 5.924
180 2HB PHE 29 2HB PHE 29 8.022 6.834 7.051
181 HD1 PHE 29 HD1 PHE 29 11.228 6.118 8.821
182 HD2 PHE 29 HD2 PHE 29 7.242 4.893 8.035
183 HE1 PHE 29 HE1 PHE 29 11.473 4.254 10.485
184 HE2 PHE 29 HE2 PHE 29 7.487 3.030 9.698
185 HZ PHE 29 HZ PHE 29 9.599 2.732 10.903
186 H VAL 30 H VAL 30 8.761 4.257 5.683
187 HA VAL 30 HA VAL 30 11.185 2.780 6.385
188 HB VAL 30 HB VAL 30 8.306 2.411 6.716
189 1HG1 VAL 30 1HG1 VAL 30 9.965 0.049 5.768
190 2HG1 VAL 30 2HG1 VAL 30 8.332 -0.048 6.471
191 3HG1 VAL 30 3HG1 VAL 30 8.585 0.785 4.918
192 1HG2 VAL 30 1HG2 VAL 30 10.438 2.437 8.357
193 2HG2 VAL 30 2HG2 VAL 30 8.923 1.586 8.746
194 3HG2 VAL 30 3HG2 VAL 30 10.308 0.683 8.084
195 H CYS 31 H CYS 31 8.701 3.237 3.819
196 HA CYS 31 HA CYS 31 9.743 1.251 2.131
197 2HB CYS 31 2HB CYS 31 8.426 3.461 0.756
198 H GLY 32 H GLY 32 10.564 4.616 2.886
199 1HA GLY 32 1HA GLY 32 12.919 5.144 2.388
200 2HA GLY 32 2HA GLY 32 12.626 4.559 0.762
201 H ASP 33 H ASP 33 13.037 7.341 2.445
202 HA ASP 33 HA ASP 33 11.198 9.098 2.245
203 2HB ASP 33 2HB ASP 33 12.811 10.778 1.606
204 H ARG 34 H ARG 34 12.535 7.320 -0.532
205 HA ARG 34 HA ARG 34 11.842 8.857 -2.618
206 2HB ARG 34 2HB ARG 34 11.403 6.588 -3.818
207 2HG ARG 34 2HG ARG 34 13.837 5.775 -3.177
208 2HD ARG 34 2HD ARG 34 12.875 7.576 -5.032
209 HE ARG 34 HE ARG 34 13.510 9.690 -4.283
210 1HH1 ARG 34 1HH1 ARG 34 15.945 7.362 -3.264
211 2HH1 ARG 34 2HH1 ARG 34 17.000 8.564 -2.599
212 1HH2 ARG 34 1HH2 ARG 34 14.902 11.276 -3.406
213 2HH2 ARG 34 2HH2 ARG 34 16.403 10.805 -2.680
214 H GLY 35 H GLY 35 9.736 7.363 -0.277
215 1HA GLY 35 1HA GLY 35 7.504 7.485 0.003
216 2HA GLY 35 2HA GLY 35 7.418 8.588 -1.357
217 H PHE 36 H PHE 36 5.918 5.973 -0.407
218 HA PHE 36 HA PHE 36 6.213 4.500 -2.922
219 2HB PHE 36 2HB PHE 36 5.198 3.908 -0.093
220 HD1 PHE 36 HD1 PHE 36 2.857 3.376 -0.718
221 HD2 PHE 36 HD2 PHE 36 6.139 1.275 -2.397
222 HE1 PHE 36 HE1 PHE 36 1.307 1.546 -1.459
223 HE2 PHE 36 HE2 PHE 36 4.589 -0.555 -3.138
224 HZ PHE 36 HZ PHE 36 2.191 -0.397 -2.660
225 H TYR 37 H TYR 37 4.618 4.632 -4.431
226 HA TYR 37 HA TYR 37 2.490 6.369 -4.186
227 2HB TYR 37 2HB TYR 37 3.726 4.730 -6.087
228 HD1 TYR 37 HD1 TYR 37 3.588 2.305 -5.570
229 HD2 TYR 37 HD2 TYR 37 0.115 4.575 -6.614
230 HE1 TYR 37 HE1 TYR 37 2.314 0.155 -6.038
231 HE2 TYR 37 HE2 TYR 37 -1.147 2.417 -7.078
232 HH TYR 37 HH TYR 37 -0.886 0.231 -7.467
233 H PHE 38 H PHE 38 0.754 6.289 -2.853
234 HA PHE 38 HA PHE 38 0.006 4.183 -1.319
235 2HB PHE 38 2HB PHE 38 -2.380 5.478 -1.793
236 HD1 PHE 38 HD1 PHE 38 -0.057 4.727 0.291
237 HD2 PHE 38 HD2 PHE 38 -1.995 8.311 -0.898
238 HE1 PHE 38 HE1 PHE 38 0.439 5.738 2.534
239 HE2 PHE 38 HE2 PHE 38 -1.498 9.322 1.345
240 HZ PHE 38 HZ PHE 38 -0.287 8.025 3.034
241 H ASN 39 H ASN 39 -2.616 5.114 -3.484
242 HA ASN 39 HA ASN 39 -2.782 2.321 -4.267
243 2HB ASN 39 2HB ASN 39 -5.146 3.802 -5.012
244 1HD2 ASN 39 2HD2 ASN 39 -4.140 1.192 -4.984
245 2HD2 ASN 39 1HD2 ASN 39 -5.095 0.209 -3.925
246 H LYS 40 H LYS 40 -4.456 2.531 -6.522
247 HA LYS 40 HA LYS 40 -2.705 3.950 -8.387
248 2HB LYS 40 2HB LYS 40 -3.215 1.395 -8.481
249 2HG LYS 40 2HG LYS 40 -5.844 2.355 -8.682
250 2HD LYS 40 2HD LYS 40 -5.468 3.091 -11.008
251 2HE LYS 40 2HE LYS 40 -5.084 0.452 -12.203
252 1HZ LYS 40 1HZ LYS 40 -4.499 3.033 -12.735
253 2HZ LYS 40 2HZ LYS 40 -3.026 2.373 -12.494
254 3HZ LYS 40 3HZ LYS 40 -4.025 1.747 -13.623
255 HA PRO 41 HA PRO 41 -5.860 6.667 -9.525
256 2HB PRO 41 2HB PRO 41 -4.546 7.740 -11.081
257 2HG PRO 41 2HG PRO 41 -2.850 6.448 -11.964
258 2HD PRO 41 2HD PRO 41 -2.583 4.914 -10.272
259 H THR 42 H THR 42 -7.698 5.571 -8.805
260 HA THR 42 HA THR 42 -8.959 3.530 -10.003
261 HB THR 42 HB THR 42 -10.123 4.220 -8.130
262 HG1 THR 42 HG1 THR 42 -11.878 4.442 -9.518
263 1HG2 THR 42 1HG2 THR 42 -9.268 7.002 -9.006
264 2HG2 THR 42 2HG2 THR 42 -10.606 6.812 -7.847
265 3HG2 THR 42 3HG2 THR 42 -8.986 6.190 -7.446
266 H GLY 43 H GLY 43 -11.032 3.511 -11.341
267 1HA GLY 43 1HA GLY 43 -10.627 3.973 -13.922
268 2HA GLY 43 2HA GLY 43 -12.211 4.127 -13.191
269 H TYR 44 H TYR 44 -13.078 6.223 -12.681
270 HA TYR 44 HA TYR 44 -11.438 8.523 -13.365
271 2HB TYR 44 2HB TYR 44 -14.232 8.145 -14.543
272 HD1 TYR 44 HD1 TYR 44 -10.807 8.976 -15.840
273 HD2 TYR 44 HD2 TYR 44 -14.836 10.282 -15.230
274 HE1 TYR 44 HE1 TYR 44 -10.304 11.134 -17.086
275 HE2 TYR 44 HE2 TYR 44 -14.320 12.435 -16.478
276 HH TYR 44 HH TYR 44 -12.657 13.128 -18.258
277 H GLY 45 H GLY 45 -13.388 10.489 -13.364
278 1HA GLY 45 1HA GLY 45 -13.807 11.168 -10.815
279 2HA GLY 45 2HA GLY 45 -14.927 11.579 -12.099
280 H SER 46 H SER 46 -16.773 10.123 -12.548
281 HA SER 46 HA SER 46 -17.664 8.948 -10.081
282 2HB SER 46 2HB SER 46 -19.169 9.227 -12.717
283 HG SER 46 HG SER 46 -20.718 9.539 -10.531
284 H SER 47 H SER 47 -15.927 7.189 -10.354
285 HA SER 47 HA SER 47 -17.201 4.898 -11.395
286 2HB SER 47 2HB SER 47 -14.876 4.468 -12.765
287 HG SER 47 HG SER 47 -17.420 5.507 -13.522
288 H SER 48 H SER 48 -16.811 3.485 -9.733
289 HA SER 48 HA SER 48 -14.092 3.453 -8.691
290 2HB SER 48 2HB SER 48 -15.294 2.823 -6.434
291 HG SER 48 HG SER 48 -15.026 5.419 -7.614
292 H ARG 49 H ARG 49 -13.231 1.376 -8.404
293 HA ARG 49 HA ARG 49 -15.001 -0.843 -8.258
294 2HB ARG 49 2HB ARG 49 -13.716 -1.949 -10.280
295 2HG ARG 49 2HG ARG 49 -16.195 -0.754 -10.068
296 2HD ARG 49 2HD ARG 49 -15.802 1.354 -11.029
297 HE ARG 49 HE ARG 49 -13.692 1.601 -11.986
298 1HH1 ARG 49 1HH1 ARG 49 -15.199 -1.277 -13.338
299 2HH1 ARG 49 2HH1 ARG 49 -13.905 -1.591 -14.445
300 1HH2 ARG 49 1HH2 ARG 49 -11.985 1.188 -13.447
301 2HH2 ARG 49 2HH2 ARG 49 -12.064 -0.179 -14.508
302 H ARG 50 H ARG 50 -13.685 -2.950 -7.988
303 HA ARG 50 HA ARG 50 -11.987 -2.864 -6.017
304 2HB ARG 50 2HB ARG 50 -11.032 -5.034 -6.814
305 2HG ARG 50 2HG ARG 50 -13.751 -4.459 -6.405
306 2HD ARG 50 2HD ARG 50 -13.995 -4.683 -8.951
307 HE ARG 50 HE ARG 50 -12.489 -7.046 -8.559
308 1HH1 ARG 50 1HH1 ARG 50 -15.498 -6.105 -10.121
309 2HH1 ARG 50 2HH1 ARG 50 -15.418 -7.356 -11.317
310 1HH2 ARG 50 1HH2 ARG 50 -12.382 -8.696 -10.137
311 2HH2 ARG 50 2HH2 ARG 50 -13.633 -8.839 -11.326
312 H ALA 51 H ALA 51 -10.399 -1.245 -5.856
313 HA ALA 51 HA ALA 51 -8.104 -1.589 -7.603
314 1HB ALA 51 1HB ALA 51 -9.469 0.118 -8.736
315 2HB ALA 51 2HB ALA 51 -9.553 1.065 -7.232
316 3HB ALA 51 3HB ALA 51 -7.992 0.844 -8.057
317 H CYS 52 H CYS 52 -9.502 0.558 -5.015
318 HA CYS 52 HA CYS 52 -6.936 0.574 -3.710
319 2HB CYS 52 2HB CYS 52 -8.093 2.670 -3.752
320 HG CYS 52 HG CYS 52 -10.494 0.649 -3.146
321 H GLN 53 H GLN 53 -7.141 -1.921 -3.521
322 HA GLN 53 HA GLN 53 -9.083 -3.079 -1.965
323 2HB GLN 53 2HB GLN 53 -6.212 -3.830 -2.597
324 2HG GLN 53 2HG GLN 53 -7.973 -4.959 -0.520
325 1HE2 GLN 53 2HE2 GLN 53 -5.715 -7.190 -1.412
326 2HE2 GLN 53 1HE2 GLN 53 -6.706 -8.368 -2.208
327 H THR 54 H THR 54 -5.642 -2.582 -0.891
328 HA THR 54 HA THR 54 -6.660 -2.287 1.841
329 HB THR 54 HB THR 54 -3.753 -2.434 1.519
330 HG1 THR 54 HG1 THR 54 -4.053 -4.708 0.569
331 1HG2 THR 54 1HG2 THR 54 -5.435 -3.289 3.427
332 2HG2 THR 54 2HG2 THR 54 -5.492 -4.747 2.409
333 3HG2 THR 54 3HG2 THR 54 -3.940 -4.191 3.078
334 H GLY 55 H GLY 55 -6.834 -0.177 -0.318
335 1HA GLY 55 1HA GLY 55 -5.342 1.856 -0.553
336 2HA GLY 55 2HA GLY 55 -6.900 2.114 0.205
337 H ILE 56 H ILE 56 -3.402 1.898 0.698
338 HA ILE 56 HA ILE 56 -3.344 1.892 3.476
339 HB ILE 56 HB ILE 56 -1.533 2.047 1.330
340 2HG1 ILE 56 2HG1 ILE 56 -1.008 1.854 4.311
341 1HG2 ILE 56 1HG2 ILE 56 -1.600 4.544 1.829
342 2HG2 ILE 56 2HG2 ILE 56 -0.813 4.148 3.375
343 3HG2 ILE 56 3HG2 ILE 56 -0.003 3.760 1.839
344 1HD1 ILE 56 1HD1 ILE 56 -2.252 0.035 2.342
345 2HD1 ILE 56 2HD1 ILE 56 -0.842 -0.677 3.163
346 3HD1 ILE 56 3HD1 ILE 56 -2.215 -0.069 4.119
347 H VAL 57 H VAL 57 -4.776 4.139 1.404
348 HA VAL 57 HA VAL 57 -4.386 6.287 3.370
349 HB VAL 57 HB VAL 57 -5.548 7.212 0.934
350 1HG1 VAL 57 1HG1 VAL 57 -2.915 7.652 2.362
351 2HG1 VAL 57 2HG1 VAL 57 -3.354 8.519 0.871
352 3HG1 VAL 57 3HG1 VAL 57 -4.352 8.702 2.333
353 1HG2 VAL 57 1HG2 VAL 57 -3.059 5.515 0.574
354 2HG2 VAL 57 2HG2 VAL 57 -4.633 5.323 -0.234
355 3HG2 VAL 57 3HG2 VAL 57 -3.614 6.736 -0.597
356 H ASP 58 H ASP 58 -6.744 4.569 1.238
357 HA ASP 58 HA ASP 58 -8.892 5.849 2.655
358 2HB ASP 58 2HB ASP 58 -9.047 3.669 0.527
359 H GLU 59 H GLU 59 -7.140 2.755 2.376
360 HA GLU 59 HA GLU 59 -9.124 1.352 3.899
361 2HB GLU 59 2HB GLU 59 -6.386 0.238 3.277
362 2HG GLU 59 2HG GLU 59 -8.509 -1.492 2.531
363 H CYS 60 H CYS 60 -6.239 3.244 4.430
364 HA CYS 60 HA CYS 60 -5.642 2.008 6.952
365 2HB CYS 60 2HB CYS 60 -4.527 4.616 5.938
366 H CYS 61 H CYS 61 -6.761 5.261 5.751
367 HA CYS 61 HA CYS 61 -7.273 6.379 8.197
368 2HB CYS 61 2HB CYS 61 -9.180 7.025 6.023
369 H PHE 62 H PHE 62 -9.260 4.206 6.118
370 HA PHE 62 HA PHE 62 -11.520 4.356 7.863
371 2HB PHE 62 2HB PHE 62 -10.672 2.439 5.608
372 HD1 PHE 62 HD1 PHE 62 -13.597 3.851 7.445
373 HD2 PHE 62 HD2 PHE 62 -12.086 0.702 5.036
374 HE1 PHE 62 HE1 PHE 62 -15.757 2.604 7.722
375 HE2 PHE 62 HE2 PHE 62 -14.246 -0.546 5.313
376 HZ PHE 62 HZ PHE 62 -16.056 0.420 6.654
377 H ARG 63 H ARG 63 -8.827 2.041 7.218
378 HA ARG 63 HA ARG 63 -9.801 0.525 9.502
379 2HB ARG 63 2HB ARG 63 -7.685 -0.669 7.755
380 2HG ARG 63 2HG ARG 63 -10.390 -1.678 8.759
381 2HD ARG 63 2HD ARG 63 -7.984 -3.093 7.513
382 HE ARG 63 HE ARG 63 -8.732 -4.769 8.987
383 1HH1 ARG 63 1HH1 ARG 63 -11.489 -3.217 7.446
384 2HH1 ARG 63 2HH1 ARG 63 -12.631 -4.383 8.025
385 1HH2 ARG 63 1HH2 ARG 63 -10.239 -6.307 9.751
386 2HH2 ARG 63 2HH2 ARG 63 -11.915 -6.152 9.346
387 H SER 64 H SER 64 -8.745 1.602 11.221
388 HA SER 64 HA SER 64 -6.510 2.897 11.370
389 2HB SER 64 2HB SER 64 -6.158 1.376 13.631
390 HG SER 64 HG SER 64 -7.709 3.598 12.923
391 H CYS 65 H CYS 65 -4.745 2.449 10.028
392 HA CYS 65 HA CYS 65 -3.413 -0.102 10.570
393 2HB CYS 65 2HB CYS 65 -4.581 0.261 8.246
394 H ASP 66 H ASP 66 -1.819 0.643 11.987
395 HA ASP 66 HA ASP 66 -0.753 3.141 12.001
396 2HB ASP 66 2HB ASP 66 1.109 2.150 13.299
397 H LEU 67 H LEU 67 2.117 1.485 11.869
398 HA LEU 67 HA LEU 67 2.651 2.417 9.168
399 2HB LEU 67 2HB LEU 67 5.027 1.982 9.844
400 HG LEU 67 HG LEU 67 4.072 3.701 12.051
401 1HD1 LEU 67 1HD1 LEU 67 6.431 3.547 11.286
402 2HD1 LEU 67 2HD1 LEU 67 5.938 4.255 9.730
403 3HD1 LEU 67 3HD1 LEU 67 5.768 5.198 11.230
404 1HD2 LEU 67 1HD2 LEU 67 3.328 4.292 9.179
405 2HD2 LEU 67 2HD2 LEU 67 2.253 4.183 10.594
406 3HD2 LEU 67 3HD2 LEU 67 3.410 5.529 10.458
407 H ARG 68 H ARG 68 2.269 -0.531 11.093
408 HA ARG 68 HA ARG 68 3.622 -2.373 9.800
409 2HB ARG 68 2HB ARG 68 0.748 -3.129 10.070
410 2HG ARG 68 2HG ARG 68 2.493 -4.299 12.039
411 2HD ARG 68 2HD ARG 68 0.972 -5.148 9.589
412 HE ARG 68 HE ARG 68 3.451 -6.443 10.321
413 1HH1 ARG 68 1HH1 ARG 68 0.135 -7.133 9.372
414 2HH1 ARG 68 2HH1 ARG 68 0.514 -8.683 8.698
415 1HH2 ARG 68 1HH2 ARG 68 3.954 -8.487 9.432
416 2HH2 ARG 68 2HH2 ARG 68 2.702 -9.458 8.732
417 H ARG 69 H ARG 69 0.565 -0.835 8.635
418 HA ARG 69 HA ARG 69 0.308 -2.454 6.393
419 2HB ARG 69 2HB ARG 69 -0.864 0.029 5.734
420 2HG ARG 69 2HG ARG 69 -2.964 -1.024 6.472
421 2HD ARG 69 2HD ARG 69 -1.111 -3.237 5.481
422 HE ARG 69 HE ARG 69 -3.872 -2.860 4.504
423 1HH1 ARG 69 1HH1 ARG 69 -1.752 -4.537 6.759
424 2HH1 ARG 69 2HH1 ARG 69 -2.862 -5.839 7.031
425 1HH2 ARG 69 1HH2 ARG 69 -5.335 -4.578 4.864
426 2HH2 ARG 69 2HH2 ARG 69 -4.913 -5.862 5.946
427 H LEU 70 H LEU 70 1.875 0.749 6.980
428 HA LEU 70 HA LEU 70 2.438 1.534 4.447
429 2HB LEU 70 2HB LEU 70 3.027 2.436 6.889
430 HG LEU 70 HG LEU 70 5.033 0.862 7.061
431 1HD1 LEU 70 1HD1 LEU 70 5.590 1.780 4.516
432 2HD1 LEU 70 2HD1 LEU 70 6.748 2.669 5.535
433 3HD1 LEU 70 3HD1 LEU 70 6.702 0.890 5.583
434 1HD2 LEU 70 1HD2 LEU 70 4.592 3.080 8.307
435 2HD2 LEU 70 2HD2 LEU 70 6.235 2.398 8.328
436 3HD2 LEU 70 3HD2 LEU 70 5.848 3.754 7.241
437 H GLU 71 H GLU 71 4.041 -1.027 6.383
438 HA GLU 71 HA GLU 71 6.011 -1.421 4.364
439 2HB GLU 71 2HB GLU 71 5.826 -3.657 6.183
440 2HG GLU 71 2HG GLU 71 7.881 -1.941 7.044
441 H MET 72 H MET 72 2.814 -2.683 5.211
442 HA MET 72 HA MET 72 2.961 -5.115 3.923
443 2HB MET 72 2HB MET 72 0.321 -4.326 3.587
444 2HG MET 72 2HG MET 72 0.194 -4.947 6.199
445 1HE MET 72 1HE MET 72 1.632 -7.429 6.611
446 2HE MET 72 2HE MET 72 0.461 -8.677 6.125
447 3HE MET 72 3HE MET 72 1.978 -8.477 5.215
448 H TYR 73 H TYR 73 1.978 -1.851 2.698
449 HA TYR 73 HA TYR 73 1.554 -2.902 0.047
450 2HB TYR 73 2HB TYR 73 1.657 -0.076 0.026
451 HD1 TYR 73 HD1 TYR 73 -0.248 -3.120 0.553
452 HD2 TYR 73 HD2 TYR 73 -0.568 1.091 -0.137
453 HE1 TYR 73 HE1 TYR 73 -2.672 -3.413 -0.156
454 HE2 TYR 73 HE2 TYR 73 -2.990 0.783 -0.844
455 HH TYR 73 HH TYR 73 -4.384 -0.998 -1.760
456 H CYS 74 H CYS 74 4.220 -1.716 1.934
457 HA CYS 74 HA CYS 74 5.735 -0.288 0.248
458 2HB CYS 74 2HB CYS 74 7.483 -2.212 1.391
459 H ALA 75 H ALA 75 4.316 -1.742 -1.603
460 HA ALA 75 HA ALA 75 5.282 -4.116 -2.521
461 1HB ALA 75 1HB ALA 75 3.445 -2.272 -3.340
462 2HB ALA 75 2HB ALA 75 4.693 -2.068 -4.593
463 3HB ALA 75 3HB ALA 75 3.958 -3.667 -4.321
464 HA PRO 76 HA PRO 76 9.148 -3.382 -4.338
465 2HB PRO 76 2HB PRO 76 9.258 -5.451 -5.344
466 2HG PRO 76 2HG PRO 76 7.211 -6.383 -5.855
467 2HD PRO 76 2HD PRO 76 5.875 -5.295 -4.333
468 H LEU 77 H LEU 77 10.538 -2.497 -6.207
469 HA LEU 77 HA LEU 77 10.092 0.095 -6.514
470 2HB LEU 77 2HB LEU 77 11.072 -0.594 -9.011
471 HG LEU 77 HG LEU 77 12.191 0.326 -6.496
472 1HD1 LEU 77 1HD1 LEU 77 13.507 -1.973 -7.740
473 2HD1 LEU 77 2HD1 LEU 77 14.567 -0.552 -7.584
474 3HD1 LEU 77 3HD1 LEU 77 13.760 -1.222 -6.146
475 1HD2 LEU 77 1HD2 LEU 77 12.403 0.846 -9.387
476 2HD2 LEU 77 2HD2 LEU 77 12.383 1.972 -8.008
477 3HD2 LEU 77 3HD2 LEU 77 13.894 1.149 -8.463
478 H LYS 78 H LYS 78 8.841 1.528 -7.695
479 HA LYS 78 HA LYS 78 6.715 0.255 -9.269
480 2HB LYS 78 2HB LYS 78 6.281 3.015 -8.346
481 2HG LYS 78 2HG LYS 78 4.360 1.137 -7.371
482 2HD LYS 78 2HD LYS 78 4.506 3.127 -9.654
483 2HE LYS 78 2HE LYS 78 2.538 0.927 -9.292
484 1HZ LYS 78 1HZ LYS 78 1.744 3.559 -8.834
485 2HZ LYS 78 2HZ LYS 78 1.109 3.070 -10.257
486 3HZ LYS 78 3HZ LYS 78 0.818 2.215 -8.897
487 HA PRO 79 HA PRO 79 8.233 2.361 -12.717
488 2HB PRO 79 2HB PRO 79 7.084 0.976 -14.154
489 2HG PRO 79 2HG PRO 79 5.266 -0.089 -13.218
490 2HD PRO 79 2HD PRO 79 5.870 -0.055 -11.000
491 H ALA 80 H ALA 80 8.248 4.189 -10.941
492 HA ALA 80 HA ALA 80 7.336 6.472 -12.387
493 1HB ALA 80 1HB ALA 80 5.460 5.324 -10.674
494 2HB ALA 80 2HB ALA 80 6.193 6.613 -9.689
495 3HB ALA 80 3HB ALA 80 5.455 7.005 -11.261
496 H LYS 81 H LYS 81 7.354 8.156 -9.928
497 HA LYS 81 HA LYS 81 9.596 7.706 -8.374
498 2HB LYS 81 2HB LYS 81 10.983 7.791 -10.315
499 2HG LYS 81 2HG LYS 81 9.114 9.964 -11.103
500 2HD LYS 81 2HD LYS 81 10.998 10.972 -12.570
501 2HE LYS 81 2HE LYS 81 10.993 11.425 -9.549
502 1HZ LYS 81 1HZ LYS 81 12.773 12.375 -11.318
503 2HZ LYS 81 2HZ LYS 81 11.665 13.574 -11.280
504 3HZ LYS 81 3HZ LYS 81 12.389 13.087 -9.899
505 H SER 82 H SER 82 6.887 8.625 -8.163
506 HA SER 82 HA SER 82 6.148 11.061 -8.197
507 2HB SER 82 2HB SER 82 6.230 9.324 -5.700
508 HG SER 82 HG SER 82 5.609 11.154 -4.719
509 H ALA 83 H ALA 83 6.679 13.145 -7.480
510 HA ALA 83 HA ALA 83 9.307 13.694 -6.814
511 1HB ALA 83 1HB ALA 83 6.704 15.156 -6.894
512 2HB ALA 83 2HB ALA 83 8.020 15.915 -5.967
513 3HB ALA 83 3HB ALA 83 8.251 15.531 -7.689
Start of MODEL 6
1 H MET 1 H MET 1 0.918 10.874 -7.501
2 HA MET 1 HA MET 1 -1.193 9.621 -6.992
3 2HB MET 1 2HB MET 1 -0.978 10.120 -4.551
4 2HG MET 1 2HG MET 1 1.062 9.203 -6.150
5 1HE MET 1 1HE MET 1 3.259 9.479 -6.947
6 2HE MET 1 2HE MET 1 4.488 10.642 -6.400
7 3HE MET 1 3HE MET 1 3.975 9.319 -5.325
8 H PHE 2 H PHE 2 -3.348 9.818 -6.026
9 HA PHE 2 HA PHE 2 -5.336 10.734 -5.753
10 2HB PHE 2 2HB PHE 2 -5.418 13.059 -4.967
11 HD1 PHE 2 HD1 PHE 2 -5.228 11.466 -2.987
12 HD2 PHE 2 HD2 PHE 2 -1.856 13.305 -4.792
13 HE1 PHE 2 HE1 PHE 2 -3.877 11.019 -0.919
14 HE2 PHE 2 HE2 PHE 2 -0.505 12.859 -2.725
15 HZ PHE 2 HZ PHE 2 -1.532 11.722 -0.812
16 HA PRO 3 HA PRO 3 -6.650 12.110 -9.642
17 2HB PRO 3 2HB PRO 3 -8.833 11.495 -9.236
18 2HG PRO 3 2HG PRO 3 -9.412 11.420 -7.005
19 2HD PRO 3 2HD PRO 3 -7.343 11.095 -6.056
20 H ALA 4 H ALA 4 -7.990 14.731 -7.702
21 HA ALA 4 HA ALA 4 -7.906 16.806 -9.162
22 1HB ALA 4 1HB ALA 4 -6.413 16.569 -6.522
23 2HB ALA 4 2HB ALA 4 -6.823 18.121 -7.290
24 3HB ALA 4 3HB ALA 4 -8.118 17.017 -6.769
25 H MET 5 H MET 5 -4.732 16.657 -7.520
26 HA MET 5 HA MET 5 -3.548 17.298 -10.092
27 2HB MET 5 2HB MET 5 -1.594 17.623 -8.089
28 2HG MET 5 2HG MET 5 -3.646 19.722 -8.941
29 1HE MET 5 1HE MET 5 -1.688 21.327 -10.215
30 2HE MET 5 2HE MET 5 -1.639 22.620 -8.992
31 3HE MET 5 3HE MET 5 -0.152 21.737 -9.415
32 HA PRO 6 HA PRO 6 -1.157 13.673 -10.136
33 2HB PRO 6 2HB PRO 6 -0.081 14.243 -12.089
34 2HG PRO 6 2HG PRO 6 0.064 16.510 -12.483
35 2HD PRO 6 2HD PRO 6 -1.719 17.256 -11.237
36 H LEU 7 H LEU 7 -0.589 15.940 -7.853
37 HA LEU 7 HA LEU 7 0.689 14.004 -6.194
38 2HB LEU 7 2HB LEU 7 2.427 16.225 -5.963
39 HG LEU 7 HG LEU 7 2.803 13.610 -5.719
40 1HD1 LEU 7 1HD1 LEU 7 3.057 14.088 -8.604
41 2HD1 LEU 7 2HD1 LEU 7 4.453 13.254 -7.879
42 3HD1 LEU 7 3HD1 LEU 7 2.818 12.573 -7.701
43 1HD2 LEU 7 1HD2 LEU 7 4.670 15.859 -6.257
44 2HD2 LEU 7 2HD2 LEU 7 4.510 14.807 -4.831
45 3HD2 LEU 7 3HD2 LEU 7 5.349 14.214 -6.284
46 H SER 8 H SER 8 -0.144 14.266 -4.187
47 HA SER 8 HA SER 8 -0.553 16.868 -3.154
48 2HB SER 8 2HB SER 8 -3.096 16.227 -2.693
49 HG SER 8 HG SER 8 -3.654 17.299 -4.762
50 H SER 9 H SER 9 1.135 15.094 -2.118
51 HA SER 9 HA SER 9 -0.171 13.262 -0.379
52 2HB SER 9 2HB SER 9 1.934 12.506 -1.113
53 HG SER 9 HG SER 9 3.835 14.129 -0.480
54 H LEU 10 H LEU 10 -1.470 15.389 0.384
55 HA LEU 10 HA LEU 10 -1.162 15.771 2.988
56 2HB LEU 10 2HB LEU 10 0.987 16.559 3.052
57 HG LEU 10 HG LEU 10 0.748 17.256 0.369
58 1HD1 LEU 10 1HD1 LEU 10 0.047 19.556 1.732
59 2HD1 LEU 10 2HD1 LEU 10 1.782 19.787 1.402
60 3HD1 LEU 10 3HD1 LEU 10 0.655 19.463 0.061
61 1HD2 LEU 10 1HD2 LEU 10 2.823 17.109 2.425
62 2HD2 LEU 10 2HD2 LEU 10 2.843 16.578 0.726
63 3HD2 LEU 10 3HD2 LEU 10 3.198 18.275 1.133
64 H PHE 11 H PHE 11 -3.117 15.701 0.913
65 HA PHE 11 HA PHE 11 -4.828 17.687 1.775
66 2HB PHE 11 2HB PHE 11 -3.949 18.200 -1.094
67 HD1 PHE 11 HD1 PHE 11 -3.807 20.579 1.699
68 HD2 PHE 11 HD2 PHE 11 -6.108 19.151 -1.567
69 HE1 PHE 11 HE1 PHE 11 -5.313 22.579 1.887
70 HE2 PHE 11 HE2 PHE 11 -7.614 21.150 -1.380
71 HZ PHE 11 HZ PHE 11 -7.198 22.840 0.345
72 H VAL 12 H VAL 12 -4.706 14.821 1.158
73 HA VAL 12 HA VAL 12 -5.880 14.162 -1.253
74 HB VAL 12 HB VAL 12 -4.859 12.635 0.417
75 1HG1 VAL 12 1HG1 VAL 12 -7.017 13.669 2.072
76 2HG1 VAL 12 2HG1 VAL 12 -7.036 11.891 2.008
77 3HG1 VAL 12 3HG1 VAL 12 -5.566 12.746 2.534
78 1HG2 VAL 12 1HG2 VAL 12 -7.373 12.181 -1.053
79 2HG2 VAL 12 2HG2 VAL 12 -5.851 11.255 -1.060
80 3HG2 VAL 12 3HG2 VAL 12 -7.049 10.992 0.231
81 H ASN 13 H ASN 13 -8.205 12.826 0.593
82 HA ASN 13 HA ASN 13 -10.301 13.954 -0.516
83 2HB ASN 13 2HB ASN 13 -10.570 13.521 2.457
84 1HD2 ASN 13 2HD2 ASN 13 -11.520 10.797 1.116
85 2HD2 ASN 13 1HD2 ASN 13 -13.142 11.152 0.624
86 H GLY 14 H GLY 14 -8.167 15.400 1.890
87 1HA GLY 14 1HA GLY 14 -9.173 17.999 1.541
88 2HA GLY 14 2HA GLY 14 -9.852 17.338 3.016
89 HA PRO 15 HA PRO 15 -5.859 18.926 4.294
90 2HB PRO 15 2HB PRO 15 -6.634 20.909 5.171
91 2HG PRO 15 2HG PRO 15 -8.929 21.048 5.356
92 2HD PRO 15 2HD PRO 15 -9.561 19.531 3.748
93 H ARG 16 H ARG 16 -4.513 18.617 6.359
94 HA ARG 16 HA ARG 16 -4.115 16.044 6.733
95 2HB ARG 16 2HB ARG 16 -2.871 18.073 7.756
96 2HG ARG 16 2HG ARG 16 -4.332 17.478 10.310
97 2HD ARG 16 2HD ARG 16 -2.344 18.997 10.226
98 HE ARG 16 HE ARG 16 -2.355 20.258 8.233
99 1HH1 ARG 16 1HH1 ARG 16 -5.388 20.710 9.960
100 2HH1 ARG 16 2HH1 ARG 16 -5.911 22.021 8.956
101 1HH2 ARG 16 1HH2 ARG 16 -3.045 21.987 6.908
102 2HH2 ARG 16 2HH2 ARG 16 -4.570 22.752 7.209
103 H THR 17 H THR 17 -6.802 17.938 8.030
104 HA THR 17 HA THR 17 -7.544 16.174 10.114
105 HB THR 17 HB THR 17 -9.005 18.320 8.494
106 HG1 THR 17 HG1 THR 17 -7.725 18.004 11.114
107 1HG2 THR 17 1HG2 THR 17 -9.924 16.503 10.705
108 2HG2 THR 17 2HG2 THR 17 -10.282 18.235 10.903
109 3HG2 THR 17 3HG2 THR 17 -10.885 17.359 9.476
110 H LEU 18 H LEU 18 -8.660 16.525 6.689
111 HA LEU 18 HA LEU 18 -10.630 14.663 6.689
112 2HB LEU 18 2HB LEU 18 -9.170 14.313 4.292
113 HG LEU 18 HG LEU 18 -10.847 15.661 3.232
114 1HD1 LEU 18 1HD1 LEU 18 -11.388 13.388 4.671
115 2HD1 LEU 18 2HD1 LEU 18 -12.656 14.504 5.232
116 3HD1 LEU 18 3HD1 LEU 18 -12.480 14.157 3.494
117 1HD2 LEU 18 1HD2 LEU 18 -10.964 16.983 5.829
118 2HD2 LEU 18 2HD2 LEU 18 -11.435 17.571 4.218
119 3HD2 LEU 18 3HD2 LEU 18 -12.576 16.602 5.180
120 H CYS 19 H CYS 19 -7.609 13.622 5.078
121 HA CYS 19 HA CYS 19 -7.924 11.078 6.469
122 2HB CYS 19 2HB CYS 19 -6.312 11.691 3.984
123 H GLY 20 H GLY 20 -4.892 11.929 4.885
124 1HA GLY 20 1HA GLY 20 -3.526 13.207 6.953
125 2HA GLY 20 2HA GLY 20 -3.360 11.482 7.213
126 H ALA 21 H ALA 21 -1.367 13.620 6.343
127 HA ALA 21 HA ALA 21 -0.730 12.739 3.645
128 1HB ALA 21 1HB ALA 21 -0.620 15.179 4.819
129 2HB ALA 21 2HB ALA 21 1.036 14.613 5.151
130 3HB ALA 21 3HB ALA 21 0.443 14.697 3.475
131 H GLU 22 H GLU 22 -0.315 11.592 6.759
132 HA GLU 22 HA GLU 22 2.440 10.942 6.587
133 2HB GLU 22 2HB GLU 22 0.467 9.545 8.412
134 2HG GLU 22 2HG GLU 22 3.081 9.177 8.296
135 H LEU 23 H LEU 23 -0.678 9.109 6.275
136 HA LEU 23 HA LEU 23 0.072 6.609 5.929
137 2HB LEU 23 2HB LEU 23 -1.664 6.479 4.080
138 HG LEU 23 HG LEU 23 -2.420 7.894 6.650
139 1HD1 LEU 23 1HD1 LEU 23 -4.001 7.953 4.496
140 2HD1 LEU 23 2HD1 LEU 23 -4.438 6.340 5.109
141 3HD1 LEU 23 3HD1 LEU 23 -4.631 7.771 6.152
142 1HD2 LEU 23 1HD2 LEU 23 -2.305 4.989 5.833
143 2HD2 LEU 23 2HD2 LEU 23 -1.509 5.797 7.205
144 3HD2 LEU 23 3HD2 LEU 23 -3.273 5.559 7.213
145 H VAL 24 H VAL 24 0.650 9.239 3.539
146 HA VAL 24 HA VAL 24 1.874 7.441 1.681
147 HB VAL 24 HB VAL 24 0.976 9.174 0.552
148 1HG1 VAL 24 1HG1 VAL 24 1.531 10.808 3.021
149 2HG1 VAL 24 2HG1 VAL 24 1.142 11.608 1.480
150 3HG1 VAL 24 3HG1 VAL 24 -0.017 10.470 2.210
151 1HG2 VAL 24 1HG2 VAL 24 3.714 9.239 0.609
152 2HG2 VAL 24 2HG2 VAL 24 2.693 10.186 -0.500
153 3HG2 VAL 24 3HG2 VAL 24 3.308 10.928 0.998
154 H ASP 25 H ASP 25 3.012 10.011 3.974
155 HA ASP 25 HA ASP 25 5.699 9.609 3.386
156 2HB ASP 25 2HB ASP 25 5.532 10.492 6.073
157 H ALA 26 H ALA 26 3.386 7.649 4.979
158 HA ALA 26 HA ALA 26 5.088 6.562 7.006
159 1HB ALA 26 1HB ALA 26 2.349 6.624 6.438
160 2HB ALA 26 2HB ALA 26 2.806 4.923 6.187
161 3HB ALA 26 3HB ALA 26 3.138 5.712 7.748
162 H LEU 27 H LEU 27 3.610 5.192 3.972
163 HA LEU 27 HA LEU 27 5.024 2.856 3.930
164 2HB LEU 27 2HB LEU 27 4.542 2.790 1.555
165 HG LEU 27 HG LEU 27 2.530 3.269 3.511
166 1HD1 LEU 27 1HD1 LEU 27 2.369 5.398 1.901
167 2HD1 LEU 27 2HD1 LEU 27 1.421 4.247 0.930
168 3HD1 LEU 27 3HD1 LEU 27 0.938 4.608 2.605
169 1HD2 LEU 27 1HD2 LEU 27 3.044 1.259 1.981
170 2HD2 LEU 27 2HD2 LEU 27 1.343 1.633 2.351
171 3HD2 LEU 27 3HD2 LEU 27 2.036 2.101 0.780
172 H GLN 28 H GLN 28 6.013 6.123 2.792
173 HA GLN 28 HA GLN 28 8.497 5.082 1.845
174 2HB GLN 28 2HB GLN 28 8.429 7.985 2.139
175 2HG GLN 28 2HG GLN 28 9.528 7.697 0.180
176 1HE2 GLN 28 2HE2 GLN 28 11.112 6.300 0.632
177 2HE2 GLN 28 1HE2 GLN 28 11.065 4.593 0.344
178 H PHE 29 H PHE 29 7.179 6.029 4.871
179 HA PHE 29 HA PHE 29 9.400 7.271 6.035
180 2HB PHE 29 2HB PHE 29 6.770 6.138 6.706
181 HD1 PHE 29 HD1 PHE 29 9.893 6.331 8.756
182 HD2 PHE 29 HD2 PHE 29 6.072 4.564 8.226
183 HE1 PHE 29 HE1 PHE 29 10.294 4.866 10.753
184 HE2 PHE 29 HE2 PHE 29 6.473 3.097 10.223
185 HZ PHE 29 HZ PHE 29 8.580 3.265 11.462
186 H VAL 30 H VAL 30 8.449 3.835 5.616
187 HA VAL 30 HA VAL 30 10.814 3.033 7.130
188 HB VAL 30 HB VAL 30 8.412 1.527 6.086
189 1HG1 VAL 30 1HG1 VAL 30 11.011 0.569 7.206
190 2HG1 VAL 30 2HG1 VAL 30 9.524 -0.260 7.727
191 3HG1 VAL 30 3HG1 VAL 30 9.937 -0.177 5.998
192 1HG2 VAL 30 1HG2 VAL 30 8.934 2.990 8.508
193 2HG2 VAL 30 2HG2 VAL 30 7.457 2.130 8.008
194 3HG2 VAL 30 3HG2 VAL 30 8.738 1.263 8.891
195 H CYS 31 H CYS 31 9.520 3.405 3.883
196 HA CYS 31 HA CYS 31 11.581 1.680 2.792
197 2HB CYS 31 2HB CYS 31 10.209 2.947 0.700
198 H GLY 32 H GLY 32 10.733 5.061 3.405
199 1HA GLY 32 1HA GLY 32 13.205 6.143 3.210
200 2HA GLY 32 2HA GLY 32 12.654 6.154 1.547
201 H ASP 33 H ASP 33 12.592 7.805 4.549
202 HA ASP 33 HA ASP 33 10.118 8.961 4.564
203 2HB ASP 33 2HB ASP 33 11.307 9.524 6.462
204 H ARG 34 H ARG 34 11.178 8.778 1.798
205 HA ARG 34 HA ARG 34 11.687 11.542 1.139
206 2HB ARG 34 2HB ARG 34 13.138 9.809 0.108
207 2HG ARG 34 2HG ARG 34 10.531 8.815 -1.136
208 2HD ARG 34 2HD ARG 34 12.745 8.848 -2.567
209 HE ARG 34 HE ARG 34 13.486 7.004 -0.388
210 1HH1 ARG 34 1HH1 ARG 34 14.097 8.027 -3.699
211 2HH1 ARG 34 2HH1 ARG 34 15.695 7.361 -3.746
212 1HH2 ARG 34 1HH2 ARG 34 15.593 6.124 -0.449
213 2HH2 ARG 34 2HH2 ARG 34 16.552 6.271 -1.885
214 H GLY 35 H GLY 35 9.063 9.448 1.556
215 1HA GLY 35 1HA GLY 35 6.854 10.106 1.243
216 2HA GLY 35 2HA GLY 35 7.337 11.175 -0.059
217 H PHE 36 H PHE 36 5.650 8.401 0.549
218 HA PHE 36 HA PHE 36 6.443 7.189 -2.005
219 2HB PHE 36 2HB PHE 36 5.253 6.180 0.630
220 HD1 PHE 36 HD1 PHE 36 6.654 4.167 -2.115
221 HD2 PHE 36 HD2 PHE 36 3.146 5.219 0.031
222 HE1 PHE 36 HE1 PHE 36 5.426 2.258 -3.187
223 HE2 PHE 36 HE2 PHE 36 1.918 3.309 -1.041
224 HZ PHE 36 HZ PHE 36 3.073 1.852 -2.637
225 H TYR 37 H TYR 37 4.429 5.823 -2.909
226 HA TYR 37 HA TYR 37 2.312 7.792 -3.210
227 2HB TYR 37 2HB TYR 37 2.657 5.034 -4.510
228 HD1 TYR 37 HD1 TYR 37 0.285 7.232 -4.011
229 HD2 TYR 37 HD2 TYR 37 2.711 6.004 -7.314
230 HE1 TYR 37 HE1 TYR 37 -1.525 7.985 -5.630
231 HE2 TYR 37 HE2 TYR 37 0.894 6.761 -8.922
232 HH TYR 37 HH TYR 37 -0.980 8.479 -8.836
233 H PHE 38 H PHE 38 0.812 5.074 -4.110
234 HA PHE 38 HA PHE 38 0.139 3.945 -1.579
235 2HB PHE 38 2HB PHE 38 -2.375 4.719 -2.109
236 HD1 PHE 38 HD1 PHE 38 -0.232 4.658 0.100
237 HD2 PHE 38 HD2 PHE 38 -2.330 7.832 -1.778
238 HE1 PHE 38 HE1 PHE 38 0.046 6.062 2.162
239 HE2 PHE 38 HE2 PHE 38 -2.052 9.236 0.283
240 HZ PHE 38 HZ PHE 38 -0.867 8.335 2.229
241 H ASN 39 H ASN 39 -2.583 4.163 -3.672
242 HA ASN 39 HA ASN 39 -2.785 1.540 -4.143
243 2HB ASN 39 2HB ASN 39 -4.183 3.811 -4.913
244 1HD2 ASN 39 2HD2 ASN 39 -2.987 5.119 -6.324
245 2HD2 ASN 39 1HD2 ASN 39 -2.931 4.832 -8.031
246 H LYS 40 H LYS 40 -2.479 0.260 -6.240
247 HA LYS 40 HA LYS 40 0.115 0.248 -7.094
248 2HB LYS 40 2HB LYS 40 -1.532 -0.753 -9.201
249 2HG LYS 40 2HG LYS 40 -0.647 -2.567 -7.004
250 2HD LYS 40 2HD LYS 40 0.734 -2.943 -9.494
251 2HE LYS 40 2HE LYS 40 -1.774 -4.475 -8.846
252 1HZ LYS 40 1HZ LYS 40 0.100 -4.998 -10.487
253 2HZ LYS 40 2HZ LYS 40 0.930 -5.507 -9.175
254 3HZ LYS 40 3HZ LYS 40 -0.494 -6.207 -9.564
255 HA PRO 41 HA PRO 41 0.487 3.175 -10.259
256 2HB PRO 41 2HB PRO 41 2.526 2.393 -10.989
257 2HG PRO 41 2HG PRO 41 2.879 0.143 -10.628
258 2HD PRO 41 2HD PRO 41 1.445 -0.218 -8.868
259 H THR 42 H THR 42 -1.938 3.298 -10.199
260 HA THR 42 HA THR 42 -3.635 2.127 -11.878
261 HB THR 42 HB THR 42 -3.325 5.096 -11.205
262 HG1 THR 42 HG1 THR 42 -3.683 3.667 -9.409
263 1HG2 THR 42 1HG2 THR 42 -5.461 3.581 -12.701
264 2HG2 THR 42 2HG2 THR 42 -5.998 4.738 -11.460
265 3HG2 THR 42 3HG2 THR 42 -5.001 5.296 -12.825
266 H GLY 43 H GLY 43 -2.404 5.297 -13.052
267 1HA GLY 43 1HA GLY 43 -2.941 5.097 -15.650
268 2HA GLY 43 2HA GLY 43 -1.464 5.832 -15.055
269 H TYR 44 H TYR 44 -2.929 2.737 -16.171
270 HA TYR 44 HA TYR 44 -0.419 2.049 -17.418
271 2HB TYR 44 2HB TYR 44 -1.796 0.043 -15.570
272 HD1 TYR 44 HD1 TYR 44 1.471 1.418 -16.796
273 HD2 TYR 44 HD2 TYR 44 -0.699 -2.010 -15.436
274 HE1 TYR 44 HE1 TYR 44 3.468 -0.065 -17.325
275 HE2 TYR 44 HE2 TYR 44 1.305 -3.481 -15.971
276 HH TYR 44 HH TYR 44 4.305 -2.053 -17.230
277 H GLY 45 H GLY 45 -0.878 -0.517 -18.207
278 1HA GLY 45 1HA GLY 45 -2.542 -0.378 -20.337
279 2HA GLY 45 2HA GLY 45 -2.140 -1.867 -19.505
280 H SER 46 H SER 46 -3.407 -1.306 -16.952
281 HA SER 46 HA SER 46 -6.146 -1.638 -17.835
282 2HB SER 46 2HB SER 46 -5.008 -2.133 -15.053
283 HG SER 46 HG SER 46 -7.083 -2.568 -14.727
284 H SER 47 H SER 47 -6.292 0.766 -18.243
285 HA SER 47 HA SER 47 -6.016 2.502 -16.040
286 2HB SER 47 2HB SER 47 -7.316 2.831 -18.777
287 HG SER 47 HG SER 47 -7.663 4.409 -16.649
288 H SER 48 H SER 48 -7.412 1.127 -14.540
289 HA SER 48 HA SER 48 -10.199 1.891 -14.927
290 2HB SER 48 2HB SER 48 -10.410 -0.341 -13.352
291 HG SER 48 HG SER 48 -10.164 -0.796 -16.157
292 H ARG 49 H ARG 49 -11.433 1.931 -12.747
293 HA ARG 49 HA ARG 49 -10.476 3.735 -11.103
294 2HB ARG 49 2HB ARG 49 -11.850 2.319 -9.247
295 2HG ARG 49 2HG ARG 49 -12.521 4.423 -10.664
296 2HD ARG 49 2HD ARG 49 -14.579 3.615 -12.147
297 HE ARG 49 HE ARG 49 -11.759 4.001 -12.870
298 1HH1 ARG 49 1HH1 ARG 49 -15.011 3.426 -14.085
299 2HH1 ARG 49 2HH1 ARG 49 -14.670 4.055 -15.663
300 1HH2 ARG 49 1HH2 ARG 49 -11.309 4.831 -14.951
301 2HH2 ARG 49 2HH2 ARG 49 -12.551 4.859 -16.159
302 H ARG 50 H ARG 50 -8.512 3.870 -10.058
303 HA ARG 50 HA ARG 50 -6.711 2.033 -9.662
304 2HB ARG 50 2HB ARG 50 -6.178 4.250 -8.959
305 2HG ARG 50 2HG ARG 50 -8.704 3.973 -7.350
306 2HD ARG 50 2HD ARG 50 -6.367 5.785 -6.575
307 HE ARG 50 HE ARG 50 -9.073 6.406 -6.357
308 1HH1 ARG 50 1HH1 ARG 50 -6.477 5.782 -4.065
309 2HH1 ARG 50 2HH1 ARG 50 -7.148 6.799 -2.834
310 1HH2 ARG 50 1HH2 ARG 50 -9.957 7.748 -4.734
311 2HH2 ARG 50 2HH2 ARG 50 -9.140 7.925 -3.217
312 H ALA 51 H ALA 51 -6.835 -0.043 -8.861
313 HA ALA 51 HA ALA 51 -8.800 -1.169 -7.445
314 1HB ALA 51 1HB ALA 51 -6.506 -2.060 -8.423
315 2HB ALA 51 2HB ALA 51 -5.965 -1.892 -6.735
316 3HB ALA 51 3HB ALA 51 -7.341 -2.950 -7.128
317 H CYS 52 H CYS 52 -5.849 0.361 -5.971
318 HA CYS 52 HA CYS 52 -5.429 0.900 -3.860
319 2HB CYS 52 2HB CYS 52 -8.042 2.193 -3.414
320 HG CYS 52 HG CYS 52 -5.143 2.364 -2.598
321 H GLN 53 H GLN 53 -6.725 -1.755 -4.265
322 HA GLN 53 HA GLN 53 -8.789 -2.367 -2.709
323 2HB GLN 53 2HB GLN 53 -6.166 -3.859 -3.093
324 2HG GLN 53 2HG GLN 53 -8.458 -4.487 -1.332
325 1HE2 GLN 53 2HE2 GLN 53 -9.779 -4.981 -3.398
326 2HE2 GLN 53 1HE2 GLN 53 -9.828 -6.641 -3.892
327 H THR 54 H THR 54 -5.351 -2.140 -1.540
328 HA THR 54 HA THR 54 -6.332 -2.198 1.207
329 HB THR 54 HB THR 54 -3.703 -2.604 -0.237
330 HG1 THR 54 HG1 THR 54 -5.180 -3.787 2.010
331 1HG2 THR 54 1HG2 THR 54 -4.090 -1.722 2.655
332 2HG2 THR 54 2HG2 THR 54 -2.753 -2.804 2.197
333 3HG2 THR 54 3HG2 THR 54 -2.860 -1.173 1.491
334 H GLY 55 H GLY 55 -6.891 0.091 -0.666
335 1HA GLY 55 1HA GLY 55 -5.692 2.330 -0.696
336 2HA GLY 55 2HA GLY 55 -7.249 2.277 0.105
337 H ILE 56 H ILE 56 -3.708 2.305 0.576
338 HA ILE 56 HA ILE 56 -3.759 2.175 3.382
339 HB ILE 56 HB ILE 56 -1.860 2.191 1.361
340 2HG1 ILE 56 2HG1 ILE 56 -1.307 2.339 4.335
341 1HG2 ILE 56 1HG2 ILE 56 -1.975 4.767 1.741
342 2HG2 ILE 56 2HG2 ILE 56 -1.046 4.407 3.216
343 3HG2 ILE 56 3HG2 ILE 56 -0.395 3.957 1.621
344 1HD1 ILE 56 1HD1 ILE 56 -2.834 0.384 2.734
345 2HD1 ILE 56 2HD1 ILE 56 -1.446 -0.341 3.580
346 3HD1 ILE 56 3HD1 ILE 56 -2.689 0.538 4.502
347 H VAL 57 H VAL 57 -5.097 4.457 1.318
348 HA VAL 57 HA VAL 57 -4.602 6.633 3.224
349 HB VAL 57 HB VAL 57 -5.971 7.462 0.851
350 1HG1 VAL 57 1HG1 VAL 57 -3.195 7.989 1.962
351 2HG1 VAL 57 2HG1 VAL 57 -3.917 8.874 0.596
352 3HG1 VAL 57 3HG1 VAL 57 -4.664 8.963 2.210
353 1HG2 VAL 57 1HG2 VAL 57 -3.479 5.796 0.378
354 2HG2 VAL 57 2HG2 VAL 57 -5.102 5.546 -0.309
355 3HG2 VAL 57 3HG2 VAL 57 -4.138 6.961 -0.795
356 H ASP 58 H ASP 58 -7.149 4.901 1.323
357 HA ASP 58 HA ASP 58 -9.140 6.186 2.965
358 2HB ASP 58 2HB ASP 58 -9.886 4.053 0.995
359 H GLU 59 H GLU 59 -7.498 3.074 2.367
360 HA GLU 59 HA GLU 59 -9.364 1.620 3.977
361 2HB GLU 59 2HB GLU 59 -6.724 0.421 3.235
362 2HG GLU 59 2HG GLU 59 -8.756 -1.140 2.207
363 H CYS 60 H CYS 60 -6.347 3.385 4.353
364 HA CYS 60 HA CYS 60 -5.711 2.073 6.836
365 2HB CYS 60 2HB CYS 60 -4.367 4.579 5.908
366 H CYS 61 H CYS 61 -6.872 5.271 5.590
367 HA CYS 61 HA CYS 61 -7.009 6.562 8.028
368 2HB CYS 61 2HB CYS 61 -9.071 7.672 6.623
369 H PHE 62 H PHE 62 -9.184 4.250 6.368
370 HA PHE 62 HA PHE 62 -11.239 4.610 8.367
371 2HB PHE 62 2HB PHE 62 -12.160 2.604 6.896
372 HD1 PHE 62 HD1 PHE 62 -10.509 5.659 5.501
373 HD2 PHE 62 HD2 PHE 62 -14.093 3.441 5.987
374 HE1 PHE 62 HE1 PHE 62 -11.776 7.439 4.266
375 HE2 PHE 62 HE2 PHE 62 -15.361 5.220 4.751
376 HZ PHE 62 HZ PHE 62 -14.188 7.197 3.905
377 H ARG 63 H ARG 63 -8.784 2.172 7.348
378 HA ARG 63 HA ARG 63 -9.571 0.606 9.661
379 2HB ARG 63 2HB ARG 63 -7.545 -0.396 7.661
380 2HG ARG 63 2HG ARG 63 -9.653 -2.240 8.136
381 2HD ARG 63 2HD ARG 63 -6.939 -2.011 9.525
382 HE ARG 63 HE ARG 63 -8.938 -3.922 9.931
383 1HH1 ARG 63 1HH1 ARG 63 -5.648 -3.961 8.681
384 2HH1 ARG 63 2HH1 ARG 63 -5.338 -5.587 9.192
385 1HH2 ARG 63 1HH2 ARG 63 -8.528 -6.067 10.605
386 2HH2 ARG 63 2HH2 ARG 63 -6.987 -6.793 10.293
387 H SER 64 H SER 64 -8.460 1.695 11.354
388 HA SER 64 HA SER 64 -6.170 2.958 11.379
389 2HB SER 64 2HB SER 64 -5.793 1.992 13.727
390 HG SER 64 HG SER 64 -7.131 3.701 13.899
391 H CYS 65 H CYS 65 -4.480 2.348 9.991
392 HA CYS 65 HA CYS 65 -3.241 -0.225 10.644
393 2HB CYS 65 2HB CYS 65 -4.441 0.090 8.327
394 H ASP 66 H ASP 66 -1.571 0.494 11.981
395 HA ASP 66 HA ASP 66 -0.402 2.935 11.898
396 2HB ASP 66 2HB ASP 66 1.434 1.928 13.179
397 H LEU 67 H LEU 67 2.432 1.306 11.703
398 HA LEU 67 HA LEU 67 2.827 2.061 8.919
399 2HB LEU 67 2HB LEU 67 4.347 3.039 10.471
400 HG LEU 67 HG LEU 67 4.205 1.006 12.148
401 1HD1 LEU 67 1HD1 LEU 67 5.919 -0.031 10.067
402 2HD1 LEU 67 2HD1 LEU 67 6.790 0.051 11.617
403 3HD1 LEU 67 3HD1 LEU 67 5.254 -0.841 11.504
404 1HD2 LEU 67 1HD2 LEU 67 5.550 3.297 12.146
405 2HD2 LEU 67 2HD2 LEU 67 5.817 2.042 13.380
406 3HD2 LEU 67 3HD2 LEU 67 6.938 2.191 12.007
407 H ARG 68 H ARG 68 2.115 -0.684 10.849
408 HA ARG 68 HA ARG 68 3.632 -2.648 9.808
409 2HB ARG 68 2HB ARG 68 1.545 -4.126 10.174
410 2HG ARG 68 2HG ARG 68 1.423 -3.611 12.642
411 2HD ARG 68 2HD ARG 68 3.711 -4.390 11.114
412 HE ARG 68 HE ARG 68 5.243 -2.765 11.815
413 1HH1 ARG 68 1HH1 ARG 68 3.124 -3.583 14.503
414 2HH1 ARG 68 2HH1 ARG 68 4.020 -2.654 15.659
415 1HH2 ARG 68 1HH2 ARG 68 6.426 -1.541 13.339
416 2HH2 ARG 68 2HH2 ARG 68 5.910 -1.484 14.992
417 H ARG 69 H ARG 69 0.651 -1.142 8.424
418 HA ARG 69 HA ARG 69 0.549 -2.907 6.249
419 2HB ARG 69 2HB ARG 69 -0.707 -0.365 5.630
420 2HG ARG 69 2HG ARG 69 -1.382 -2.918 5.254
421 2HD ARG 69 2HD ARG 69 -3.444 -2.641 7.284
422 HE ARG 69 HE ARG 69 -3.038 -4.872 6.604
423 1HH1 ARG 69 1HH1 ARG 69 -0.131 -3.455 7.992
424 2HH1 ARG 69 2HH1 ARG 69 0.706 -4.966 8.105
425 1HH2 ARG 69 1HH2 ARG 69 -1.934 -6.867 6.753
426 2HH2 ARG 69 2HH2 ARG 69 -0.325 -6.920 7.395
427 H LEU 70 H LEU 70 1.484 0.602 6.559
428 HA LEU 70 HA LEU 70 2.245 1.111 4.016
429 2HB LEU 70 2HB LEU 70 2.173 2.669 5.964
430 HG LEU 70 HG LEU 70 3.757 1.363 7.460
431 1HD1 LEU 70 1HD1 LEU 70 5.477 1.639 5.229
432 2HD1 LEU 70 2HD1 LEU 70 6.175 2.606 6.550
433 3HD1 LEU 70 3HD1 LEU 70 5.818 0.881 6.803
434 1HD2 LEU 70 1HD2 LEU 70 3.035 3.766 7.764
435 2HD2 LEU 70 2HD2 LEU 70 4.570 3.310 8.539
436 3HD2 LEU 70 3HD2 LEU 70 4.581 4.239 7.021
437 H GLU 71 H GLU 71 3.945 -0.856 6.463
438 HA GLU 71 HA GLU 71 6.327 -1.002 4.969
439 2HB GLU 71 2HB GLU 71 6.107 -3.273 6.693
440 2HG GLU 71 2HG GLU 71 7.390 -1.241 8.134
441 H MET 72 H MET 72 3.333 -2.962 5.221
442 HA MET 72 HA MET 72 4.214 -5.207 3.920
443 2HB MET 72 2HB MET 72 1.530 -4.809 3.102
444 2HG MET 72 2HG MET 72 0.958 -6.219 5.060
445 1HE MET 72 1HE MET 72 2.926 -7.988 6.216
446 2HE MET 72 2HE MET 72 2.245 -9.291 5.214
447 3HE MET 72 3HE MET 72 3.991 -8.950 5.166
448 H TYR 73 H TYR 73 2.654 -2.230 2.544
449 HA TYR 73 HA TYR 73 3.085 -3.205 -0.139
450 2HB TYR 73 2HB TYR 73 2.363 -0.414 0.018
451 HD1 TYR 73 HD1 TYR 73 0.701 -3.758 0.450
452 HD2 TYR 73 HD2 TYR 73 0.816 -0.043 -1.669
453 HE1 TYR 73 HE1 TYR 73 -1.162 -4.564 -1.080
454 HE2 TYR 73 HE2 TYR 73 -1.048 -0.862 -3.191
455 HH TYR 73 HH TYR 73 -2.480 -2.430 -3.595
456 H CYS 74 H CYS 74 4.857 -1.434 2.257
457 HA CYS 74 HA CYS 74 6.204 0.511 1.449
458 2HB CYS 74 2HB CYS 74 7.963 -1.897 1.766
459 H ALA 75 H ALA 75 5.136 0.122 -0.959
460 HA ALA 75 HA ALA 75 6.766 -1.307 -2.782
461 1HB ALA 75 1HB ALA 75 4.331 0.337 -2.782
462 2HB ALA 75 2HB ALA 75 5.327 0.575 -4.238
463 3HB ALA 75 3HB ALA 75 4.766 -1.057 -3.801
464 HA PRO 76 HA PRO 76 9.855 1.692 -3.309
465 2HB PRO 76 2HB PRO 76 11.403 0.088 -3.888
466 2HG PRO 76 2HG PRO 76 10.498 -1.915 -4.588
467 2HD PRO 76 2HD PRO 76 8.446 -1.818 -3.555
468 H LEU 77 H LEU 77 7.143 1.511 -5.026
469 HA LEU 77 HA LEU 77 7.392 2.672 -7.385
470 2HB LEU 77 2HB LEU 77 5.432 4.221 -6.061
471 HG LEU 77 HG LEU 77 5.290 1.673 -7.676
472 1HD1 LEU 77 1HD1 LEU 77 3.368 2.437 -5.793
473 2HD1 LEU 77 2HD1 LEU 77 2.724 2.977 -7.362
474 3HD1 LEU 77 3HD1 LEU 77 3.177 1.272 -7.126
475 1HD2 LEU 77 1HD2 LEU 77 5.164 4.554 -8.231
476 2HD2 LEU 77 2HD2 LEU 77 5.552 3.186 -9.302
477 3HD2 LEU 77 3HD2 LEU 77 3.853 3.611 -8.979
478 H LYS 78 H LYS 78 7.881 4.664 -8.333
479 HA LYS 78 HA LYS 78 9.884 6.146 -7.354
480 2HB LYS 78 2HB LYS 78 7.597 6.961 -9.160
481 2HG LYS 78 2HG LYS 78 10.270 8.377 -9.048
482 2HD LYS 78 2HD LYS 78 7.547 9.556 -9.671
483 2HE LYS 78 2HE LYS 78 10.244 10.489 -9.710
484 1HZ LYS 78 1HZ LYS 78 9.256 9.687 -12.289
485 2HZ LYS 78 2HZ LYS 78 9.877 11.196 -12.212
486 3HZ LYS 78 3HZ LYS 78 10.792 9.912 -11.786
487 HA PRO 79 HA PRO 79 8.309 8.416 -4.030
488 2HB PRO 79 2HB PRO 79 10.408 8.643 -3.109
489 2HG PRO 79 2HG PRO 79 12.147 8.352 -4.595
490 2HD PRO 79 2HD PRO 79 11.113 7.053 -6.186
491 H ALA 80 H ALA 80 7.739 10.682 -3.240
492 HA ALA 80 HA ALA 80 6.282 11.852 -5.413
493 1HB ALA 80 1HB ALA 80 6.037 11.665 -2.619
494 2HB ALA 80 2HB ALA 80 6.349 13.389 -2.934
495 3HB ALA 80 3HB ALA 80 4.979 12.574 -3.725
496 H LYS 81 H LYS 81 6.441 14.624 -4.592
497 HA LYS 81 HA LYS 81 9.011 15.615 -4.449
498 2HB LYS 81 2HB LYS 81 8.568 16.269 -7.184
499 2HG LYS 81 2HG LYS 81 10.651 14.263 -6.416
500 2HD LYS 81 2HD LYS 81 10.285 16.331 -8.351
501 2HE LYS 81 2HE LYS 81 12.334 16.970 -6.211
502 1HZ LYS 81 1HZ LYS 81 12.837 16.889 -8.953
503 2HZ LYS 81 2HZ LYS 81 12.823 18.451 -8.476
504 3HZ LYS 81 3HZ LYS 81 13.827 17.385 -7.752
505 H SER 82 H SER 82 6.393 16.068 -3.382
506 HA SER 82 HA SER 82 4.700 17.746 -4.270
507 2HB SER 82 2HB SER 82 6.315 18.218 -1.728
508 HG SER 82 HG SER 82 3.604 19.074 -2.198
509 H ALA 83 H ALA 83 5.082 19.138 -6.004
510 HA ALA 83 HA ALA 83 7.278 21.045 -5.732
511 1HB ALA 83 1HB ALA 83 5.522 20.169 -8.057
512 2HB ALA 83 2HB ALA 83 6.720 21.481 -8.163
513 3HB ALA 83 3HB ALA 83 7.249 19.818 -7.807
Start of MODEL 7
1 H MET 1 H MET 1 1.963 17.741 -11.589
2 HA MET 1 HA MET 1 4.016 18.448 -9.715
3 2HB MET 1 2HB MET 1 2.189 17.706 -8.055
4 2HG MET 1 2HG MET 1 0.474 19.500 -8.956
5 1HE MET 1 1HE MET 1 0.877 22.022 -8.794
6 2HE MET 1 2HE MET 1 0.599 21.537 -7.104
7 3HE MET 1 3HE MET 1 1.913 22.672 -7.501
8 H PHE 2 H PHE 2 5.671 17.012 -9.402
9 HA PHE 2 HA PHE 2 6.762 15.118 -9.106
10 2HB PHE 2 2HB PHE 2 5.810 13.736 -7.398
11 HD1 PHE 2 HD1 PHE 2 6.626 15.579 -5.991
12 HD2 PHE 2 HD2 PHE 2 2.689 15.597 -7.572
13 HE1 PHE 2 HE1 PHE 2 5.975 17.364 -4.350
14 HE2 PHE 2 HE2 PHE 2 2.038 17.383 -5.932
15 HZ PHE 2 HZ PHE 2 3.689 18.244 -4.341
16 HA PRO 3 HA PRO 3 5.891 12.204 -12.191
17 2HB PRO 3 2HB PRO 3 7.955 11.200 -12.004
18 2HG PRO 3 2HG PRO 3 8.946 11.416 -9.932
19 2HD PRO 3 2HD PRO 3 7.898 13.317 -9.174
20 H ALA 4 H ALA 4 5.710 9.220 -11.457
21 HA ALA 4 HA ALA 4 3.298 8.560 -11.979
22 1HB ALA 4 1HB ALA 4 5.241 7.279 -10.688
23 2HB ALA 4 2HB ALA 4 4.172 7.546 -9.290
24 3HB ALA 4 3HB ALA 4 3.577 6.648 -10.707
25 H MET 5 H MET 5 4.085 9.951 -8.720
26 HA MET 5 HA MET 5 1.527 9.942 -7.753
27 2HB MET 5 2HB MET 5 3.729 12.033 -7.291
28 2HG MET 5 2HG MET 5 2.604 11.751 -4.872
29 1HE MET 5 1HE MET 5 2.317 13.521 -3.884
30 2HE MET 5 2HE MET 5 2.375 15.169 -4.554
31 3HE MET 5 3HE MET 5 0.805 14.404 -4.210
32 HA PRO 6 HA PRO 6 -0.274 13.004 -10.328
33 2HB PRO 6 2HB PRO 6 -2.151 11.723 -10.704
34 2HG PRO 6 2HG PRO 6 -2.426 9.963 -9.238
35 2HD PRO 6 2HD PRO 6 -0.249 9.647 -8.567
36 H LEU 7 H LEU 7 -2.440 13.254 -7.634
37 HA LEU 7 HA LEU 7 -1.009 15.433 -6.474
38 2HB LEU 7 2HB LEU 7 -1.958 16.450 -8.540
39 HG LEU 7 HG LEU 7 -4.448 15.333 -7.559
40 1HD1 LEU 7 1HD1 LEU 7 -4.135 18.259 -7.356
41 2HD1 LEU 7 2HD1 LEU 7 -5.560 17.712 -8.272
42 3HD1 LEU 7 3HD1 LEU 7 -5.317 17.165 -6.595
43 1HD2 LEU 7 1HD2 LEU 7 -3.582 15.171 -9.866
44 2HD2 LEU 7 2HD2 LEU 7 -5.220 15.864 -9.792
45 3HD2 LEU 7 3HD2 LEU 7 -3.816 16.924 -10.060
46 H SER 8 H SER 8 -1.509 13.233 -5.157
47 HA SER 8 HA SER 8 -3.444 14.062 -3.269
48 2HB SER 8 2HB SER 8 -5.157 12.588 -3.618
49 HG SER 8 HG SER 8 -5.615 12.668 -5.710
50 H SER 9 H SER 9 -0.826 13.918 -2.794
51 HA SER 9 HA SER 9 -0.614 11.519 -1.194
52 2HB SER 9 2HB SER 9 0.958 12.042 -3.581
53 HG SER 9 HG SER 9 2.992 11.306 -2.277
54 H LEU 10 H LEU 10 -0.788 12.651 0.760
55 HA LEU 10 HA LEU 10 0.305 13.615 2.508
56 2HB LEU 10 2HB LEU 10 1.988 15.293 0.676
57 HG LEU 10 HG LEU 10 1.917 15.185 3.412
58 1HD1 LEU 10 1HD1 LEU 10 3.184 12.784 2.657
59 2HD1 LEU 10 2HD1 LEU 10 4.473 13.872 3.226
60 3HD1 LEU 10 3HD1 LEU 10 3.084 13.510 4.280
61 1HD2 LEU 10 1HD2 LEU 10 3.186 16.651 1.581
62 2HD2 LEU 10 2HD2 LEU 10 3.622 16.683 3.307
63 3HD2 LEU 10 3HD2 LEU 10 4.572 15.700 2.166
64 H PHE 11 H PHE 11 -2.014 14.370 0.676
65 HA PHE 11 HA PHE 11 -2.881 16.572 2.089
66 2HB PHE 11 2HB PHE 11 -2.222 17.342 -0.782
67 HD1 PHE 11 HD1 PHE 11 -1.630 18.660 2.667
68 HD2 PHE 11 HD2 PHE 11 -3.383 19.294 -1.145
69 HE1 PHE 11 HE1 PHE 11 -2.388 20.940 3.395
70 HE2 PHE 11 HE2 PHE 11 -4.141 21.574 -0.417
71 HZ PHE 11 HZ PHE 11 -3.634 22.369 1.845
72 H VAL 12 H VAL 12 -3.811 14.000 1.127
73 HA VAL 12 HA VAL 12 -5.383 14.160 -1.146
74 HB VAL 12 HB VAL 12 -4.744 12.129 0.142
75 1HG1 VAL 12 1HG1 VAL 12 -6.183 13.488 2.238
76 2HG1 VAL 12 2HG1 VAL 12 -6.934 11.905 1.921
77 3HG1 VAL 12 3HG1 VAL 12 -5.202 12.004 2.321
78 1HG2 VAL 12 1HG2 VAL 12 -7.442 12.723 -0.931
79 2HG2 VAL 12 2HG2 VAL 12 -6.277 11.455 -1.381
80 3HG2 VAL 12 3HG2 VAL 12 -7.312 11.246 0.053
81 H ASN 13 H ASN 13 -7.787 13.317 0.897
82 HA ASN 13 HA ASN 13 -9.516 15.192 0.284
83 2HB ASN 13 2HB ASN 13 -10.746 14.643 2.369
84 1HD2 ASN 13 2HD2 ASN 13 -10.943 12.250 3.331
85 2HD2 ASN 13 1HD2 ASN 13 -10.882 11.000 2.136
86 H GLY 14 H GLY 14 -6.748 15.522 2.445
87 1HA GLY 14 1HA GLY 14 -6.902 18.331 2.547
88 2HA GLY 14 2HA GLY 14 -7.541 17.678 4.043
89 HA PRO 15 HA PRO 15 -3.085 17.791 4.662
90 2HB PRO 15 2HB PRO 15 -2.989 19.832 5.724
91 2HG PRO 15 2HG PRO 15 -5.039 20.714 6.304
92 2HD PRO 15 2HD PRO 15 -6.388 19.648 4.777
93 H ARG 16 H ARG 16 -2.042 17.302 7.220
94 HA ARG 16 HA ARG 16 -2.419 14.532 7.214
95 2HB ARG 16 2HB ARG 16 -0.351 15.942 7.974
96 2HG ARG 16 2HG ARG 16 -0.252 16.394 10.398
97 2HD ARG 16 2HD ARG 16 -1.951 18.245 10.538
98 HE ARG 16 HE ARG 16 -0.006 17.967 8.427
99 1HH1 ARG 16 1HH1 ARG 16 -2.699 19.992 9.441
100 2HH1 ARG 16 2HH1 ARG 16 -2.114 21.401 8.621
101 1HH2 ARG 16 1HH2 ARG 16 0.766 19.825 7.345
102 2HH2 ARG 16 2HH2 ARG 16 -0.130 21.305 7.421
103 H THR 17 H THR 17 -4.487 16.917 8.234
104 HA THR 17 HA THR 17 -5.366 15.481 10.639
105 HB THR 17 HB THR 17 -5.870 18.278 9.507
106 HG1 THR 17 HG1 THR 17 -4.830 18.635 11.704
107 1HG2 THR 17 1HG2 THR 17 -7.365 16.690 11.546
108 2HG2 THR 17 2HG2 THR 17 -6.786 18.273 12.119
109 3HG2 THR 17 3HG2 THR 17 -7.850 18.176 10.695
110 H LEU 18 H LEU 18 -6.103 16.032 7.266
111 HA LEU 18 HA LEU 18 -8.877 15.372 7.554
112 2HB LEU 18 2HB LEU 18 -7.991 15.053 4.882
113 HG LEU 18 HG LEU 18 -9.320 16.898 4.345
114 1HD1 LEU 18 1HD1 LEU 18 -10.328 14.921 5.974
115 2HD1 LEU 18 2HD1 LEU 18 -10.910 16.411 6.756
116 3HD1 LEU 18 3HD1 LEU 18 -11.285 16.099 5.044
117 1HD2 LEU 18 1HD2 LEU 18 -8.442 17.943 6.978
118 2HD2 LEU 18 2HD2 LEU 18 -8.670 18.775 5.421
119 3HD2 LEU 18 3HD2 LEU 18 -10.077 18.401 6.445
120 H CYS 19 H CYS 19 -6.834 13.731 5.145
121 HA CYS 19 HA CYS 19 -7.767 11.212 6.280
122 2HB CYS 19 2HB CYS 19 -6.435 11.085 3.682
123 H GLY 20 H GLY 20 -5.392 13.105 7.071
124 1HA GLY 20 1HA GLY 20 -3.293 12.858 7.829
125 2HA GLY 20 2HA GLY 20 -3.578 11.130 7.843
126 H ALA 21 H ALA 21 -1.256 13.041 6.923
127 HA ALA 21 HA ALA 21 -1.035 12.125 4.158
128 1HB ALA 21 1HB ALA 21 0.138 14.328 5.823
129 2HB ALA 21 2HB ALA 21 1.109 13.690 4.474
130 3HB ALA 21 3HB ALA 21 -0.507 14.372 4.165
131 H GLU 22 H GLU 22 -0.386 11.011 7.245
132 HA GLU 22 HA GLU 22 2.249 10.235 7.112
133 2HB GLU 22 2HB GLU 22 0.302 8.376 8.425
134 2HG GLU 22 2HG GLU 22 2.402 9.935 9.888
135 H LEU 23 H LEU 23 -0.746 8.362 6.238
136 HA LEU 23 HA LEU 23 0.101 6.010 5.510
137 2HB LEU 23 2HB LEU 23 -1.962 6.059 4.743
138 HG LEU 23 HG LEU 23 -3.008 8.173 3.688
139 1HD1 LEU 23 1HD1 LEU 23 -2.484 7.478 6.496
140 2HD1 LEU 23 2HD1 LEU 23 -2.950 9.176 6.233
141 3HD1 LEU 23 3HD1 LEU 23 -4.011 7.863 5.666
142 1HD2 LEU 23 1HD2 LEU 23 -0.409 9.124 3.885
143 2HD2 LEU 23 2HD2 LEU 23 -1.873 10.084 3.569
144 3HD2 LEU 23 3HD2 LEU 23 -1.258 9.918 5.232
145 H VAL 24 H VAL 24 0.853 9.008 3.653
146 HA VAL 24 HA VAL 24 2.487 7.471 1.822
147 HB VAL 24 HB VAL 24 1.205 9.152 0.809
148 1HG1 VAL 24 1HG1 VAL 24 2.230 11.073 2.927
149 2HG1 VAL 24 2HG1 VAL 24 1.229 11.526 1.528
150 3HG1 VAL 24 3HG1 VAL 24 0.574 10.438 2.774
151 1HG2 VAL 24 1HG2 VAL 24 4.045 9.299 0.796
152 2HG2 VAL 24 2HG2 VAL 24 2.907 9.772 -0.488
153 3HG2 VAL 24 3HG2 VAL 24 3.427 10.966 0.725
154 H ASP 25 H ASP 25 2.771 9.644 4.641
155 HA ASP 25 HA ASP 25 5.559 9.968 4.316
156 2HB ASP 25 2HB ASP 25 4.491 10.285 7.056
157 H ALA 26 H ALA 26 3.469 7.453 5.424
158 HA ALA 26 HA ALA 26 5.295 6.396 7.396
159 1HB ALA 26 1HB ALA 26 2.560 6.285 6.998
160 2HB ALA 26 2HB ALA 26 3.095 4.687 6.426
161 3HB ALA 26 3HB ALA 26 3.487 5.217 8.079
162 H LEU 27 H LEU 27 3.911 5.322 4.206
163 HA LEU 27 HA LEU 27 5.499 3.091 3.918
164 2HB LEU 27 2HB LEU 27 5.022 3.347 1.496
165 HG LEU 27 HG LEU 27 2.975 3.254 3.574
166 1HD1 LEU 27 1HD1 LEU 27 2.412 5.172 1.677
167 2HD1 LEU 27 2HD1 LEU 27 1.609 3.721 1.027
168 3HD1 LEU 27 3HD1 LEU 27 1.220 4.295 2.666
169 1HD2 LEU 27 1HD2 LEU 27 3.964 1.340 2.270
170 2HD2 LEU 27 2HD2 LEU 27 2.185 1.384 2.334
171 3HD2 LEU 27 3HD2 LEU 27 3.036 1.913 0.863
172 H GLN 28 H GLN 28 6.105 6.495 2.834
173 HA GLN 28 HA GLN 28 8.546 5.929 1.662
174 2HB GLN 28 2HB GLN 28 6.905 8.167 1.982
175 2HG GLN 28 2HG GLN 28 9.670 8.880 3.041
176 1HE2 GLN 28 2HE2 GLN 28 10.009 10.966 2.968
177 2HE2 GLN 28 1HE2 GLN 28 8.830 12.212 2.728
178 H PHE 29 H PHE 29 7.655 6.940 5.012
179 HA PHE 29 HA PHE 29 10.007 7.526 6.120
180 2HB PHE 29 2HB PHE 29 7.535 5.981 6.909
181 HD1 PHE 29 HD1 PHE 29 10.981 6.438 8.170
182 HD2 PHE 29 HD2 PHE 29 7.141 4.794 8.917
183 HE1 PHE 29 HE1 PHE 29 11.912 5.149 10.112
184 HE2 PHE 29 HE2 PHE 29 8.072 3.504 10.859
185 HZ PHE 29 HZ PHE 29 10.446 3.696 11.433
186 H VAL 30 H VAL 30 8.791 4.155 5.543
187 HA VAL 30 HA VAL 30 11.459 3.180 6.235
188 HB VAL 30 HB VAL 30 8.920 1.619 5.750
189 1HG1 VAL 30 1HG1 VAL 30 11.588 0.940 7.017
190 2HG1 VAL 30 2HG1 VAL 30 10.133 -0.070 7.194
191 3HG1 VAL 30 3HG1 VAL 30 10.835 0.205 5.581
192 1HG2 VAL 30 1HG2 VAL 30 8.539 3.207 7.573
193 2HG2 VAL 30 2HG2 VAL 30 8.650 1.543 8.197
194 3HG2 VAL 30 3HG2 VAL 30 10.026 2.658 8.381
195 H CYS 31 H CYS 31 8.884 2.852 3.695
196 HA CYS 31 HA CYS 31 10.382 1.374 1.927
197 2HB CYS 31 2HB CYS 31 8.670 3.264 0.554
198 H GLY 32 H GLY 32 10.510 4.779 2.859
199 1HA GLY 32 1HA GLY 32 12.975 5.388 1.986
200 2HA GLY 32 2HA GLY 32 12.024 5.606 0.531
201 H ASP 33 H ASP 33 13.131 7.092 3.390
202 HA ASP 33 HA ASP 33 10.994 8.708 4.047
203 2HB ASP 33 2HB ASP 33 12.546 9.926 5.355
204 H ARG 34 H ARG 34 11.479 8.480 1.088
205 HA ARG 34 HA ARG 34 12.038 11.284 0.539
206 2HB ARG 34 2HB ARG 34 12.835 10.628 -1.669
207 2HG ARG 34 2HG ARG 34 14.294 8.431 -0.704
208 2HD ARG 34 2HD ARG 34 14.694 11.246 -1.257
209 HE ARG 34 HE ARG 34 15.693 11.941 0.725
210 1HH1 ARG 34 1HH1 ARG 34 15.969 8.438 0.524
211 2HH1 ARG 34 2HH1 ARG 34 16.795 8.288 2.039
212 1HH2 ARG 34 1HH2 ARG 34 16.784 11.744 2.723
213 2HH2 ARG 34 2HH2 ARG 34 17.261 10.182 3.298
214 H GLY 35 H GLY 35 9.493 9.527 1.226
215 1HA GLY 35 1HA GLY 35 7.297 10.038 0.763
216 2HA GLY 35 2HA GLY 35 7.773 10.842 -0.719
217 H PHE 36 H PHE 36 6.017 8.294 0.353
218 HA PHE 36 HA PHE 36 6.902 6.493 -1.778
219 2HB PHE 36 2HB PHE 36 5.226 6.269 0.780
220 HD1 PHE 36 HD1 PHE 36 6.848 3.492 -0.969
221 HD2 PHE 36 HD2 PHE 36 3.148 5.378 -0.093
222 HE1 PHE 36 HE1 PHE 36 5.619 1.453 -1.767
223 HE2 PHE 36 HE2 PHE 36 1.921 3.339 -0.891
224 HZ PHE 36 HZ PHE 36 3.171 1.402 -1.718
225 H TYR 37 H TYR 37 5.369 5.634 -3.293
226 HA TYR 37 HA TYR 37 3.058 7.399 -3.635
227 2HB TYR 37 2HB TYR 37 4.457 5.323 -5.436
228 HD1 TYR 37 HD1 TYR 37 1.936 8.024 -5.160
229 HD2 TYR 37 HD2 TYR 37 3.843 5.209 -7.756
230 HE1 TYR 37 HE1 TYR 37 0.175 8.463 -6.941
231 HE2 TYR 37 HE2 TYR 37 2.076 5.658 -9.529
232 HH TYR 37 HH TYR 37 0.368 8.120 -9.785
233 H PHE 38 H PHE 38 1.076 6.673 -3.062
234 HA PHE 38 HA PHE 38 0.640 4.112 -2.100
235 2HB PHE 38 2HB PHE 38 -1.815 4.874 -2.455
236 HD1 PHE 38 HD1 PHE 38 0.525 4.926 -0.369
237 HD2 PHE 38 HD2 PHE 38 -2.174 7.860 -1.822
238 HE1 PHE 38 HE1 PHE 38 0.739 6.190 1.788
239 HE2 PHE 38 HE2 PHE 38 -1.960 9.125 0.336
240 HZ PHE 38 HZ PHE 38 -0.507 8.275 2.115
241 H ASN 39 H ASN 39 -1.762 4.954 -4.487
242 HA ASN 39 HA ASN 39 -1.572 2.439 -5.660
243 2HB ASN 39 2HB ASN 39 -2.884 4.805 -7.048
244 1HD2 ASN 39 2HD2 ASN 39 -3.237 1.561 -5.619
245 2HD2 ASN 39 1HD2 ASN 39 -4.121 0.841 -6.923
246 H LYS 40 H LYS 40 -1.952 3.099 -8.488
247 HA LYS 40 HA LYS 40 0.807 3.814 -9.150
248 2HB LYS 40 2HB LYS 40 -0.480 1.583 -9.815
249 2HG LYS 40 2HG LYS 40 -1.149 3.568 -12.040
250 2HD LYS 40 2HD LYS 40 -0.281 1.147 -12.642
251 2HE LYS 40 2HE LYS 40 -3.094 0.246 -12.382
252 1HZ LYS 40 1HZ LYS 40 -0.457 -0.908 -11.806
253 2HZ LYS 40 2HZ LYS 40 -1.860 -1.727 -11.641
254 3HZ LYS 40 3HZ LYS 40 -1.392 -1.199 -13.113
255 HA PRO 41 HA PRO 41 -0.429 7.294 -11.408
256 2HB PRO 41 2HB PRO 41 1.605 7.577 -12.450
257 2HG PRO 41 2HG PRO 41 2.809 5.633 -12.755
258 2HD PRO 41 2HD PRO 41 1.913 4.332 -11.084
259 H THR 42 H THR 42 -2.667 7.165 -11.357
260 HA THR 42 HA THR 42 -4.291 5.646 -12.812
261 HB THR 42 HB THR 42 -4.445 8.651 -12.256
262 HG1 THR 42 HG1 THR 42 -4.371 7.290 -10.386
263 1HG2 THR 42 1HG2 THR 42 -6.143 7.398 -14.013
264 2HG2 THR 42 2HG2 THR 42 -6.910 6.959 -12.468
265 3HG2 THR 42 3HG2 THR 42 -6.677 8.672 -12.890
266 H GLY 43 H GLY 43 -3.935 8.919 -14.216
267 1HA GLY 43 1HA GLY 43 -4.626 8.445 -16.734
268 2HA GLY 43 2HA GLY 43 -3.325 9.543 -16.320
269 H TYR 44 H TYR 44 -4.155 6.262 -17.431
270 HA TYR 44 HA TYR 44 -1.606 6.078 -18.744
271 2HB TYR 44 2HB TYR 44 -2.433 3.783 -16.922
272 HD1 TYR 44 HD1 TYR 44 -0.948 3.403 -19.381
273 HD2 TYR 44 HD2 TYR 44 0.475 4.650 -15.544
274 HE1 TYR 44 HE1 TYR 44 1.362 2.502 -19.937
275 HE2 TYR 44 HE2 TYR 44 2.782 3.745 -16.114
276 HH TYR 44 HH TYR 44 3.309 1.720 -18.801
277 H GLY 45 H GLY 45 -1.800 4.923 -20.631
278 1HA GLY 45 1HA GLY 45 -4.105 4.356 -21.849
279 2HA GLY 45 2HA GLY 45 -2.645 3.427 -22.119
280 H SER 46 H SER 46 -2.615 2.440 -19.237
281 HA SER 46 HA SER 46 -4.485 0.300 -19.717
282 2HB SER 46 2HB SER 46 -2.409 0.542 -17.500
283 HG SER 46 HG SER 46 -2.595 -1.707 -17.399
284 H SER 47 H SER 47 -6.354 1.826 -19.247
285 HA SER 47 HA SER 47 -6.590 2.855 -16.636
286 2HB SER 47 2HB SER 47 -8.300 2.676 -19.085
287 HG SER 47 HG SER 47 -9.952 3.802 -17.488
288 H SER 48 H SER 48 -6.014 0.712 -15.546
289 HA SER 48 HA SER 48 -8.198 -1.178 -15.600
290 2HB SER 48 2HB SER 48 -6.667 -2.625 -14.279
291 HG SER 48 HG SER 48 -5.986 -3.092 -16.258
292 H ARG 49 H ARG 49 -9.808 -1.074 -14.078
293 HA ARG 49 HA ARG 49 -10.180 0.812 -12.310
294 2HB ARG 49 2HB ARG 49 -11.923 -0.794 -12.587
295 2HG ARG 49 2HG ARG 49 -11.128 -3.167 -11.302
296 2HD ARG 49 2HD ARG 49 -12.310 -2.457 -13.689
297 HE ARG 49 HE ARG 49 -9.530 -2.937 -14.331
298 1HH1 ARG 49 1HH1 ARG 49 -12.798 -3.604 -15.450
299 2HH1 ARG 49 2HH1 ARG 49 -12.330 -3.783 -17.108
300 1HH2 ARG 49 1HH2 ARG 49 -8.912 -3.173 -16.518
301 2HH2 ARG 49 2HH2 ARG 49 -10.105 -3.537 -17.720
302 H ARG 50 H ARG 50 -8.809 1.665 -10.770
303 HA ARG 50 HA ARG 50 -6.601 0.704 -9.788
304 2HB ARG 50 2HB ARG 50 -7.627 2.924 -9.197
305 2HG ARG 50 2HG ARG 50 -9.774 1.470 -8.284
306 2HD ARG 50 2HD ARG 50 -8.870 2.591 -5.691
307 HE ARG 50 HE ARG 50 -9.808 -0.137 -5.748
308 1HH1 ARG 50 1HH1 ARG 50 -10.891 3.166 -6.297
309 2HH1 ARG 50 2HH1 ARG 50 -12.547 2.820 -5.921
310 1HH2 ARG 50 1HH2 ARG 50 -11.992 -0.592 -5.252
311 2HH2 ARG 50 2HH2 ARG 50 -13.176 0.669 -5.322
312 H ALA 51 H ALA 51 -6.081 -1.301 -8.963
313 HA ALA 51 HA ALA 51 -7.722 -3.224 -8.092
314 1HB ALA 51 1HB ALA 51 -4.914 -2.463 -7.244
315 2HB ALA 51 2HB ALA 51 -5.702 -3.945 -6.650
316 3HB ALA 51 3HB ALA 51 -5.427 -3.720 -8.395
317 H CYS 52 H CYS 52 -5.848 -1.294 -5.652
318 HA CYS 52 HA CYS 52 -7.662 -0.102 -4.215
319 2HB CYS 52 2HB CYS 52 -8.091 -3.044 -3.795
320 HG CYS 52 HG CYS 52 -8.858 -0.602 -1.699
321 H GLN 53 H GLN 53 -4.969 -2.335 -4.418
322 HA GLN 53 HA GLN 53 -3.878 -2.576 -2.071
323 2HB GLN 53 2HB GLN 53 -2.227 -3.223 -3.471
324 2HG GLN 53 2HG GLN 53 -3.540 -1.258 -5.381
325 1HE2 GLN 53 2HE2 GLN 53 -2.797 -1.214 -7.528
326 2HE2 GLN 53 1HE2 GLN 53 -1.132 -1.473 -7.933
327 H THR 54 H THR 54 -4.186 0.546 -3.812
328 HA THR 54 HA THR 54 -2.594 2.034 -2.004
329 HB THR 54 HB THR 54 -3.005 2.829 -4.273
330 HG1 THR 54 HG1 THR 54 -4.245 4.876 -3.556
331 1HG2 THR 54 1HG2 THR 54 -5.951 2.703 -3.452
332 2HG2 THR 54 2HG2 THR 54 -5.368 3.626 -4.857
333 3HG2 THR 54 3HG2 THR 54 -5.183 1.855 -4.816
334 H GLY 55 H GLY 55 -4.563 0.210 -0.713
335 1HA GLY 55 1HA GLY 55 -6.646 1.830 0.380
336 2HA GLY 55 2HA GLY 55 -6.136 0.238 0.910
337 H ILE 56 H ILE 56 -3.360 2.171 0.712
338 HA ILE 56 HA ILE 56 -3.095 2.246 3.529
339 HB ILE 56 HB ILE 56 -1.465 2.605 1.193
340 2HG1 ILE 56 2HG1 ILE 56 -0.510 2.303 4.039
341 1HG2 ILE 56 1HG2 ILE 56 -1.761 5.043 2.189
342 2HG2 ILE 56 2HG2 ILE 56 -0.538 4.459 3.341
343 3HG2 ILE 56 3HG2 ILE 56 -0.190 4.454 1.595
344 1HD1 ILE 56 1HD1 ILE 56 -2.263 0.509 2.439
345 2HD1 ILE 56 2HD1 ILE 56 -0.798 -0.262 3.092
346 3HD1 ILE 56 3HD1 ILE 56 -1.953 0.531 4.191
347 H VAL 57 H VAL 57 -4.767 4.219 1.288
348 HA VAL 57 HA VAL 57 -4.658 6.468 3.178
349 HB VAL 57 HB VAL 57 -5.749 7.288 0.708
350 1HG1 VAL 57 1HG1 VAL 57 -4.432 8.615 2.369
351 2HG1 VAL 57 2HG1 VAL 57 -2.961 7.791 1.799
352 3HG1 VAL 57 3HG1 VAL 57 -3.889 8.826 0.686
353 1HG2 VAL 57 1HG2 VAL 57 -3.263 5.584 0.386
354 2HG2 VAL 57 2HG2 VAL 57 -4.818 5.433 -0.467
355 3HG2 VAL 57 3HG2 VAL 57 -3.758 6.826 -0.788
356 H ASP 58 H ASP 58 -6.666 4.274 1.176
357 HA ASP 58 HA ASP 58 -9.048 5.507 2.202
358 2HB ASP 58 2HB ASP 58 -9.225 2.915 0.736
359 H GLU 59 H GLU 59 -7.008 2.580 2.541
360 HA GLU 59 HA GLU 59 -8.936 1.359 4.296
361 2HB GLU 59 2HB GLU 59 -6.216 0.165 3.962
362 2HG GLU 59 2HG GLU 59 -8.893 -1.106 3.334
363 H CYS 60 H CYS 60 -6.164 3.457 4.428
364 HA CYS 60 HA CYS 60 -5.452 2.687 7.106
365 2HB CYS 60 2HB CYS 60 -4.465 5.124 5.638
366 H CYS 61 H CYS 61 -7.179 5.292 5.314
367 HA CYS 61 HA CYS 61 -7.558 6.942 7.558
368 2HB CYS 61 2HB CYS 61 -9.568 7.696 5.953
369 H PHE 62 H PHE 62 -9.345 4.229 6.019
370 HA PHE 62 HA PHE 62 -11.530 4.532 7.894
371 2HB PHE 62 2HB PHE 62 -10.811 2.594 5.617
372 HD1 PHE 62 HD1 PHE 62 -14.108 3.844 6.718
373 HD2 PHE 62 HD2 PHE 62 -11.534 0.484 6.423
374 HE1 PHE 62 HE1 PHE 62 -16.016 2.330 7.325
375 HE2 PHE 62 HE2 PHE 62 -13.442 -1.030 7.030
376 HZ PHE 62 HZ PHE 62 -15.659 -0.089 7.474
377 H ARG 63 H ARG 63 -8.985 2.102 7.007
378 HA ARG 63 HA ARG 63 -9.609 0.770 9.508
379 2HB ARG 63 2HB ARG 63 -7.642 -0.595 7.800
380 2HG ARG 63 2HG ARG 63 -10.482 -1.299 8.682
381 2HD ARG 63 2HD ARG 63 -8.791 -2.586 6.788
382 HE ARG 63 HE ARG 63 -7.955 -3.489 9.286
383 1HH1 ARG 63 1HH1 ARG 63 -9.608 -4.954 6.546
384 2HH1 ARG 63 2HH1 ARG 63 -8.979 -6.539 6.850
385 1HH2 ARG 63 1HH2 ARG 63 -7.124 -5.580 9.687
386 2HH2 ARG 63 2HH2 ARG 63 -7.555 -6.897 8.649
387 H SER 64 H SER 64 -8.415 2.023 11.018
388 HA SER 64 HA SER 64 -6.217 3.353 10.870
389 2HB SER 64 2HB SER 64 -5.658 2.720 13.174
390 HG SER 64 HG SER 64 -8.056 3.509 12.416
391 H CYS 65 H CYS 65 -4.406 3.010 9.623
392 HA CYS 65 HA CYS 65 -3.143 0.377 9.888
393 2HB CYS 65 2HB CYS 65 -4.238 1.225 7.598
394 H ASP 66 H ASP 66 -1.669 0.978 11.532
395 HA ASP 66 HA ASP 66 -0.456 3.416 11.734
396 2HB ASP 66 2HB ASP 66 1.152 2.298 13.214
397 H LEU 67 H LEU 67 2.323 1.685 11.866
398 HA LEU 67 HA LEU 67 3.137 2.539 9.209
399 2HB LEU 67 2HB LEU 67 4.330 2.435 11.808
400 HG LEU 67 HG LEU 67 5.400 0.373 10.253
401 1HD1 LEU 67 1HD1 LEU 67 6.694 2.925 9.590
402 2HD1 LEU 67 2HD1 LEU 67 7.816 1.661 10.146
403 3HD1 LEU 67 3HD1 LEU 67 6.747 1.353 8.758
404 1HD2 LEU 67 1HD2 LEU 67 6.103 1.845 12.729
405 2HD2 LEU 67 2HD2 LEU 67 5.851 0.105 12.450
406 3HD2 LEU 67 3HD2 LEU 67 7.395 0.866 11.993
407 H ARG 68 H ARG 68 2.115 -0.286 10.925
408 HA ARG 68 HA ARG 68 3.670 -2.217 9.802
409 2HB ARG 68 2HB ARG 68 0.663 -2.472 10.291
410 2HG ARG 68 2HG ARG 68 2.327 -4.384 9.351
411 2HD ARG 68 2HD ARG 68 2.560 -4.597 12.393
412 HE ARG 68 HE ARG 68 4.079 -6.368 10.609
413 1HH1 ARG 68 1HH1 ARG 68 1.113 -5.966 12.460
414 2HH1 ARG 68 2HH1 ARG 68 0.798 -7.667 12.565
415 1HH2 ARG 68 1HH2 ARG 68 3.664 -8.611 10.748
416 2HH2 ARG 68 2HH2 ARG 68 2.259 -9.181 11.585
417 H ARG 69 H ARG 69 0.593 -0.729 8.581
418 HA ARG 69 HA ARG 69 0.306 -2.312 6.373
419 2HB ARG 69 2HB ARG 69 -0.471 0.451 5.797
420 2HG ARG 69 2HG ARG 69 -1.639 -1.638 5.012
421 2HD ARG 69 2HD ARG 69 -1.811 -2.058 7.940
422 HE ARG 69 HE ARG 69 -4.267 -1.469 6.849
423 1HH1 ARG 69 1HH1 ARG 69 -2.798 -4.478 7.929
424 2HH1 ARG 69 2HH1 ARG 69 -4.306 -5.206 8.369
425 1HH2 ARG 69 1HH2 ARG 69 -6.258 -2.428 7.430
426 2HH2 ARG 69 2HH2 ARG 69 -6.289 -4.031 8.083
427 H LEU 70 H LEU 70 1.984 0.894 6.730
428 HA LEU 70 HA LEU 70 2.728 1.346 4.167
429 2HB LEU 70 2HB LEU 70 3.170 2.559 6.482
430 HG LEU 70 HG LEU 70 5.098 0.912 7.002
431 1HD1 LEU 70 1HD1 LEU 70 5.967 1.366 4.538
432 2HD1 LEU 70 2HD1 LEU 70 6.824 2.699 5.349
433 3HD1 LEU 70 3HD1 LEU 70 7.082 1.020 5.882
434 1HD2 LEU 70 1HD2 LEU 70 5.004 3.868 7.260
435 2HD2 LEU 70 2HD2 LEU 70 5.078 2.599 8.508
436 3HD2 LEU 70 3HD2 LEU 70 6.554 3.078 7.637
437 H GLU 71 H GLU 71 4.093 -1.025 6.478
438 HA GLU 71 HA GLU 71 6.255 -1.658 4.768
439 2HB GLU 71 2HB GLU 71 5.624 -2.111 7.443
440 2HG GLU 71 2HG GLU 71 5.592 -4.745 5.897
441 H MET 72 H MET 72 2.918 -2.799 5.258
442 HA MET 72 HA MET 72 3.189 -5.247 3.983
443 2HB MET 72 2HB MET 72 0.567 -4.328 3.466
444 2HG MET 72 2HG MET 72 -0.008 -5.500 5.620
445 1HE MET 72 1HE MET 72 3.354 -7.058 5.180
446 2HE MET 72 2HE MET 72 2.236 -8.136 6.050
447 3HE MET 72 3HE MET 72 2.917 -8.636 4.483
448 H TYR 73 H TYR 73 1.893 -2.089 2.708
449 HA TYR 73 HA TYR 73 1.928 -3.114 0.023
450 2HB TYR 73 2HB TYR 73 1.618 -0.263 1.146
451 HD1 TYR 73 HD1 TYR 73 1.426 -2.526 -1.685
452 HD2 TYR 73 HD2 TYR 73 0.033 1.212 -0.137
453 HE1 TYR 73 HE1 TYR 73 0.724 -1.812 -4.021
454 HE2 TYR 73 HE2 TYR 73 -0.665 1.913 -2.478
455 HH TYR 73 HH TYR 73 -1.323 0.199 -4.750
456 H CYS 74 H CYS 74 4.039 -1.219 2.152
457 HA CYS 74 HA CYS 74 5.604 0.349 1.169
458 2HB CYS 74 2HB CYS 74 6.996 -2.309 1.384
459 H ALA 75 H ALA 75 4.117 -0.134 -1.092
460 HA ALA 75 HA ALA 75 4.926 -1.698 -3.092
461 1HB ALA 75 1HB ALA 75 3.130 0.052 -3.141
462 2HB ALA 75 2HB ALA 75 4.391 1.288 -3.363
463 3HB ALA 75 3HB ALA 75 4.141 0.038 -4.605
464 HA PRO 76 HA PRO 76 9.197 -0.514 -3.250
465 2HB PRO 76 2HB PRO 76 9.986 -2.551 -2.521
466 2HG PRO 76 2HG PRO 76 8.412 -4.237 -2.484
467 2HD PRO 76 2HD PRO 76 6.487 -2.993 -2.312
468 H LEU 77 H LEU 77 6.921 -1.244 -5.576
469 HA LEU 77 HA LEU 77 8.141 -1.468 -7.916
470 2HB LEU 77 2HB LEU 77 6.060 0.665 -7.505
471 HG LEU 77 HG LEU 77 6.738 0.282 -9.838
472 1HD1 LEU 77 1HD1 LEU 77 6.088 -2.593 -9.192
473 2HD1 LEU 77 2HD1 LEU 77 6.086 -1.967 -10.859
474 3HD1 LEU 77 3HD1 LEU 77 7.577 -1.911 -9.888
475 1HD2 LEU 77 1HD2 LEU 77 4.298 0.692 -9.007
476 2HD2 LEU 77 2HD2 LEU 77 4.601 0.267 -10.709
477 3HD2 LEU 77 3HD2 LEU 77 4.025 -0.974 -9.571
478 H LYS 78 H LYS 78 10.201 -0.714 -8.275
479 HA LYS 78 HA LYS 78 10.946 1.928 -7.527
480 2HB LYS 78 2HB LYS 78 12.649 0.572 -9.490
481 2HG LYS 78 2HG LYS 78 14.106 0.694 -7.249
482 2HD LYS 78 2HD LYS 78 13.659 2.430 -9.457
483 2HE LYS 78 2HE LYS 78 14.165 4.093 -6.968
484 1HZ LYS 78 1HZ LYS 78 13.912 4.503 -9.767
485 2HZ LYS 78 2HZ LYS 78 12.964 5.514 -8.904
486 3HZ LYS 78 3HZ LYS 78 14.573 5.473 -8.631
487 HA PRO 79 HA PRO 79 10.432 2.647 -12.167
488 2HB PRO 79 2HB PRO 79 11.017 0.917 -13.570
489 2HG PRO 79 2HG PRO 79 10.986 -1.170 -12.590
490 2HD PRO 79 2HD PRO 79 11.275 -0.591 -10.384
491 H ALA 80 H ALA 80 8.849 3.847 -13.256
492 HA ALA 80 HA ALA 80 6.122 3.144 -12.808
493 1HB ALA 80 1HB ALA 80 6.966 4.184 -10.596
494 2HB ALA 80 2HB ALA 80 7.049 5.716 -11.498
495 3HB ALA 80 3HB ALA 80 5.492 4.873 -11.318
496 H LYS 81 H LYS 81 8.006 6.234 -13.182
497 HA LYS 81 HA LYS 81 7.802 6.373 -15.933
498 2HB LYS 81 2HB LYS 81 5.425 6.438 -15.792
499 2HG LYS 81 2HG LYS 81 5.963 7.979 -13.350
500 2HD LYS 81 2HD LYS 81 5.037 9.652 -15.306
501 2HE LYS 81 2HE LYS 81 2.475 9.004 -13.877
502 1HZ LYS 81 1HZ LYS 81 3.379 10.420 -16.165
503 2HZ LYS 81 2HZ LYS 81 2.077 9.490 -16.490
504 3HZ LYS 81 3HZ LYS 81 2.005 10.609 -15.303
505 H SER 82 H SER 82 9.674 6.844 -13.815
506 HA SER 82 HA SER 82 10.124 9.094 -12.712
507 2HB SER 82 2HB SER 82 11.960 7.633 -14.630
508 HG SER 82 HG SER 82 13.461 9.109 -12.996
509 H ALA 83 H ALA 83 9.730 11.233 -13.134
510 HA ALA 83 HA ALA 83 9.667 12.053 -15.942
511 1HB ALA 83 1HB ALA 83 7.632 12.428 -14.617
512 2HB ALA 83 2HB ALA 83 8.568 13.344 -13.411
513 3HB ALA 83 3HB ALA 83 8.377 13.982 -15.062
Start of MODEL 8
1 H MET 1 H MET 1 -0.552 -1.634 -6.821
2 HA MET 1 HA MET 1 -2.905 -0.279 -7.870
3 2HB MET 1 2HB MET 1 -2.223 1.050 -6.075
4 2HG MET 1 2HG MET 1 -0.405 -0.519 -5.383
5 1HE MET 1 1HE MET 1 1.787 -1.128 -5.076
6 2HE MET 1 2HE MET 1 1.743 -2.168 -6.520
7 3HE MET 1 3HE MET 1 3.124 -1.077 -6.251
8 H PHE 2 H PHE 2 -2.180 -1.579 -9.942
9 HA PHE 2 HA PHE 2 -0.144 -1.474 -11.464
10 2HB PHE 2 2HB PHE 2 -2.396 -0.021 -12.798
11 HD1 PHE 2 HD1 PHE 2 -0.858 -3.377 -12.237
12 HD2 PHE 2 HD2 PHE 2 -2.515 -0.636 -15.021
13 HE1 PHE 2 HE1 PHE 2 -0.262 -4.928 -14.118
14 HE2 PHE 2 HE2 PHE 2 -1.919 -2.188 -16.903
15 HZ PHE 2 HZ PHE 2 -0.799 -4.315 -16.428
16 HA PRO 3 HA PRO 3 1.418 2.580 -11.710
17 2HB PRO 3 2HB PRO 3 3.589 1.813 -11.769
18 2HG PRO 3 2HG PRO 3 3.810 -0.407 -12.355
19 2HD PRO 3 2HD PRO 3 1.737 -1.197 -11.751
20 H ALA 4 H ALA 4 1.022 0.873 -14.772
21 HA ALA 4 HA ALA 4 1.023 2.773 -16.578
22 1HB ALA 4 1HB ALA 4 -0.980 0.562 -16.086
23 2HB ALA 4 2HB ALA 4 -1.123 1.618 -17.511
24 3HB ALA 4 3HB ALA 4 0.343 0.636 -17.274
25 H MET 5 H MET 5 -2.224 2.091 -15.132
26 HA MET 5 HA MET 5 -3.321 4.462 -15.830
27 2HB MET 5 2HB MET 5 -4.402 3.695 -13.262
28 2HG MET 5 2HG MET 5 -5.415 2.512 -15.850
29 1HE MET 5 1HE MET 5 -6.548 0.822 -14.162
30 2HE MET 5 2HE MET 5 -8.260 1.232 -13.895
31 3HE MET 5 3HE MET 5 -7.554 1.378 -15.523
32 HA PRO 6 HA PRO 6 -2.096 7.456 -12.921
33 2HB PRO 6 2HB PRO 6 -3.654 9.010 -13.597
34 2HG PRO 6 2HG PRO 6 -5.578 8.115 -14.501
35 2HD PRO 6 2HD PRO 6 -4.787 6.074 -15.205
36 H LEU 7 H LEU 7 -3.107 8.590 -10.580
37 HA LEU 7 HA LEU 7 -3.677 6.440 -8.788
38 2HB LEU 7 2HB LEU 7 -1.465 5.862 -8.763
39 HG LEU 7 HG LEU 7 -0.894 8.653 -9.491
40 1HD1 LEU 7 1HD1 LEU 7 0.923 7.242 -7.520
41 2HD1 LEU 7 2HD1 LEU 7 1.328 8.715 -8.434
42 3HD1 LEU 7 3HD1 LEU 7 0.009 8.743 -7.240
43 1HD2 LEU 7 1HD2 LEU 7 -0.409 6.140 -10.528
44 2HD2 LEU 7 2HD2 LEU 7 0.322 7.667 -11.080
45 3HD2 LEU 7 3HD2 LEU 7 1.183 6.640 -9.909
46 H SER 8 H SER 8 -3.291 7.518 -6.371
47 HA SER 8 HA SER 8 -3.777 10.310 -6.389
48 2HB SER 8 2HB SER 8 -6.036 10.401 -5.816
49 HG SER 8 HG SER 8 -7.206 8.902 -7.187
50 H SER 9 H SER 9 -1.683 9.162 -5.209
51 HA SER 9 HA SER 9 -2.435 8.414 -2.523
52 2HB SER 9 2HB SER 9 -0.718 6.988 -2.975
53 HG SER 9 HG SER 9 0.719 7.240 -4.687
54 H LEU 10 H LEU 10 -3.264 10.875 -2.553
55 HA LEU 10 HA LEU 10 -2.033 12.301 -0.695
56 2HB LEU 10 2HB LEU 10 0.038 12.544 -1.643
57 HG LEU 10 HG LEU 10 -1.100 12.015 -4.124
58 1HD1 LEU 10 1HD1 LEU 10 -1.556 14.513 -4.237
59 2HD1 LEU 10 2HD1 LEU 10 0.207 14.729 -4.342
60 3HD1 LEU 10 3HD1 LEU 10 -0.652 13.802 -5.596
61 1HD2 LEU 10 1HD2 LEU 10 1.543 12.312 -2.941
62 2HD2 LEU 10 2HD2 LEU 10 0.951 11.149 -4.151
63 3HD2 LEU 10 3HD2 LEU 10 1.524 12.754 -4.665
64 H PHE 11 H PHE 11 -4.598 11.747 -1.790
65 HA PHE 11 HA PHE 11 -5.621 14.404 -1.829
66 2HB PHE 11 2HB PHE 11 -6.393 12.697 -4.214
67 HD1 PHE 11 HD1 PHE 11 -8.434 14.140 -4.012
68 HD2 PHE 11 HD2 PHE 11 -4.584 15.770 -4.738
69 HE1 PHE 11 HE1 PHE 11 -9.489 16.272 -4.812
70 HE2 PHE 11 HE2 PHE 11 -5.639 17.902 -5.538
71 HZ PHE 11 HZ PHE 11 -8.078 18.128 -5.566
72 H VAL 12 H VAL 12 -5.752 11.674 -0.421
73 HA VAL 12 HA VAL 12 -8.081 10.342 -0.939
74 HB VAL 12 HB VAL 12 -6.165 9.944 0.749
75 1HG1 VAL 12 1HG1 VAL 12 -8.108 11.497 2.493
76 2HG1 VAL 12 2HG1 VAL 12 -6.732 10.533 3.085
77 3HG1 VAL 12 3HG1 VAL 12 -6.444 11.971 2.075
78 1HG2 VAL 12 1HG2 VAL 12 -8.708 8.855 0.417
79 2HG2 VAL 12 2HG2 VAL 12 -7.353 8.135 1.318
80 3HG2 VAL 12 3HG2 VAL 12 -8.571 9.111 2.172
81 H ASN 13 H ASN 13 -7.607 13.194 1.262
82 HA ASN 13 HA ASN 13 -10.495 13.488 1.239
83 2HB ASN 13 2HB ASN 13 -9.779 15.314 3.067
84 1HD2 ASN 13 2HD2 ASN 13 -10.452 14.764 5.070
85 2HD2 ASN 13 1HD2 ASN 13 -10.929 13.170 5.554
86 H GLY 14 H GLY 14 -8.030 14.359 -0.686
87 1HA GLY 14 1HA GLY 14 -8.656 16.092 -2.329
88 2HA GLY 14 2HA GLY 14 -8.901 17.174 -0.972
89 HA PRO 15 HA PRO 15 -4.678 18.156 -1.036
90 2HB PRO 15 2HB PRO 15 -4.951 19.880 0.467
91 2HG PRO 15 2HG PRO 15 -6.781 19.669 1.854
92 2HD PRO 15 2HD PRO 15 -8.109 18.298 0.572
93 H ARG 16 H ARG 16 -2.452 17.855 0.287
94 HA ARG 16 HA ARG 16 -2.295 14.971 0.356
95 2HB ARG 16 2HB ARG 16 -0.585 15.767 -1.050
96 2HG ARG 16 2HG ARG 16 0.902 17.772 -0.054
97 2HD ARG 16 2HD ARG 16 -1.664 17.777 -1.628
98 HE ARG 16 HE ARG 16 -1.168 19.996 -0.041
99 1HH1 ARG 16 1HH1 ARG 16 -1.064 19.396 -3.507
100 2HH1 ARG 16 2HH1 ARG 16 -1.469 21.027 -3.930
101 1HH2 ARG 16 1HH2 ARG 16 -1.702 22.147 -0.599
102 2HH2 ARG 16 2HH2 ARG 16 -1.834 22.601 -2.266
103 H THR 17 H THR 17 -2.057 17.878 2.362
104 HA THR 17 HA THR 17 -0.797 16.455 4.555
105 HB THR 17 HB THR 17 -0.621 18.646 5.519
106 HG1 THR 17 HG1 THR 17 -2.656 19.331 3.516
107 1HG2 THR 17 1HG2 THR 17 0.355 18.333 2.990
108 2HG2 THR 17 2HG2 THR 17 -0.822 19.633 2.687
109 3HG2 THR 17 3HG2 THR 17 0.482 19.872 3.874
110 H LEU 18 H LEU 18 -3.606 15.839 3.337
111 HA LEU 18 HA LEU 18 -5.212 16.321 5.714
112 2HB LEU 18 2HB LEU 18 -6.303 14.811 3.419
113 HG LEU 18 HG LEU 18 -8.185 16.317 3.614
114 1HD1 LEU 18 1HD1 LEU 18 -7.232 15.196 6.258
115 2HD1 LEU 18 2HD1 LEU 18 -8.871 15.833 5.981
116 3HD1 LEU 18 3HD1 LEU 18 -8.295 14.425 5.057
117 1HD2 LEU 18 1HD2 LEU 18 -6.261 18.007 4.988
118 2HD2 LEU 18 2HD2 LEU 18 -7.819 18.421 4.234
119 3HD2 LEU 18 3HD2 LEU 18 -7.772 17.832 5.913
120 H CYS 19 H CYS 19 -6.589 13.638 4.565
121 HA CYS 19 HA CYS 19 -5.275 12.013 6.549
122 2HB CYS 19 2HB CYS 19 -7.453 10.871 4.903
123 H GLY 20 H GLY 20 -3.959 12.863 3.927
124 1HA GLY 20 1HA GLY 20 -3.361 10.142 2.942
125 2HA GLY 20 2HA GLY 20 -3.634 11.478 1.842
126 H ALA 21 H ALA 21 -2.207 12.596 4.760
127 HA ALA 21 HA ALA 21 0.357 12.825 3.386
128 1HB ALA 21 1HB ALA 21 -1.262 14.569 4.933
129 2HB ALA 21 2HB ALA 21 0.190 14.231 5.907
130 3HB ALA 21 3HB ALA 21 0.355 14.892 4.263
131 H GLU 22 H GLU 22 -1.293 11.027 5.853
132 HA GLU 22 HA GLU 22 1.118 10.487 7.307
133 2HB GLU 22 2HB GLU 22 -1.612 9.166 7.606
134 2HG GLU 22 2HG GLU 22 0.953 8.929 8.978
135 H LEU 23 H LEU 23 -1.389 8.306 5.815
136 HA LEU 23 HA LEU 23 -0.018 6.021 5.713
137 2HB LEU 23 2HB LEU 23 -2.136 5.827 4.932
138 HG LEU 23 HG LEU 23 -2.904 7.130 2.803
139 1HD1 LEU 23 1HD1 LEU 23 -3.199 7.552 5.617
140 2HD1 LEU 23 2HD1 LEU 23 -3.191 9.131 4.796
141 3HD1 LEU 23 3HD1 LEU 23 -4.354 7.877 4.302
142 1HD2 LEU 23 1HD2 LEU 23 -0.578 8.185 2.583
143 2HD2 LEU 23 2HD2 LEU 23 -1.993 9.250 2.400
144 3HD2 LEU 23 3HD2 LEU 23 -1.071 9.248 3.923
145 H VAL 24 H VAL 24 0.631 8.944 3.810
146 HA VAL 24 HA VAL 24 2.393 7.616 1.997
147 HB VAL 24 HB VAL 24 1.370 9.499 1.130
148 1HG1 VAL 24 1HG1 VAL 24 0.494 10.407 3.234
149 2HG1 VAL 24 2HG1 VAL 24 2.110 11.030 3.648
150 3HG1 VAL 24 3HG1 VAL 24 1.236 11.687 2.243
151 1HG2 VAL 24 1HG2 VAL 24 4.051 9.418 1.144
152 2HG2 VAL 24 2HG2 VAL 24 3.131 10.713 0.340
153 3HG2 VAL 24 3HG2 VAL 24 3.820 10.983 1.958
154 H ASP 25 H ASP 25 2.747 9.728 4.919
155 HA ASP 25 HA ASP 25 5.484 9.821 4.894
156 2HB ASP 25 2HB ASP 25 4.322 9.587 7.600
157 H ALA 26 H ALA 26 3.163 7.338 6.008
158 HA ALA 26 HA ALA 26 4.871 5.844 7.628
159 1HB ALA 26 1HB ALA 26 2.259 5.779 7.117
160 2HB ALA 26 2HB ALA 26 2.754 4.532 5.948
161 3HB ALA 26 3HB ALA 26 3.124 4.328 7.677
162 H LEU 27 H LEU 27 3.972 5.408 4.130
163 HA LEU 27 HA LEU 27 5.890 3.360 3.764
164 2HB LEU 27 2HB LEU 27 5.266 3.450 1.467
165 HG LEU 27 HG LEU 27 3.209 3.403 3.491
166 1HD1 LEU 27 1HD1 LEU 27 2.580 5.434 1.890
167 2HD1 LEU 27 2HD1 LEU 27 1.972 4.107 0.873
168 3HD1 LEU 27 3HD1 LEU 27 1.357 4.311 2.531
169 1HD2 LEU 27 1HD2 LEU 27 3.606 2.088 0.798
170 2HD2 LEU 27 2HD2 LEU 27 3.872 1.401 2.419
171 3HD2 LEU 27 3HD2 LEU 27 2.217 1.742 1.857
172 H GLN 28 H GLN 28 5.884 6.912 3.499
173 HA GLN 28 HA GLN 28 8.321 6.987 2.072
174 2HB GLN 28 2HB GLN 28 7.779 9.430 3.557
175 2HG GLN 28 2HG GLN 28 6.991 9.208 0.694
176 1HE2 GLN 28 2HE2 GLN 28 7.473 11.059 -0.364
177 2HE2 GLN 28 1HE2 GLN 28 8.179 12.462 0.367
178 H PHE 29 H PHE 29 7.603 6.027 5.202
179 HA PHE 29 HA PHE 29 9.945 7.245 6.408
180 2HB PHE 29 2HB PHE 29 7.455 5.733 7.191
181 HD1 PHE 29 HD1 PHE 29 10.973 5.915 8.295
182 HD2 PHE 29 HD2 PHE 29 7.086 4.447 9.154
183 HE1 PHE 29 HE1 PHE 29 11.926 4.439 10.089
184 HE2 PHE 29 HE2 PHE 29 8.038 2.972 10.948
185 HZ PHE 29 HZ PHE 29 10.447 2.986 11.393
186 H VAL 30 H VAL 30 8.575 3.892 6.016
187 HA VAL 30 HA VAL 30 11.310 2.884 6.250
188 HB VAL 30 HB VAL 30 8.570 1.782 6.726
189 1HG1 VAL 30 1HG1 VAL 30 9.575 0.156 5.201
190 2HG1 VAL 30 2HG1 VAL 30 11.038 0.086 6.213
191 3HG1 VAL 30 3HG1 VAL 30 9.484 -0.505 6.850
192 1HG2 VAL 30 1HG2 VAL 30 10.697 2.675 8.334
193 2HG2 VAL 30 2HG2 VAL 30 9.219 1.834 8.862
194 3HG2 VAL 30 3HG2 VAL 30 10.691 0.902 8.497
195 H CYS 31 H CYS 31 8.558 3.289 4.052
196 HA CYS 31 HA CYS 31 9.525 1.428 2.138
197 2HB CYS 31 2HB CYS 31 7.784 3.497 1.072
198 H GLY 32 H GLY 32 10.088 4.804 3.020
199 1HA GLY 32 1HA GLY 32 12.278 5.614 2.211
200 2HA GLY 32 2HA GLY 32 11.768 5.137 0.605
201 H ASP 33 H ASP 33 12.122 7.777 2.583
202 HA ASP 33 HA ASP 33 9.824 9.183 2.482
203 2HB ASP 33 2HB ASP 33 11.490 11.219 2.150
204 H ARG 34 H ARG 34 10.355 7.605 -0.059
205 HA ARG 34 HA ARG 34 10.544 9.770 -1.974
206 2HB ARG 34 2HB ARG 34 12.007 7.754 -2.296
207 2HG ARG 34 2HG ARG 34 9.393 6.283 -2.862
208 2HD ARG 34 2HD ARG 34 11.535 5.583 -4.090
209 HE ARG 34 HE ARG 34 12.571 5.552 -1.374
210 1HH1 ARG 34 1HH1 ARG 34 12.813 3.962 -4.504
211 2HH1 ARG 34 2HH1 ARG 34 14.431 3.404 -4.239
212 1HH2 ARG 34 1HH2 ARG 34 14.706 4.816 -1.023
213 2HH2 ARG 34 2HH2 ARG 34 15.515 3.893 -2.246
214 H GLY 35 H GLY 35 8.272 7.836 -0.283
215 1HA GLY 35 1HA GLY 35 6.002 7.894 -0.396
216 2HA GLY 35 2HA GLY 35 6.087 8.845 -1.865
217 H PHE 36 H PHE 36 4.857 6.047 -0.780
218 HA PHE 36 HA PHE 36 5.627 4.514 -3.157
219 2HB PHE 36 2HB PHE 36 4.631 3.928 -0.336
220 HD1 PHE 36 HD1 PHE 36 2.397 3.034 -0.736
221 HD2 PHE 36 HD2 PHE 36 5.791 1.355 -2.650
222 HE1 PHE 36 HE1 PHE 36 1.050 1.006 -1.343
223 HE2 PHE 36 HE2 PHE 36 4.444 -0.675 -3.258
224 HZ PHE 36 HZ PHE 36 2.089 -0.825 -2.597
225 H TYR 37 H TYR 37 3.882 3.258 -4.243
226 HA TYR 37 HA TYR 37 1.638 4.923 -4.724
227 2HB TYR 37 2HB TYR 37 1.225 3.214 -6.404
228 HD1 TYR 37 HD1 TYR 37 3.393 5.274 -6.303
229 HD2 TYR 37 HD2 TYR 37 3.597 1.025 -6.759
230 HE1 TYR 37 HE1 TYR 37 5.601 5.506 -7.540
231 HE2 TYR 37 HE2 TYR 37 5.806 1.271 -7.995
232 HH TYR 37 HH TYR 37 7.659 3.904 -7.863
233 H PHE 38 H PHE 38 0.118 5.173 -3.126
234 HA PHE 38 HA PHE 38 -0.532 3.025 -1.377
235 2HB PHE 38 2HB PHE 38 -2.043 4.721 -0.444
236 HD1 PHE 38 HD1 PHE 38 1.109 4.376 -0.777
237 HD2 PHE 38 HD2 PHE 38 -1.561 7.675 -0.835
238 HE1 PHE 38 HE1 PHE 38 2.961 5.890 -0.015
239 HE2 PHE 38 HE2 PHE 38 0.291 9.187 -0.074
240 HZ PHE 38 HZ PHE 38 2.530 8.277 0.327
241 H ASN 39 H ASN 39 -3.408 4.644 -2.155
242 HA ASN 39 HA ASN 39 -4.538 2.254 -3.126
243 2HB ASN 39 2HB ASN 39 -6.125 3.485 -1.929
244 1HD2 ASN 39 2HD2 ASN 39 -4.048 5.526 -3.878
245 2HD2 ASN 39 1HD2 ASN 39 -4.200 6.983 -2.954
246 H LYS 40 H LYS 40 -6.312 2.896 -5.141
247 HA LYS 40 HA LYS 40 -4.521 3.685 -7.317
248 2HB LYS 40 2HB LYS 40 -6.955 2.540 -8.272
249 2HG LYS 40 2HG LYS 40 -4.483 0.877 -8.095
250 2HD LYS 40 2HD LYS 40 -5.505 1.883 -10.700
251 2HE LYS 40 2HE LYS 40 -4.467 -0.614 -9.464
252 1HZ LYS 40 1HZ LYS 40 -6.879 -0.958 -10.317
253 2HZ LYS 40 2HZ LYS 40 -6.165 -0.971 -11.785
254 3HZ LYS 40 3HZ LYS 40 -5.717 -2.056 -10.650
255 HA PRO 41 HA PRO 41 -7.000 7.075 -8.362
256 2HB PRO 41 2HB PRO 41 -5.979 7.429 -10.396
257 2HG PRO 41 2HG PRO 41 -5.098 5.535 -11.374
258 2HD PRO 41 2HD PRO 41 -4.782 4.224 -9.512
259 H THR 42 H THR 42 -8.666 6.236 -6.861
260 HA THR 42 HA THR 42 -10.813 4.787 -7.503
261 HB THR 42 HB THR 42 -10.716 7.457 -6.001
262 HG1 THR 42 HG1 THR 42 -10.424 4.597 -5.418
263 1HG2 THR 42 1HG2 THR 42 -13.051 6.202 -6.628
264 2HG2 THR 42 2HG2 THR 42 -12.551 5.194 -5.249
265 3HG2 THR 42 3HG2 THR 42 -12.776 6.946 -5.034
266 H GLY 43 H GLY 43 -11.618 8.252 -7.540
267 1HA GLY 43 1HA GLY 43 -13.671 8.244 -9.223
268 2HA GLY 43 2HA GLY 43 -12.493 9.541 -9.202
269 H TYR 44 H TYR 44 -13.554 6.568 -10.846
270 HA TYR 44 HA TYR 44 -12.339 7.498 -13.278
271 2HB TYR 44 2HB TYR 44 -11.689 4.670 -12.356
272 HD1 TYR 44 HD1 TYR 44 -12.007 5.485 -15.148
273 HD2 TYR 44 HD2 TYR 44 -8.620 5.884 -12.566
274 HE1 TYR 44 HE1 TYR 44 -10.461 5.484 -17.166
275 HE2 TYR 44 HE2 TYR 44 -7.085 5.883 -14.593
276 HH TYR 44 HH TYR 44 -7.095 5.107 -16.857
277 H GLY 45 H GLY 45 -13.592 6.910 -15.006
278 1HA GLY 45 1HA GLY 45 -16.095 5.981 -14.856
279 2HA GLY 45 2HA GLY 45 -15.060 5.697 -16.242
280 H SER 46 H SER 46 -13.129 4.032 -14.560
281 HA SER 46 HA SER 46 -14.655 1.605 -14.821
282 2HB SER 46 2HB SER 46 -11.701 1.931 -14.145
283 HG SER 46 HG SER 46 -13.290 -0.230 -15.230
284 H SER 47 H SER 47 -16.000 2.277 -12.856
285 HA SER 47 HA SER 47 -14.684 2.354 -10.360
286 2HB SER 47 2HB SER 47 -17.639 1.788 -10.752
287 HG SER 47 HG SER 47 -16.327 2.155 -8.590
288 H SER 48 H SER 48 -13.442 0.259 -10.737
289 HA SER 48 HA SER 48 -15.157 -2.034 -10.194
290 2HB SER 48 2HB SER 48 -13.426 -3.433 -11.172
291 HG SER 48 HG SER 48 -14.521 -2.668 -12.912
292 H ARG 49 H ARG 49 -13.930 -3.806 -8.829
293 HA ARG 49 HA ARG 49 -13.612 -3.024 -6.350
294 2HB ARG 49 2HB ARG 49 -11.652 -4.988 -6.440
295 2HG ARG 49 2HG ARG 49 -14.054 -4.915 -5.373
296 2HD ARG 49 2HD ARG 49 -15.290 -6.837 -6.930
297 HE ARG 49 HE ARG 49 -15.890 -4.213 -6.140
298 1HH1 ARG 49 1HH1 ARG 49 -16.517 -6.216 -8.965
299 2HH1 ARG 49 2HH1 ARG 49 -18.004 -5.419 -9.358
300 1HH2 ARG 49 1HH2 ARG 49 -17.852 -3.163 -6.658
301 2HH2 ARG 49 2HH2 ARG 49 -18.769 -3.672 -8.036
302 H ARG 50 H ARG 50 -12.444 -1.264 -5.601
303 HA ARG 50 HA ARG 50 -10.442 0.012 -6.668
304 2HB ARG 50 2HB ARG 50 -9.674 0.622 -4.345
305 2HG ARG 50 2HG ARG 50 -12.701 0.262 -4.413
306 2HD ARG 50 2HD ARG 50 -11.663 1.239 -2.330
307 HE ARG 50 HE ARG 50 -9.902 2.541 -3.981
308 1HH1 ARG 50 1HH1 ARG 50 -12.372 3.714 -1.766
309 2HH1 ARG 50 2HH1 ARG 50 -11.537 5.192 -1.416
310 1HH2 ARG 50 1HH2 ARG 50 -8.801 4.489 -3.520
311 2HH2 ARG 50 2HH2 ARG 50 -9.492 5.634 -2.421
312 H ALA 51 H ALA 51 -8.516 -0.642 -7.574
313 HA ALA 51 HA ALA 51 -7.348 -3.040 -7.432
314 1HB ALA 51 1HB ALA 51 -6.714 -0.509 -8.431
315 2HB ALA 51 2HB ALA 51 -5.333 -0.915 -7.384
316 3HB ALA 51 3HB ALA 51 -5.799 -2.010 -8.707
317 H CYS 52 H CYS 52 -5.799 -0.342 -5.581
318 HA CYS 52 HA CYS 52 -4.627 -2.177 -3.792
319 2HB CYS 52 2HB CYS 52 -4.492 0.350 -2.595
320 HG CYS 52 HG CYS 52 -2.681 -1.199 -4.898
321 H GLN 53 H GLN 53 -6.957 -3.184 -3.448
322 HA GLN 53 HA GLN 53 -9.006 -2.084 -2.227
323 2HB GLN 53 2HB GLN 53 -7.667 -4.751 -1.917
324 2HG GLN 53 2HG GLN 53 -9.582 -3.559 0.049
325 1HE2 GLN 53 2HE2 GLN 53 -11.636 -4.075 -0.133
326 2HE2 GLN 53 1HE2 GLN 53 -12.289 -5.653 -0.423
327 H THR 54 H THR 54 -5.809 -2.671 -0.749
328 HA THR 54 HA THR 54 -6.784 -1.813 1.857
329 HB THR 54 HB THR 54 -4.306 -3.112 0.705
330 HG1 THR 54 HG1 THR 54 -4.886 -4.425 2.646
331 1HG2 THR 54 1HG2 THR 54 -4.479 -1.425 3.229
332 2HG2 THR 54 2HG2 THR 54 -3.472 -2.892 3.206
333 3HG2 THR 54 3HG2 THR 54 -3.132 -1.560 2.076
334 H GLY 55 H GLY 55 -7.071 0.108 -0.257
335 1HA GLY 55 1HA GLY 55 -5.396 1.964 -0.891
336 2HA GLY 55 2HA GLY 55 -6.871 2.412 -0.057
337 H ILE 56 H ILE 56 -3.366 1.940 0.229
338 HA ILE 56 HA ILE 56 -2.960 2.103 2.909
339 HB ILE 56 HB ILE 56 -1.472 2.507 0.506
340 2HG1 ILE 56 2HG1 ILE 56 -0.308 2.079 3.252
341 1HG2 ILE 56 1HG2 ILE 56 -1.545 4.918 1.411
342 2HG2 ILE 56 2HG2 ILE 56 -0.474 4.316 2.698
343 3HG2 ILE 56 3HG2 ILE 56 0.037 4.215 0.996
344 1HD1 ILE 56 1HD1 ILE 56 -2.227 0.358 1.714
345 2HD1 ILE 56 2HD1 ILE 56 -0.812 -0.444 2.437
346 3HD1 ILE 56 3HD1 ILE 56 -1.948 0.459 3.469
347 H VAL 57 H VAL 57 -4.682 4.328 0.976
348 HA VAL 57 HA VAL 57 -4.253 6.437 2.977
349 HB VAL 57 HB VAL 57 -5.611 7.273 0.564
350 1HG1 VAL 57 1HG1 VAL 57 -4.151 8.470 2.469
351 2HG1 VAL 57 2HG1 VAL 57 -2.873 8.229 1.254
352 3HG1 VAL 57 3HG1 VAL 57 -4.339 9.147 0.834
353 1HG2 VAL 57 1HG2 VAL 57 -4.242 5.355 -0.364
354 2HG2 VAL 57 2HG2 VAL 57 -3.906 6.953 -1.075
355 3HG2 VAL 57 3HG2 VAL 57 -2.788 6.258 0.125
356 H ASP 58 H ASP 58 -6.627 4.529 1.065
357 HA ASP 58 HA ASP 58 -8.786 5.780 2.468
358 2HB ASP 58 2HB ASP 58 -10.012 3.776 1.159
359 H GLU 59 H GLU 59 -6.831 2.793 2.455
360 HA GLU 59 HA GLU 59 -8.620 1.519 4.317
361 2HB GLU 59 2HB GLU 59 -6.003 0.583 3.061
362 2HG GLU 59 2HG GLU 59 -7.357 -0.423 5.352
363 H CYS 60 H CYS 60 -5.691 3.446 4.251
364 HA CYS 60 HA CYS 60 -4.713 2.537 6.765
365 2HB CYS 60 2HB CYS 60 -4.029 5.029 5.192
366 H CYS 61 H CYS 61 -6.490 5.436 5.491
367 HA CYS 61 HA CYS 61 -6.727 6.662 8.007
368 2HB CYS 61 2HB CYS 61 -8.802 7.689 6.568
369 H PHE 62 H PHE 62 -8.619 4.270 6.129
370 HA PHE 62 HA PHE 62 -10.842 4.384 7.942
371 2HB PHE 62 2HB PHE 62 -9.958 2.487 5.685
372 HD1 PHE 62 HD1 PHE 62 -13.331 3.794 6.246
373 HD2 PHE 62 HD2 PHE 62 -10.780 0.429 6.664
374 HE1 PHE 62 HE1 PHE 62 -15.328 2.334 6.672
375 HE2 PHE 62 HE2 PHE 62 -12.777 -1.031 7.091
376 HZ PHE 62 HZ PHE 62 -15.026 -0.061 7.090
377 H ARG 63 H ARG 63 -7.969 2.313 7.341
378 HA ARG 63 HA ARG 63 -8.824 0.709 9.610
379 2HB ARG 63 2HB ARG 63 -6.537 -0.122 7.817
380 2HG ARG 63 2HG ARG 63 -8.853 -1.622 9.133
381 2HD ARG 63 2HD ARG 63 -6.760 -2.400 7.173
382 HE ARG 63 HE ARG 63 -6.810 -3.695 9.819
383 1HH1 ARG 63 1HH1 ARG 63 -6.024 -4.038 6.406
384 2HH1 ARG 63 2HH1 ARG 63 -4.921 -5.349 6.660
385 1HH2 ARG 63 1HH2 ARG 63 -5.355 -5.427 10.155
386 2HH2 ARG 63 2HH2 ARG 63 -4.538 -6.145 8.807
387 H SER 64 H SER 64 -7.849 1.366 11.502
388 HA SER 64 HA SER 64 -6.267 3.018 12.301
389 2HB SER 64 2HB SER 64 -4.669 1.102 13.387
390 HG SER 64 HG SER 64 -6.018 1.294 15.059
391 H CYS 65 H CYS 65 -4.651 4.255 11.422
392 HA CYS 65 HA CYS 65 -3.025 3.236 9.349
393 2HB CYS 65 2HB CYS 65 -1.806 5.553 10.053
394 H ASP 66 H ASP 66 -1.781 1.468 10.128
395 HA ASP 66 HA ASP 66 0.028 2.164 12.307
396 2HB ASP 66 2HB ASP 66 -0.411 -0.696 11.479
397 H LEU 67 H LEU 67 2.126 2.475 11.551
398 HA LEU 67 HA LEU 67 3.084 2.409 9.129
399 2HB LEU 67 2HB LEU 67 4.194 2.142 11.753
400 HG LEU 67 HG LEU 67 5.157 0.058 10.155
401 1HD1 LEU 67 1HD1 LEU 67 6.646 2.529 9.614
402 2HD1 LEU 67 2HD1 LEU 67 7.661 1.177 10.166
403 3HD1 LEU 67 3HD1 LEU 67 6.620 0.981 8.736
404 1HD2 LEU 67 1HD2 LEU 67 5.258 0.703 12.732
405 2HD2 LEU 67 2HD2 LEU 67 6.372 -0.479 12.005
406 3HD2 LEU 67 3HD2 LEU 67 6.910 1.195 12.283
407 H ARG 68 H ARG 68 2.416 -0.529 11.061
408 HA ARG 68 HA ARG 68 3.686 -2.411 9.688
409 2HB ARG 68 2HB ARG 68 0.738 -2.778 10.359
410 2HG ARG 68 2HG ARG 68 1.884 -4.898 11.437
411 2HD ARG 68 2HD ARG 68 0.729 -4.378 8.903
412 HE ARG 68 HE ARG 68 2.550 -4.820 7.490
413 1HH1 ARG 68 1HH1 ARG 68 2.557 -7.113 10.158
414 2HH1 ARG 68 2HH1 ARG 68 3.815 -8.093 9.480
415 1HH2 ARG 68 1HH2 ARG 68 4.208 -6.112 6.595
416 2HH2 ARG 68 2HH2 ARG 68 4.759 -7.520 7.439
417 H ARG 69 H ARG 69 0.975 -0.421 8.575
418 HA ARG 69 HA ARG 69 0.222 -2.104 6.466
419 2HB ARG 69 2HB ARG 69 -0.332 0.707 5.913
420 2HG ARG 69 2HG ARG 69 -1.778 -1.244 5.285
421 2HD ARG 69 2HD ARG 69 -3.221 -1.542 7.755
422 HE ARG 69 HE ARG 69 -2.356 -3.200 5.689
423 1HH1 ARG 69 1HH1 ARG 69 -2.344 -3.397 9.202
424 2HH1 ARG 69 2HH1 ARG 69 -2.447 -5.125 9.233
425 1HH2 ARG 69 1HH2 ARG 69 -2.493 -5.481 5.729
426 2HH2 ARG 69 2HH2 ARG 69 -2.533 -6.318 7.244
427 H LEU 70 H LEU 70 2.086 1.027 6.594
428 HA LEU 70 HA LEU 70 2.728 1.346 4.008
429 2HB LEU 70 2HB LEU 70 3.361 2.674 6.125
430 HG LEU 70 HG LEU 70 5.081 0.696 6.740
431 1HD1 LEU 70 1HD1 LEU 70 6.247 1.531 4.443
432 2HD1 LEU 70 2HD1 LEU 70 7.095 2.553 5.628
433 3HD1 LEU 70 3HD1 LEU 70 7.123 0.781 5.798
434 1HD2 LEU 70 1HD2 LEU 70 4.885 3.567 7.353
435 2HD2 LEU 70 2HD2 LEU 70 5.001 2.158 8.436
436 3HD2 LEU 70 3HD2 LEU 70 6.472 2.842 7.704
437 H GLU 71 H GLU 71 4.061 -1.085 6.272
438 HA GLU 71 HA GLU 71 6.048 -1.908 4.428
439 2HB GLU 71 2HB GLU 71 5.632 -3.992 6.287
440 2HG GLU 71 2HG GLU 71 7.472 -2.280 7.489
441 H MET 72 H MET 72 2.693 -2.815 5.223
442 HA MET 72 HA MET 72 2.679 -5.297 4.007
443 2HB MET 72 2HB MET 72 0.107 -4.206 3.624
444 2HG MET 72 2HG MET 72 -0.101 -5.036 6.186
445 1HE MET 72 1HE MET 72 1.693 -7.668 5.621
446 2HE MET 72 2HE MET 72 0.252 -8.706 5.743
447 3HE MET 72 3HE MET 72 1.185 -8.654 4.228
448 H TYR 73 H TYR 73 1.750 -2.035 2.702
449 HA TYR 73 HA TYR 73 1.395 -3.141 0.065
450 2HB TYR 73 2HB TYR 73 1.505 -0.299 0.023
451 HD1 TYR 73 HD1 TYR 73 -0.418 -3.352 0.455
452 HD2 TYR 73 HD2 TYR 73 -0.704 0.853 -0.281
453 HE1 TYR 73 HE1 TYR 73 -2.796 -3.654 -0.389
454 HE2 TYR 73 HE2 TYR 73 -3.083 0.536 -1.122
455 HH TYR 73 HH TYR 73 -4.332 -2.488 -1.895
456 H CYS 74 H CYS 74 4.011 -1.873 1.978
457 HA CYS 74 HA CYS 74 5.562 -0.467 0.338
458 2HB CYS 74 2HB CYS 74 7.332 -2.358 1.427
459 H ALA 75 H ALA 75 4.181 -1.827 -1.584
460 HA ALA 75 HA ALA 75 5.287 -4.198 -2.515
461 1HB ALA 75 1HB ALA 75 3.187 -2.602 -3.187
462 2HB ALA 75 2HB ALA 75 4.311 -2.217 -4.512
463 3HB ALA 75 3HB ALA 75 3.810 -3.902 -4.231
464 HA PRO 76 HA PRO 76 9.027 -2.977 -4.306
465 2HB PRO 76 2HB PRO 76 9.659 -5.157 -4.690
466 2HG PRO 76 2HG PRO 76 7.910 -6.652 -4.848
467 2HD PRO 76 2HD PRO 76 6.301 -5.528 -3.650
468 H LEU 77 H LEU 77 7.613 -0.952 -4.826
469 HA LEU 77 HA LEU 77 6.586 -0.387 -7.201
470 2HB LEU 77 2HB LEU 77 6.658 1.269 -5.545
471 HG LEU 77 HG LEU 77 9.373 0.611 -5.141
472 1HD1 LEU 77 1HD1 LEU 77 9.390 2.663 -6.959
473 2HD1 LEU 77 2HD1 LEU 77 9.488 3.532 -5.408
474 3HD1 LEU 77 3HD1 LEU 77 10.695 2.286 -5.808
475 1HD2 LEU 77 1HD2 LEU 77 7.614 1.178 -3.461
476 2HD2 LEU 77 2HD2 LEU 77 9.175 1.990 -3.192
477 3HD2 LEU 77 3HD2 LEU 77 7.813 2.891 -3.900
478 H LYS 78 H LYS 78 7.246 0.206 -9.312
479 HA LYS 78 HA LYS 78 9.425 -1.227 -10.295
480 2HB LYS 78 2HB LYS 78 8.097 1.107 -11.683
481 2HG LYS 78 2HG LYS 78 8.323 -0.784 -13.546
482 2HD LYS 78 2HD LYS 78 10.608 0.934 -12.481
483 2HE LYS 78 2HE LYS 78 10.392 -0.372 -15.234
484 1HZ LYS 78 1HZ LYS 78 11.760 1.771 -14.471
485 2HZ LYS 78 2HZ LYS 78 12.867 0.604 -14.182
486 3HZ LYS 78 3HZ LYS 78 12.231 0.773 -15.676
487 HA PRO 79 HA PRO 79 12.486 1.674 -9.089
488 2HB PRO 79 2HB PRO 79 13.738 0.083 -7.992
489 2HG PRO 79 2HG PRO 79 13.154 -2.098 -8.465
490 2HD PRO 79 2HD PRO 79 10.972 -1.801 -9.125
491 H ALA 80 H ALA 80 14.207 2.940 -10.027
492 HA ALA 80 HA ALA 80 14.820 2.420 -12.763
493 1HB ALA 80 1HB ALA 80 12.418 3.492 -12.635
494 2HB ALA 80 2HB ALA 80 13.317 4.994 -12.311
495 3HB ALA 80 3HB ALA 80 13.597 4.098 -13.823
496 H LYS 81 H LYS 81 14.536 5.023 -10.244
497 HA LYS 81 HA LYS 81 17.259 5.193 -9.796
498 2HB LYS 81 2HB LYS 81 16.267 7.097 -11.928
499 2HG LYS 81 2HG LYS 81 18.475 7.354 -9.897
500 2HD LYS 81 2HD LYS 81 18.688 8.160 -12.833
501 2HE LYS 81 2HE LYS 81 19.998 9.256 -10.345
502 1HZ LYS 81 1HZ LYS 81 21.743 8.220 -11.693
503 2HZ LYS 81 2HZ LYS 81 21.307 9.138 -12.972
504 3HZ LYS 81 3HZ LYS 81 21.891 9.845 -11.620
505 H SER 82 H SER 82 14.769 5.109 -8.374
506 HA SER 82 HA SER 82 13.473 7.133 -7.540
507 2HB SER 82 2HB SER 82 15.125 5.502 -5.562
508 HG SER 82 HG SER 82 13.967 6.871 -4.297
509 H ALA 83 H ALA 83 16.840 6.640 -6.227
510 HA ALA 83 HA ALA 83 16.905 9.495 -5.600
511 1HB ALA 83 1HB ALA 83 17.790 7.101 -4.299
512 2HB ALA 83 2HB ALA 83 19.228 8.070 -4.702
513 3HB ALA 83 3HB ALA 83 17.919 8.782 -3.728
Start of MODEL 9
1 H MET 1 H MET 1 -4.377 22.508 -4.163
2 HA MET 1 HA MET 1 -6.318 21.651 -2.429
3 2HB MET 1 2HB MET 1 -5.750 24.010 -2.601
4 2HG MET 1 2HG MET 1 -5.640 23.487 -5.386
5 1HE MET 1 1HE MET 1 -6.377 27.011 -5.187
6 2HE MET 1 2HE MET 1 -6.158 26.339 -6.820
7 3HE MET 1 3HE MET 1 -7.689 27.136 -6.384
8 H PHE 2 H PHE 2 -6.257 21.715 -5.990
9 HA PHE 2 HA PHE 2 -7.660 20.976 -7.520
10 2HB PHE 2 2HB PHE 2 -9.438 19.236 -6.295
11 HD1 PHE 2 HD1 PHE 2 -7.699 19.370 -8.710
12 HD2 PHE 2 HD2 PHE 2 -7.199 17.275 -5.054
13 HE1 PHE 2 HE1 PHE 2 -6.285 17.660 -9.883
14 HE2 PHE 2 HE2 PHE 2 -5.784 15.565 -6.226
15 HZ PHE 2 HZ PHE 2 -5.344 15.778 -8.627
16 HA PRO 3 HA PRO 3 -11.386 23.177 -7.343
17 2HB PRO 3 2HB PRO 3 -11.681 23.070 -9.624
18 2HG PRO 3 2HG PRO 3 -10.641 21.285 -10.648
19 2HD PRO 3 2HD PRO 3 -8.977 20.851 -9.122
20 H ALA 4 H ALA 4 -12.954 20.132 -8.071
21 HA ALA 4 HA ALA 4 -15.124 20.164 -6.741
22 1HB ALA 4 1HB ALA 4 -12.990 18.087 -6.877
23 2HB ALA 4 2HB ALA 4 -14.291 17.803 -5.696
24 3HB ALA 4 3HB ALA 4 -14.685 18.025 -7.418
25 H MET 5 H MET 5 -12.632 18.709 -4.611
26 HA MET 5 HA MET 5 -13.797 20.230 -2.447
27 2HB MET 5 2HB MET 5 -11.726 18.428 -1.555
28 2HG MET 5 2HG MET 5 -14.570 17.489 -1.586
29 1HE MET 5 1HE MET 5 -12.888 15.663 -1.391
30 2HE MET 5 2HE MET 5 -12.124 15.148 0.132
31 3HE MET 5 3HE MET 5 -13.889 15.041 -0.058
32 HA PRO 6 HA PRO 6 -10.306 22.766 -1.981
33 2HB PRO 6 2HB PRO 6 -11.411 24.165 -0.525
34 2HG PRO 6 2HG PRO 6 -13.193 23.198 0.575
35 2HD PRO 6 2HD PRO 6 -13.716 21.513 -0.898
36 H LEU 7 H LEU 7 -10.344 19.697 -0.933
37 HA LEU 7 HA LEU 7 -7.681 19.930 0.260
38 2HB LEU 7 2HB LEU 7 -8.123 18.098 1.491
39 HG LEU 7 HG LEU 7 -11.016 18.657 0.789
40 1HD1 LEU 7 1HD1 LEU 7 -9.675 17.374 3.180
41 2HD1 LEU 7 2HD1 LEU 7 -11.374 17.904 3.160
42 3HD1 LEU 7 3HD1 LEU 7 -10.824 16.637 2.037
43 1HD2 LEU 7 1HD2 LEU 7 -9.312 20.590 1.631
44 2HD2 LEU 7 2HD2 LEU 7 -11.048 20.541 2.021
45 3HD2 LEU 7 3HD2 LEU 7 -9.856 19.929 3.192
46 H SER 8 H SER 8 -6.106 18.134 -0.380
47 HA SER 8 HA SER 8 -6.521 17.435 -3.174
48 2HB SER 8 2HB SER 8 -3.710 17.864 -2.676
49 HG SER 8 HG SER 8 -4.971 19.827 -4.172
50 H SER 9 H SER 9 -7.019 15.819 -0.828
51 HA SER 9 HA SER 9 -5.529 13.577 -1.525
52 2HB SER 9 2HB SER 9 -4.261 13.210 0.563
53 HG SER 9 HG SER 9 -3.603 15.875 -0.312
54 H LEU 10 H LEU 10 -5.742 12.163 1.015
55 HA LEU 10 HA LEU 10 -8.390 11.388 0.932
56 2HB LEU 10 2HB LEU 10 -6.510 11.121 3.277
57 HG LEU 10 HG LEU 10 -7.617 8.708 3.072
58 1HD1 LEU 10 1HD1 LEU 10 -7.963 11.003 4.763
59 2HD1 LEU 10 2HD1 LEU 10 -9.506 10.129 4.619
60 3HD1 LEU 10 3HD1 LEU 10 -8.047 9.273 5.172
61 1HD2 LEU 10 1HD2 LEU 10 -9.059 9.260 1.185
62 2HD2 LEU 10 2HD2 LEU 10 -10.022 8.849 2.624
63 3HD2 LEU 10 3HD2 LEU 10 -9.833 10.550 2.136
64 H PHE 11 H PHE 11 -6.940 14.222 2.309
65 HA PHE 11 HA PHE 11 -9.340 15.401 2.920
66 2HB PHE 11 2HB PHE 11 -7.891 14.556 5.469
67 HD1 PHE 11 HD1 PHE 11 -8.713 16.617 6.484
68 HD2 PHE 11 HD2 PHE 11 -11.391 13.828 4.735
69 HE1 PHE 11 HE1 PHE 11 -10.636 17.735 7.647
70 HE2 PHE 11 HE2 PHE 11 -13.314 14.946 5.898
71 HZ PHE 11 HZ PHE 11 -12.914 16.886 7.339
72 H VAL 12 H VAL 12 -6.296 15.549 2.112
73 HA VAL 12 HA VAL 12 -4.964 17.244 3.824
74 HB VAL 12 HB VAL 12 -4.899 16.591 0.928
75 1HG1 VAL 12 1HG1 VAL 12 -3.922 19.167 2.060
76 2HG1 VAL 12 2HG1 VAL 12 -2.821 18.298 0.964
77 3HG1 VAL 12 3HG1 VAL 12 -4.447 18.761 0.408
78 1HG2 VAL 12 1HG2 VAL 12 -3.713 15.292 2.725
79 2HG2 VAL 12 2HG2 VAL 12 -2.657 15.891 1.422
80 3HG2 VAL 12 3HG2 VAL 12 -2.685 16.719 2.998
81 H ASN 13 H ASN 13 -6.495 18.701 4.784
82 HA ASN 13 HA ASN 13 -7.934 20.454 3.078
83 2HB ASN 13 2HB ASN 13 -7.450 20.875 6.058
84 1HD2 ASN 13 2HD2 ASN 13 -7.809 23.058 4.996
85 2HD2 ASN 13 1HD2 ASN 13 -9.445 23.608 4.849
86 H GLY 14 H GLY 14 -4.717 20.227 4.242
87 1HA GLY 14 1HA GLY 14 -4.020 22.824 3.264
88 2HA GLY 14 2HA GLY 14 -3.947 22.741 5.013
89 HA PRO 15 HA PRO 15 -0.094 20.783 4.652
90 2HB PRO 15 2HB PRO 15 0.435 21.239 6.846
91 2HG PRO 15 2HG PRO 15 -1.383 21.590 8.222
92 2HD PRO 15 2HD PRO 15 -2.947 22.250 6.671
93 H ARG 16 H ARG 16 1.147 18.602 5.022
94 HA ARG 16 HA ARG 16 -0.632 16.696 3.765
95 2HB ARG 16 2HB ARG 16 1.833 15.530 3.570
96 2HG ARG 16 2HG ARG 16 0.760 17.813 1.844
97 2HD ARG 16 2HD ARG 16 2.143 16.791 0.037
98 HE ARG 16 HE ARG 16 3.470 18.503 0.995
99 1HH1 ARG 16 1HH1 ARG 16 3.669 15.560 2.913
100 2HH1 ARG 16 2HH1 ARG 16 5.013 16.112 3.856
101 1HH2 ARG 16 1HH2 ARG 16 5.243 19.233 2.238
102 2HH2 ARG 16 2HH2 ARG 16 5.914 18.216 3.470
103 H THR 17 H THR 17 -0.131 17.453 6.809
104 HA THR 17 HA THR 17 0.741 14.852 7.804
105 HB THR 17 HB THR 17 1.007 16.017 9.887
106 HG1 THR 17 HG1 THR 17 -0.603 18.098 8.589
107 1HG2 THR 17 1HG2 THR 17 2.092 17.210 7.552
108 2HG2 THR 17 2HG2 THR 17 1.380 18.559 8.469
109 3HG2 THR 17 3HG2 THR 17 2.605 17.516 9.229
110 H LEU 18 H LEU 18 -2.086 16.141 6.601
111 HA LEU 18 HA LEU 18 -3.947 15.435 8.559
112 2HB LEU 18 2HB LEU 18 -4.753 15.133 5.745
113 HG LEU 18 HG LEU 18 -6.529 16.552 6.263
114 1HD1 LEU 18 1HD1 LEU 18 -5.794 14.691 8.472
115 2HD1 LEU 18 2HD1 LEU 18 -7.158 15.803 8.737
116 3HD1 LEU 18 3HD1 LEU 18 -7.186 14.672 7.363
117 1HD2 LEU 18 1HD2 LEU 18 -4.859 17.572 8.570
118 2HD2 LEU 18 2HD2 LEU 18 -5.412 18.460 7.129
119 3HD2 LEU 18 3HD2 LEU 18 -6.588 17.946 8.363
120 H CYS 19 H CYS 19 -5.567 13.672 6.648
121 HA CYS 19 HA CYS 19 -4.254 11.195 7.465
122 2HB CYS 19 2HB CYS 19 -6.952 10.825 6.536
123 H GLY 20 H GLY 20 -3.679 12.984 5.039
124 1HA GLY 20 1HA GLY 20 -4.460 11.120 2.885
125 2HA GLY 20 2HA GLY 20 -4.060 12.814 2.683
126 H ALA 21 H ALA 21 -1.909 13.463 2.424
127 HA ALA 21 HA ALA 21 -0.081 11.678 1.465
128 1HB ALA 21 1HB ALA 21 0.338 14.353 2.856
129 2HB ALA 21 2HB ALA 21 1.570 13.515 1.883
130 3HB ALA 21 3HB ALA 21 0.067 14.084 1.118
131 H GLU 22 H GLU 22 -1.184 12.021 4.702
132 HA GLU 22 HA GLU 22 1.085 11.547 6.151
133 2HB GLU 22 2HB GLU 22 -1.275 10.087 7.151
134 2HG GLU 22 2HG GLU 22 -1.010 11.751 9.009
135 H LEU 23 H LEU 23 -1.394 8.956 5.573
136 HA LEU 23 HA LEU 23 0.156 6.826 6.148
137 2HB LEU 23 2HB LEU 23 -1.434 6.069 3.939
138 HG LEU 23 HG LEU 23 -3.121 5.448 5.794
139 1HD1 LEU 23 1HD1 LEU 23 -0.325 4.288 5.707
140 2HD1 LEU 23 2HD1 LEU 23 -1.720 3.513 6.495
141 3HD1 LEU 23 3HD1 LEU 23 -1.735 3.795 4.737
142 1HD2 LEU 23 1HD2 LEU 23 -1.725 7.160 7.339
143 2HD2 LEU 23 2HD2 LEU 23 -2.662 5.788 7.979
144 3HD2 LEU 23 3HD2 LEU 23 -0.903 5.636 7.752
145 H VAL 24 H VAL 24 0.456 8.997 3.416
146 HA VAL 24 HA VAL 24 1.811 7.231 1.689
147 HB VAL 24 HB VAL 24 0.953 9.957 1.772
148 1HG1 VAL 24 1HG1 VAL 24 3.875 9.549 1.288
149 2HG1 VAL 24 2HG1 VAL 24 3.002 10.687 0.234
150 3HG1 VAL 24 3HG1 VAL 24 3.013 10.936 1.997
151 1HG2 VAL 24 1HG2 VAL 24 1.124 7.787 -0.036
152 2HG2 VAL 24 2HG2 VAL 24 0.285 9.341 -0.263
153 3HG2 VAL 24 3HG2 VAL 24 1.971 9.153 -0.801
154 H ASP 25 H ASP 25 2.903 9.641 4.161
155 HA ASP 25 HA ASP 25 5.606 9.222 3.677
156 2HB ASP 25 2HB ASP 25 4.769 9.894 6.465
157 H ALA 26 H ALA 26 3.119 7.383 5.318
158 HA ALA 26 HA ALA 26 4.677 6.086 7.259
159 1HB ALA 26 1HB ALA 26 2.000 6.177 6.453
160 2HB ALA 26 2HB ALA 26 2.489 4.496 6.138
161 3HB ALA 26 3HB ALA 26 2.673 5.185 7.768
162 H LEU 27 H LEU 27 3.522 4.928 4.006
163 HA LEU 27 HA LEU 27 4.976 2.593 3.986
164 2HB LEU 27 2HB LEU 27 4.548 2.515 1.662
165 HG LEU 27 HG LEU 27 2.458 3.113 3.398
166 1HD1 LEU 27 1HD1 LEU 27 2.609 5.450 2.283
167 2HD1 LEU 27 2HD1 LEU 27 1.854 4.648 0.885
168 3HD1 LEU 27 3HD1 LEU 27 1.019 4.668 2.456
169 1HD2 LEU 27 1HD2 LEU 27 2.633 2.045 0.593
170 2HD2 LEU 27 2HD2 LEU 27 2.288 1.190 2.117
171 3HD2 LEU 27 3HD2 LEU 27 1.054 2.250 1.391
172 H GLN 28 H GLN 28 5.947 5.941 3.115
173 HA GLN 28 HA GLN 28 8.520 5.007 2.281
174 2HB GLN 28 2HB GLN 28 8.212 7.911 2.720
175 2HG GLN 28 2HG GLN 28 9.706 7.794 1.021
176 1HE2 GLN 28 2HE2 GLN 28 11.285 6.450 1.579
177 2HE2 GLN 28 1HE2 GLN 28 11.377 4.764 1.188
178 H PHE 29 H PHE 29 6.964 5.770 5.239
179 HA PHE 29 HA PHE 29 9.120 6.992 6.588
180 2HB PHE 29 2HB PHE 29 6.390 6.140 6.997
181 HD1 PHE 29 HD1 PHE 29 9.209 5.668 9.415
182 HD2 PHE 29 HD2 PHE 29 5.387 4.388 8.088
183 HE1 PHE 29 HE1 PHE 29 9.181 3.902 11.198
184 HE2 PHE 29 HE2 PHE 29 5.359 2.622 9.870
185 HZ PHE 29 HZ PHE 29 7.257 2.399 11.405
186 H VAL 30 H VAL 30 8.200 3.628 5.871
187 HA VAL 30 HA VAL 30 10.264 2.671 7.698
188 HB VAL 30 HB VAL 30 8.112 1.259 6.108
189 1HG1 VAL 30 1HG1 VAL 30 10.447 0.243 7.652
190 2HG1 VAL 30 2HG1 VAL 30 8.892 -0.583 7.911
191 3HG1 VAL 30 3HG1 VAL 30 9.577 -0.473 6.273
192 1HG2 VAL 30 1HG2 VAL 30 8.337 2.210 8.948
193 2HG2 VAL 30 2HG2 VAL 30 6.956 2.282 7.827
194 3HG2 VAL 30 3HG2 VAL 30 7.404 0.738 8.590
195 H CYS 31 H CYS 31 9.482 3.170 4.279
196 HA CYS 31 HA CYS 31 11.762 1.580 3.471
197 2HB CYS 31 2HB CYS 31 10.558 3.046 1.314
198 H GLY 32 H GLY 32 10.701 4.912 4.056
199 1HA GLY 32 1HA GLY 32 13.150 6.055 4.317
200 2HA GLY 32 2HA GLY 32 12.850 6.149 2.594
201 H ASP 33 H ASP 33 12.179 7.522 5.702
202 HA ASP 33 HA ASP 33 9.801 8.604 5.658
203 2HB ASP 33 2HB ASP 33 11.716 9.114 7.255
204 H ARG 34 H ARG 34 12.379 9.172 3.318
205 HA ARG 34 HA ARG 34 12.134 11.533 2.304
206 2HB ARG 34 2HB ARG 34 12.432 10.565 0.023
207 2HG ARG 34 2HG ARG 34 13.855 8.436 1.431
208 2HD ARG 34 2HD ARG 34 14.661 11.069 0.110
209 HE ARG 34 HE ARG 34 16.787 9.157 0.465
210 1HH1 ARG 34 1HH1 ARG 34 14.982 11.617 2.216
211 2HH1 ARG 34 2HH1 ARG 34 16.271 11.958 3.322
212 1HH2 ARG 34 1HH2 ARG 34 18.489 9.606 1.923
213 2HH2 ARG 34 2HH2 ARG 34 18.279 10.807 3.153
214 H GLY 35 H GLY 35 9.533 9.107 2.325
215 1HA GLY 35 1HA GLY 35 7.275 9.732 2.281
216 2HA GLY 35 2HA GLY 35 7.671 11.151 1.333
217 H PHE 36 H PHE 36 6.038 8.344 1.097
218 HA PHE 36 HA PHE 36 6.858 7.926 -1.693
219 2HB PHE 36 2HB PHE 36 5.924 6.131 0.589
220 HD1 PHE 36 HD1 PHE 36 6.975 5.063 -2.776
221 HD2 PHE 36 HD2 PHE 36 3.766 5.297 -0.008
222 HE1 PHE 36 HE1 PHE 36 5.627 3.502 -4.207
223 HE2 PHE 36 HE2 PHE 36 2.419 3.736 -1.440
224 HZ PHE 36 HZ PHE 36 3.365 2.858 -3.522
225 H TYR 37 H TYR 37 4.889 6.746 -2.914
226 HA TYR 37 HA TYR 37 2.657 8.581 -2.587
227 2HB TYR 37 2HB TYR 37 2.901 6.354 -4.647
228 HD1 TYR 37 HD1 TYR 37 2.538 10.050 -4.103
229 HD2 TYR 37 HD2 TYR 37 1.445 6.639 -6.443
230 HE1 TYR 37 HE1 TYR 37 0.895 11.471 -5.423
231 HE2 TYR 37 HE2 TYR 37 -0.195 8.071 -7.754
232 HH TYR 37 HH TYR 37 -1.430 10.710 -6.814
233 H PHE 38 H PHE 38 1.120 6.308 -4.159
234 HA PHE 38 HA PHE 38 0.591 4.512 -1.942
235 2HB PHE 38 2HB PHE 38 -1.945 5.092 -2.456
236 HD1 PHE 38 HD1 PHE 38 0.114 5.043 -0.184
237 HD2 PHE 38 HD2 PHE 38 -2.270 8.151 -1.816
238 HE1 PHE 38 HE1 PHE 38 0.170 6.245 2.020
239 HE2 PHE 38 HE2 PHE 38 -2.213 9.353 0.387
240 HZ PHE 38 HZ PHE 38 -0.994 8.385 2.279
241 H ASN 39 H ASN 39 -2.049 4.714 -4.083
242 HA ASN 39 HA ASN 39 -1.033 2.387 -5.469
243 2HB ASN 39 2HB ASN 39 -3.154 1.703 -4.908
244 1HD2 ASN 39 2HD2 ASN 39 -3.386 2.409 -2.818
245 2HD2 ASN 39 1HD2 ASN 39 -4.363 3.765 -2.362
246 H LYS 40 H LYS 40 -3.660 4.531 -6.637
247 HA LYS 40 HA LYS 40 -2.053 5.071 -9.024
248 2HB LYS 40 2HB LYS 40 -4.759 5.822 -9.414
249 2HG LYS 40 2HG LYS 40 -3.117 3.394 -10.277
250 2HD LYS 40 2HD LYS 40 -5.937 4.082 -10.714
251 2HE LYS 40 2HE LYS 40 -4.044 3.971 -13.093
252 1HZ LYS 40 1HZ LYS 40 -5.791 2.285 -13.292
253 2HZ LYS 40 2HZ LYS 40 -6.933 3.439 -13.123
254 3HZ LYS 40 3HZ LYS 40 -5.931 3.463 -14.412
255 HA PRO 41 HA PRO 41 -2.095 9.331 -8.288
256 2HB PRO 41 2HB PRO 41 -1.223 9.865 -10.351
257 2HG PRO 41 2HG PRO 41 -1.708 8.352 -12.023
258 2HD PRO 41 2HD PRO 41 -2.086 6.464 -10.766
259 H THR 42 H THR 42 -5.095 8.269 -9.714
260 HA THR 42 HA THR 42 -6.551 9.652 -7.688
261 HB THR 42 HB THR 42 -6.694 10.655 -10.581
262 HG1 THR 42 HG1 THR 42 -6.022 11.932 -8.030
263 1HG2 THR 42 1HG2 THR 42 -8.278 11.277 -8.049
264 2HG2 THR 42 2HG2 THR 42 -8.078 12.491 -9.335
265 3HG2 THR 42 3HG2 THR 42 -8.901 10.953 -9.684
266 H GLY 43 H GLY 43 -9.057 9.527 -8.374
267 1HA GLY 43 1HA GLY 43 -9.688 6.828 -8.433
268 2HA GLY 43 2HA GLY 43 -10.788 8.151 -8.769
269 H TYR 44 H TYR 44 -11.918 7.365 -10.545
270 HA TYR 44 HA TYR 44 -10.444 7.283 -13.021
271 2HB TYR 44 2HB TYR 44 -12.272 4.947 -12.321
272 HD1 TYR 44 HD1 TYR 44 -8.745 5.513 -13.498
273 HD2 TYR 44 HD2 TYR 44 -12.576 3.786 -14.301
274 HE1 TYR 44 HE1 TYR 44 -7.851 4.518 -15.660
275 HE2 TYR 44 HE2 TYR 44 -11.668 2.797 -16.461
276 HH TYR 44 HH TYR 44 -9.942 2.515 -17.722
277 H GLY 45 H GLY 45 -11.690 8.055 -14.688
278 1HA GLY 45 1HA GLY 45 -13.924 9.474 -14.420
279 2HA GLY 45 2HA GLY 45 -13.571 8.553 -15.868
280 H SER 46 H SER 46 -14.181 6.098 -15.738
281 HA SER 46 HA SER 46 -16.906 6.051 -14.883
282 2HB SER 46 2HB SER 46 -15.274 3.831 -16.187
283 HG SER 46 HG SER 46 -17.242 2.965 -16.739
284 H SER 47 H SER 47 -16.115 6.286 -12.515
285 HA SER 47 HA SER 47 -16.328 3.756 -11.320
286 2HB SER 47 2HB SER 47 -14.156 3.785 -10.083
287 HG SER 47 HG SER 47 -13.147 2.743 -11.684
288 H SER 48 H SER 48 -17.689 4.237 -9.639
289 HA SER 48 HA SER 48 -17.231 6.800 -8.321
290 2HB SER 48 2HB SER 48 -19.722 6.666 -7.746
291 HG SER 48 HG SER 48 -18.885 6.800 -10.512
292 H ARG 49 H ARG 49 -15.632 5.159 -7.170
293 HA ARG 49 HA ARG 49 -16.828 4.575 -4.697
294 2HB ARG 49 2HB ARG 49 -15.663 2.042 -5.222
295 2HG ARG 49 2HG ARG 49 -18.553 3.006 -5.100
296 2HD ARG 49 2HD ARG 49 -19.157 0.615 -4.715
297 HE ARG 49 HE ARG 49 -19.472 1.064 -7.030
298 1HH1 ARG 49 1HH1 ARG 49 -16.126 0.217 -6.339
299 2HH1 ARG 49 2HH1 ARG 49 -15.710 -0.026 -8.002
300 1HH2 ARG 49 1HH2 ARG 49 -18.922 0.743 -9.225
301 2HH2 ARG 49 2HH2 ARG 49 -17.312 0.275 -9.655
302 H ARG 50 H ARG 50 -15.078 3.519 -3.173
303 HA ARG 50 HA ARG 50 -12.967 5.003 -2.920
304 2HB ARG 50 2HB ARG 50 -11.763 2.969 -1.903
305 2HG ARG 50 2HG ARG 50 -13.840 2.413 -0.363
306 2HD ARG 50 2HD ARG 50 -13.189 5.367 -0.470
307 HE ARG 50 HE ARG 50 -14.159 4.898 1.622
308 1HH1 ARG 50 1HH1 ARG 50 -11.675 2.513 0.901
309 2HH1 ARG 50 2HH1 ARG 50 -11.693 1.824 2.491
310 1HH2 ARG 50 1HH2 ARG 50 -14.184 3.991 3.720
311 2HH2 ARG 50 2HH2 ARG 50 -13.131 2.671 4.105
312 H ALA 51 H ALA 51 -11.349 5.668 -4.296
313 HA ALA 51 HA ALA 51 -10.794 4.779 -6.746
314 1HB ALA 51 1HB ALA 51 -9.235 6.135 -4.597
315 2HB ALA 51 2HB ALA 51 -8.294 5.486 -5.962
316 3HB ALA 51 3HB ALA 51 -9.595 6.664 -6.258
317 H CYS 52 H CYS 52 -8.202 4.005 -4.398
318 HA CYS 52 HA CYS 52 -8.054 1.375 -5.637
319 2HB CYS 52 2HB CYS 52 -5.948 2.324 -3.744
320 HG CYS 52 HG CYS 52 -6.303 0.741 -6.620
321 H GLN 53 H GLN 53 -9.288 -0.135 -4.554
322 HA GLN 53 HA GLN 53 -10.454 0.024 -2.209
323 2HB GLN 53 2HB GLN 53 -10.045 -1.992 -4.015
324 2HG GLN 53 2HG GLN 53 -7.898 -2.531 -2.597
325 1HE2 GLN 53 2HE2 GLN 53 -7.100 -3.516 -0.802
326 2HE2 GLN 53 1HE2 GLN 53 -8.012 -3.808 0.642
327 H THR 54 H THR 54 -6.976 -0.445 -2.725
328 HA THR 54 HA THR 54 -6.514 -1.070 0.071
329 HB THR 54 HB THR 54 -4.870 -0.866 -2.478
330 HG1 THR 54 HG1 THR 54 -5.726 -2.922 -2.049
331 1HG2 THR 54 1HG2 THR 54 -3.910 -0.863 0.409
332 2HG2 THR 54 2HG2 THR 54 -2.988 -1.735 -0.840
333 3HG2 THR 54 3HG2 THR 54 -3.241 0.020 -0.984
334 H GLY 55 H GLY 55 -7.894 1.432 -0.461
335 1HA GLY 55 1HA GLY 55 -6.429 3.707 -0.577
336 2HA GLY 55 2HA GLY 55 -7.830 3.495 0.455
337 H ILE 56 H ILE 56 -4.254 3.021 0.302
338 HA ILE 56 HA ILE 56 -3.904 2.398 2.997
339 HB ILE 56 HB ILE 56 -2.339 2.643 0.723
340 2HG1 ILE 56 2HG1 ILE 56 -1.501 2.072 3.581
341 1HG2 ILE 56 1HG2 ILE 56 -1.979 5.036 1.295
342 2HG2 ILE 56 2HG2 ILE 56 -1.240 4.519 2.830
343 3HG2 ILE 56 3HG2 ILE 56 -0.484 4.068 1.283
344 1HD1 ILE 56 1HD1 ILE 56 -2.697 0.395 1.344
345 2HD1 ILE 56 2HD1 ILE 56 -1.738 -0.334 2.653
346 3HD1 ILE 56 3HD1 ILE 56 -3.244 0.535 3.031
347 H VAL 57 H VAL 57 -5.280 5.145 1.688
348 HA VAL 57 HA VAL 57 -4.278 6.801 3.900
349 HB VAL 57 HB VAL 57 -5.677 8.290 1.887
350 1HG1 VAL 57 1HG1 VAL 57 -2.780 8.255 2.797
351 2HG1 VAL 57 2HG1 VAL 57 -3.521 9.519 1.787
352 3HG1 VAL 57 3HG1 VAL 57 -4.094 9.261 3.453
353 1HG2 VAL 57 1HG2 VAL 57 -3.447 6.502 0.868
354 2HG2 VAL 57 2HG2 VAL 57 -5.125 6.592 0.281
355 3HG2 VAL 57 3HG2 VAL 57 -4.020 7.963 0.027
356 H ASP 58 H ASP 58 -7.170 5.890 1.920
357 HA ASP 58 HA ASP 58 -8.843 7.005 3.981
358 2HB ASP 58 2HB ASP 58 -9.631 5.555 1.413
359 H GLU 59 H GLU 59 -7.540 3.957 2.768
360 HA GLU 59 HA GLU 59 -9.525 2.423 4.195
361 2HB GLU 59 2HB GLU 59 -7.208 1.048 2.910
362 2HG GLU 59 2HG GLU 59 -9.997 0.517 2.050
363 H CYS 60 H CYS 60 -6.380 3.819 4.637
364 HA CYS 60 HA CYS 60 -5.663 1.883 6.673
365 2HB CYS 60 2HB CYS 60 -3.662 3.634 6.804
366 H CYS 61 H CYS 61 -6.764 5.254 6.158
367 HA CYS 61 HA CYS 61 -6.396 6.014 8.868
368 2HB CYS 61 2HB CYS 61 -8.110 7.859 7.993
369 H PHE 62 H PHE 62 -9.050 4.738 6.797
370 HA PHE 62 HA PHE 62 -11.048 5.041 8.787
371 2HB PHE 62 2HB PHE 62 -10.743 3.285 6.277
372 HD1 PHE 62 HD1 PHE 62 -11.954 1.499 7.728
373 HD2 PHE 62 HD2 PHE 62 -13.725 5.169 6.543
374 HE1 PHE 62 HE1 PHE 62 -14.234 0.523 8.114
375 HE2 PHE 62 HE2 PHE 62 -16.005 4.194 6.929
376 HZ PHE 62 HZ PHE 62 -16.233 1.882 7.710
377 H ARG 63 H ARG 63 -9.168 2.206 7.506
378 HA ARG 63 HA ARG 63 -10.023 0.799 9.905
379 2HB ARG 63 2HB ARG 63 -8.759 -0.828 7.772
380 2HG ARG 63 2HG ARG 63 -10.593 -1.185 9.877
381 2HD ARG 63 2HD ARG 63 -12.082 -0.578 7.498
382 HE ARG 63 HE ARG 63 -12.413 -2.718 6.637
383 1HH1 ARG 63 1HH1 ARG 63 -12.122 -2.954 10.136
384 2HH1 ARG 63 2HH1 ARG 63 -12.459 -4.653 10.177
385 1HH2 ARG 63 1HH2 ARG 63 -12.857 -4.960 6.691
386 2HH2 ARG 63 2HH2 ARG 63 -12.879 -5.802 8.205
387 H SER 64 H SER 64 -8.394 1.135 11.424
388 HA SER 64 HA SER 64 -6.018 1.910 11.418
389 2HB SER 64 2HB SER 64 -5.304 -0.075 12.951
390 HG SER 64 HG SER 64 -6.924 0.538 14.562
391 H CYS 65 H CYS 65 -4.216 1.796 10.131
392 HA CYS 65 HA CYS 65 -3.793 -0.730 8.708
393 2HB CYS 65 2HB CYS 65 -2.310 1.406 7.533
394 H ASP 66 H ASP 66 -2.614 -1.589 10.584
395 HA ASP 66 HA ASP 66 -0.767 -0.476 12.078
396 2HB ASP 66 2HB ASP 66 0.454 -2.697 12.052
397 H LEU 67 H LEU 67 0.866 0.963 11.467
398 HA LEU 67 HA LEU 67 1.900 1.595 9.178
399 2HB LEU 67 2HB LEU 67 2.615 2.089 11.686
400 HG LEU 67 HG LEU 67 4.032 0.082 11.972
401 1HD1 LEU 67 1HD1 LEU 67 4.987 0.852 9.348
402 2HD1 LEU 67 2HD1 LEU 67 6.333 0.672 10.500
403 3HD1 LEU 67 3HD1 LEU 67 5.198 -0.675 10.240
404 1HD2 LEU 67 1HD2 LEU 67 5.380 2.787 11.961
405 2HD2 LEU 67 2HD2 LEU 67 4.603 1.939 13.319
406 3HD2 LEU 67 3HD2 LEU 67 6.133 1.327 12.646
407 H ARG 68 H ARG 68 2.546 -1.520 10.801
408 HA ARG 68 HA ARG 68 4.653 -2.406 9.405
409 2HB ARG 68 2HB ARG 68 2.153 -3.827 10.397
410 2HG ARG 68 2HG ARG 68 3.930 -5.871 10.123
411 2HD ARG 68 2HD ARG 68 2.677 -5.988 7.658
412 HE ARG 68 HE ARG 68 0.881 -6.632 9.840
413 1HH1 ARG 68 1HH1 ARG 68 3.961 -7.533 8.397
414 2HH1 ARG 68 2HH1 ARG 68 3.911 -9.159 8.994
415 1HH2 ARG 68 1HH2 ARG 68 0.814 -8.777 10.628
416 2HH2 ARG 68 2HH2 ARG 68 2.108 -9.871 10.271
417 H ARG 69 H ARG 69 1.277 -2.023 8.312
418 HA ARG 69 HA ARG 69 1.564 -3.589 6.011
419 2HB ARG 69 2HB ARG 69 -0.395 -1.333 6.675
420 2HG ARG 69 2HG ARG 69 -0.297 -3.368 4.420
421 2HD ARG 69 2HD ARG 69 -2.789 -1.918 4.444
422 HE ARG 69 HE ARG 69 -2.767 -4.806 4.989
423 1HH1 ARG 69 1HH1 ARG 69 -2.389 -2.310 2.538
424 2HH1 ARG 69 2HH1 ARG 69 -2.751 -3.372 1.218
425 1HH2 ARG 69 1HH2 ARG 69 -3.244 -6.207 3.248
426 2HH2 ARG 69 2HH2 ARG 69 -3.240 -5.604 1.625
427 H LEU 70 H LEU 70 1.112 0.018 6.326
428 HA LEU 70 HA LEU 70 1.645 0.831 3.856
429 2HB LEU 70 2HB LEU 70 1.177 2.549 5.245
430 HG LEU 70 HG LEU 70 2.067 1.088 7.343
431 1HD1 LEU 70 1HD1 LEU 70 4.430 1.633 6.844
432 2HD1 LEU 70 2HD1 LEU 70 4.066 3.354 7.112
433 3HD1 LEU 70 3HD1 LEU 70 3.908 2.192 8.452
434 1HD2 LEU 70 1HD2 LEU 70 1.017 3.793 6.939
435 2HD2 LEU 70 2HD2 LEU 70 0.533 2.529 8.095
436 3HD2 LEU 70 3HD2 LEU 70 1.909 3.596 8.466
437 H GLU 71 H GLU 71 4.016 -0.519 6.157
438 HA GLU 71 HA GLU 71 6.242 0.195 4.596
439 2HB GLU 71 2HB GLU 71 5.813 -0.834 7.157
440 2HG GLU 71 2HG GLU 71 5.838 -3.147 6.043
441 H MET 72 H MET 72 4.124 -2.698 4.850
442 HA MET 72 HA MET 72 5.605 -4.478 3.441
443 2HB MET 72 2HB MET 72 2.901 -4.819 2.589
444 2HG MET 72 2HG MET 72 2.864 -6.300 4.779
445 1HE MET 72 1HE MET 72 4.861 -8.119 5.081
446 2HE MET 72 2HE MET 72 4.036 -9.327 4.066
447 3HE MET 72 3HE MET 72 5.717 -8.864 3.710
448 H TYR 73 H TYR 73 3.086 -2.226 2.082
449 HA TYR 73 HA TYR 73 3.490 -2.894 -0.577
450 2HB TYR 73 2HB TYR 73 2.944 -0.028 0.144
451 HD1 TYR 73 HD1 TYR 73 0.844 -3.075 -0.510
452 HD2 TYR 73 HD2 TYR 73 2.115 0.779 -1.866
453 HE1 TYR 73 HE1 TYR 73 -0.739 -3.243 -2.493
454 HE2 TYR 73 HE2 TYR 73 0.528 0.598 -3.844
455 HH TYR 73 HH TYR 73 -0.738 -0.777 -5.013
456 H CYS 74 H CYS 74 5.643 -1.332 1.605
457 HA CYS 74 HA CYS 74 7.023 0.544 0.905
458 2HB CYS 74 2HB CYS 74 8.956 -1.416 0.183
459 H ALA 75 H ALA 75 5.380 0.711 -1.215
460 HA ALA 75 HA ALA 75 6.564 -0.255 -3.627
461 1HB ALA 75 1HB ALA 75 4.147 1.202 -2.752
462 2HB ALA 75 2HB ALA 75 4.766 1.710 -4.342
463 3HB ALA 75 3HB ALA 75 4.352 0.004 -4.053
464 HA PRO 76 HA PRO 76 9.226 3.066 -4.397
465 2HB PRO 76 2HB PRO 76 10.273 1.934 -6.107
466 2HG PRO 76 2HG PRO 76 9.007 0.267 -7.077
467 2HD PRO 76 2HD PRO 76 7.564 -0.205 -5.351
468 H LEU 77 H LEU 77 9.054 5.197 -4.140
469 HA LEU 77 HA LEU 77 6.785 6.554 -4.294
470 2HB LEU 77 2HB LEU 77 9.614 7.380 -4.828
471 HG LEU 77 HG LEU 77 7.699 8.956 -5.898
472 1HD1 LEU 77 1HD1 LEU 77 7.843 9.715 -2.972
473 2HD1 LEU 77 2HD1 LEU 77 7.278 10.812 -4.255
474 3HD1 LEU 77 3HD1 LEU 77 6.402 9.297 -3.931
475 1HD2 LEU 77 1HD2 LEU 77 10.275 9.671 -4.506
476 2HD2 LEU 77 2HD2 LEU 77 9.949 9.484 -6.246
477 3HD2 LEU 77 3HD2 LEU 77 9.301 10.889 -5.365
478 H LYS 78 H LYS 78 5.221 6.495 -5.823
479 HA LYS 78 HA LYS 78 5.638 5.894 -8.482
480 2HB LYS 78 2HB LYS 78 3.333 7.643 -7.889
481 2HG LYS 78 2HG LYS 78 2.805 4.842 -8.498
482 2HD LYS 78 2HD LYS 78 1.391 6.902 -9.041
483 2HE LYS 78 2HE LYS 78 3.053 7.202 -11.539
484 1HZ LYS 78 1HZ LYS 78 0.868 8.287 -11.052
485 2HZ LYS 78 2HZ LYS 78 1.636 9.203 -9.938
486 3HZ LYS 78 3HZ LYS 78 2.070 9.295 -11.510
487 HA PRO 79 HA PRO 79 5.834 10.553 -9.249
488 2HB PRO 79 2HB PRO 79 4.528 11.897 -7.911
489 2HG PRO 79 2HG PRO 79 3.930 10.958 -5.891
490 2HD PRO 79 2HD PRO 79 4.108 8.725 -6.412
491 H ALA 80 H ALA 80 7.504 12.611 -8.458
492 HA ALA 80 HA ALA 80 9.945 11.464 -7.529
493 1HB ALA 80 1HB ALA 80 9.402 11.766 -10.459
494 2HB ALA 80 2HB ALA 80 11.008 12.255 -9.865
495 3HB ALA 80 3HB ALA 80 10.430 10.592 -9.602
496 H LYS 81 H LYS 81 8.776 13.374 -6.215
497 HA LYS 81 HA LYS 81 10.480 15.543 -6.344
498 2HB LYS 81 2HB LYS 81 7.949 16.758 -7.158
499 2HG LYS 81 2HG LYS 81 10.879 16.923 -7.979
500 2HD LYS 81 2HD LYS 81 8.418 18.114 -9.242
501 2HE LYS 81 2HE LYS 81 11.071 19.577 -9.386
502 1HZ LYS 81 1HZ LYS 81 8.317 20.023 -10.149
503 2HZ LYS 81 2HZ LYS 81 9.184 21.331 -9.696
504 3HZ LYS 81 3HZ LYS 81 9.692 20.407 -10.943
505 H SER 82 H SER 82 9.404 13.670 -4.462
506 HA SER 82 HA SER 82 7.368 14.059 -2.984
507 2HB SER 82 2HB SER 82 10.243 14.115 -1.984
508 HG SER 82 HG SER 82 9.297 14.619 -0.099
509 H ALA 83 H ALA 83 10.204 16.167 -2.117
510 HA ALA 83 HA ALA 83 8.859 17.999 -0.636
511 1HB ALA 83 1HB ALA 83 11.404 17.666 -1.293
512 2HB ALA 83 2HB ALA 83 11.033 18.916 -2.505
513 3HB ALA 83 3HB ALA 83 10.805 19.260 -0.773
Start of MODEL 10
1 H MET 1 H MET 1 -4.773 10.091 -8.063
2 HA MET 1 HA MET 1 -7.303 10.737 -9.282
3 2HB MET 1 2HB MET 1 -5.611 13.009 -9.329
4 2HG MET 1 2HG MET 1 -8.058 12.359 -8.251
5 1HE MET 1 1HE MET 1 -7.713 10.378 -7.177
6 2HE MET 1 2HE MET 1 -6.560 10.062 -5.859
7 3HE MET 1 3HE MET 1 -8.256 10.447 -5.483
8 H PHE 2 H PHE 2 -3.936 10.107 -10.141
9 HA PHE 2 HA PHE 2 -4.314 9.632 -12.747
10 2HB PHE 2 2HB PHE 2 -4.987 11.751 -13.489
11 HD1 PHE 2 HD1 PHE 2 -2.593 12.486 -10.714
12 HD2 PHE 2 HD2 PHE 2 -6.124 13.621 -12.773
13 HE1 PHE 2 HE1 PHE 2 -2.958 14.341 -9.064
14 HE2 PHE 2 HE2 PHE 2 -6.489 15.477 -11.124
15 HZ PHE 2 HZ PHE 2 -4.901 15.815 -9.289
16 HA PRO 3 HA PRO 3 -0.069 8.957 -12.172
17 2HB PRO 3 2HB PRO 3 -0.118 7.081 -13.508
18 2HG PRO 3 2HG PRO 3 -1.898 6.987 -14.971
19 2HD PRO 3 2HD PRO 3 -3.399 8.342 -13.875
20 H ALA 4 H ALA 4 -0.344 10.317 -15.424
21 HA ALA 4 HA ALA 4 1.860 11.567 -15.819
22 1HB ALA 4 1HB ALA 4 -0.838 12.067 -16.492
23 2HB ALA 4 2HB ALA 4 -0.169 13.639 -15.991
24 3HB ALA 4 3HB ALA 4 0.612 12.714 -17.296
25 H MET 5 H MET 5 -0.529 13.629 -14.047
26 HA MET 5 HA MET 5 1.741 14.662 -12.554
27 2HB MET 5 2HB MET 5 -1.093 15.769 -12.973
28 2HG MET 5 2HG MET 5 1.378 16.857 -11.573
29 1HE MET 5 1HE MET 5 -2.195 18.016 -11.750
30 2HE MET 5 2HE MET 5 -1.404 19.166 -10.646
31 3HE MET 5 3HE MET 5 -2.066 19.733 -12.197
32 HA PRO 6 HA PRO 6 -0.112 12.419 -9.222
33 2HB PRO 6 2HB PRO 6 1.771 11.152 -8.829
34 2HG PRO 6 2HG PRO 6 3.679 11.912 -9.878
35 2HD PRO 6 2HD PRO 6 2.747 13.087 -11.619
36 H LEU 7 H LEU 7 -1.618 13.373 -8.022
37 HA LEU 7 HA LEU 7 -0.618 15.563 -6.359
38 2HB LEU 7 2HB LEU 7 -3.307 15.784 -7.652
39 HG LEU 7 HG LEU 7 -3.108 18.092 -7.374
40 1HD1 LEU 7 1HD1 LEU 7 -1.980 16.633 -4.991
41 2HD1 LEU 7 2HD1 LEU 7 -2.296 18.385 -4.953
42 3HD1 LEU 7 3HD1 LEU 7 -3.629 17.247 -5.260
43 1HD2 LEU 7 1HD2 LEU 7 -0.769 18.196 -8.294
44 2HD2 LEU 7 2HD2 LEU 7 -1.116 19.328 -6.965
45 3HD2 LEU 7 3HD2 LEU 7 -0.181 17.846 -6.652
46 H SER 8 H SER 8 -0.613 13.263 -5.159
47 HA SER 8 HA SER 8 -2.787 13.465 -3.366
48 2HB SER 8 2HB SER 8 -4.162 11.986 -4.405
49 HG SER 8 HG SER 8 -1.891 11.598 -6.035
50 H SER 9 H SER 9 -0.269 13.956 -2.703
51 HA SER 9 HA SER 9 0.453 11.617 -1.181
52 2HB SER 9 2HB SER 9 2.935 12.127 -1.782
53 HG SER 9 HG SER 9 2.287 10.224 -2.653
54 H LEU 10 H LEU 10 -0.121 12.676 0.754
55 HA LEU 10 HA LEU 10 0.546 13.825 2.580
56 2HB LEU 10 2HB LEU 10 2.322 15.356 2.627
57 HG LEU 10 HG LEU 10 2.755 12.968 0.983
58 1HD1 LEU 10 1HD1 LEU 10 4.075 15.451 0.192
59 2HD1 LEU 10 2HD1 LEU 10 5.224 14.164 0.633
60 3HD1 LEU 10 3HD1 LEU 10 4.002 13.872 -0.628
61 1HD2 LEU 10 1HD2 LEU 10 3.209 13.361 3.474
62 2HD2 LEU 10 2HD2 LEU 10 4.460 12.523 2.524
63 3HD2 LEU 10 3HD2 LEU 10 4.660 14.242 2.942
64 H PHE 11 H PHE 11 -1.656 14.214 0.564
65 HA PHE 11 HA PHE 11 -2.922 16.336 1.791
66 2HB PHE 11 2HB PHE 11 -2.155 17.054 -1.066
67 HD1 PHE 11 HD1 PHE 11 -1.644 18.828 2.153
68 HD2 PHE 11 HD2 PHE 11 -3.896 18.582 -1.433
69 HE1 PHE 11 HE1 PHE 11 -2.751 21.014 2.699
70 HE2 PHE 11 HE2 PHE 11 -5.004 20.767 -0.889
71 HZ PHE 11 HZ PHE 11 -4.418 21.958 1.171
72 H VAL 12 H VAL 12 -3.342 13.589 0.824
73 HA VAL 12 HA VAL 12 -4.779 13.460 -1.530
74 HB VAL 12 HB VAL 12 -3.963 11.543 -0.273
75 1HG1 VAL 12 1HG1 VAL 12 -5.473 12.760 1.885
76 2HG1 VAL 12 2HG1 VAL 12 -5.949 11.061 1.655
77 3HG1 VAL 12 3HG1 VAL 12 -4.241 11.476 1.943
78 1HG2 VAL 12 1HG2 VAL 12 -6.484 11.777 -1.540
79 2HG2 VAL 12 2HG2 VAL 12 -5.483 10.319 -1.350
80 3HG2 VAL 12 3HG2 VAL 12 -6.718 10.716 -0.132
81 H ASN 13 H ASN 13 -7.020 12.409 0.776
82 HA ASN 13 HA ASN 13 -9.110 13.729 -0.077
83 2HB ASN 13 2HB ASN 13 -9.844 13.730 2.509
84 1HD2 ASN 13 2HD2 ASN 13 -11.471 12.393 2.477
85 2HD2 ASN 13 1HD2 ASN 13 -11.567 10.866 1.667
86 H GLY 14 H GLY 14 -6.436 15.052 1.828
87 1HA GLY 14 1HA GLY 14 -6.787 17.682 1.269
88 2HA GLY 14 2HA GLY 14 -7.812 17.442 2.670
89 HA PRO 15 HA PRO 15 -3.905 18.161 4.633
90 2HB PRO 15 2HB PRO 15 -4.565 20.147 5.594
91 2HG PRO 15 2HG PRO 15 -6.835 20.550 5.512
92 2HD PRO 15 2HD PRO 15 -7.414 19.254 3.703
93 H ARG 16 H ARG 16 -2.897 17.535 6.822
94 HA ARG 16 HA ARG 16 -3.042 14.836 6.966
95 2HB ARG 16 2HB ARG 16 -1.317 16.473 8.003
96 2HG ARG 16 2HG ARG 16 -3.249 16.247 10.360
97 2HD ARG 16 2HD ARG 16 -0.834 16.286 10.996
98 HE ARG 16 HE ARG 16 -0.448 18.985 9.868
99 1HH1 ARG 16 1HH1 ARG 16 0.125 15.535 9.486
100 2HH1 ARG 16 2HH1 ARG 16 1.459 15.746 8.400
101 1HH2 ARG 16 2HH2 ARG 16 1.310 19.266 8.436
102 2HH2 ARG 16 1HH2 ARG 16 2.137 17.883 7.800
103 H THR 17 H THR 17 -5.325 17.183 8.106
104 HA THR 17 HA THR 17 -6.391 15.562 10.237
105 HB THR 17 HB THR 17 -7.746 17.468 10.633
106 HG1 THR 17 HG1 THR 17 -7.402 17.643 7.746
107 1HG2 THR 17 1HG2 THR 17 -5.081 18.015 10.093
108 2HG2 THR 17 2HG2 THR 17 -5.907 19.097 8.945
109 3HG2 THR 17 3HG2 THR 17 -6.247 19.221 10.689
110 H LEU 18 H LEU 18 -6.515 15.444 6.839
111 HA LEU 18 HA LEU 18 -9.233 14.419 6.806
112 2HB LEU 18 2HB LEU 18 -8.314 14.115 4.280
113 HG LEU 18 HG LEU 18 -9.021 16.596 3.911
114 1HD1 LEU 18 1HD1 LEU 18 -10.504 14.148 4.349
115 2HD1 LEU 18 2HD1 LEU 18 -11.479 15.576 4.774
116 3HD1 LEU 18 3HD1 LEU 18 -10.759 15.440 3.152
117 1HD2 LEU 18 1HD2 LEU 18 -8.789 16.765 6.615
118 2HD2 LEU 18 2HD2 LEU 18 -9.796 17.839 5.614
119 3HD2 LEU 18 3HD2 LEU 18 -10.531 16.445 6.442
120 H CYS 19 H CYS 19 -6.843 13.036 4.637
121 HA CYS 19 HA CYS 19 -7.310 10.476 5.927
122 2HB CYS 19 2HB CYS 19 -5.751 10.356 3.493
123 H GLY 20 H GLY 20 -5.417 12.830 6.763
124 1HA GLY 20 1HA GLY 20 -3.384 13.041 7.693
125 2HA GLY 20 2HA GLY 20 -3.337 11.294 7.810
126 H ALA 21 H ALA 21 -1.263 13.443 7.021
127 HA ALA 21 HA ALA 21 -0.699 12.640 4.281
128 1HB ALA 21 1HB ALA 21 0.188 14.810 6.160
129 2HB ALA 21 2HB ALA 21 1.279 14.328 4.839
130 3HB ALA 21 3HB ALA 21 -0.358 14.922 4.470
131 H GLU 22 H GLU 22 -0.280 11.348 7.317
132 HA GLU 22 HA GLU 22 2.457 10.726 7.224
133 2HB GLU 22 2HB GLU 22 0.122 9.530 8.772
134 2HG GLU 22 2HG GLU 22 2.702 9.098 10.007
135 H LEU 23 H LEU 23 -0.539 8.749 6.615
136 HA LEU 23 HA LEU 23 0.353 6.379 5.975
137 2HB LEU 23 2HB LEU 23 -1.300 6.387 4.042
138 HG LEU 23 HG LEU 23 -2.250 7.436 6.723
139 1HD1 LEU 23 1HD1 LEU 23 -3.723 7.535 4.446
140 2HD1 LEU 23 2HD1 LEU 23 -4.115 5.898 5.025
141 3HD1 LEU 23 3HD1 LEU 23 -4.400 7.304 6.076
142 1HD2 LEU 23 1HD2 LEU 23 -2.002 4.631 5.608
143 2HD2 LEU 23 2HD2 LEU 23 -1.127 5.336 6.988
144 3HD2 LEU 23 3HD2 LEU 23 -2.880 5.050 7.099
145 H VAL 24 H VAL 24 0.813 9.279 3.876
146 HA VAL 24 HA VAL 24 2.236 7.772 1.909
147 HB VAL 24 HB VAL 24 1.007 9.643 1.178
148 1HG1 VAL 24 1HG1 VAL 24 2.506 11.288 3.244
149 2HG1 VAL 24 2HG1 VAL 24 1.406 11.949 2.011
150 3HG1 VAL 24 3HG1 VAL 24 0.780 10.857 3.269
151 1HG2 VAL 24 1HG2 VAL 24 3.735 9.390 0.673
152 2HG2 VAL 24 2HG2 VAL 24 2.561 10.330 -0.279
153 3HG2 VAL 24 3HG2 VAL 24 3.515 11.126 0.996
154 H ASP 25 H ASP 25 3.053 9.943 4.671
155 HA ASP 25 HA ASP 25 5.784 9.974 4.123
156 2HB ASP 25 2HB ASP 25 4.796 10.148 6.959
157 H ALA 26 H ALA 26 3.566 7.718 5.731
158 HA ALA 26 HA ALA 26 5.380 6.359 7.358
159 1HB ALA 26 1HB ALA 26 2.698 6.304 6.949
160 2HB ALA 26 2HB ALA 26 3.170 4.836 6.060
161 3HB ALA 26 3HB ALA 26 3.586 5.006 7.783
162 H LEU 27 H LEU 27 4.142 5.517 4.040
163 HA LEU 27 HA LEU 27 5.905 3.378 3.700
164 2HB LEU 27 2HB LEU 27 5.236 3.446 1.390
165 HG LEU 27 HG LEU 27 3.321 3.400 3.489
166 1HD1 LEU 27 1HD1 LEU 27 2.708 5.629 2.158
167 2HD1 LEU 27 2HD1 LEU 27 1.894 4.453 1.099
168 3HD1 LEU 27 3HD1 LEU 27 1.471 4.536 2.826
169 1HD2 LEU 27 1HD2 LEU 27 3.799 2.160 0.870
170 2HD2 LEU 27 2HD2 LEU 27 3.263 1.442 2.407
171 3HD2 LEU 27 3HD2 LEU 27 2.084 2.238 1.337
172 H GLN 28 H GLN 28 6.229 6.893 3.232
173 HA GLN 28 HA GLN 28 8.615 6.640 1.732
174 2HB GLN 28 2HB GLN 28 8.130 9.196 3.166
175 2HG GLN 28 2HG GLN 28 7.886 9.100 0.230
176 1HE2 GLN 28 2HE2 GLN 28 8.371 11.047 -0.440
177 2HE2 GLN 28 1HE2 GLN 28 9.312 12.238 0.395
178 H PHE 29 H PHE 29 7.864 6.075 4.980
179 HA PHE 29 HA PHE 29 10.372 7.101 6.009
180 2HB PHE 29 2HB PHE 29 7.707 6.371 6.940
181 HD1 PHE 29 HD1 PHE 29 10.929 5.572 8.664
182 HD2 PHE 29 HD2 PHE 29 6.922 4.422 7.871
183 HE1 PHE 29 HE1 PHE 29 11.199 3.586 10.175
184 HE2 PHE 29 HE2 PHE 29 7.192 2.436 9.382
185 HZ PHE 29 HZ PHE 29 9.328 2.042 10.516
186 H VAL 30 H VAL 30 8.628 3.922 5.733
187 HA VAL 30 HA VAL 30 11.204 2.604 6.171
188 HB VAL 30 HB VAL 30 8.480 2.117 6.967
189 1HG1 VAL 30 1HG1 VAL 30 8.511 0.654 4.920
190 2HG1 VAL 30 2HG1 VAL 30 9.829 -0.274 5.675
191 3HG1 VAL 30 3HG1 VAL 30 8.227 -0.212 6.449
192 1HG2 VAL 30 1HG2 VAL 30 10.771 2.058 8.231
193 2HG2 VAL 30 2HG2 VAL 30 9.474 0.932 8.699
194 3HG2 VAL 30 3HG2 VAL 30 10.821 0.365 7.682
195 H CYS 31 H CYS 31 8.477 3.012 3.883
196 HA CYS 31 HA CYS 31 9.303 1.027 2.094
197 2HB CYS 31 2HB CYS 31 7.961 3.290 0.843
198 H GLY 32 H GLY 32 10.361 4.321 2.819
199 1HA GLY 32 1HA GLY 32 12.651 4.797 2.121
200 2HA GLY 32 2HA GLY 32 12.234 4.190 0.531
201 H ASP 33 H ASP 33 12.833 6.990 2.126
202 HA ASP 33 HA ASP 33 10.973 8.771 1.963
203 2HB ASP 33 2HB ASP 33 13.279 9.620 0.286
204 H ARG 34 H ARG 34 12.132 6.838 -0.741
205 HA ARG 34 HA ARG 34 11.547 8.414 -2.871
206 2HB ARG 34 2HB ARG 34 12.638 6.167 -2.995
207 2HG ARG 34 2HG ARG 34 9.803 5.197 -2.412
208 2HD ARG 34 2HD ARG 34 11.069 4.006 -4.364
209 HE ARG 34 HE ARG 34 12.979 3.609 -2.187
210 1HH1 ARG 34 1HH1 ARG 34 11.686 2.220 -5.149
211 2HH1 ARG 34 2HH1 ARG 34 13.096 1.265 -5.468
212 1HH2 ARG 34 1HH2 ARG 34 14.840 2.350 -2.607
213 2HH2 ARG 34 2HH2 ARG 34 14.902 1.340 -4.012
214 H GLY 35 H GLY 35 9.401 7.062 -0.493
215 1HA GLY 35 1HA GLY 35 7.176 7.311 -0.212
216 2HA GLY 35 2HA GLY 35 7.116 8.302 -1.656
217 H PHE 36 H PHE 36 5.418 5.946 -0.585
218 HA PHE 36 HA PHE 36 5.799 4.081 -2.799
219 2HB PHE 36 2HB PHE 36 4.246 4.136 -0.152
220 HD1 PHE 36 HD1 PHE 36 5.261 1.398 -2.465
221 HD2 PHE 36 HD2 PHE 36 2.084 3.318 -0.407
222 HE1 PHE 36 HE1 PHE 36 3.690 -0.422 -3.189
223 HE2 PHE 36 HE2 PHE 36 0.515 1.497 -1.130
224 HZ PHE 36 HZ PHE 36 1.337 -0.350 -2.513
225 H TYR 37 H TYR 37 4.039 3.498 -4.201
226 HA TYR 37 HA TYR 37 2.341 5.699 -4.816
227 2HB TYR 37 2HB TYR 37 2.242 2.762 -5.727
228 HD1 TYR 37 HD1 TYR 37 0.654 5.838 -5.876
229 HD2 TYR 37 HD2 TYR 37 2.211 2.808 -8.464
230 HE1 TYR 37 HE1 TYR 37 -0.898 6.617 -7.734
231 HE2 TYR 37 HE2 TYR 37 0.654 3.596 -10.312
232 HH TYR 37 HH TYR 37 -1.961 5.410 -9.813
233 H PHE 38 H PHE 38 1.124 5.934 -2.787
234 HA PHE 38 HA PHE 38 -0.245 4.351 -1.300
235 2HB PHE 38 2HB PHE 38 -2.308 6.063 -2.189
236 HD1 PHE 38 HD1 PHE 38 0.139 5.125 0.048
237 HD2 PHE 38 HD2 PHE 38 -2.140 8.531 -1.054
238 HE1 PHE 38 HE1 PHE 38 0.496 6.102 2.331
239 HE2 PHE 38 HE2 PHE 38 -1.783 9.508 1.230
240 HZ PHE 38 HZ PHE 38 -0.469 8.282 2.895
241 H ASN 39 H ASN 39 -2.202 5.465 -4.125
242 HA ASN 39 HA ASN 39 -3.384 2.821 -4.137
243 2HB ASN 39 2HB ASN 39 -5.267 4.127 -4.263
244 1HD2 ASN 39 2HD2 ASN 39 -5.524 5.840 -3.056
245 2HD2 ASN 39 1HD2 ASN 39 -4.873 7.422 -3.324
246 H LYS 40 H LYS 40 -4.288 2.444 -6.675
247 HA LYS 40 HA LYS 40 -1.836 2.522 -8.267
248 2HB LYS 40 2HB LYS 40 -3.852 0.883 -9.449
249 2HG LYS 40 2HG LYS 40 -1.673 -0.352 -7.826
250 2HD LYS 40 2HD LYS 40 -3.064 -0.728 -10.384
251 2HE LYS 40 2HE LYS 40 -0.015 -0.871 -10.325
252 1HZ LYS 40 1HZ LYS 40 -1.991 -2.117 -12.083
253 2HZ LYS 40 2HZ LYS 40 -0.488 -1.768 -12.619
254 3HZ LYS 40 3HZ LYS 40 -0.691 -2.802 -11.370
255 HA PRO 41 HA PRO 41 -3.636 5.045 -11.283
256 2HB PRO 41 2HB PRO 41 -1.923 4.755 -12.794
257 2HG PRO 41 2HG PRO 41 -0.806 2.746 -12.609
258 2HD PRO 41 2HD PRO 41 -1.248 2.233 -10.412
259 H THR 42 H THR 42 -5.784 4.803 -10.391
260 HA THR 42 HA THR 42 -7.612 2.966 -11.050
261 HB THR 42 HB THR 42 -8.313 4.720 -9.623
262 HG1 THR 42 HG1 THR 42 -10.171 5.325 -10.770
263 1HG2 THR 42 1HG2 THR 42 -6.960 6.460 -11.665
264 2HG2 THR 42 2HG2 THR 42 -8.421 7.134 -10.903
265 3HG2 THR 42 3HG2 THR 42 -7.037 6.646 -9.896
266 H GLY 43 H GLY 43 -8.381 5.872 -12.867
267 1HA GLY 43 1HA GLY 43 -9.501 4.787 -15.017
268 2HA GLY 43 2HA GLY 43 -8.529 6.242 -15.109
269 H TYR 44 H TYR 44 -8.616 2.732 -15.650
270 HA TYR 44 HA TYR 44 -6.425 3.012 -17.516
271 2HB TYR 44 2HB TYR 44 -6.386 0.798 -15.410
272 HD1 TYR 44 HD1 TYR 44 -3.985 3.397 -16.667
273 HD2 TYR 44 HD2 TYR 44 -4.911 -0.763 -16.302
274 HE1 TYR 44 HE1 TYR 44 -1.738 2.801 -17.695
275 HE2 TYR 44 HE2 TYR 44 -2.661 -1.346 -17.332
276 HH TYR 44 HH TYR 44 -0.748 0.958 -18.906
277 H GLY 45 H GLY 45 -5.954 0.432 -18.218
278 1HA GLY 45 1HA GLY 45 -8.009 -0.299 -19.840
279 2HA GLY 45 2HA GLY 45 -6.803 -1.405 -19.215
280 H SER 46 H SER 46 -7.494 -1.200 -16.382
281 HA SER 46 HA SER 46 -9.918 -2.777 -16.512
282 2HB SER 46 2HB SER 46 -8.034 -2.439 -14.143
283 HG SER 46 HG SER 46 -10.297 -3.980 -14.694
284 H SER 47 H SER 47 -11.222 -0.736 -16.817
285 HA SER 47 HA SER 47 -11.220 1.173 -14.749
286 2HB SER 47 2HB SER 47 -13.384 0.634 -16.828
287 HG SER 47 HG SER 47 -13.711 2.949 -16.595
288 H SER 48 H SER 48 -11.388 -0.544 -12.963
289 HA SER 48 HA SER 48 -14.158 -0.733 -12.242
290 2HB SER 48 2HB SER 48 -13.038 -3.295 -11.588
291 HG SER 48 HG SER 48 -15.128 -3.548 -12.000
292 H ARG 49 H ARG 49 -14.348 -1.534 -9.875
293 HA ARG 49 HA ARG 49 -12.665 -0.035 -8.320
294 2HB ARG 49 2HB ARG 49 -13.726 -2.157 -6.698
295 2HG ARG 49 2HG ARG 49 -13.804 0.651 -6.828
296 2HD ARG 49 2HD ARG 49 -16.545 0.495 -6.269
297 HE ARG 49 HE ARG 49 -14.933 2.016 -7.943
298 1HH1 ARG 49 1HH1 ARG 49 -18.089 0.498 -8.282
299 2HH1 ARG 49 2HH1 ARG 49 -18.675 1.673 -9.410
300 1HH2 ARG 49 1HH2 ARG 49 -15.706 3.568 -9.433
301 2HH2 ARG 49 2HH2 ARG 49 -17.310 3.431 -10.070
302 H ARG 50 H ARG 50 -10.467 -0.673 -9.030
303 HA ARG 50 HA ARG 50 -9.383 -2.597 -7.307
304 2HB ARG 50 2HB ARG 50 -10.191 -4.194 -9.004
305 2HG ARG 50 2HG ARG 50 -8.395 -3.001 -11.105
306 2HD ARG 50 2HD ARG 50 -10.612 -3.814 -12.399
307 HE ARG 50 HE ARG 50 -8.151 -5.157 -11.686
308 1HH1 ARG 50 1HH1 ARG 50 -11.312 -5.725 -13.125
309 2HH1 ARG 50 2HH1 ARG 50 -10.782 -7.080 -14.065
310 1HH2 ARG 50 1HH2 ARG 50 -7.452 -6.944 -12.925
311 2HH2 ARG 50 2HH2 ARG 50 -8.572 -7.778 -13.951
312 H ALA 51 H ALA 51 -8.477 -0.286 -7.003
313 HA ALA 51 HA ALA 51 -5.970 -0.137 -8.430
314 1HB ALA 51 1HB ALA 51 -7.962 1.223 -9.601
315 2HB ALA 51 2HB ALA 51 -7.536 2.416 -8.351
316 3HB ALA 51 3HB ALA 51 -6.305 1.867 -9.515
317 H CYS 52 H CYS 52 -7.182 -0.675 -5.672
318 HA CYS 52 HA CYS 52 -5.222 0.586 -4.192
319 2HB CYS 52 2HB CYS 52 -6.525 2.660 -4.616
320 HG CYS 52 HG CYS 52 -8.873 1.305 -4.885
321 H GLN 53 H GLN 53 -5.925 -2.012 -4.376
322 HA GLN 53 HA GLN 53 -7.996 -3.002 -2.981
323 2HB GLN 53 2HB GLN 53 -6.825 -4.731 -3.908
324 2HG GLN 53 2HG GLN 53 -4.119 -4.611 -3.493
325 1HE2 GLN 53 2HE2 GLN 53 -3.560 -2.384 -5.376
326 2HE2 GLN 53 1HE2 GLN 53 -4.126 -2.900 -6.930
327 H THR 54 H THR 54 -4.675 -2.449 -1.583
328 HA THR 54 HA THR 54 -5.901 -2.444 1.077
329 HB THR 54 HB THR 54 -3.928 -3.953 0.482
330 HG1 THR 54 HG1 THR 54 -3.655 -1.726 2.376
331 1HG2 THR 54 1HG2 THR 54 -2.830 -1.784 -0.781
332 2HG2 THR 54 2HG2 THR 54 -2.123 -1.582 0.839
333 3HG2 THR 54 3HG2 THR 54 -1.844 -3.085 -0.072
334 H GLY 55 H GLY 55 -6.237 -0.220 -0.908
335 1HA GLY 55 1HA GLY 55 -5.016 1.988 -0.957
336 2HA GLY 55 2HA GLY 55 -6.598 2.002 -0.202
337 H ILE 56 H ILE 56 -3.098 2.150 0.324
338 HA ILE 56 HA ILE 56 -3.102 1.978 3.112
339 HB ILE 56 HB ILE 56 -1.256 2.375 1.022
340 2HG1 ILE 56 2HG1 ILE 56 -0.650 2.126 3.977
341 1HG2 ILE 56 1HG2 ILE 56 -1.558 4.839 1.750
342 2HG2 ILE 56 2HG2 ILE 56 -0.643 4.358 3.199
343 3HG2 ILE 56 3HG2 ILE 56 0.089 4.183 1.586
344 1HD1 ILE 56 1HD1 ILE 56 -1.719 0.121 1.963
345 2HD1 ILE 56 2HD1 ILE 56 -0.692 -0.399 3.321
346 3HD1 ILE 56 3HD1 ILE 56 -2.248 0.404 3.638
347 H VAL 57 H VAL 57 -4.604 4.232 1.077
348 HA VAL 57 HA VAL 57 -4.414 6.316 3.137
349 HB VAL 57 HB VAL 57 -5.645 7.210 0.714
350 1HG1 VAL 57 1HG1 VAL 57 -3.096 7.855 2.210
351 2HG1 VAL 57 2HG1 VAL 57 -3.571 8.712 0.724
352 3HG1 VAL 57 3HG1 VAL 57 -4.620 8.773 2.161
353 1HG2 VAL 57 1HG2 VAL 57 -2.994 5.779 0.347
354 2HG2 VAL 57 2HG2 VAL 57 -4.534 5.441 -0.481
355 3HG2 VAL 57 3HG2 VAL 57 -3.665 6.961 -0.803
356 H ASP 58 H ASP 58 -6.603 4.385 1.028
357 HA ASP 58 HA ASP 58 -8.854 5.484 2.458
358 2HB ASP 58 2HB ASP 58 -9.725 3.433 0.700
359 H GLU 59 H GLU 59 -6.938 2.492 1.959
360 HA GLU 59 HA GLU 59 -8.767 0.914 3.483
361 2HB GLU 59 2HB GLU 59 -5.973 0.013 2.778
362 2HG GLU 59 2HG GLU 59 -7.917 -1.849 1.968
363 H CYS 60 H CYS 60 -5.945 2.925 4.027
364 HA CYS 60 HA CYS 60 -5.386 1.663 6.569
365 2HB CYS 60 2HB CYS 60 -4.036 4.187 5.780
366 H CYS 61 H CYS 61 -6.714 4.684 5.116
367 HA CYS 61 HA CYS 61 -6.965 6.157 7.432
368 2HB CYS 61 2HB CYS 61 -9.077 7.045 6.036
369 H PHE 62 H PHE 62 -8.998 3.581 5.964
370 HA PHE 62 HA PHE 62 -11.111 3.927 7.851
371 2HB PHE 62 2HB PHE 62 -10.285 1.685 5.910
372 HD1 PHE 62 HD1 PHE 62 -13.355 3.226 7.398
373 HD2 PHE 62 HD2 PHE 62 -11.364 -0.319 6.185
374 HE1 PHE 62 HE1 PHE 62 -15.337 1.867 8.120
375 HE2 PHE 62 HE2 PHE 62 -13.346 -1.679 6.907
376 HZ PHE 62 HZ PHE 62 -15.309 -0.570 7.866
377 H ARG 63 H ARG 63 -8.286 1.728 7.440
378 HA ARG 63 HA ARG 63 -9.016 0.542 9.990
379 2HB ARG 63 2HB ARG 63 -6.760 -0.742 8.616
380 2HG ARG 63 2HG ARG 63 -9.054 -1.447 10.172
381 2HD ARG 63 2HD ARG 63 -8.928 -2.905 7.487
382 HE ARG 63 HE ARG 63 -10.172 -3.613 10.063
383 1HH1 ARG 63 1HH1 ARG 63 -10.167 -4.107 6.579
384 2HH1 ARG 63 2HH1 ARG 63 -10.981 -5.633 6.666
385 1HH2 ARG 63 1HH2 ARG 63 -11.244 -5.628 10.179
386 2HH2 ARG 63 2HH2 ARG 63 -11.597 -6.505 8.728
387 H SER 64 H SER 64 -8.120 2.094 11.437
388 HA SER 64 HA SER 64 -5.967 3.580 11.239
389 2HB SER 64 2HB SER 64 -7.332 3.611 13.239
390 HG SER 64 HG SER 64 -7.905 1.587 13.822
391 H CYS 65 H CYS 65 -4.154 2.850 10.083
392 HA CYS 65 HA CYS 65 -2.635 0.753 11.436
393 2HB CYS 65 2HB CYS 65 -3.473 -0.457 9.634
394 H ASP 66 H ASP 66 -1.171 2.224 12.380
395 HA ASP 66 HA ASP 66 -0.318 4.560 11.432
396 2HB ASP 66 2HB ASP 66 1.941 3.928 12.599
397 H LEU 67 H LEU 67 2.470 2.436 11.520
398 HA LEU 67 HA LEU 67 2.939 2.978 8.691
399 2HB LEU 67 2HB LEU 67 4.594 3.716 10.353
400 HG LEU 67 HG LEU 67 4.437 1.783 11.946
401 1HD1 LEU 67 1HD1 LEU 67 5.242 0.323 9.555
402 2HD1 LEU 67 2HD1 LEU 67 6.292 -0.020 10.951
403 3HD1 LEU 67 3HD1 LEU 67 4.533 -0.266 11.078
404 1HD2 LEU 67 1HD2 LEU 67 6.574 3.402 11.313
405 2HD2 LEU 67 2HD2 LEU 67 6.435 2.366 12.753
406 3HD2 LEU 67 3HD2 LEU 67 7.294 1.775 11.312
407 H ARG 68 H ARG 68 2.281 0.405 11.028
408 HA ARG 68 HA ARG 68 3.244 -1.789 10.017
409 2HB ARG 68 2HB ARG 68 0.306 -2.081 10.308
410 2HG ARG 68 2HG ARG 68 1.225 -3.353 12.418
411 2HD ARG 68 2HD ARG 68 1.756 -4.086 9.516
412 HE ARG 68 HE ARG 68 3.277 -5.621 10.452
413 1HH1 ARG 68 1HH1 ARG 68 0.361 -5.479 12.416
414 2HH1 ARG 68 2HH1 ARG 68 0.791 -6.852 13.381
415 1HH2 ARG 68 1HH2 ARG 68 3.845 -7.432 11.725
416 2HH2 ARG 68 2HH2 ARG 68 2.786 -7.970 12.985
417 H ARG 69 H ARG 69 0.610 0.150 8.520
418 HA ARG 69 HA ARG 69 0.056 -1.746 6.531
419 2HB ARG 69 2HB ARG 69 -0.516 1.085 5.848
420 2HG ARG 69 2HG ARG 69 -1.682 -0.970 4.909
421 2HD ARG 69 2HD ARG 69 -2.254 -1.319 7.807
422 HE ARG 69 HE ARG 69 -4.498 -0.688 6.313
423 1HH1 ARG 69 1HH1 ARG 69 -3.325 -3.647 7.814
424 2HH1 ARG 69 2HH1 ARG 69 -4.911 -4.292 8.079
425 1HH2 ARG 69 1HH2 ARG 69 -6.590 -1.538 6.664
426 2HH2 ARG 69 2HH2 ARG 69 -6.780 -3.084 7.421
427 H LEU 70 H LEU 70 2.059 1.262 6.715
428 HA LEU 70 HA LEU 70 2.761 1.622 4.138
429 2HB LEU 70 2HB LEU 70 3.683 2.416 6.673
430 HG LEU 70 HG LEU 70 6.112 2.838 6.035
431 1HD1 LEU 70 1HD1 LEU 70 5.123 1.196 7.805
432 2HD1 LEU 70 2HD1 LEU 70 5.689 -0.064 6.682
433 3HD1 LEU 70 3HD1 LEU 70 6.847 1.102 7.369
434 1HD2 LEU 70 1HD2 LEU 70 5.456 1.554 3.702
435 2HD2 LEU 70 2HD2 LEU 70 7.108 1.828 4.305
436 3HD2 LEU 70 3HD2 LEU 70 6.295 0.276 4.614
437 H GLU 71 H GLU 71 3.964 -0.908 6.389
438 HA GLU 71 HA GLU 71 5.773 -1.869 4.393
439 2HB GLU 71 2HB GLU 71 6.360 -1.947 6.803
440 2HG GLU 71 2HG GLU 71 3.855 -3.642 6.895
441 H MET 72 H MET 72 2.470 -2.430 5.474
442 HA MET 72 HA MET 72 2.208 -5.057 4.614
443 2HB MET 72 2HB MET 72 -0.310 -4.239 4.418
444 2HG MET 72 2HG MET 72 -0.139 -3.661 7.071
445 1HE MET 72 1HE MET 72 2.009 -6.562 6.771
446 2HE MET 72 2HE MET 72 0.989 -7.981 6.433
447 3HE MET 72 3HE MET 72 1.464 -6.892 5.109
448 H TYR 73 H TYR 73 1.551 -1.902 2.956
449 HA TYR 73 HA TYR 73 0.989 -3.337 0.489
450 2HB TYR 73 2HB TYR 73 1.195 -0.319 0.951
451 HD1 TYR 73 HD1 TYR 73 0.778 -2.787 -1.360
452 HD2 TYR 73 HD2 TYR 73 -1.321 0.631 0.132
453 HE1 TYR 73 HE1 TYR 73 -0.490 -2.598 -3.555
454 HE2 TYR 73 HE2 TYR 73 -2.581 0.808 -2.068
455 HH TYR 73 HH TYR 73 -2.153 0.129 -4.446
456 H CYS 74 H CYS 74 3.549 -1.501 2.098
457 HA CYS 74 HA CYS 74 5.083 -0.301 0.499
458 2HB CYS 74 2HB CYS 74 6.767 -2.491 1.290
459 H ALA 75 H ALA 75 3.445 -1.518 -1.377
460 HA ALA 75 HA ALA 75 4.629 -3.736 -2.653
461 1HB ALA 75 1HB ALA 75 2.327 -2.012 -2.933
462 2HB ALA 75 2HB ALA 75 3.117 -2.212 -4.515
463 3HB ALA 75 3HB ALA 75 2.592 -3.643 -3.594
464 HA PRO 76 HA PRO 76 7.732 -1.809 -4.968
465 2HB PRO 76 2HB PRO 76 8.633 -3.832 -5.601
466 2HG PRO 76 2HG PRO 76 7.156 -5.603 -5.544
467 2HD PRO 76 2HD PRO 76 5.637 -4.819 -4.008
468 H LEU 77 H LEU 77 8.364 -1.192 -7.423
469 HA LEU 77 HA LEU 77 6.133 -0.443 -8.980
470 2HB LEU 77 2HB LEU 77 7.272 2.092 -8.265
471 HG LEU 77 HG LEU 77 4.893 1.420 -9.201
472 1HD1 LEU 77 1HD1 LEU 77 4.642 1.028 -6.251
473 2HD1 LEU 77 2HD1 LEU 77 3.295 1.801 -7.121
474 3HD1 LEU 77 3HD1 LEU 77 3.847 0.177 -7.597
475 1HD2 LEU 77 1HD2 LEU 77 5.781 3.705 -8.935
476 2HD2 LEU 77 2HD2 LEU 77 4.049 3.593 -8.537
477 3HD2 LEU 77 3HD2 LEU 77 5.257 3.697 -7.234
478 H LYS 78 H LYS 78 7.251 1.708 -10.401
479 HA LYS 78 HA LYS 78 9.444 0.311 -11.667
480 2HB LYS 78 2HB LYS 78 8.655 2.881 -12.817
481 2HG LYS 78 2HG LYS 78 7.933 0.496 -14.317
482 2HD LYS 78 2HD LYS 78 9.924 2.763 -14.520
483 2HE LYS 78 2HE LYS 78 11.050 0.593 -15.297
484 1HZ LYS 78 1HZ LYS 78 8.710 0.659 -17.025
485 2HZ LYS 78 2HZ LYS 78 10.112 0.058 -17.607
486 3HZ LYS 78 3HZ LYS 78 9.416 -0.620 -16.295
487 HA PRO 79 HA PRO 79 12.527 2.844 -10.027
488 2HB PRO 79 2HB PRO 79 14.193 1.457 -10.804
489 2HG PRO 79 2HG PRO 79 13.593 0.148 -12.605
490 2HD PRO 79 2HD PRO 79 11.312 0.081 -12.320
491 H ALA 80 H ALA 80 12.347 3.596 -13.482
492 HA ALA 80 HA ALA 80 11.520 6.260 -12.884
493 1HB ALA 80 1HB ALA 80 14.322 5.715 -12.898
494 2HB ALA 80 2HB ALA 80 13.946 6.603 -14.393
495 3HB ALA 80 3HB ALA 80 13.509 7.296 -12.812
496 H LYS 81 H LYS 81 10.941 7.425 -14.858
497 HA LYS 81 HA LYS 81 11.405 6.474 -17.409
498 2HB LYS 81 2HB LYS 81 8.615 5.703 -17.020
499 2HG LYS 81 2HG LYS 81 10.903 3.965 -17.990
500 2HD LYS 81 2HD LYS 81 8.000 4.378 -18.846
501 2HE LYS 81 2HE LYS 81 9.979 3.672 -20.570
502 1HZ LYS 81 1HZ LYS 81 10.096 1.646 -18.858
503 2HZ LYS 81 2HZ LYS 81 9.039 1.044 -19.947
504 3HZ LYS 81 3HZ LYS 81 10.521 1.534 -20.431
505 H SER 82 H SER 82 11.325 8.927 -15.930
506 HA SER 82 HA SER 82 9.328 10.498 -15.776
507 2HB SER 82 2HB SER 82 11.937 10.928 -17.212
508 HG SER 82 HG SER 82 10.279 13.193 -16.725
509 H ALA 83 H ALA 83 10.729 9.822 -19.074
510 HA ALA 83 HA ALA 83 8.384 10.920 -20.328
511 1HB ALA 83 1HB ALA 83 10.981 10.842 -21.033
512 2HB ALA 83 2HB ALA 83 10.432 9.358 -21.848
513 3HB ALA 83 3HB ALA 83 9.668 10.919 -22.233
Start of MODEL 11
1 H MET 1 H MET 1 -2.133 13.999 -6.031
2 HA MET 1 HA MET 1 -0.517 11.726 -6.123
3 2HB MET 1 2HB MET 1 -3.382 11.593 -7.056
4 2HG MET 1 2HG MET 1 -2.975 10.168 -4.639
5 1HE MET 1 1HE MET 1 -4.098 8.362 -4.552
6 2HE MET 1 2HE MET 1 -5.429 8.868 -5.620
7 3HE MET 1 3HE MET 1 -4.676 7.270 -5.833
8 H PHE 2 H PHE 2 0.841 12.361 -8.054
9 HA PHE 2 HA PHE 2 1.462 11.878 -10.122
10 2HB PHE 2 2HB PHE 2 -1.177 10.812 -11.042
11 HD1 PHE 2 HD1 PHE 2 1.965 9.336 -9.651
12 HD2 PHE 2 HD2 PHE 2 -0.559 9.824 -13.027
13 HE1 PHE 2 HE1 PHE 2 3.457 7.822 -10.985
14 HE2 PHE 2 HE2 PHE 2 0.933 8.310 -14.361
15 HZ PHE 2 HZ PHE 2 2.923 7.327 -13.324
16 HA PRO 3 HA PRO 3 -0.183 15.132 -12.457
17 2HB PRO 3 2HB PRO 3 1.793 15.417 -13.605
18 2HG PRO 3 2HG PRO 3 3.151 13.552 -13.662
19 2HD PRO 3 2HD PRO 3 2.411 12.451 -11.784
20 H ALA 4 H ALA 4 -0.341 12.162 -14.372
21 HA ALA 4 HA ALA 4 -2.121 12.478 -16.163
22 1HB ALA 4 1HB ALA 4 -1.359 10.319 -14.797
23 2HB ALA 4 2HB ALA 4 -2.994 10.468 -14.109
24 3HB ALA 4 3HB ALA 4 -2.782 10.282 -15.867
25 H MET 5 H MET 5 -3.290 12.225 -12.724
26 HA MET 5 HA MET 5 -5.685 13.611 -13.602
27 2HB MET 5 2HB MET 5 -5.691 12.773 -10.800
28 2HG MET 5 2HG MET 5 -7.463 12.813 -12.970
29 1HE MET 5 1HE MET 5 -9.345 10.676 -11.902
30 2HE MET 5 2HE MET 5 -9.233 9.164 -12.835
31 3HE MET 5 3HE MET 5 -8.429 9.294 -11.252
32 HA PRO 6 HA PRO 6 -3.871 17.108 -11.606
33 2HB PRO 6 2HB PRO 6 -4.028 18.433 -13.484
34 2HG PRO 6 2HG PRO 6 -5.388 17.590 -15.146
35 2HD PRO 6 2HD PRO 6 -5.307 15.348 -14.642
36 H LEU 7 H LEU 7 -4.834 15.811 -9.718
37 HA LEU 7 HA LEU 7 -6.698 17.675 -8.490
38 2HB LEU 7 2HB LEU 7 -7.495 15.002 -7.821
39 HG LEU 7 HG LEU 7 -9.692 15.664 -8.487
40 1HD1 LEU 7 1HD1 LEU 7 -8.211 17.981 -7.217
41 2HD1 LEU 7 2HD1 LEU 7 -9.981 17.792 -7.245
42 3HD1 LEU 7 3HD1 LEU 7 -8.972 16.602 -6.388
43 1HD2 LEU 7 1HD2 LEU 7 -8.425 17.062 -10.534
44 2HD2 LEU 7 2HD2 LEU 7 -10.171 17.014 -10.189
45 3HD2 LEU 7 3HD2 LEU 7 -9.168 18.327 -9.526
46 H SER 8 H SER 8 -7.053 16.676 -6.051
47 HA SER 8 HA SER 8 -4.737 15.369 -5.084
48 2HB SER 8 2HB SER 8 -3.630 17.100 -3.972
49 HG SER 8 HG SER 8 -4.837 18.508 -6.200
50 H SER 9 H SER 9 -7.200 14.403 -4.849
51 HA SER 9 HA SER 9 -8.102 15.286 -2.218
52 2HB SER 9 2HB SER 9 -10.217 13.833 -3.224
53 HG SER 9 HG SER 9 -10.388 16.411 -4.161
54 H LEU 10 H LEU 10 -7.693 13.831 -0.595
55 HA LEU 10 HA LEU 10 -7.700 11.839 0.444
56 2HB LEU 10 2HB LEU 10 -7.663 10.152 -1.983
57 HG LEU 10 HG LEU 10 -9.057 10.122 0.673
58 1HD1 LEU 10 1HD1 LEU 10 -10.804 9.888 -1.128
59 2HD1 LEU 10 2HD1 LEU 10 -9.967 8.405 -1.644
60 3HD1 LEU 10 3HD1 LEU 10 -10.664 8.510 -0.010
61 1HD2 LEU 10 1HD2 LEU 10 -6.891 8.970 0.356
62 2HD2 LEU 10 2HD2 LEU 10 -8.216 7.860 0.783
63 3HD2 LEU 10 3HD2 LEU 10 -7.639 7.954 -0.899
64 H PHE 11 H PHE 11 -5.496 13.504 -0.799
65 HA PHE 11 HA PHE 11 -3.386 11.758 -0.067
66 2HB PHE 11 2HB PHE 11 -3.670 12.742 -2.971
67 HD1 PHE 11 HD1 PHE 11 -2.018 9.702 -1.715
68 HD2 PHE 11 HD2 PHE 11 -1.459 13.613 -3.263
69 HE1 PHE 11 HE1 PHE 11 0.419 9.214 -2.069
70 HE2 PHE 11 HE2 PHE 11 0.978 13.126 -3.616
71 HZ PHE 11 HZ PHE 11 1.887 10.931 -3.015
72 H VAL 12 H VAL 12 -4.642 14.462 0.502
73 HA VAL 12 HA VAL 12 -2.949 16.463 -0.503
74 HB VAL 12 HB VAL 12 -5.089 16.154 1.468
75 1HG1 VAL 12 1HG1 VAL 12 -2.755 17.948 2.055
76 2HG1 VAL 12 2HG1 VAL 12 -4.401 18.505 2.445
77 3HG1 VAL 12 3HG1 VAL 12 -3.775 17.001 3.166
78 1HG2 VAL 12 1HG2 VAL 12 -4.313 17.899 -0.782
79 2HG2 VAL 12 2HG2 VAL 12 -5.917 17.313 -0.280
80 3HG2 VAL 12 3HG2 VAL 12 -5.191 18.723 0.528
81 H ASN 13 H ASN 13 -0.763 15.845 -0.351
82 HA ASN 13 HA ASN 13 0.288 14.872 2.063
83 2HB ASN 13 2HB ASN 13 2.037 16.263 0.027
84 1HD2 ASN 13 2HD2 ASN 13 2.711 13.362 -0.656
85 2HD2 ASN 13 1HD2 ASN 13 3.752 12.831 0.622
86 H GLY 14 H GLY 14 -0.001 18.066 0.435
87 1HA GLY 14 1HA GLY 14 1.764 19.638 1.793
88 2HA GLY 14 2HA GLY 14 0.187 20.162 1.240
89 HA PRO 15 HA PRO 15 -0.843 20.623 5.438
90 2HB PRO 15 2HB PRO 15 -2.284 22.356 4.963
91 2HG PRO 15 2HG PRO 15 -2.999 22.440 2.772
92 2HD PRO 15 2HD PRO 15 -1.279 21.319 1.738
93 H ARG 16 H ARG 16 -1.524 19.520 7.258
94 HA ARG 16 HA ARG 16 -2.329 16.856 6.562
95 2HB ARG 16 2HB ARG 16 -2.137 16.753 9.263
96 2HG ARG 16 2HG ARG 16 -0.412 16.192 7.073
97 2HD ARG 16 2HD ARG 16 1.810 16.576 8.412
98 HE ARG 16 HE ARG 16 0.615 18.102 6.404
99 1HH1 ARG 16 1HH1 ARG 16 2.764 18.777 9.107
100 2HH1 ARG 16 2HH1 ARG 16 3.528 20.123 8.329
101 1HH2 ARG 16 1HH2 ARG 16 1.622 19.877 5.377
102 2HH2 ARG 16 2HH2 ARG 16 2.874 20.753 6.193
103 H THR 17 H THR 17 -4.325 18.855 6.053
104 HA THR 17 HA THR 17 -6.202 18.542 8.286
105 HB THR 17 HB THR 17 -5.472 20.804 7.021
106 HG1 THR 17 HG1 THR 17 -8.240 19.969 7.532
107 1HG2 THR 17 1HG2 THR 17 -6.241 19.970 4.751
108 2HG2 THR 17 2HG2 THR 17 -7.881 19.791 5.420
109 3HG2 THR 17 3HG2 THR 17 -7.138 21.404 5.303
110 H LEU 18 H LEU 18 -5.298 16.988 5.442
111 HA LEU 18 HA LEU 18 -7.998 16.341 4.632
112 2HB LEU 18 2HB LEU 18 -5.615 14.941 3.532
113 HG LEU 18 HG LEU 18 -6.685 15.001 1.493
114 1HD1 LEU 18 1HD1 LEU 18 -8.629 14.689 3.732
115 2HD1 LEU 18 2HD1 LEU 18 -9.265 14.734 2.070
116 3HD1 LEU 18 3HD1 LEU 18 -8.058 13.508 2.530
117 1HD2 LEU 18 1HD2 LEU 18 -7.090 17.604 1.883
118 2HD2 LEU 18 2HD2 LEU 18 -7.938 16.684 0.615
119 3HD2 LEU 18 3HD2 LEU 18 -8.756 17.037 2.156
120 H CYS 19 H CYS 19 -6.739 13.525 3.950
121 HA CYS 19 HA CYS 19 -7.735 12.344 6.389
122 2HB CYS 19 2HB CYS 19 -6.763 10.542 4.290
123 H GLY 20 H GLY 20 -4.994 13.817 5.902
124 1HA GLY 20 1HA GLY 20 -3.109 13.521 7.241
125 2HA GLY 20 2HA GLY 20 -3.392 11.793 7.288
126 H ALA 21 H ALA 21 -1.023 13.622 6.412
127 HA ALA 21 HA ALA 21 -0.756 12.705 3.650
128 1HB ALA 21 1HB ALA 21 0.756 14.716 5.360
129 2HB ALA 21 2HB ALA 21 1.253 14.248 3.717
130 3HB ALA 21 3HB ALA 21 -0.314 15.050 3.978
131 H GLU 22 H GLU 22 -0.291 11.482 6.693
132 HA GLU 22 HA GLU 22 2.370 10.598 6.484
133 2HB GLU 22 2HB GLU 22 0.194 9.282 8.150
134 2HG GLU 22 2HG GLU 22 3.168 9.820 8.602
135 H LEU 23 H LEU 23 -0.846 8.964 6.033
136 HA LEU 23 HA LEU 23 -0.317 6.481 5.491
137 2HB LEU 23 2HB LEU 23 -2.437 6.822 4.929
138 HG LEU 23 HG LEU 23 -3.257 8.758 3.493
139 1HD1 LEU 23 1HD1 LEU 23 -2.806 8.527 6.246
140 2HD1 LEU 23 2HD1 LEU 23 -2.278 10.173 5.820
141 3HD1 LEU 23 3HD1 LEU 23 -3.927 9.635 5.420
142 1HD2 LEU 23 1HD2 LEU 23 -0.875 9.275 2.691
143 2HD2 LEU 23 2HD2 LEU 23 -1.928 10.646 3.117
144 3HD2 LEU 23 3HD2 LEU 23 -0.668 10.105 4.252
145 H VAL 24 H VAL 24 0.631 9.172 3.282
146 HA VAL 24 HA VAL 24 1.917 7.317 1.494
147 HB VAL 24 HB VAL 24 1.039 9.049 0.314
148 1HG1 VAL 24 1HG1 VAL 24 1.460 10.604 2.810
149 2HG1 VAL 24 2HG1 VAL 24 1.511 11.526 1.289
150 3HG1 VAL 24 3HG1 VAL 24 0.071 10.564 1.700
151 1HG2 VAL 24 1HG2 VAL 24 3.874 9.189 0.676
152 2HG2 VAL 24 2HG2 VAL 24 2.910 9.601 -0.762
153 3HG2 VAL 24 3HG2 VAL 24 3.252 10.843 0.466
154 H ASP 25 H ASP 25 2.866 9.868 3.883
155 HA ASP 25 HA ASP 25 5.594 9.530 3.465
156 2HB ASP 25 2HB ASP 25 4.841 10.293 6.213
157 H ALA 26 H ALA 26 3.215 7.497 4.864
158 HA ALA 26 HA ALA 26 4.873 6.366 6.924
159 1HB ALA 26 1HB ALA 26 2.227 6.612 6.693
160 2HB ALA 26 2HB ALA 26 2.393 5.039 5.875
161 3HB ALA 26 3HB ALA 26 2.959 5.235 7.552
162 H LEU 27 H LEU 27 3.460 5.243 3.766
163 HA LEU 27 HA LEU 27 4.668 2.796 3.666
164 2HB LEU 27 2HB LEU 27 4.447 3.005 1.212
165 HG LEU 27 HG LEU 27 2.254 3.427 3.086
166 1HD1 LEU 27 1HD1 LEU 27 2.144 5.422 1.369
167 2HD1 LEU 27 2HD1 LEU 27 1.485 4.167 0.291
168 3HD1 LEU 27 3HD1 LEU 27 0.679 4.526 1.838
169 1HD2 LEU 27 1HD2 LEU 27 2.987 1.309 1.870
170 2HD2 LEU 27 2HD2 LEU 27 1.243 1.664 1.905
171 3HD2 LEU 27 3HD2 LEU 27 2.189 1.990 0.432
172 H GLN 28 H GLN 28 6.001 6.007 2.690
173 HA GLN 28 HA GLN 28 8.467 4.784 1.940
174 2HB GLN 28 2HB GLN 28 8.234 7.752 2.349
175 2HG GLN 28 2HG GLN 28 10.147 6.259 1.198
176 1HE2 GLN 28 2HE2 GLN 28 9.539 4.422 0.109
177 2HE2 GLN 28 1HE2 GLN 28 8.948 4.420 -1.519
178 H PHE 29 H PHE 29 6.985 5.955 4.851
179 HA PHE 29 HA PHE 29 9.174 6.961 6.218
180 2HB PHE 29 2HB PHE 29 6.501 5.675 6.771
181 HD1 PHE 29 HD1 PHE 29 9.610 6.412 8.669
182 HD2 PHE 29 HD2 PHE 29 5.716 4.728 8.757
183 HE1 PHE 29 HE1 PHE 29 10.067 5.476 10.953
184 HE2 PHE 29 HE2 PHE 29 6.172 3.793 11.041
185 HZ PHE 29 HZ PHE 29 8.341 4.178 12.112
186 H VAL 30 H VAL 30 8.085 3.595 5.632
187 HA VAL 30 HA VAL 30 10.256 2.629 7.329
188 HB VAL 30 HB VAL 30 8.237 0.919 5.914
189 1HG1 VAL 30 1HG1 VAL 30 10.244 0.604 8.019
190 2HG1 VAL 30 2HG1 VAL 30 8.643 -0.005 8.502
191 3HG1 VAL 30 3HG1 VAL 30 9.423 -0.623 7.026
192 1HG2 VAL 30 1HG2 VAL 30 7.771 2.641 8.355
193 2HG2 VAL 30 2HG2 VAL 30 6.773 2.488 6.890
194 3HG2 VAL 30 3HG2 VAL 30 6.847 1.149 8.060
195 H CYS 31 H CYS 31 9.247 3.083 3.980
196 HA CYS 31 HA CYS 31 11.360 1.325 3.053
197 2HB CYS 31 2HB CYS 31 10.074 2.735 0.923
198 H GLY 32 H GLY 32 10.562 4.699 3.684
199 1HA GLY 32 1HA GLY 32 13.097 5.694 3.593
200 2HA GLY 32 2HA GLY 32 12.541 5.832 1.937
201 H ASP 33 H ASP 33 12.563 7.301 5.026
202 HA ASP 33 HA ASP 33 10.134 8.522 5.169
203 2HB ASP 33 2HB ASP 33 11.636 10.460 6.228
204 H ARG 34 H ARG 34 11.006 8.454 2.365
205 HA ARG 34 HA ARG 34 11.540 11.252 1.832
206 2HB ARG 34 2HB ARG 34 12.254 10.558 -0.376
207 2HG ARG 34 2HG ARG 34 13.350 8.108 0.690
208 2HD ARG 34 2HD ARG 34 14.291 10.283 -0.669
209 HE ARG 34 HE ARG 34 14.876 11.897 0.908
210 1HH1 ARG 34 1HH1 ARG 34 15.435 8.714 2.301
211 2HH1 ARG 34 2HH1 ARG 34 16.138 9.334 3.758
212 1HH2 ARG 34 1HH2 ARG 34 15.803 12.716 2.831
213 2HH2 ARG 34 2HH2 ARG 34 16.349 11.625 4.060
214 H GLY 35 H GLY 35 8.959 9.106 2.187
215 1HA GLY 35 1HA GLY 35 6.737 9.619 1.884
216 2HA GLY 35 2HA GLY 35 7.161 10.891 0.756
217 H PHE 36 H PHE 36 5.643 7.953 0.955
218 HA PHE 36 HA PHE 36 6.415 7.247 -1.790
219 2HB PHE 36 2HB PHE 36 5.637 5.695 0.720
220 HD1 PHE 36 HD1 PHE 36 3.321 5.124 -0.211
221 HD2 PHE 36 HD2 PHE 36 6.928 3.824 -2.028
222 HE1 PHE 36 HE1 PHE 36 2.063 3.315 -1.414
223 HE2 PHE 36 HE2 PHE 36 5.671 2.015 -3.230
224 HZ PHE 36 HZ PHE 36 3.254 1.782 -2.908
225 H TYR 37 H TYR 37 4.790 7.026 -3.323
226 HA TYR 37 HA TYR 37 2.344 8.288 -2.821
227 2HB TYR 37 2HB TYR 37 3.762 7.762 -5.000
228 HD1 TYR 37 HD1 TYR 37 4.487 5.217 -3.840
229 HD2 TYR 37 HD2 TYR 37 1.405 6.093 -6.675
230 HE1 TYR 37 HE1 TYR 37 4.602 2.832 -4.713
231 HE2 TYR 37 HE2 TYR 37 1.530 3.704 -7.538
232 HH TYR 37 HH TYR 37 2.825 1.269 -5.914
233 H PHE 38 H PHE 38 0.877 6.106 -4.494
234 HA PHE 38 HA PHE 38 0.482 4.094 -2.442
235 2HB PHE 38 2HB PHE 38 -2.066 4.608 -2.721
236 HD1 PHE 38 HD1 PHE 38 -1.211 4.276 -0.313
237 HD2 PHE 38 HD2 PHE 38 -1.141 8.017 -2.316
238 HE1 PHE 38 HE1 PHE 38 -1.049 5.455 1.897
239 HE2 PHE 38 HE2 PHE 38 -0.980 9.196 -0.106
240 HZ PHE 38 HZ PHE 38 -0.936 7.902 1.974
241 H ASN 39 H ASN 39 -2.251 4.352 -4.426
242 HA ASN 39 HA ASN 39 -1.682 1.998 -5.747
243 2HB ASN 39 2HB ASN 39 -3.630 4.043 -6.873
244 1HD2 ASN 39 2HD2 ASN 39 -5.537 3.043 -7.626
245 2HD2 ASN 39 1HD2 ASN 39 -5.573 1.375 -8.094
246 H LYS 40 H LYS 40 -1.259 1.638 -8.083
247 HA LYS 40 HA LYS 40 0.226 3.866 -9.256
248 2HB LYS 40 2HB LYS 40 1.286 1.577 -8.801
249 2HG LYS 40 2HG LYS 40 0.094 0.782 -11.456
250 2HD LYS 40 2HD LYS 40 1.940 -0.336 -9.652
251 2HE LYS 40 2HE LYS 40 -0.774 -1.724 -9.465
252 1HZ LYS 40 1HZ LYS 40 1.887 -2.653 -8.632
253 2HZ LYS 40 2HZ LYS 40 0.476 -3.404 -8.298
254 3HZ LYS 40 3HZ LYS 40 0.995 -3.291 -9.842
255 HA PRO 41 HA PRO 41 -2.657 4.299 -12.436
256 2HB PRO 41 2HB PRO 41 -1.566 6.126 -13.314
257 2HG PRO 41 2HG PRO 41 0.688 6.224 -12.836
258 2HD PRO 41 2HD PRO 41 0.753 4.958 -10.918
259 H THR 42 H THR 42 -0.117 2.033 -12.936
260 HA THR 42 HA THR 42 -0.653 0.855 -15.267
261 HB THR 42 HB THR 42 -0.417 -0.755 -12.686
262 HG1 THR 42 HG1 THR 42 1.479 0.900 -14.200
263 1HG2 THR 42 1HG2 THR 42 -0.369 -1.919 -14.975
264 2HG2 THR 42 2HG2 THR 42 1.078 -0.953 -15.348
265 3HG2 THR 42 3HG2 THR 42 1.111 -2.123 -14.007
266 H GLY 43 H GLY 43 -2.817 0.859 -12.439
267 1HA GLY 43 1HA GLY 43 -4.554 -1.113 -12.799
268 2HA GLY 43 2HA GLY 43 -5.072 0.525 -12.459
269 H TYR 44 H TYR 44 -6.053 -1.868 -14.269
270 HA TYR 44 HA TYR 44 -6.963 -0.135 -16.390
271 2HB TYR 44 2HB TYR 44 -5.697 -2.820 -17.096
272 HD1 TYR 44 HD1 TYR 44 -5.513 0.797 -18.115
273 HD2 TYR 44 HD2 TYR 44 -6.216 -3.250 -19.307
274 HE1 TYR 44 HE1 TYR 44 -5.869 1.558 -20.515
275 HE2 TYR 44 HE2 TYR 44 -6.570 -2.476 -21.702
276 HH TYR 44 HH TYR 44 -6.233 0.959 -22.554
277 H GLY 45 H GLY 45 -9.042 -0.648 -16.943
278 1HA GLY 45 1HA GLY 45 -10.687 -2.215 -15.544
279 2HA GLY 45 2HA GLY 45 -10.894 -1.925 -17.260
280 H SER 46 H SER 46 -9.414 -3.384 -18.744
281 HA SER 46 HA SER 46 -10.003 -6.054 -17.946
282 2HB SER 46 2HB SER 46 -8.611 -5.002 -20.450
283 HG SER 46 HG SER 46 -8.374 -7.325 -20.068
284 H SER 47 H SER 47 -8.427 -5.784 -16.007
285 HA SER 47 HA SER 47 -6.054 -7.147 -16.697
286 2HB SER 47 2HB SER 47 -5.785 -4.319 -15.582
287 HG SER 47 HG SER 47 -4.041 -5.345 -14.734
288 H SER 48 H SER 48 -6.037 -8.676 -15.094
289 HA SER 48 HA SER 48 -7.268 -8.000 -12.587
290 2HB SER 48 2HB SER 48 -6.004 -10.676 -12.932
291 HG SER 48 HG SER 48 -7.926 -11.351 -12.005
292 H ARG 49 H ARG 49 -6.039 -7.090 -10.983
293 HA ARG 49 HA ARG 49 -3.603 -8.318 -10.273
294 2HB ARG 49 2HB ARG 49 -3.504 -5.446 -11.329
295 2HG ARG 49 2HG ARG 49 -2.012 -6.029 -9.310
296 2HD ARG 49 2HD ARG 49 -1.210 -8.211 -9.606
297 HE ARG 49 HE ARG 49 -0.707 -7.730 -12.524
298 1HH1 ARG 49 1HH1 ARG 49 -2.132 -9.629 -9.926
299 2HH1 ARG 49 2HH1 ARG 49 -2.669 -10.898 -10.976
300 1HH2 ARG 49 1HH2 ARG 49 -1.416 -9.404 -13.910
301 2HH2 ARG 49 2HH2 ARG 49 -2.259 -10.769 -13.257
302 H ARG 50 H ARG 50 -4.336 -8.495 -8.139
303 HA ARG 50 HA ARG 50 -5.993 -7.023 -6.773
304 2HB ARG 50 2HB ARG 50 -4.876 -8.951 -5.769
305 2HG ARG 50 2HG ARG 50 -2.386 -7.333 -5.219
306 2HD ARG 50 2HD ARG 50 -3.174 -9.834 -4.442
307 HE ARG 50 HE ARG 50 -2.962 -11.222 -6.306
308 1HH1 ARG 50 1HH1 ARG 50 -0.411 -8.801 -6.405
309 2HH1 ARG 50 2HH1 ARG 50 0.372 -9.497 -7.786
310 1HH2 ARG 50 1HH2 ARG 50 -1.931 -12.142 -8.127
311 2HH2 ARG 50 2HH2 ARG 50 -0.499 -11.410 -8.771
312 H ALA 51 H ALA 51 -6.217 -4.806 -6.646
313 HA ALA 51 HA ALA 51 -3.836 -3.285 -5.874
314 1HB ALA 51 1HB ALA 51 -4.773 -3.269 -8.450
315 2HB ALA 51 2HB ALA 51 -5.706 -1.932 -7.736
316 3HB ALA 51 3HB ALA 51 -3.926 -1.906 -7.680
317 H CYS 52 H CYS 52 -4.777 -3.458 -3.713
318 HA CYS 52 HA CYS 52 -6.822 -1.431 -3.362
319 2HB CYS 52 2HB CYS 52 -7.218 -3.865 -1.698
320 HG CYS 52 HG CYS 52 -9.014 -1.645 -3.376
321 H GLN 53 H GLN 53 -4.606 -3.880 -1.849
322 HA GLN 53 HA GLN 53 -4.319 -3.067 0.606
323 2HB GLN 53 2HB GLN 53 -2.290 -3.920 -1.440
324 2HG GLN 53 2HG GLN 53 -1.670 -2.537 1.137
325 1HE2 GLN 53 2HE2 GLN 53 -1.237 -3.753 2.828
326 2HE2 GLN 53 1HE2 GLN 53 -0.197 -5.139 2.871
327 H THR 54 H THR 54 -3.238 -1.210 -2.253
328 HA THR 54 HA THR 54 -1.727 0.710 -0.845
329 HB THR 54 HB THR 54 -2.034 0.024 -3.448
330 HG1 THR 54 HG1 THR 54 -1.564 2.657 -2.239
331 1HG2 THR 54 1HG2 THR 54 -4.411 1.362 -3.154
332 2HG2 THR 54 2HG2 THR 54 -3.330 2.727 -3.518
333 3HG2 THR 54 3HG2 THR 54 -3.475 1.376 -4.667
334 H GLY 55 H GLY 55 -4.403 0.032 0.358
335 1HA GLY 55 1HA GLY 55 -5.920 2.489 0.044
336 2HA GLY 55 2HA GLY 55 -6.320 1.097 1.032
337 H ILE 56 H ILE 56 -3.017 2.184 1.331
338 HA ILE 56 HA ILE 56 -3.161 2.614 4.034
339 HB ILE 56 HB ILE 56 -1.254 3.561 1.913
340 2HG1 ILE 56 2HG1 ILE 56 0.070 1.864 3.624
341 1HG2 ILE 56 1HG2 ILE 56 -1.004 3.956 4.907
342 2HG2 ILE 56 2HG2 ILE 56 0.302 4.194 3.721
343 3HG2 ILE 56 3HG2 ILE 56 -1.146 5.227 3.669
344 1HD1 ILE 56 1HD1 ILE 56 -2.784 0.851 3.219
345 2HD1 ILE 56 2HD1 ILE 56 -1.419 -0.120 3.822
346 3HD1 ILE 56 3HD1 ILE 56 -2.032 1.247 4.784
347 H VAL 57 H VAL 57 -4.686 4.417 1.625
348 HA VAL 57 HA VAL 57 -4.583 6.859 3.248
349 HB VAL 57 HB VAL 57 -5.926 7.267 0.786
350 1HG1 VAL 57 1HG1 VAL 57 -4.632 8.930 2.071
351 2HG1 VAL 57 2HG1 VAL 57 -3.129 8.074 1.653
352 3HG1 VAL 57 3HG1 VAL 57 -4.100 8.841 0.375
353 1HG2 VAL 57 1HG2 VAL 57 -3.355 5.683 0.507
354 2HG2 VAL 57 2HG2 VAL 57 -4.957 5.300 -0.168
355 3HG2 VAL 57 3HG2 VAL 57 -4.038 6.693 -0.790
356 H ASP 58 H ASP 58 -6.832 4.695 1.393
357 HA ASP 58 HA ASP 58 -9.021 5.841 2.867
358 2HB ASP 58 2HB ASP 58 -9.064 3.568 0.831
359 H GLU 59 H GLU 59 -6.896 3.019 2.755
360 HA GLU 59 HA GLU 59 -8.689 1.442 4.360
361 2HB GLU 59 2HB GLU 59 -5.872 0.854 3.343
362 2HG GLU 59 2HG GLU 59 -7.907 -0.730 4.917
363 H CYS 60 H CYS 60 -5.995 3.657 4.708
364 HA CYS 60 HA CYS 60 -5.298 2.660 7.319
365 2HB CYS 60 2HB CYS 60 -4.307 5.259 6.206
366 H CYS 61 H CYS 61 -7.073 5.350 5.724
367 HA CYS 61 HA CYS 61 -7.504 6.790 8.116
368 2HB CYS 61 2HB CYS 61 -9.516 7.552 6.385
369 H PHE 62 H PHE 62 -9.127 4.161 6.319
370 HA PHE 62 HA PHE 62 -11.438 4.302 8.065
371 2HB PHE 62 2HB PHE 62 -10.582 2.408 5.792
372 HD1 PHE 62 HD1 PHE 62 -13.832 3.991 6.608
373 HD2 PHE 62 HD2 PHE 62 -11.620 0.378 6.376
374 HE1 PHE 62 HE1 PHE 62 -15.940 2.678 6.967
375 HE2 PHE 62 HE2 PHE 62 -13.728 -0.936 6.735
376 HZ PHE 62 HZ PHE 62 -15.863 0.229 7.027
377 H ARG 63 H ARG 63 -8.814 1.963 7.150
378 HA ARG 63 HA ARG 63 -9.518 0.493 9.554
379 2HB ARG 63 2HB ARG 63 -7.513 -0.659 7.655
380 2HG ARG 63 2HG ARG 63 -9.438 -2.528 7.911
381 2HD ARG 63 2HD ARG 63 -7.999 -2.223 10.483
382 HE ARG 63 HE ARG 63 -8.097 -4.505 10.040
383 1HH1 ARG 63 1HH1 ARG 63 -7.482 -2.818 7.014
384 2HH1 ARG 63 2HH1 ARG 63 -7.372 -4.272 6.078
385 1HH2 ARG 63 2HH2 ARG 63 -7.950 -6.423 8.807
386 2HH2 ARG 63 1HH2 ARG 63 -7.639 -6.335 7.105
387 H SER 64 H SER 64 -8.359 1.597 11.185
388 HA SER 64 HA SER 64 -6.158 2.954 11.163
389 2HB SER 64 2HB SER 64 -5.680 2.217 13.444
390 HG SER 64 HG SER 64 -7.658 2.635 14.307
391 H CYS 65 H CYS 65 -4.520 2.544 9.649
392 HA CYS 65 HA CYS 65 -3.228 -0.072 9.863
393 2HB CYS 65 2HB CYS 65 -4.220 1.006 7.632
394 H ASP 66 H ASP 66 -1.685 0.211 11.488
395 HA ASP 66 HA ASP 66 -0.478 2.558 12.136
396 2HB ASP 66 2HB ASP 66 1.174 1.199 13.318
397 H LEU 67 H LEU 67 2.341 0.950 11.843
398 HA LEU 67 HA LEU 67 2.962 2.199 9.271
399 2HB LEU 67 2HB LEU 67 4.117 2.722 11.564
400 HG LEU 67 HG LEU 67 5.023 0.053 11.217
401 1HD1 LEU 67 1HD1 LEU 67 6.907 2.052 10.147
402 2HD1 LEU 67 2HD1 LEU 67 7.591 0.948 11.364
403 3HD1 LEU 67 3HD1 LEU 67 6.824 0.292 9.898
404 1HD2 LEU 67 1HD2 LEU 67 4.623 1.513 13.303
405 2HD2 LEU 67 2HD2 LEU 67 5.965 0.344 13.330
406 3HD2 LEU 67 3HD2 LEU 67 6.295 2.071 13.057
407 H ARG 68 H ARG 68 2.179 -0.790 10.667
408 HA ARG 68 HA ARG 68 4.045 -2.402 9.361
409 2HB ARG 68 2HB ARG 68 2.064 -4.154 9.727
410 2HG ARG 68 2HG ARG 68 2.555 -3.676 12.390
411 2HD ARG 68 2HD ARG 68 3.902 -5.165 10.201
412 HE ARG 68 HE ARG 68 5.639 -3.879 12.002
413 1HH1 ARG 68 1HH1 ARG 68 4.854 -7.194 11.124
414 2HH1 ARG 68 2HH1 ARG 68 6.429 -7.804 11.508
415 1HH2 ARG 68 1HH2 ARG 68 7.717 -4.682 12.509
416 2HH2 ARG 68 2HH2 ARG 68 8.069 -6.366 12.302
417 H ARG 69 H ARG 69 0.864 -1.009 8.488
418 HA ARG 69 HA ARG 69 0.443 -2.629 6.263
419 2HB ARG 69 2HB ARG 69 -0.737 0.007 5.911
420 2HG ARG 69 2HG ARG 69 -1.620 -2.417 5.408
421 2HD ARG 69 2HD ARG 69 -3.360 -2.785 7.481
422 HE ARG 69 HE ARG 69 -1.147 -4.195 6.500
423 1HH1 ARG 69 1HH1 ARG 69 -2.644 -3.717 9.649
424 2HH1 ARG 69 2HH1 ARG 69 -2.144 -5.257 10.262
425 1HH2 ARG 69 1HH2 ARG 69 -0.487 -6.228 7.310
426 2HH2 ARG 69 2HH2 ARG 69 -0.909 -6.695 8.924
427 H LEU 70 H LEU 70 1.188 0.940 6.321
428 HA LEU 70 HA LEU 70 1.901 1.178 3.696
429 2HB LEU 70 2HB LEU 70 1.520 3.097 5.007
430 HG LEU 70 HG LEU 70 3.645 3.745 6.549
431 1HD1 LEU 70 1HD1 LEU 70 1.134 3.864 6.988
432 2HD1 LEU 70 2HD1 LEU 70 1.300 2.251 7.721
433 3HD1 LEU 70 3HD1 LEU 70 2.197 3.631 8.396
434 1HD2 LEU 70 1HD2 LEU 70 4.602 1.458 6.304
435 2HD2 LEU 70 2HD2 LEU 70 4.287 1.935 7.990
436 3HD2 LEU 70 3HD2 LEU 70 3.179 0.815 7.161
437 H GLU 71 H GLU 71 3.556 -0.503 6.259
438 HA GLU 71 HA GLU 71 6.114 -0.311 5.032
439 2HB GLU 71 2HB GLU 71 4.938 -1.575 7.460
440 2HG GLU 71 2HG GLU 71 6.847 -3.014 5.756
441 H MET 72 H MET 72 3.288 -2.442 4.886
442 HA MET 72 HA MET 72 4.616 -4.661 3.824
443 2HB MET 72 2HB MET 72 1.981 -4.739 2.848
444 2HG MET 72 2HG MET 72 1.479 -5.918 5.074
445 1HE MET 72 1HE MET 72 4.282 -7.402 5.913
446 2HE MET 72 2HE MET 72 2.924 -8.537 5.724
447 3HE MET 72 3HE MET 72 4.448 -8.820 4.849
448 H TYR 73 H TYR 73 2.560 -2.107 2.237
449 HA TYR 73 HA TYR 73 2.966 -2.968 -0.367
450 2HB TYR 73 2HB TYR 73 2.843 -0.026 0.384
451 HD1 TYR 73 HD1 TYR 73 1.033 -2.890 -1.226
452 HD2 TYR 73 HD2 TYR 73 1.958 1.285 -1.325
453 HE1 TYR 73 HE1 TYR 73 -0.167 -2.671 -3.456
454 HE2 TYR 73 HE2 TYR 73 0.754 1.491 -3.556
455 HH TYR 73 HH TYR 73 -0.764 -1.356 -5.054
456 H CYS 74 H CYS 74 5.188 -1.480 1.863
457 HA CYS 74 HA CYS 74 6.855 0.104 1.011
458 2HB CYS 74 2HB CYS 74 8.415 -2.351 0.878
459 H ALA 75 H ALA 75 5.413 -0.012 -1.288
460 HA ALA 75 HA ALA 75 6.685 -1.525 -3.335
461 1HB ALA 75 1HB ALA 75 4.375 0.219 -2.982
462 2HB ALA 75 2HB ALA 75 5.237 0.587 -4.495
463 3HB ALA 75 3HB ALA 75 4.652 -1.064 -4.184
464 HA PRO 76 HA PRO 76 9.897 1.236 -4.233
465 2HB PRO 76 2HB PRO 76 11.104 -0.411 -5.298
466 2HG PRO 76 2HG PRO 76 9.849 -2.202 -6.031
467 2HD PRO 76 2HD PRO 76 8.054 -2.056 -4.601
468 H LEU 77 H LEU 77 9.484 3.354 -4.309
469 HA LEU 77 HA LEU 77 8.996 4.475 -6.847
470 2HB LEU 77 2HB LEU 77 6.657 4.309 -4.951
471 HG LEU 77 HG LEU 77 6.174 6.413 -5.631
472 1HD1 LEU 77 1HD1 LEU 77 8.104 5.904 -7.875
473 2HD1 LEU 77 2HD1 LEU 77 6.979 7.281 -7.951
474 3HD1 LEU 77 3HD1 LEU 77 8.136 7.150 -6.604
475 1HD2 LEU 77 1HD2 LEU 77 4.844 4.503 -7.064
476 2HD2 LEU 77 2HD2 LEU 77 4.429 6.234 -7.025
477 3HD2 LEU 77 3HD2 LEU 77 5.424 5.587 -8.352
478 H LYS 78 H LYS 78 10.414 6.123 -6.664
479 HA LYS 78 HA LYS 78 10.225 7.733 -4.216
480 2HB LYS 78 2HB LYS 78 12.855 7.432 -5.614
481 2HG LYS 78 2HG LYS 78 13.555 7.538 -3.136
482 2HD LYS 78 2HD LYS 78 12.402 9.680 -4.829
483 2HE LYS 78 2HE LYS 78 13.081 10.775 -2.183
484 1HZ LYS 78 1HZ LYS 78 10.749 11.036 -3.953
485 2HZ LYS 78 2HZ LYS 78 11.061 11.986 -2.662
486 3HZ LYS 78 3HZ LYS 78 12.060 12.009 -3.953
487 HA PRO 79 HA PRO 79 9.433 10.437 -7.665
488 2HB PRO 79 2HB PRO 79 7.158 10.583 -7.337
489 2HG PRO 79 2HG PRO 79 6.414 9.692 -5.344
490 2HD PRO 79 2HD PRO 79 8.108 8.203 -4.904
491 H ALA 80 H ALA 80 11.107 11.712 -8.128
492 HA ALA 80 HA ALA 80 11.394 14.061 -6.538
493 1HB ALA 80 1HB ALA 80 12.845 11.762 -5.720
494 2HB ALA 80 2HB ALA 80 14.012 12.833 -6.532
495 3HB ALA 80 3HB ALA 80 13.053 13.438 -5.159
496 H LYS 81 H LYS 81 10.883 14.935 -8.650
497 HA LYS 81 HA LYS 81 13.101 15.690 -10.109
498 2HB LYS 81 2HB LYS 81 13.404 13.497 -10.945
499 2HG LYS 81 2HG LYS 81 10.591 13.251 -10.565
500 2HD LYS 81 2HD LYS 81 10.877 13.953 -13.198
501 2HE LYS 81 2HE LYS 81 11.366 10.964 -12.955
502 1HZ LYS 81 1HZ LYS 81 9.427 11.950 -14.496
503 2HZ LYS 81 2HZ LYS 81 10.692 11.999 -15.526
504 3HZ LYS 81 3HZ LYS 81 10.264 10.586 -14.828
505 H SER 82 H SER 82 10.773 16.803 -8.868
506 HA SER 82 HA SER 82 8.567 17.302 -10.035
507 2HB SER 82 2HB SER 82 10.265 19.771 -9.642
508 HG SER 82 HG SER 82 7.755 19.118 -8.400
509 H ALA 83 H ALA 83 11.530 19.059 -11.236
510 HA ALA 83 HA ALA 83 10.225 19.922 -13.596
511 1HB ALA 83 1HB ALA 83 12.465 20.643 -12.186
512 2HB ALA 83 2HB ALA 83 13.184 19.785 -13.569
513 3HB ALA 83 3HB ALA 83 12.105 21.173 -13.847
Start of MODEL 12
1 H MET 1 H MET 1 2.926 26.078 -3.209
2 HA MET 1 HA MET 1 4.913 24.033 -2.675
3 2HB MET 1 2HB MET 1 3.021 23.274 -1.030
4 2HG MET 1 2HG MET 1 5.097 24.937 -0.610
5 1HE MET 1 1HE MET 1 5.650 26.912 0.838
6 2HE MET 1 2HE MET 1 4.775 28.462 0.848
7 3HE MET 1 3HE MET 1 4.236 27.129 1.897
8 H PHE 2 H PHE 2 2.697 24.675 -5.038
9 HA PHE 2 HA PHE 2 2.713 22.399 -6.349
10 2HB PHE 2 2HB PHE 2 0.174 21.724 -5.284
11 HD1 PHE 2 HD1 PHE 2 3.782 21.188 -5.229
12 HD2 PHE 2 HD2 PHE 2 -0.002 19.432 -4.451
13 HE1 PHE 2 HE1 PHE 2 4.848 18.917 -5.172
14 HE2 PHE 2 HE2 PHE 2 1.064 17.161 -4.394
15 HZ PHE 2 HZ PHE 2 3.476 16.930 -4.755
16 HA PRO 3 HA PRO 3 -0.207 24.548 -8.722
17 2HB PRO 3 2HB PRO 3 0.143 23.229 -10.577
18 2HG PRO 3 2HG PRO 3 0.901 21.100 -10.117
19 2HD PRO 3 2HD PRO 3 1.875 21.449 -8.064
20 H ALA 4 H ALA 4 -2.396 21.869 -8.716
21 HA ALA 4 HA ALA 4 -4.670 23.101 -8.321
22 1HB ALA 4 1HB ALA 4 -3.695 20.578 -6.932
23 2HB ALA 4 2HB ALA 4 -5.400 21.086 -6.965
24 3HB ALA 4 3HB ALA 4 -4.557 20.702 -8.485
25 H MET 5 H MET 5 -3.335 21.676 -5.289
26 HA MET 5 HA MET 5 -4.248 24.096 -3.959
27 2HB MET 5 2HB MET 5 -4.865 21.491 -3.428
28 2HG MET 5 2HG MET 5 -3.533 20.682 -1.516
29 1HE MET 5 1HE MET 5 -1.579 19.443 -1.368
30 2HE MET 5 2HE MET 5 -0.796 18.687 -2.776
31 3HE MET 5 3HE MET 5 -0.112 20.170 -2.069
32 HA PRO 6 HA PRO 6 -0.260 25.015 -2.489
33 2HB PRO 6 2HB PRO 6 -0.978 26.677 -1.068
34 2HG PRO 6 2HG PRO 6 -3.133 26.415 -0.289
35 2HD PRO 6 2HD PRO 6 -4.012 25.097 -1.956
36 H LEU 7 H LEU 7 -1.352 23.254 0.372
37 HA LEU 7 HA LEU 7 0.353 21.059 -0.249
38 2HB LEU 7 2HB LEU 7 1.190 22.503 2.228
39 HG LEU 7 HG LEU 7 3.317 21.498 1.888
40 1HD1 LEU 7 1HD1 LEU 7 1.540 20.058 2.852
41 2HD1 LEU 7 2HD1 LEU 7 1.254 19.377 1.233
42 3HD1 LEU 7 3HD1 LEU 7 2.827 19.144 2.032
43 1HD2 LEU 7 1HD2 LEU 7 2.400 21.235 -0.894
44 2HD2 LEU 7 2HD2 LEU 7 4.040 21.438 -0.231
45 3HD2 LEU 7 3HD2 LEU 7 3.290 19.824 -0.273
46 H SER 8 H SER 8 -2.222 20.777 -0.044
47 HA SER 8 HA SER 8 -2.518 19.319 2.355
48 2HB SER 8 2HB SER 8 -3.426 20.978 3.611
49 HG SER 8 HG SER 8 -4.544 22.800 2.006
50 H SER 9 H SER 9 -2.490 18.196 -0.030
51 HA SER 9 HA SER 9 -5.306 17.764 -0.608
52 2HB SER 9 2HB SER 9 -3.066 18.207 -2.622
53 HG SER 9 HG SER 9 -4.473 17.532 -4.237
54 H LEU 10 H LEU 10 -5.117 15.847 0.747
55 HA LEU 10 HA LEU 10 -5.058 13.598 0.757
56 2HB LEU 10 2HB LEU 10 -4.123 12.279 -0.931
57 HG LEU 10 HG LEU 10 -5.493 14.691 -1.846
58 1HD1 LEU 10 1HD1 LEU 10 -3.206 13.747 -3.411
59 2HD1 LEU 10 2HD1 LEU 10 -4.735 13.750 -4.323
60 3HD1 LEU 10 3HD1 LEU 10 -4.158 15.246 -3.547
61 1HD2 LEU 10 1HD2 LEU 10 -5.929 11.920 -1.711
62 2HD2 LEU 10 2HD2 LEU 10 -7.031 13.168 -2.340
63 3HD2 LEU 10 3HD2 LEU 10 -5.919 12.324 -3.444
64 H PHE 11 H PHE 11 -3.567 15.514 2.320
65 HA PHE 11 HA PHE 11 -1.664 13.703 3.427
66 2HB PHE 11 2HB PHE 11 -0.791 16.420 2.274
67 HD1 PHE 11 HD1 PHE 11 0.399 17.051 4.311
68 HD2 PHE 11 HD2 PHE 11 1.236 13.388 2.340
69 HE1 PHE 11 HE1 PHE 11 2.529 16.832 5.620
70 HE2 PHE 11 HE2 PHE 11 3.366 13.169 3.649
71 HZ PHE 11 HZ PHE 11 3.987 14.894 5.275
72 H VAL 12 H VAL 12 -4.157 15.553 3.903
73 HA VAL 12 HA VAL 12 -3.466 17.611 5.605
74 HB VAL 12 HB VAL 12 -5.828 15.954 5.015
75 1HG1 VAL 12 1HG1 VAL 12 -5.334 17.035 7.747
76 2HG1 VAL 12 2HG1 VAL 12 -6.946 17.309 7.046
77 3HG1 VAL 12 3HG1 VAL 12 -6.321 15.651 7.219
78 1HG2 VAL 12 1HG2 VAL 12 -5.299 18.916 5.401
79 2HG2 VAL 12 2HG2 VAL 12 -5.536 18.040 3.869
80 3HG2 VAL 12 3HG2 VAL 12 -6.895 18.235 5.003
81 H ASN 13 H ASN 13 -1.691 17.050 6.942
82 HA ASN 13 HA ASN 13 -1.116 14.937 8.305
83 2HB ASN 13 2HB ASN 13 -0.951 16.868 10.363
84 1HD2 ASN 13 1HD2 ASN 13 0.802 15.774 10.961
85 2HD2 ASN 13 2HD2 ASN 13 2.277 15.645 10.063
86 H GLY 14 H GLY 14 -3.451 17.431 9.599
87 1HA GLY 14 1HA GLY 14 -4.286 16.100 11.867
88 2HA GLY 14 2HA GLY 14 -5.236 17.255 10.954
89 HA PRO 15 HA PRO 15 -6.686 12.815 10.334
90 2HB PRO 15 2HB PRO 15 -6.382 11.602 12.268
91 2HG PRO 15 2HG PRO 15 -5.752 12.853 14.100
92 2HD PRO 15 2HD PRO 15 -4.793 14.661 13.050
93 H ARG 16 H ARG 16 -7.639 14.888 9.154
94 HA ARG 16 HA ARG 16 -10.389 15.074 10.049
95 2HB ARG 16 2HB ARG 16 -10.336 16.953 8.152
96 2HG ARG 16 2HG ARG 16 -8.903 17.168 10.840
97 2HD ARG 16 2HD ARG 16 -9.363 19.622 10.636
98 HE ARG 16 HE ARG 16 -7.733 19.213 8.261
99 1HH1 ARG 16 1HH1 ARG 16 -7.815 18.743 11.747
100 2HH1 ARG 16 2HH1 ARG 16 -6.092 18.739 11.917
101 1HH2 ARG 16 1HH2 ARG 16 -5.459 19.208 8.483
102 2HH2 ARG 16 2HH2 ARG 16 -4.742 19.005 10.047
103 H THR 17 H THR 17 -9.615 15.937 6.733
104 HA THR 17 HA THR 17 -11.227 13.681 5.807
105 HB THR 17 HB THR 17 -10.244 16.023 4.137
106 HG1 THR 17 HG1 THR 17 -12.528 15.855 5.972
107 1HG2 THR 17 1HG2 THR 17 -12.822 14.377 4.293
108 2HG2 THR 17 2HG2 THR 17 -12.626 15.819 3.268
109 3HG2 THR 17 3HG2 THR 17 -11.640 14.369 2.962
110 H LEU 18 H LEU 18 -8.311 15.421 4.527
111 HA LEU 18 HA LEU 18 -7.466 12.926 3.336
112 2HB LEU 18 2HB LEU 18 -5.608 14.420 2.467
113 HG LEU 18 HG LEU 18 -7.022 15.722 0.892
114 1HD1 LEU 18 1HD1 LEU 18 -7.008 12.834 1.259
115 2HD1 LEU 18 2HD1 LEU 18 -8.439 13.393 0.360
116 3HD1 LEU 18 3HD1 LEU 18 -6.807 13.806 -0.219
117 1HD2 LEU 18 1HD2 LEU 18 -8.846 16.129 2.623
118 2HD2 LEU 18 2HD2 LEU 18 -9.373 15.739 0.968
119 3HD2 LEU 18 3HD2 LEU 18 -9.428 14.491 2.237
120 H CYS 19 H CYS 19 -7.570 12.547 6.044
121 HA CYS 19 HA CYS 19 -5.260 13.278 7.418
122 2HB CYS 19 2HB CYS 19 -7.280 12.517 8.534
123 H GLY 20 H GLY 20 -5.647 11.375 4.653
124 1HA GLY 20 1HA GLY 20 -3.890 9.209 5.180
125 2HA GLY 20 2HA GLY 20 -4.419 9.795 3.616
126 H ALA 21 H ALA 21 -2.556 11.397 6.295
127 HA ALA 21 HA ALA 21 -0.559 12.132 4.284
128 1HB ALA 21 1HB ALA 21 -1.885 13.773 5.888
129 2HB ALA 21 2HB ALA 21 -0.656 13.262 7.070
130 3HB ALA 21 3HB ALA 21 -0.159 14.037 5.547
131 H GLU 22 H GLU 22 -1.212 10.017 6.962
132 HA GLU 22 HA GLU 22 1.548 9.779 7.681
133 2HB GLU 22 2HB GLU 22 -0.567 7.823 8.576
134 2HG GLU 22 2HG GLU 22 1.524 9.357 10.175
135 H LEU 23 H LEU 23 -0.983 7.431 6.508
136 HA LEU 23 HA LEU 23 0.515 5.308 5.941
137 2HB LEU 23 2HB LEU 23 -1.602 4.868 5.397
138 HG LEU 23 HG LEU 23 -3.081 6.377 3.990
139 1HD1 LEU 23 1HD1 LEU 23 -2.502 6.375 6.758
140 2HD1 LEU 23 2HD1 LEU 23 -2.755 8.072 6.284
141 3HD1 LEU 23 3HD1 LEU 23 -4.011 6.856 5.945
142 1HD2 LEU 23 1HD2 LEU 23 -0.975 7.745 3.266
143 2HD2 LEU 23 2HD2 LEU 23 -2.536 8.564 3.512
144 3HD2 LEU 23 3HD2 LEU 23 -1.281 8.645 4.771
145 H VAL 24 H VAL 24 0.537 8.413 4.186
146 HA VAL 24 HA VAL 24 2.174 7.381 2.073
147 HB VAL 24 HB VAL 24 0.984 9.097 1.249
148 1HG1 VAL 24 1HG1 VAL 24 1.000 10.240 4.048
149 2HG1 VAL 24 2HG1 VAL 24 0.405 11.173 2.654
150 3HG1 VAL 24 3HG1 VAL 24 -0.375 9.636 3.093
151 1HG2 VAL 24 1HG2 VAL 24 3.276 10.633 2.520
152 2HG2 VAL 24 2HG2 VAL 24 3.300 9.799 0.948
153 3HG2 VAL 24 3HG2 VAL 24 2.254 11.219 1.186
154 H ASP 25 H ASP 25 2.608 9.273 5.108
155 HA ASP 25 HA ASP 25 5.325 9.756 4.638
156 2HB ASP 25 2HB ASP 25 4.512 9.577 7.475
157 H ALA 26 H ALA 26 3.402 7.076 5.922
158 HA ALA 26 HA ALA 26 5.391 5.838 7.477
159 1HB ALA 26 1HB ALA 26 2.754 5.508 7.214
160 2HB ALA 26 2HB ALA 26 3.270 4.255 6.061
161 3HB ALA 26 3HB ALA 26 3.807 4.179 7.756
162 H LEU 27 H LEU 27 4.231 5.253 4.082
163 HA LEU 27 HA LEU 27 6.285 3.358 3.586
164 2HB LEU 27 2HB LEU 27 5.486 3.523 1.253
165 HG LEU 27 HG LEU 27 3.656 2.947 3.507
166 1HD1 LEU 27 1HD1 LEU 27 2.644 3.819 0.827
167 2HD1 LEU 27 2HD1 LEU 27 1.816 2.501 1.690
168 3HD1 LEU 27 3HD1 LEU 27 1.974 4.101 2.452
169 1HD2 LEU 27 1HD2 LEU 27 5.189 1.305 2.376
170 2HD2 LEU 27 2HD2 LEU 27 3.481 0.812 2.469
171 3HD2 LEU 27 3HD2 LEU 27 4.147 1.427 0.938
172 H GLN 28 H GLN 28 5.829 6.876 3.009
173 HA GLN 28 HA GLN 28 8.167 7.096 1.462
174 2HB GLN 28 2HB GLN 28 7.206 9.504 2.931
175 2HG GLN 28 2HG GLN 28 6.991 9.310 -0.022
176 1HE2 GLN 28 2HE2 GLN 28 8.815 10.545 2.775
177 2HE2 GLN 28 1HE2 GLN 28 8.734 12.227 2.366
178 H PHE 29 H PHE 29 7.726 6.376 4.720
179 HA PHE 29 HA PHE 29 10.003 7.921 5.642
180 2HB PHE 29 2HB PHE 29 7.738 6.248 6.738
181 HD1 PHE 29 HD1 PHE 29 10.838 7.664 8.280
182 HD2 PHE 29 HD2 PHE 29 8.055 4.464 8.151
183 HE1 PHE 29 HE1 PHE 29 12.057 6.530 10.158
184 HE2 PHE 29 HE2 PHE 29 9.273 3.329 10.030
185 HZ PHE 29 HZ PHE 29 11.260 4.376 11.011
186 H VAL 30 H VAL 30 8.947 4.436 5.587
187 HA VAL 30 HA VAL 30 11.774 3.708 5.778
188 HB VAL 30 HB VAL 30 9.184 2.481 6.567
189 1HG1 VAL 30 1HG1 VAL 30 11.608 0.822 5.792
190 2HG1 VAL 30 2HG1 VAL 30 10.178 0.220 6.665
191 3HG1 VAL 30 3HG1 VAL 30 10.017 0.812 4.994
192 1HG2 VAL 30 1HG2 VAL 30 11.134 3.616 7.990
193 2HG2 VAL 30 2HG2 VAL 30 10.178 2.252 8.617
194 3HG2 VAL 30 3HG2 VAL 30 11.794 1.964 7.930
195 H CYS 31 H CYS 31 8.875 3.595 3.718
196 HA CYS 31 HA CYS 31 9.883 1.681 1.921
197 2HB CYS 31 2HB CYS 31 8.041 3.590 0.732
198 H GLY 32 H GLY 32 10.356 5.141 2.473
199 1HA GLY 32 1HA GLY 32 12.503 5.922 1.511
200 2HA GLY 32 2HA GLY 32 11.931 5.312 -0.028
201 H ASP 33 H ASP 33 12.322 8.105 1.709
202 HA ASP 33 HA ASP 33 10.104 9.523 1.765
203 2HB ASP 33 2HB ASP 33 12.067 10.691 2.327
204 H ARG 34 H ARG 34 11.576 8.072 -1.062
205 HA ARG 34 HA ARG 34 10.684 9.811 -3.011
206 2HB ARG 34 2HB ARG 34 12.330 8.135 -3.584
207 2HG ARG 34 2HG ARG 34 10.746 6.442 -1.927
208 2HD ARG 34 2HD ARG 34 11.254 4.848 -4.395
209 HE ARG 34 HE ARG 34 8.732 4.719 -2.881
210 1HH1 ARG 34 1HH1 ARG 34 12.060 3.600 -3.116
211 2HH1 ARG 34 2HH1 ARG 34 11.785 2.181 -2.162
212 1HH2 ARG 34 1HH2 ARG 34 8.369 2.846 -1.622
213 2HH2 ARG 34 2HH2 ARG 34 9.671 1.750 -1.306
214 H GLY 35 H GLY 35 8.917 7.863 -0.838
215 1HA GLY 35 1HA GLY 35 6.697 7.508 -0.644
216 2HA GLY 35 2HA GLY 35 6.430 8.439 -2.104
217 H PHE 36 H PHE 36 5.446 5.681 -1.026
218 HA PHE 36 HA PHE 36 6.367 4.016 -3.243
219 2HB PHE 36 2HB PHE 36 5.077 3.677 -0.512
220 HD1 PHE 36 HD1 PHE 36 6.176 0.962 -2.743
221 HD2 PHE 36 HD2 PHE 36 2.870 2.811 -0.830
222 HE1 PHE 36 HE1 PHE 36 4.739 -1.014 -3.318
223 HE2 PHE 36 HE2 PHE 36 1.433 0.834 -1.404
224 HZ PHE 36 HZ PHE 36 2.384 -1.054 -2.641
225 H TYR 37 H TYR 37 4.530 2.473 -4.103
226 HA TYR 37 HA TYR 37 2.476 4.220 -5.116
227 2HB TYR 37 2HB TYR 37 2.961 1.193 -5.414
228 HD1 TYR 37 HD1 TYR 37 2.191 4.240 -7.485
229 HD2 TYR 37 HD2 TYR 37 1.271 0.157 -6.602
230 HE1 TYR 37 HE1 TYR 37 0.392 4.250 -9.281
231 HE2 TYR 37 HE2 TYR 37 -0.524 0.179 -8.403
232 HH TYR 37 HH TYR 37 -1.343 3.165 -10.093
233 H PHE 38 H PHE 38 1.067 4.694 -3.374
234 HA PHE 38 HA PHE 38 0.072 2.662 -1.687
235 2HB PHE 38 2HB PHE 38 -1.659 4.627 -1.293
236 HD1 PHE 38 HD1 PHE 38 2.017 5.034 -1.854
237 HD2 PHE 38 HD2 PHE 38 -1.250 5.416 0.827
238 HE1 PHE 38 HE1 PHE 38 3.590 5.770 -0.042
239 HE2 PHE 38 HE2 PHE 38 0.323 6.151 2.639
240 HZ PHE 38 HZ PHE 38 2.724 6.320 2.184
241 H ASN 39 H ASN 39 -2.544 4.587 -2.776
242 HA ASN 39 HA ASN 39 -3.884 2.275 -3.690
243 2HB ASN 39 2HB ASN 39 -5.173 4.851 -4.350
244 1HD2 ASN 39 2HD2 ASN 39 -6.764 4.854 -1.994
245 2HD2 ASN 39 1HD2 ASN 39 -7.760 3.436 -1.989
246 H LYS 40 H LYS 40 -5.510 3.587 -5.793
247 HA LYS 40 HA LYS 40 -3.513 3.566 -7.931
248 2HB LYS 40 2HB LYS 40 -6.370 3.409 -8.646
249 2HG LYS 40 2HG LYS 40 -3.812 2.640 -9.672
250 2HD LYS 40 2HD LYS 40 -4.976 0.201 -10.285
251 2HE LYS 40 2HE LYS 40 -3.005 0.800 -8.026
252 1HZ LYS 40 1HZ LYS 40 -4.112 -1.537 -8.578
253 2HZ LYS 40 2HZ LYS 40 -2.833 -1.593 -9.592
254 3HZ LYS 40 3HZ LYS 40 -2.597 -1.376 -7.991
255 HA PRO 41 HA PRO 41 -4.352 7.883 -8.004
256 2HB PRO 41 2HB PRO 41 -2.150 8.464 -7.661
257 2HG PRO 41 2HG PRO 41 -0.646 6.737 -7.931
258 2HD PRO 41 2HD PRO 41 -2.017 4.935 -7.532
259 H THR 42 H THR 42 -4.572 5.569 -10.288
260 HA THR 42 HA THR 42 -6.106 7.298 -11.974
261 HB THR 42 HB THR 42 -3.479 6.104 -13.008
262 HG1 THR 42 HG1 THR 42 -2.843 8.114 -12.337
263 1HG2 THR 42 1HG2 THR 42 -5.799 7.575 -14.326
264 2HG2 THR 42 2HG2 THR 42 -4.147 7.711 -14.974
265 3HG2 THR 42 3HG2 THR 42 -4.946 6.122 -14.899
266 H GLY 43 H GLY 43 -6.678 5.881 -14.101
267 1HA GLY 43 1HA GLY 43 -8.401 3.969 -13.462
268 2HA GLY 43 2HA GLY 43 -7.451 3.904 -14.933
269 H TYR 44 H TYR 44 -8.439 1.613 -13.401
270 HA TYR 44 HA TYR 44 -6.177 0.566 -11.961
271 2HB TYR 44 2HB TYR 44 -8.319 -1.276 -12.876
272 HD1 TYR 44 HD1 TYR 44 -6.546 -2.496 -11.384
273 HD2 TYR 44 HD2 TYR 44 -9.307 0.422 -9.911
274 HE1 TYR 44 HE1 TYR 44 -6.247 -3.394 -9.024
275 HE2 TYR 44 HE2 TYR 44 -8.999 -0.487 -7.556
276 HH TYR 44 HH TYR 44 -7.402 -3.455 -6.964
277 H GLY 45 H GLY 45 -5.259 1.249 -14.491
278 1HA GLY 45 1HA GLY 45 -5.425 -0.383 -16.609
279 2HA GLY 45 2HA GLY 45 -3.909 0.284 -16.036
280 H SER 46 H SER 46 -4.152 -1.244 -13.398
281 HA SER 46 HA SER 46 -3.098 -3.708 -14.480
282 2HB SER 46 2HB SER 46 -3.045 -2.750 -11.588
283 HG SER 46 HG SER 46 -1.896 -4.878 -13.043
284 H SER 47 H SER 47 -5.347 -4.448 -15.062
285 HA SER 47 HA SER 47 -7.221 -4.828 -13.006
286 2HB SER 47 2HB SER 47 -8.169 -4.696 -15.150
287 HG SER 47 HG SER 47 -7.415 -6.064 -16.930
288 H SER 48 H SER 48 -5.565 -5.862 -11.469
289 HA SER 48 HA SER 48 -5.603 -8.734 -11.949
290 2HB SER 48 2HB SER 48 -3.365 -8.957 -10.996
291 HG SER 48 HG SER 48 -3.218 -6.727 -12.826
292 H ARG 49 H ARG 49 -5.108 -9.926 -9.720
293 HA ARG 49 HA ARG 49 -7.093 -9.629 -8.055
294 2HB ARG 49 2HB ARG 49 -5.552 -10.545 -6.216
295 2HG ARG 49 2HG ARG 49 -4.724 -12.518 -7.745
296 2HD ARG 49 2HD ARG 49 -6.977 -12.257 -6.394
297 HE ARG 49 HE ARG 49 -8.575 -11.178 -7.717
298 1HH1 ARG 49 1HH1 ARG 49 -6.762 -13.427 -9.726
299 2HH1 ARG 49 2HH1 ARG 49 -7.767 -13.195 -11.116
300 1HH2 ARG 49 1HH2 ARG 49 -9.903 -10.872 -9.551
301 2HH2 ARG 49 2HH2 ARG 49 -9.566 -11.732 -11.016
302 H ARG 50 H ARG 50 -7.926 -7.773 -7.130
303 HA ARG 50 HA ARG 50 -6.844 -5.434 -6.798
304 2HB ARG 50 2HB ARG 50 -9.167 -5.940 -6.139
305 2HG ARG 50 2HG ARG 50 -8.141 -6.999 -3.486
306 2HD ARG 50 2HD ARG 50 -10.741 -7.467 -5.026
307 HE ARG 50 HE ARG 50 -9.686 -8.798 -2.765
308 1HH1 ARG 50 1HH1 ARG 50 -12.605 -7.024 -3.608
309 2HH1 ARG 50 2HH1 ARG 50 -13.608 -7.894 -2.496
310 1HH2 ARG 50 1HH2 ARG 50 -11.009 -9.946 -1.298
311 2HH2 ARG 50 2HH2 ARG 50 -12.694 -9.568 -1.173
312 H ALA 51 H ALA 51 -4.858 -4.810 -6.000
313 HA ALA 51 HA ALA 51 -3.875 -6.211 -3.616
314 1HB ALA 51 1HB ALA 51 -2.427 -4.615 -5.770
315 2HB ALA 51 2HB ALA 51 -1.652 -5.388 -4.366
316 3HB ALA 51 3HB ALA 51 -2.449 -6.386 -5.605
317 H CYS 52 H CYS 52 -4.393 -2.981 -5.147
318 HA CYS 52 HA CYS 52 -3.525 -1.596 -2.826
319 2HB CYS 52 2HB CYS 52 -3.263 -0.482 -4.919
320 HG CYS 52 HG CYS 52 -4.620 -1.379 -6.707
321 H GLN 53 H GLN 53 -6.198 -3.526 -3.497
322 HA GLN 53 HA GLN 53 -8.425 -2.264 -2.839
323 2HB GLN 53 2HB GLN 53 -7.662 -4.895 -2.999
324 2HG GLN 53 2HG GLN 53 -7.079 -4.703 -0.469
325 1HE2 GLN 53 2HE2 GLN 53 -8.296 -5.617 1.531
326 2HE2 GLN 53 1HE2 GLN 53 -9.722 -4.755 2.004
327 H THR 54 H THR 54 -5.697 -2.959 -0.656
328 HA THR 54 HA THR 54 -7.210 -2.034 1.653
329 HB THR 54 HB THR 54 -4.575 -3.420 1.107
330 HG1 THR 54 HG1 THR 54 -5.895 -4.926 2.048
331 1HG2 THR 54 1HG2 THR 54 -5.284 -1.709 3.519
332 2HG2 THR 54 2HG2 THR 54 -4.354 -3.211 3.739
333 3HG2 THR 54 3HG2 THR 54 -3.706 -1.904 2.720
334 H GLY 55 H GLY 55 -6.924 -0.136 -0.493
335 1HA GLY 55 1HA GLY 55 -5.149 1.668 -0.784
336 2HA GLY 55 2HA GLY 55 -6.715 2.177 -0.182
337 H ILE 56 H ILE 56 -3.325 1.510 0.653
338 HA ILE 56 HA ILE 56 -3.464 1.764 3.401
339 HB ILE 56 HB ILE 56 -1.494 1.567 1.391
340 2HG1 ILE 56 2HG1 ILE 56 -1.404 1.390 4.413
341 1HG2 ILE 56 1HG2 ILE 56 -1.437 4.170 2.162
342 2HG2 ILE 56 2HG2 ILE 56 -0.329 3.443 3.351
343 3HG2 ILE 56 3HG2 ILE 56 -0.018 3.248 1.610
344 1HD1 ILE 56 1HD1 ILE 56 -2.057 -0.445 2.140
345 2HD1 ILE 56 2HD1 ILE 56 -1.044 -1.121 3.438
346 3HD1 ILE 56 3HD1 ILE 56 -2.651 -0.456 3.818
347 H VAL 57 H VAL 57 -4.526 3.967 1.102
348 HA VAL 57 HA VAL 57 -3.932 6.238 2.868
349 HB VAL 57 HB VAL 57 -5.023 7.087 0.398
350 1HG1 VAL 57 1HG1 VAL 57 -2.287 7.223 1.682
351 2HG1 VAL 57 2HG1 VAL 57 -2.649 8.007 0.125
352 3HG1 VAL 57 3HG1 VAL 57 -3.540 8.484 1.591
353 1HG2 VAL 57 1HG2 VAL 57 -2.966 4.890 0.121
354 2HG2 VAL 57 2HG2 VAL 57 -4.504 5.101 -0.749
355 3HG2 VAL 57 3HG2 VAL 57 -3.131 6.179 -1.095
356 H ASP 58 H ASP 58 -6.488 4.579 0.919
357 HA ASP 58 HA ASP 58 -8.474 6.203 2.206
358 2HB ASP 58 2HB ASP 58 -9.047 3.801 0.446
359 H GLU 59 H GLU 59 -7.080 2.909 2.233
360 HA GLU 59 HA GLU 59 -9.154 1.921 3.946
361 2HB GLU 59 2HB GLU 59 -6.566 0.644 2.957
362 2HG GLU 59 2HG GLU 59 -8.238 -0.167 5.092
363 H CYS 60 H CYS 60 -6.032 3.482 4.198
364 HA CYS 60 HA CYS 60 -5.463 2.461 6.807
365 2HB CYS 60 2HB CYS 60 -4.215 4.816 5.381
366 H CYS 61 H CYS 61 -6.539 5.601 5.325
367 HA CYS 61 HA CYS 61 -6.832 6.963 7.725
368 2HB CYS 61 2HB CYS 61 -8.765 7.939 5.901
369 H PHE 62 H PHE 62 -8.896 4.669 5.921
370 HA PHE 62 HA PHE 62 -11.157 5.174 7.639
371 2HB PHE 62 2HB PHE 62 -10.472 3.152 5.423
372 HD1 PHE 62 HD1 PHE 62 -13.400 4.691 7.174
373 HD2 PHE 62 HD2 PHE 62 -11.805 1.297 5.188
374 HE1 PHE 62 HE1 PHE 62 -15.535 3.441 7.595
375 HE2 PHE 62 HE2 PHE 62 -13.940 0.048 5.608
376 HZ PHE 62 HZ PHE 62 -15.780 1.134 6.806
377 H ARG 63 H ARG 63 -8.703 2.589 7.045
378 HA ARG 63 HA ARG 63 -9.737 1.285 9.429
379 2HB ARG 63 2HB ARG 63 -7.737 -0.177 7.772
380 2HG ARG 63 2HG ARG 63 -10.146 -0.697 9.402
381 2HD ARG 63 2HD ARG 63 -10.151 -1.556 6.607
382 HE ARG 63 HE ARG 63 -10.560 -3.907 8.337
383 1HH1 ARG 63 1HH1 ARG 63 -8.377 -2.223 6.151
384 2HH1 ARG 63 2HH1 ARG 63 -7.444 -3.637 5.788
385 1HH2 ARG 63 2HH2 ARG 63 -9.330 -5.774 7.859
386 2HH2 ARG 63 1HH2 ARG 63 -7.991 -5.671 6.765
387 H SER 64 H SER 64 -8.581 2.368 11.080
388 HA SER 64 HA SER 64 -6.295 3.520 11.195
389 2HB SER 64 2HB SER 64 -6.156 1.618 13.368
390 HG SER 64 HG SER 64 -7.520 3.838 14.081
391 H CYS 65 H CYS 65 -4.571 3.021 9.825
392 HA CYS 65 HA CYS 65 -3.368 0.384 10.264
393 2HB CYS 65 2HB CYS 65 -4.471 1.124 7.922
394 H ASP 66 H ASP 66 -1.787 0.986 11.774
395 HA ASP 66 HA ASP 66 -0.550 3.424 11.853
396 2HB ASP 66 2HB ASP 66 1.132 2.315 13.278
397 H LEU 67 H LEU 67 2.194 1.594 11.909
398 HA LEU 67 HA LEU 67 2.940 2.421 9.225
399 2HB LEU 67 2HB LEU 67 5.201 1.434 10.322
400 HG LEU 67 HG LEU 67 4.325 3.969 9.712
401 1HD1 LEU 67 1HD1 LEU 67 4.472 3.706 12.662
402 2HD1 LEU 67 2HD1 LEU 67 5.285 5.120 11.950
403 3HD1 LEU 67 3HD1 LEU 67 3.553 4.842 11.646
404 1HD2 LEU 67 1HD2 LEU 67 6.719 2.622 9.933
405 2HD2 LEU 67 2HD2 LEU 67 6.507 4.301 9.380
406 3HD2 LEU 67 3HD2 LEU 67 6.911 3.968 11.082
407 H ARG 68 H ARG 68 2.298 -0.469 11.190
408 HA ARG 68 HA ARG 68 3.571 -2.406 9.941
409 2HB ARG 68 2HB ARG 68 0.698 -3.083 10.161
410 2HG ARG 68 2HG ARG 68 1.797 -4.423 12.164
411 2HD ARG 68 2HD ARG 68 2.754 -5.002 9.322
412 HE ARG 68 HE ARG 68 1.896 -7.205 10.996
413 1HH1 ARG 68 1HH1 ARG 68 4.603 -5.035 10.410
414 2HH1 ARG 68 2HH1 ARG 68 5.788 -6.140 11.021
415 1HH2 ARG 68 1HH2 ARG 68 3.459 -8.665 11.802
416 2HH2 ARG 68 2HH2 ARG 68 5.132 -8.220 11.818
417 H ARG 69 H ARG 69 0.815 -0.520 8.648
418 HA ARG 69 HA ARG 69 0.318 -2.203 6.483
419 2HB ARG 69 2HB ARG 69 -0.345 0.532 5.821
420 2HG ARG 69 2HG ARG 69 -1.735 -1.446 5.269
421 2HD ARG 69 2HD ARG 69 -3.168 -1.908 7.662
422 HE ARG 69 HE ARG 69 -1.364 -3.484 5.945
423 1HH1 ARG 69 1HH1 ARG 69 -3.548 -3.511 8.703
424 2HH1 ARG 69 2HH1 ARG 69 -3.831 -5.217 8.626
425 1HH2 ARG 69 1HH2 ARG 69 -1.736 -5.737 5.842
426 2HH2 ARG 69 2HH2 ARG 69 -2.793 -6.492 6.987
427 H LEU 70 H LEU 70 2.234 0.855 6.880
428 HA LEU 70 HA LEU 70 2.984 1.299 4.311
429 2HB LEU 70 2HB LEU 70 3.557 2.386 6.699
430 HG LEU 70 HG LEU 70 5.476 0.623 6.934
431 1HD1 LEU 70 1HD1 LEU 70 6.194 1.583 4.467
432 2HD1 LEU 70 2HD1 LEU 70 7.273 2.490 5.555
433 3HD1 LEU 70 3HD1 LEU 70 7.262 0.710 5.591
434 1HD2 LEU 70 1HD2 LEU 70 5.675 3.594 7.397
435 2HD2 LEU 70 2HD2 LEU 70 5.314 2.294 8.559
436 3HD2 LEU 70 3HD2 LEU 70 6.962 2.477 7.913
437 H GLU 71 H GLU 71 4.179 -1.201 6.577
438 HA GLU 71 HA GLU 71 6.263 -1.970 4.808
439 2HB GLU 71 2HB GLU 71 5.814 -2.307 7.490
440 2HG GLU 71 2HG GLU 71 4.118 -4.177 6.715
441 H MET 72 H MET 72 2.865 -2.814 5.357
442 HA MET 72 HA MET 72 2.929 -5.311 4.121
443 2HB MET 72 2HB MET 72 0.358 -4.285 3.687
444 2HG MET 72 2HG MET 72 0.056 -5.093 6.225
445 1HE MET 72 1HE MET 72 1.678 -7.935 6.074
446 2HE MET 72 2HE MET 72 1.090 -9.018 4.790
447 3HE MET 72 3HE MET 72 2.351 -7.815 4.430
448 H TYR 73 H TYR 73 1.785 -2.087 2.866
449 HA TYR 73 HA TYR 73 1.552 -3.075 0.210
450 2HB TYR 73 2HB TYR 73 1.728 -0.263 0.177
451 HD1 TYR 73 HD1 TYR 73 -0.362 -3.167 1.042
452 HD2 TYR 73 HD2 TYR 73 -0.366 0.896 -0.299
453 HE1 TYR 73 HE1 TYR 73 -2.795 -3.395 0.336
454 HE2 TYR 73 HE2 TYR 73 -2.799 0.655 -1.000
455 HH TYR 73 HH TYR 73 -4.566 -0.605 -0.954
456 H CYS 74 H CYS 74 4.140 -1.655 2.157
457 HA CYS 74 HA CYS 74 5.731 -0.403 0.447
458 2HB CYS 74 2HB CYS 74 7.431 -2.247 1.786
459 H ALA 75 H ALA 75 4.421 -1.940 -1.388
460 HA ALA 75 HA ALA 75 5.665 -4.358 -2.064
461 1HB ALA 75 1HB ALA 75 3.589 -2.605 -3.048
462 2HB ALA 75 2HB ALA 75 4.628 -3.113 -4.400
463 3HB ALA 75 3HB ALA 75 3.840 -4.337 -3.374
464 HA PRO 76 HA PRO 76 9.245 -3.040 -4.098
465 2HB PRO 76 2HB PRO 76 10.013 -5.196 -4.348
466 2HG PRO 76 2HG PRO 76 8.366 -6.812 -4.338
467 2HD PRO 76 2HD PRO 76 6.722 -5.711 -3.168
468 H LEU 77 H LEU 77 7.251 -4.231 -6.766
469 HA LEU 77 HA LEU 77 8.104 -2.675 -8.733
470 2HB LEU 77 2HB LEU 77 5.146 -2.868 -8.321
471 HG LEU 77 HG LEU 77 5.249 -3.830 -10.640
472 1HD1 LEU 77 1HD1 LEU 77 4.746 -1.401 -10.011
473 2HD1 LEU 77 2HD1 LEU 77 6.394 -1.041 -10.579
474 3HD1 LEU 77 3HD1 LEU 77 5.201 -1.739 -11.699
475 1HD2 LEU 77 1HD2 LEU 77 7.693 -4.450 -10.472
476 2HD2 LEU 77 2HD2 LEU 77 7.194 -3.651 -11.982
477 3HD2 LEU 77 3HD2 LEU 77 8.063 -2.728 -10.732
478 H LYS 78 H LYS 78 8.922 -0.638 -8.362
479 HA LYS 78 HA LYS 78 7.417 1.247 -6.815
480 2HB LYS 78 2HB LYS 78 9.643 2.298 -8.401
481 2HG LYS 78 2HG LYS 78 10.371 2.407 -5.767
482 2HD LYS 78 2HD LYS 78 9.454 4.205 -7.657
483 2HE LYS 78 2HE LYS 78 7.796 5.174 -5.460
484 1HZ LYS 78 1HZ LYS 78 7.928 5.561 -8.039
485 2HZ LYS 78 2HZ LYS 78 6.717 4.466 -8.040
486 3HZ LYS 78 3HZ LYS 78 6.563 5.852 -7.192
487 HA PRO 79 HA PRO 79 6.758 3.041 -11.133
488 2HB PRO 79 2HB PRO 79 8.521 2.904 -12.607
489 2HG PRO 79 2HG PRO 79 10.040 1.233 -12.141
490 2HD PRO 79 2HD PRO 79 9.678 0.971 -9.886
491 H ALA 80 H ALA 80 4.618 2.782 -10.563
492 HA ALA 80 HA ALA 80 3.376 0.285 -11.215
493 1HB ALA 80 1HB ALA 80 2.901 2.346 -9.432
494 2HB ALA 80 2HB ALA 80 1.649 2.611 -10.669
495 3HB ALA 80 3HB ALA 80 1.754 1.045 -9.831
496 H LYS 81 H LYS 81 3.523 3.625 -12.559
497 HA LYS 81 HA LYS 81 3.187 2.790 -15.173
498 2HB LYS 81 2HB LYS 81 0.614 4.091 -14.457
499 2HG LYS 81 2HG LYS 81 1.315 3.411 -16.796
500 2HD LYS 81 2HD LYS 81 0.667 0.563 -16.209
501 2HE LYS 81 2HE LYS 81 1.252 1.286 -18.484
502 1HZ LYS 81 1HZ LYS 81 3.162 2.796 -17.124
503 2HZ LYS 81 2HZ LYS 81 3.933 1.836 -18.197
504 3HZ LYS 81 3HZ LYS 81 2.760 2.852 -18.707
505 H SER 82 H SER 82 4.831 4.518 -13.580
506 HA SER 82 HA SER 82 4.470 7.016 -13.258
507 2HB SER 82 2HB SER 82 6.638 6.206 -15.234
508 HG SER 82 HG SER 82 6.543 8.072 -13.017
509 H ALA 83 H ALA 83 3.176 8.542 -14.214
510 HA ALA 83 HA ALA 83 2.845 8.401 -17.118
511 1HB ALA 83 1HB ALA 83 1.251 9.757 -14.907
512 2HB ALA 83 2HB ALA 83 0.878 9.889 -16.642
513 3HB ALA 83 3HB ALA 83 0.788 8.308 -15.830
Start of MODEL 13
1 H MET 1 H MET 1 -4.097 10.284 -8.879
2 HA MET 1 HA MET 1 -6.933 10.631 -9.390
3 2HB MET 1 2HB MET 1 -4.867 12.550 -8.175
4 2HG MET 1 2HG MET 1 -7.729 12.788 -8.854
5 1HE MET 1 1HE MET 1 -9.358 14.496 -7.541
6 2HE MET 1 2HE MET 1 -9.807 12.775 -7.465
7 3HE MET 1 3HE MET 1 -9.916 13.789 -6.006
8 H PHE 2 H PHE 2 -3.848 11.047 -10.864
9 HA PHE 2 HA PHE 2 -3.156 12.053 -12.699
10 2HB PHE 2 2HB PHE 2 -5.639 12.863 -13.933
11 HD1 PHE 2 HD1 PHE 2 -3.665 9.752 -13.311
12 HD2 PHE 2 HD2 PHE 2 -5.491 12.306 -16.166
13 HE1 PHE 2 HE1 PHE 2 -2.726 8.348 -15.168
14 HE2 PHE 2 HE2 PHE 2 -4.553 10.902 -18.022
15 HZ PHE 2 HZ PHE 2 -3.182 8.939 -17.502
16 HA PRO 3 HA PRO 3 -3.444 16.377 -12.447
17 2HB PRO 3 2HB PRO 3 -1.939 16.752 -14.149
18 2HG PRO 3 2HG PRO 3 -1.843 15.080 -15.735
19 2HD PRO 3 2HD PRO 3 -2.612 13.301 -14.498
20 H ALA 4 H ALA 4 -5.633 15.459 -15.063
21 HA ALA 4 HA ALA 4 -7.317 17.338 -15.397
22 1HB ALA 4 1HB ALA 4 -7.572 14.500 -15.112
23 2HB ALA 4 2HB ALA 4 -9.010 15.254 -14.384
24 3HB ALA 4 3HB ALA 4 -8.578 15.610 -16.074
25 H MET 5 H MET 5 -7.697 15.413 -12.328
26 HA MET 5 HA MET 5 -9.022 17.733 -11.212
27 2HB MET 5 2HB MET 5 -9.089 15.701 -9.291
28 2HG MET 5 2HG MET 5 -11.173 15.309 -11.327
29 1HE MET 5 1HE MET 5 -12.462 17.906 -9.963
30 2HE MET 5 2HE MET 5 -13.451 17.366 -8.585
31 3HE MET 5 3HE MET 5 -11.856 18.101 -8.301
32 HA PRO 6 HA PRO 6 -5.738 18.651 -8.528
33 2HB PRO 6 2HB PRO 6 -6.777 20.546 -7.733
34 2HG PRO 6 2HG PRO 6 -9.077 20.524 -7.898
35 2HD PRO 6 2HD PRO 6 -9.349 19.025 -9.619
36 H LEU 7 H LEU 7 -4.956 18.482 -6.053
37 HA LEU 7 HA LEU 7 -5.571 15.705 -5.320
38 2HB LEU 7 2HB LEU 7 -3.040 15.908 -4.488
39 HG LEU 7 HG LEU 7 -2.242 14.761 -6.454
40 1HD1 LEU 7 1HD1 LEU 7 -3.761 13.589 -4.827
41 2HD1 LEU 7 2HD1 LEU 7 -5.090 13.853 -5.981
42 3HD1 LEU 7 3HD1 LEU 7 -3.685 12.868 -6.454
43 1HD2 LEU 7 1HD2 LEU 7 -4.026 16.410 -7.852
44 2HD2 LEU 7 2HD2 LEU 7 -2.953 15.156 -8.520
45 3HD2 LEU 7 3HD2 LEU 7 -4.632 14.752 -8.084
46 H SER 8 H SER 8 -7.219 16.904 -3.978
47 HA SER 8 HA SER 8 -6.115 17.242 -1.397
48 2HB SER 8 2HB SER 8 -5.681 19.489 -1.792
49 HG SER 8 HG SER 8 -6.432 20.526 -3.510
50 H SER 9 H SER 9 -7.771 15.276 -2.063
51 HA SER 9 HA SER 9 -10.191 16.023 -0.733
52 2HB SER 9 2HB SER 9 -10.859 14.428 -3.113
53 HG SER 9 HG SER 9 -12.095 16.069 -1.466
54 H LEU 10 H LEU 10 -9.186 14.598 0.878
55 HA LEU 10 HA LEU 10 -9.337 12.623 1.933
56 2HB LEU 10 2HB LEU 10 -9.727 10.938 -0.463
57 HG LEU 10 HG LEU 10 -10.484 10.884 2.338
58 1HD1 LEU 10 1HD1 LEU 10 -12.638 11.731 1.313
59 2HD1 LEU 10 2HD1 LEU 10 -12.730 10.184 0.440
60 3HD1 LEU 10 3HD1 LEU 10 -12.748 10.202 2.219
61 1HD2 LEU 10 1HD2 LEU 10 -9.252 9.146 0.974
62 2HD2 LEU 10 2HD2 LEU 10 -10.580 8.542 1.996
63 3HD2 LEU 10 3HD2 LEU 10 -10.821 8.731 0.242
64 H PHE 11 H PHE 11 -7.099 13.970 0.246
65 HA PHE 11 HA PHE 11 -5.115 12.081 0.962
66 2HB PHE 11 2HB PHE 11 -5.616 12.738 -2.003
67 HD1 PHE 11 HD1 PHE 11 -4.301 9.629 -0.550
68 HD2 PHE 11 HD2 PHE 11 -3.336 13.229 -2.581
69 HE1 PHE 11 HE1 PHE 11 -2.014 8.728 -1.062
70 HE2 PHE 11 HE2 PHE 11 -1.050 12.327 -3.093
71 HZ PHE 11 HZ PHE 11 -0.417 10.088 -2.327
72 H VAL 12 H VAL 12 -5.948 14.939 1.364
73 HA VAL 12 HA VAL 12 -4.305 16.646 -0.108
74 HB VAL 12 HB VAL 12 -6.289 17.180 1.361
75 1HG1 VAL 12 1HG1 VAL 12 -5.163 15.889 3.344
76 2HG1 VAL 12 2HG1 VAL 12 -4.348 17.443 3.643
77 3HG1 VAL 12 3HG1 VAL 12 -6.125 17.351 3.668
78 1HG2 VAL 12 1HG2 VAL 12 -3.716 18.738 1.345
79 2HG2 VAL 12 2HG2 VAL 12 -5.242 19.056 0.485
80 3HG2 VAL 12 3HG2 VAL 12 -5.128 19.358 2.235
81 H ASN 13 H ASN 13 -2.222 15.714 -0.357
82 HA ASN 13 HA ASN 13 -0.726 14.657 1.655
83 2HB ASN 13 2HB ASN 13 0.105 14.392 -0.569
84 1HD2 ASN 13 2HD2 ASN 13 1.869 17.050 -1.076
85 2HD2 ASN 13 1HD2 ASN 13 0.905 17.914 -2.225
86 H GLY 14 H GLY 14 -1.703 17.954 1.055
87 1HA GLY 14 1HA GLY 14 0.416 19.458 2.033
88 2HA GLY 14 2HA GLY 14 -1.279 19.899 2.096
89 HA PRO 15 HA PRO 15 -0.959 19.447 6.408
90 2HB PRO 15 2HB PRO 15 -2.534 21.087 6.764
91 2HG PRO 15 2HG PRO 15 -3.898 21.521 4.955
92 2HD PRO 15 2HD PRO 15 -2.547 20.796 3.242
93 H ARG 16 H ARG 16 -1.062 17.975 8.104
94 HA ARG 16 HA ARG 16 -2.041 15.439 7.124
95 2HB ARG 16 2HB ARG 16 -0.807 14.756 9.434
96 2HG ARG 16 2HG ARG 16 -0.038 14.933 6.660
97 2HD ARG 16 2HD ARG 16 2.548 14.877 7.370
98 HE ARG 16 HE ARG 16 1.074 16.700 5.968
99 1HH1 ARG 16 1HH1 ARG 16 3.533 17.111 8.452
100 2HH1 ARG 16 2HH1 ARG 16 4.073 18.641 7.846
101 1HH2 ARG 16 2HH2 ARG 16 1.786 18.719 5.168
102 2HH2 ARG 16 1HH2 ARG 16 3.073 19.562 5.964
103 H THR 17 H THR 17 -3.911 17.541 8.031
104 HA THR 17 HA THR 17 -4.842 16.458 10.594
105 HB THR 17 HB THR 17 -4.444 18.936 10.363
106 HG1 THR 17 HG1 THR 17 -6.137 18.671 11.779
107 1HG2 THR 17 1HG2 THR 17 -5.371 18.829 7.837
108 2HG2 THR 17 2HG2 THR 17 -6.934 19.075 8.653
109 3HG2 THR 17 3HG2 THR 17 -5.633 20.275 8.842
110 H LEU 18 H LEU 18 -5.756 16.946 7.165
111 HA LEU 18 HA LEU 18 -8.412 16.157 7.422
112 2HB LEU 18 2HB LEU 18 -8.097 15.541 4.961
113 HG LEU 18 HG LEU 18 -8.069 17.747 4.166
114 1HD1 LEU 18 1HD1 LEU 18 -9.871 17.115 5.893
115 2HD1 LEU 18 2HD1 LEU 18 -9.008 18.220 6.990
116 3HD1 LEU 18 3HD1 LEU 18 -9.681 18.831 5.458
117 1HD2 LEU 18 1HD2 LEU 18 -5.822 18.132 5.605
118 2HD2 LEU 18 2HD2 LEU 18 -6.763 19.450 4.866
119 3HD2 LEU 18 3HD2 LEU 18 -6.979 19.061 6.589
120 H CYS 19 H CYS 19 -6.958 13.982 5.211
121 HA CYS 19 HA CYS 19 -7.731 11.791 6.927
122 2HB CYS 19 2HB CYS 19 -6.641 10.996 4.373
123 H GLY 20 H GLY 20 -5.246 13.615 7.278
124 1HA GLY 20 1HA GLY 20 -3.099 13.390 7.900
125 2HA GLY 20 2HA GLY 20 -3.464 11.711 8.238
126 H ALA 21 H ALA 21 -1.156 13.344 6.811
127 HA ALA 21 HA ALA 21 -1.181 12.007 4.229
128 1HB ALA 21 1HB ALA 21 -0.493 14.480 4.760
129 2HB ALA 21 2HB ALA 21 1.038 13.752 5.303
130 3HB ALA 21 3HB ALA 21 0.492 13.529 3.623
131 H GLU 22 H GLU 22 -0.312 11.339 7.442
132 HA GLU 22 HA GLU 22 2.144 10.277 7.377
133 2HB GLU 22 2HB GLU 22 0.047 8.595 8.701
134 2HG GLU 22 2HG GLU 22 2.684 9.909 9.453
135 H LEU 23 H LEU 23 -0.846 8.271 6.817
136 HA LEU 23 HA LEU 23 0.039 5.947 6.102
137 2HB LEU 23 2HB LEU 23 -2.107 5.915 5.579
138 HG LEU 23 HG LEU 23 -3.359 7.811 4.466
139 1HD1 LEU 23 1HD1 LEU 23 -2.550 7.444 7.158
140 2HD1 LEU 23 2HD1 LEU 23 -2.534 9.195 6.834
141 3HD1 LEU 23 3HD1 LEU 23 -4.012 8.248 6.538
142 1HD2 LEU 23 1HD2 LEU 23 -1.031 8.808 3.699
143 2HD2 LEU 23 2HD2 LEU 23 -2.431 9.854 4.038
144 3HD2 LEU 23 3HD2 LEU 23 -1.149 9.660 5.257
145 H VAL 24 H VAL 24 0.636 8.910 4.181
146 HA VAL 24 HA VAL 24 2.037 7.378 2.166
147 HB VAL 24 HB VAL 24 1.650 10.358 2.511
148 1HG1 VAL 24 1HG1 VAL 24 3.306 8.848 0.731
149 2HG1 VAL 24 2HG1 VAL 24 1.984 9.579 -0.212
150 3HG1 VAL 24 3HG1 VAL 24 3.040 10.607 0.787
151 1HG2 VAL 24 1HG2 VAL 24 -0.109 8.221 1.474
152 2HG2 VAL 24 2HG2 VAL 24 -0.506 9.847 2.079
153 3HG2 VAL 24 3HG2 VAL 24 0.067 9.635 0.407
154 H ASP 25 H ASP 25 2.802 10.055 4.509
155 HA ASP 25 HA ASP 25 5.517 9.963 4.066
156 2HB ASP 25 2HB ASP 25 4.702 10.583 6.851
157 H ALA 26 H ALA 26 3.308 7.951 5.972
158 HA ALA 26 HA ALA 26 5.224 6.878 7.753
159 1HB ALA 26 1HB ALA 26 2.395 6.434 6.975
160 2HB ALA 26 2HB ALA 26 3.243 4.997 7.595
161 3HB ALA 26 3HB ALA 26 3.147 6.472 8.588
162 H LEU 27 H LEU 27 3.579 5.441 4.839
163 HA LEU 27 HA LEU 27 5.467 3.316 4.738
164 2HB LEU 27 2HB LEU 27 2.957 3.556 3.924
165 HG LEU 27 HG LEU 27 2.884 3.425 1.445
166 1HD1 LEU 27 1HD1 LEU 27 3.220 5.869 3.037
167 2HD1 LEU 27 2HD1 LEU 27 3.473 6.098 1.290
168 3HD1 LEU 27 3HD1 LEU 27 1.945 5.406 1.884
169 1HD2 LEU 27 1HD2 LEU 27 5.577 3.277 1.496
170 2HD2 LEU 27 2HD2 LEU 27 4.638 3.783 0.071
171 3HD2 LEU 27 3HD2 LEU 27 5.369 5.007 1.136
172 H GLN 28 H GLN 28 5.193 6.574 3.370
173 HA GLN 28 HA GLN 28 7.102 6.106 1.343
174 2HB GLN 28 2HB GLN 28 6.245 8.773 2.545
175 2HG GLN 28 2HG GLN 28 6.632 8.674 -0.336
176 1HE2 GLN 28 2HE2 GLN 28 8.120 9.469 2.795
177 2HE2 GLN 28 1HE2 GLN 28 8.352 11.162 2.508
178 H PHE 29 H PHE 29 7.287 6.464 4.748
179 HA PHE 29 HA PHE 29 9.856 7.767 4.745
180 2HB PHE 29 2HB PHE 29 7.666 7.028 6.567
181 HD1 PHE 29 HD1 PHE 29 11.368 6.734 6.943
182 HD2 PHE 29 HD2 PHE 29 7.542 5.826 8.539
183 HE1 PHE 29 HE1 PHE 29 12.444 5.336 8.728
184 HE2 PHE 29 HE2 PHE 29 8.619 4.428 10.324
185 HZ PHE 29 HZ PHE 29 11.057 4.200 10.398
186 H VAL 30 H VAL 30 8.520 4.522 5.704
187 HA VAL 30 HA VAL 30 11.161 3.468 6.025
188 HB VAL 30 HB VAL 30 8.353 2.544 6.346
189 1HG1 VAL 30 1HG1 VAL 30 10.688 0.625 6.033
190 2HG1 VAL 30 2HG1 VAL 30 9.070 0.195 6.638
191 3HG1 VAL 30 3HG1 VAL 30 9.273 0.757 4.961
192 1HG2 VAL 30 1HG2 VAL 30 10.656 3.149 7.994
193 2HG2 VAL 30 2HG2 VAL 30 8.956 2.911 8.463
194 3HG2 VAL 30 3HG2 VAL 30 10.049 1.512 8.341
195 H CYS 31 H CYS 31 8.415 2.958 3.704
196 HA CYS 31 HA CYS 31 9.698 1.165 2.073
197 2HB CYS 31 2HB CYS 31 7.989 3.098 0.663
198 H GLY 32 H GLY 32 10.039 4.680 2.455
199 1HA GLY 32 1HA GLY 32 12.307 5.437 1.772
200 2HA GLY 32 2HA GLY 32 11.969 4.714 0.212
201 H ASP 33 H ASP 33 12.036 7.618 1.835
202 HA ASP 33 HA ASP 33 9.975 9.088 1.608
203 2HB ASP 33 2HB ASP 33 12.186 10.102 -0.160
204 H ARG 34 H ARG 34 11.600 7.552 -1.195
205 HA ARG 34 HA ARG 34 10.482 8.902 -3.249
206 2HB ARG 34 2HB ARG 34 12.143 7.209 -3.696
207 2HG ARG 34 2HG ARG 34 10.191 5.385 -2.261
208 2HD ARG 34 2HD ARG 34 11.629 4.707 -4.673
209 HE ARG 34 HE ARG 34 12.603 2.862 -2.609
210 1HH1 ARG 34 1HH1 ARG 34 13.363 5.696 -4.550
211 2HH1 ARG 34 2HH1 ARG 34 15.077 5.499 -4.399
212 1HH2 ARG 34 1HH2 ARG 34 14.863 2.600 -2.408
213 2HH2 ARG 34 2HH2 ARG 34 15.936 3.726 -3.172
214 H GLY 35 H GLY 35 8.886 7.023 -0.832
215 1HA GLY 35 1HA GLY 35 6.722 6.502 -0.507
216 2HA GLY 35 2HA GLY 35 6.312 7.537 -1.861
217 H PHE 36 H PHE 36 5.323 4.776 -1.005
218 HA PHE 36 HA PHE 36 6.140 3.257 -3.369
219 2HB PHE 36 2HB PHE 36 5.804 2.662 -0.620
220 HD1 PHE 36 HD1 PHE 36 3.529 1.369 -3.295
221 HD2 PHE 36 HD2 PHE 36 4.130 2.088 0.843
222 HE1 PHE 36 HE1 PHE 36 1.223 0.506 -2.811
223 HE2 PHE 36 HE2 PHE 36 1.824 1.226 1.328
224 HZ PHE 36 HZ PHE 36 0.397 0.445 -0.505
225 H TYR 37 H TYR 37 4.754 3.019 -5.064
226 HA TYR 37 HA TYR 37 2.416 4.436 -5.283
227 2HB TYR 37 2HB TYR 37 2.799 1.708 -6.587
228 HD1 TYR 37 HD1 TYR 37 2.904 5.368 -7.456
229 HD2 TYR 37 HD2 TYR 37 1.221 1.518 -8.265
230 HE1 TYR 37 HE1 TYR 37 1.501 6.367 -9.325
231 HE2 TYR 37 HE2 TYR 37 -0.177 2.530 -10.131
232 HH TYR 37 HH TYR 37 0.292 4.843 -11.680
233 H PHE 38 H PHE 38 0.708 4.300 -3.885
234 HA PHE 38 HA PHE 38 0.024 1.919 -2.559
235 2HB PHE 38 2HB PHE 38 -1.883 3.314 -1.812
236 HD1 PHE 38 HD1 PHE 38 1.273 3.262 -1.443
237 HD2 PHE 38 HD2 PHE 38 -1.633 6.334 -1.792
238 HE1 PHE 38 HE1 PHE 38 2.751 4.808 -0.130
239 HE2 PHE 38 HE2 PHE 38 -0.155 7.881 -0.478
240 HZ PHE 38 HZ PHE 38 2.019 7.099 0.337
241 H ASN 39 H ASN 39 -2.830 3.365 -3.815
242 HA ASN 39 HA ASN 39 -3.869 1.071 -4.764
243 2HB ASN 39 2HB ASN 39 -4.413 3.880 -5.859
244 1HD2 ASN 39 2HD2 ASN 39 -6.394 4.165 -6.819
245 2HD2 ASN 39 1HD2 ASN 39 -7.372 2.863 -7.411
246 H LYS 40 H LYS 40 -2.417 -0.131 -6.143
247 HA LYS 40 HA LYS 40 -0.904 0.885 -8.189
248 2HB LYS 40 2HB LYS 40 -1.990 -1.773 -7.437
249 2HG LYS 40 2HG LYS 40 -0.548 -2.406 -9.692
250 2HD LYS 40 2HD LYS 40 -3.516 -1.918 -9.991
251 2HE LYS 40 2HE LYS 40 -3.047 -4.551 -10.536
252 1HZ LYS 40 1HZ LYS 40 -3.157 -2.153 -12.049
253 2HZ LYS 40 2HZ LYS 40 -2.321 -3.326 -12.818
254 3HZ LYS 40 3HZ LYS 40 -3.859 -3.599 -12.342
255 HA PRO 41 HA PRO 41 -4.639 0.311 -11.027
256 2HB PRO 41 2HB PRO 41 -6.028 -1.473 -10.592
257 2HG PRO 41 2HG PRO 41 -5.935 -2.259 -8.425
258 2HD PRO 41 2HD PRO 41 -3.835 -1.547 -7.822
259 H THR 42 H THR 42 -3.643 2.565 -9.891
260 HA THR 42 HA THR 42 -5.297 4.350 -8.759
261 HB THR 42 HB THR 42 -3.710 5.268 -11.152
262 HG1 THR 42 HG1 THR 42 -1.781 4.590 -9.926
263 1HG2 THR 42 1HG2 THR 42 -4.523 6.338 -8.616
264 2HG2 THR 42 2HG2 THR 42 -2.761 6.101 -8.532
265 3HG2 THR 42 3HG2 THR 42 -3.463 7.107 -9.821
266 H GLY 43 H GLY 43 -6.586 6.185 -9.612
267 1HA GLY 43 1HA GLY 43 -8.875 5.507 -10.793
268 2HA GLY 43 2HA GLY 43 -8.144 7.085 -11.003
269 H TYR 44 H TYR 44 -9.321 4.361 -12.625
270 HA TYR 44 HA TYR 44 -8.255 5.339 -15.123
271 2HB TYR 44 2HB TYR 44 -8.023 2.371 -14.460
272 HD1 TYR 44 HD1 TYR 44 -5.334 4.744 -15.412
273 HD2 TYR 44 HD2 TYR 44 -8.056 1.735 -16.771
274 HE1 TYR 44 HE1 TYR 44 -4.099 4.618 -17.630
275 HE2 TYR 44 HE2 TYR 44 -6.810 1.619 -18.984
276 HH TYR 44 HH TYR 44 -4.970 2.196 -20.043
277 H GLY 45 H GLY 45 -9.798 5.185 -16.694
278 1HA GLY 45 1HA GLY 45 -12.388 4.639 -16.298
279 2HA GLY 45 2HA GLY 45 -11.586 4.379 -17.835
280 H SER 46 H SER 46 -10.245 2.196 -17.935
281 HA SER 46 HA SER 46 -12.140 0.172 -17.254
282 2HB SER 46 2HB SER 46 -9.430 -0.067 -18.635
283 HG SER 46 HG SER 46 -11.024 -1.879 -19.613
284 H SER 47 H SER 47 -11.742 0.659 -14.831
285 HA SER 47 HA SER 47 -10.038 -1.370 -13.854
286 2HB SER 47 2HB SER 47 -9.331 1.527 -13.211
287 HG SER 47 HG SER 47 -7.646 0.579 -11.924
288 H SER 48 H SER 48 -12.467 -1.741 -13.378
289 HA SER 48 HA SER 48 -13.207 -0.235 -10.995
290 2HB SER 48 2HB SER 48 -14.843 -1.558 -13.173
291 HG SER 48 HG SER 48 -16.686 -1.431 -11.895
292 H ARG 49 H ARG 49 -11.875 -1.619 -9.614
293 HA ARG 49 HA ARG 49 -13.308 -3.893 -8.769
294 2HB ARG 49 2HB ARG 49 -10.771 -5.088 -9.059
295 2HG ARG 49 2HG ARG 49 -13.503 -5.428 -10.125
296 2HD ARG 49 2HD ARG 49 -12.634 -7.130 -11.869
297 HE ARG 49 HE ARG 49 -12.009 -4.429 -12.869
298 1HH1 ARG 49 1HH1 ARG 49 -14.537 -6.735 -12.047
299 2HH1 ARG 49 2HH1 ARG 49 -15.737 -5.963 -13.027
300 1HH2 ARG 49 1HH2 ARG 49 -13.593 -3.410 -14.163
301 2HH2 ARG 49 2HH2 ARG 49 -15.197 -4.058 -14.240
302 H ARG 50 H ARG 50 -12.160 -4.916 -6.788
303 HA ARG 50 HA ARG 50 -11.662 -3.201 -4.893
304 2HB ARG 50 2HB ARG 50 -10.155 -4.971 -3.815
305 2HG ARG 50 2HG ARG 50 -12.017 -6.884 -4.502
306 2HD ARG 50 2HD ARG 50 -12.511 -4.466 -2.695
307 HE ARG 50 HE ARG 50 -14.023 -6.929 -3.121
308 1HH1 ARG 50 1HH1 ARG 50 -13.132 -4.501 -0.736
309 2HH1 ARG 50 2HH1 ARG 50 -14.515 -4.792 0.266
310 1HH2 ARG 50 1HH2 ARG 50 -15.847 -7.315 -1.801
311 2HH2 ARG 50 2HH2 ARG 50 -16.069 -6.404 -0.343
312 H ALA 51 H ALA 51 -10.473 -1.300 -5.287
313 HA ALA 51 HA ALA 51 -7.769 -1.598 -6.339
314 1HB ALA 51 1HB ALA 51 -9.730 0.159 -6.962
315 2HB ALA 51 2HB ALA 51 -8.925 1.070 -5.661
316 3HB ALA 51 3HB ALA 51 -7.999 0.553 -7.092
317 H CYS 52 H CYS 52 -5.949 -0.540 -5.230
318 HA CYS 52 HA CYS 52 -4.687 -0.586 -3.396
319 2HB CYS 52 2HB CYS 52 -4.971 1.684 -3.258
320 HG CYS 52 HG CYS 52 -7.359 1.550 -4.454
321 H GLN 53 H GLN 53 -5.444 -2.908 -2.982
322 HA GLN 53 HA GLN 53 -7.507 -3.641 -1.446
323 2HB GLN 53 2HB GLN 53 -6.383 -5.517 -2.098
324 2HG GLN 53 2HG GLN 53 -3.669 -5.387 -1.750
325 1HE2 GLN 53 2HE2 GLN 53 -4.513 -6.904 -3.341
326 2HE2 GLN 53 1HE2 GLN 53 -4.626 -6.433 -5.005
327 H THR 54 H THR 54 -4.177 -2.924 -0.150
328 HA THR 54 HA THR 54 -5.415 -2.483 2.474
329 HB THR 54 HB THR 54 -3.545 -4.182 2.185
330 HG1 THR 54 HG1 THR 54 -3.810 -3.121 4.227
331 1HG2 THR 54 1HG2 THR 54 -1.878 -1.654 1.722
332 2HG2 THR 54 2HG2 THR 54 -1.246 -3.304 1.934
333 3HG2 THR 54 3HG2 THR 54 -2.190 -2.893 0.483
334 H GLY 55 H GLY 55 -5.593 -0.584 0.154
335 1HA GLY 55 1HA GLY 55 -4.276 1.515 -0.236
336 2HA GLY 55 2HA GLY 55 -5.829 1.743 0.543
337 H ILE 56 H ILE 56 -2.331 1.869 0.912
338 HA ILE 56 HA ILE 56 -2.141 2.012 3.676
339 HB ILE 56 HB ILE 56 -0.480 2.385 1.389
340 2HG1 ILE 56 2HG1 ILE 56 0.008 1.878 4.331
341 1HG2 ILE 56 1HG2 ILE 56 -0.463 4.650 3.355
342 2HG2 ILE 56 2HG2 ILE 56 1.064 4.099 2.625
343 3HG2 ILE 56 3HG2 ILE 56 -0.265 4.669 1.586
344 1HD1 ILE 56 1HD1 ILE 56 -0.542 0.267 1.907
345 2HD1 ILE 56 2HD1 ILE 56 0.889 -0.271 2.817
346 3HD1 ILE 56 3HD1 ILE 56 -0.694 -0.176 3.624
347 H VAL 57 H VAL 57 -3.711 4.113 1.442
348 HA VAL 57 HA VAL 57 -3.685 6.250 3.461
349 HB VAL 57 HB VAL 57 -4.554 6.949 0.754
350 1HG1 VAL 57 1HG1 VAL 57 -4.038 8.478 2.737
351 2HG1 VAL 57 2HG1 VAL 57 -2.321 8.154 2.403
352 3HG1 VAL 57 3HG1 VAL 57 -3.336 8.935 1.167
353 1HG2 VAL 57 1HG2 VAL 57 -1.830 5.748 1.208
354 2HG2 VAL 57 2HG2 VAL 57 -2.948 5.541 -0.162
355 3HG2 VAL 57 3HG2 VAL 57 -2.045 7.063 0.029
356 H ASP 58 H ASP 58 -5.620 4.356 1.080
357 HA ASP 58 HA ASP 58 -8.033 5.536 2.003
358 2HB ASP 58 2HB ASP 58 -8.866 3.347 0.617
359 H GLU 59 H GLU 59 -6.003 2.695 2.658
360 HA GLU 59 HA GLU 59 -8.118 1.447 4.179
361 2HB GLU 59 2HB GLU 59 -5.340 0.307 4.079
362 2HG GLU 59 2HG GLU 59 -7.493 -1.437 3.242
363 H CYS 60 H CYS 60 -5.322 3.511 4.559
364 HA CYS 60 HA CYS 60 -4.861 2.792 7.288
365 2HB CYS 60 2HB CYS 60 -3.491 5.027 7.122
366 H CYS 61 H CYS 61 -6.589 5.299 5.377
367 HA CYS 61 HA CYS 61 -7.268 6.818 7.695
368 2HB CYS 61 2HB CYS 61 -8.921 7.301 5.350
369 H PHE 62 H PHE 62 -8.655 4.226 5.657
370 HA PHE 62 HA PHE 62 -11.224 4.417 6.947
371 2HB PHE 62 2HB PHE 62 -9.911 2.389 5.038
372 HD1 PHE 62 HD1 PHE 62 -11.085 0.544 6.284
373 HD2 PHE 62 HD2 PHE 62 -13.198 3.698 4.388
374 HE1 PHE 62 HE1 PHE 62 -13.185 -0.831 6.334
375 HE2 PHE 62 HE2 PHE 62 -15.297 2.323 4.438
376 HZ PHE 62 HZ PHE 62 -15.265 0.075 5.410
377 H ARG 63 H ARG 63 -8.542 1.970 6.714
378 HA ARG 63 HA ARG 63 -9.657 0.797 9.129
379 2HB ARG 63 2HB ARG 63 -7.770 -1.023 8.196
380 2HG ARG 63 2HG ARG 63 -10.299 -1.453 6.822
381 2HD ARG 63 2HD ARG 63 -10.345 -3.016 9.101
382 HE ARG 63 HE ARG 63 -9.804 -3.467 6.408
383 1HH1 ARG 63 1HH1 ARG 63 -8.509 -4.710 9.435
384 2HH1 ARG 63 2HH1 ARG 63 -8.085 -6.251 8.769
385 1HH2 ARG 63 1HH2 ARG 63 -9.244 -5.500 5.528
386 2HH2 ARG 63 2HH2 ARG 63 -8.505 -6.704 6.532
387 H SER 64 H SER 64 -8.613 2.087 10.721
388 HA SER 64 HA SER 64 -6.422 3.314 10.934
389 2HB SER 64 2HB SER 64 -6.026 1.801 13.203
390 HG SER 64 HG SER 64 -6.793 4.108 12.934
391 H CYS 65 H CYS 65 -4.718 2.853 9.481
392 HA CYS 65 HA CYS 65 -3.241 0.406 10.119
393 2HB CYS 65 2HB CYS 65 -4.487 0.874 7.726
394 H ASP 66 H ASP 66 -1.699 1.351 11.493
395 HA ASP 66 HA ASP 66 -0.710 3.903 11.157
396 2HB ASP 66 2HB ASP 66 1.138 3.116 12.683
397 H LEU 67 H LEU 67 2.094 2.042 11.507
398 HA LEU 67 HA LEU 67 2.899 2.637 8.776
399 2HB LEU 67 2HB LEU 67 5.132 1.735 9.990
400 HG LEU 67 HG LEU 67 4.380 4.174 9.093
401 1HD1 LEU 67 1HD1 LEU 67 4.543 4.406 12.103
402 2HD1 LEU 67 2HD1 LEU 67 4.786 5.780 10.998
403 3HD1 LEU 67 3HD1 LEU 67 3.225 4.924 11.024
404 1HD2 LEU 67 1HD2 LEU 67 6.764 2.942 10.127
405 2HD2 LEU 67 2HD2 LEU 67 6.583 4.177 8.857
406 3HD2 LEU 67 3HD2 LEU 67 6.736 4.668 10.561
407 H ARG 68 H ARG 68 2.201 -0.059 10.985
408 HA ARG 68 HA ARG 68 3.460 -2.120 9.976
409 2HB ARG 68 2HB ARG 68 0.449 -2.382 10.227
410 2HG ARG 68 2HG ARG 68 2.443 -3.982 11.801
411 2HD ARG 68 2HD ARG 68 -0.323 -4.176 10.908
412 HE ARG 68 HE ARG 68 1.468 -6.057 9.613
413 1HH1 ARG 68 1HH1 ARG 68 -1.678 -5.791 11.166
414 2HH1 ARG 68 2HH1 ARG 68 -2.355 -7.140 10.317
415 1HH2 ARG 68 1HH2 ARG 68 0.576 -7.837 8.491
416 2HH2 ARG 68 2HH2 ARG 68 -1.064 -8.312 8.784
417 H ARG 69 H ARG 69 0.341 -0.856 8.572
418 HA ARG 69 HA ARG 69 0.297 -2.578 6.439
419 2HB ARG 69 2HB ARG 69 -0.777 0.105 5.816
420 2HG ARG 69 2HG ARG 69 -1.494 -2.290 5.002
421 2HD ARG 69 2HD ARG 69 -3.517 -2.211 7.199
422 HE ARG 69 HE ARG 69 -2.416 -4.162 5.347
423 1HH1 ARG 69 1HH1 ARG 69 -4.003 -3.824 8.470
424 2HH1 ARG 69 2HH1 ARG 69 -4.678 -5.418 8.444
425 1HH2 ARG 69 1HH2 ARG 69 -3.307 -6.267 5.312
426 2HH2 ARG 69 2HH2 ARG 69 -4.279 -6.817 6.635
427 H LEU 70 H LEU 70 1.863 0.629 6.889
428 HA LEU 70 HA LEU 70 2.482 1.349 4.368
429 2HB LEU 70 2HB LEU 70 3.187 2.140 6.872
430 HG LEU 70 HG LEU 70 5.192 0.714 6.975
431 1HD1 LEU 70 1HD1 LEU 70 5.461 1.481 4.228
432 2HD1 LEU 70 2HD1 LEU 70 6.920 1.976 5.119
433 3HD1 LEU 70 3HD1 LEU 70 6.385 0.279 5.160
434 1HD2 LEU 70 1HD2 LEU 70 5.050 3.523 7.351
435 2HD2 LEU 70 2HD2 LEU 70 6.086 2.340 8.186
436 3HD2 LEU 70 3HD2 LEU 70 6.668 3.151 6.712
437 H GLU 71 H GLU 71 4.108 -1.183 6.359
438 HA GLU 71 HA GLU 71 5.913 -1.734 4.214
439 2HB GLU 71 2HB GLU 71 6.015 -3.819 6.152
440 2HG GLU 71 2HG GLU 71 7.951 -1.967 6.901
441 H MET 72 H MET 72 2.779 -2.827 5.382
442 HA MET 72 HA MET 72 2.803 -5.397 4.375
443 2HB MET 72 2HB MET 72 0.217 -4.932 4.271
444 2HG MET 72 2HG MET 72 0.136 -4.536 6.830
445 1HE MET 72 1HE MET 72 -0.997 -6.355 5.180
446 2HE MET 72 2HE MET 72 -0.684 -8.065 5.563
447 3HE MET 72 3HE MET 72 -1.200 -6.945 6.847
448 H TYR 73 H TYR 73 1.923 -2.247 2.845
449 HA TYR 73 HA TYR 73 1.506 -3.655 0.313
450 2HB TYR 73 2HB TYR 73 1.194 -0.669 0.786
451 HD1 TYR 73 HD1 TYR 73 1.115 -3.096 -1.503
452 HD2 TYR 73 HD2 TYR 73 -1.640 -0.362 0.297
453 HE1 TYR 73 HE1 TYR 73 -0.366 -3.218 -3.566
454 HE2 TYR 73 HE2 TYR 73 -3.112 -0.494 -1.772
455 HH TYR 73 HH TYR 73 -2.020 -2.091 -4.661
456 H CYS 74 H CYS 74 3.826 -1.753 2.082
457 HA CYS 74 HA CYS 74 5.188 -0.127 0.791
458 2HB CYS 74 2HB CYS 74 7.009 -2.393 0.924
459 H ALA 75 H ALA 75 3.552 -0.867 -1.278
460 HA ALA 75 HA ALA 75 4.682 -2.618 -3.149
461 1HB ALA 75 1HB ALA 75 2.321 -1.252 -2.854
462 2HB ALA 75 2HB ALA 75 3.093 -0.335 -4.169
463 3HB ALA 75 3HB ALA 75 2.824 -2.085 -4.344
464 HA PRO 76 HA PRO 76 7.978 0.061 -4.277
465 2HB PRO 76 2HB PRO 76 9.577 -1.561 -3.940
466 2HG PRO 76 2HG PRO 76 8.749 -3.704 -3.741
467 2HD PRO 76 2HD PRO 76 6.607 -3.250 -3.044
468 H LEU 77 H LEU 77 5.478 -1.091 -5.996
469 HA LEU 77 HA LEU 77 6.012 -1.025 -8.589
470 2HB LEU 77 2HB LEU 77 3.796 0.681 -8.343
471 HG LEU 77 HG LEU 77 4.273 -2.117 -9.004
472 1HD1 LEU 77 1HD1 LEU 77 1.987 -1.458 -7.203
473 2HD1 LEU 77 2HD1 LEU 77 1.694 -2.569 -8.564
474 3HD1 LEU 77 3HD1 LEU 77 2.942 -2.952 -7.353
475 1HD2 LEU 77 1HD2 LEU 77 2.415 0.084 -9.869
476 2HD2 LEU 77 2HD2 LEU 77 3.704 -0.738 -10.781
477 3HD2 LEU 77 3HD2 LEU 77 2.178 -1.587 -10.436
478 H LYS 78 H LYS 78 7.171 0.219 -9.952
479 HA LYS 78 HA LYS 78 8.383 2.567 -9.173
480 2HB LYS 78 2HB LYS 78 9.490 2.189 -11.061
481 2HG LYS 78 2HG LYS 78 7.268 0.191 -11.706
482 2HD LYS 78 2HD LYS 78 8.880 -0.881 -13.167
483 2HE LYS 78 2HE LYS 78 9.115 2.115 -13.702
484 1HZ LYS 78 1HZ LYS 78 9.593 -0.282 -15.182
485 2HZ LYS 78 2HZ LYS 78 8.675 0.809 -15.977
486 3HZ LYS 78 3HZ LYS 78 10.157 1.230 -15.435
487 HA PRO 79 HA PRO 79 5.372 5.616 -9.676
488 2HB PRO 79 2HB PRO 79 6.679 7.197 -8.630
489 2HG PRO 79 2HG PRO 79 8.944 6.765 -8.688
490 2HD PRO 79 2HD PRO 79 8.918 4.483 -8.960
491 H ALA 80 H ALA 80 5.216 7.886 -11.274
492 HA ALA 80 HA ALA 80 5.634 7.079 -13.978
493 1HB ALA 80 1HB ALA 80 3.312 6.092 -12.756
494 2HB ALA 80 2HB ALA 80 2.762 7.524 -13.660
495 3HB ALA 80 3HB ALA 80 3.622 6.213 -14.505
496 H LYS 81 H LYS 81 3.586 9.132 -11.787
497 HA LYS 81 HA LYS 81 4.876 11.491 -12.429
498 2HB LYS 81 2HB LYS 81 2.478 10.912 -14.181
499 2HG LYS 81 2HG LYS 81 3.410 13.449 -13.000
500 2HD LYS 81 2HD LYS 81 2.916 14.541 -15.392
501 2HE LYS 81 2HE LYS 81 5.466 14.401 -15.852
502 1HZ LYS 81 1HZ LYS 81 4.043 15.716 -13.927
503 2HZ LYS 81 2HZ LYS 81 5.383 15.183 -13.160
504 3HZ LYS 81 3HZ LYS 81 5.522 16.115 -14.493
505 H SER 82 H SER 82 3.870 10.049 -10.163
506 HA SER 82 HA SER 82 1.591 10.397 -9.083
507 2HB SER 82 2HB SER 82 4.192 11.407 -7.856
508 HG SER 82 HG SER 82 1.596 11.357 -6.829
509 H ALA 83 H ALA 83 3.807 13.221 -8.532
510 HA ALA 83 HA ALA 83 1.844 15.035 -7.952
511 1HB ALA 83 1HB ALA 83 4.654 15.192 -9.023
512 2HB ALA 83 2HB ALA 83 3.683 16.679 -8.908
513 3HB ALA 83 3HB ALA 83 4.010 15.714 -7.447
Start of MODEL 14
1 H MET 1 H MET 1 -11.886 12.267 1.780
2 HA MET 1 HA MET 1 -12.322 12.218 4.653
3 2HB MET 1 2HB MET 1 -13.095 14.287 3.730
4 2HG MET 1 2HG MET 1 -14.819 13.952 1.649
5 1HE MET 1 1HE MET 1 -13.976 14.125 -0.728
6 2HE MET 1 2HE MET 1 -13.905 15.872 -0.394
7 3HE MET 1 3HE MET 1 -12.539 15.063 -1.200
8 H PHE 2 H PHE 2 -13.250 10.712 1.564
9 HA PHE 2 HA PHE 2 -14.365 8.866 1.103
10 2HB PHE 2 2HB PHE 2 -14.450 7.149 2.834
11 HD1 PHE 2 HD1 PHE 2 -12.139 8.938 1.495
12 HD2 PHE 2 HD2 PHE 2 -12.771 7.189 5.309
13 HE1 PHE 2 HE1 PHE 2 -9.658 8.838 1.859
14 HE2 PHE 2 HE2 PHE 2 -10.290 7.089 5.673
15 HZ PHE 2 HZ PHE 2 -8.763 7.914 3.945
16 HA PRO 3 HA PRO 3 -18.531 9.901 1.696
17 2HB PRO 3 2HB PRO 3 -19.105 9.073 -0.375
18 2HG PRO 3 2HG PRO 3 -17.625 7.528 -1.238
19 2HD PRO 3 2HD PRO 3 -15.713 8.119 -0.107
20 H ALA 4 H ALA 4 -19.166 6.501 1.920
21 HA ALA 4 HA ALA 4 -20.876 6.287 3.793
22 1HB ALA 4 1HB ALA 4 -18.562 4.729 3.050
23 2HB ALA 4 2HB ALA 4 -18.838 4.577 4.802
24 3HB ALA 4 3HB ALA 4 -20.139 4.170 3.657
25 H MET 5 H MET 5 -17.593 6.021 5.241
26 HA MET 5 HA MET 5 -18.604 7.650 7.420
27 2HB MET 5 2HB MET 5 -16.319 6.662 8.434
28 2HG MET 5 2HG MET 5 -18.591 6.001 9.219
29 1HE MET 5 1HE MET 5 -17.082 3.500 6.902
30 2HE MET 5 2HE MET 5 -18.278 2.334 7.517
31 3HE MET 5 3HE MET 5 -18.393 2.927 5.843
32 HA PRO 6 HA PRO 6 -15.930 10.799 5.943
33 2HB PRO 6 2HB PRO 6 -17.553 12.417 6.162
34 2HG PRO 6 2HG PRO 6 -19.351 11.807 7.472
35 2HD PRO 6 2HD PRO 6 -19.237 9.518 7.280
36 H LEU 7 H LEU 7 -13.890 10.032 6.324
37 HA LEU 7 HA LEU 7 -13.024 10.248 9.099
38 2HB LEU 7 2HB LEU 7 -10.988 9.245 7.388
39 HG LEU 7 HG LEU 7 -12.442 8.369 9.739
40 1HD1 LEU 7 1HD1 LEU 7 -11.979 6.318 7.567
41 2HD1 LEU 7 2HD1 LEU 7 -12.106 5.898 9.291
42 3HD1 LEU 7 3HD1 LEU 7 -13.478 6.670 8.460
43 1HD2 LEU 7 1HD2 LEU 7 -9.740 7.702 8.545
44 2HD2 LEU 7 2HD2 LEU 7 -10.107 8.887 9.822
45 3HD2 LEU 7 3HD2 LEU 7 -10.299 7.147 10.141
46 H SER 8 H SER 8 -12.191 12.153 9.747
47 HA SER 8 HA SER 8 -10.127 13.325 8.219
48 2HB SER 8 2HB SER 8 -11.411 14.715 6.969
49 HG SER 8 HG SER 8 -13.675 15.031 7.356
50 H SER 9 H SER 9 -9.743 12.330 10.626
51 HA SER 9 HA SER 9 -9.302 14.628 12.223
52 2HB SER 9 2HB SER 9 -11.662 14.085 12.836
53 HG SER 9 HG SER 9 -11.508 11.743 12.550
54 H LEU 10 H LEU 10 -7.099 13.901 11.875
55 HA LEU 10 HA LEU 10 -5.990 12.420 13.865
56 2HB LEU 10 2HB LEU 10 -5.652 10.507 11.729
57 HG LEU 10 HG LEU 10 -6.369 8.863 13.382
58 1HD1 LEU 10 1HD1 LEU 10 -4.039 9.711 13.392
59 2HD1 LEU 10 2HD1 LEU 10 -4.503 10.890 14.642
60 3HD1 LEU 10 3HD1 LEU 10 -4.591 9.145 14.988
61 1HD2 LEU 10 1HD2 LEU 10 -7.227 11.290 14.946
62 2HD2 LEU 10 2HD2 LEU 10 -8.148 9.821 14.545
63 3HD2 LEU 10 3HD2 LEU 10 -6.842 9.751 15.752
64 H PHE 11 H PHE 11 -6.032 13.539 10.511
65 HA PHE 11 HA PHE 11 -3.339 14.492 10.858
66 2HB PHE 11 2HB PHE 11 -3.638 13.149 8.248
67 HD1 PHE 11 HD1 PHE 11 -1.433 14.244 8.058
68 HD2 PHE 11 HD2 PHE 11 -2.169 11.241 10.964
69 HE1 PHE 11 HE1 PHE 11 1.039 13.947 8.375
70 HE2 PHE 11 HE2 PHE 11 0.304 10.942 11.282
71 HZ PHE 11 HZ PHE 11 1.878 12.299 9.984
72 H VAL 12 H VAL 12 -6.512 14.781 9.813
73 HA VAL 12 HA VAL 12 -6.161 16.202 7.399
74 HB VAL 12 HB VAL 12 -8.373 15.960 9.431
75 1HG1 VAL 12 1HG1 VAL 12 -8.068 17.952 7.291
76 2HG1 VAL 12 2HG1 VAL 12 -9.572 17.006 7.178
77 3HG1 VAL 12 3HG1 VAL 12 -9.198 17.906 8.667
78 1HG2 VAL 12 1HG2 VAL 12 -7.750 14.762 6.743
79 2HG2 VAL 12 2HG2 VAL 12 -8.282 13.970 8.246
80 3HG2 VAL 12 3HG2 VAL 12 -9.442 14.911 7.277
81 H ASN 13 H ASN 13 -4.318 17.595 7.960
82 HA ASN 13 HA ASN 13 -5.023 19.717 9.802
83 2HB ASN 13 2HB ASN 13 -2.367 19.942 8.567
84 1HD2 ASN 13 2HD2 ASN 13 -1.193 18.547 10.887
85 2HD2 ASN 13 1HD2 ASN 13 -1.457 19.559 12.267
86 H GLY 14 H GLY 14 -3.596 19.145 6.495
87 1HA GLY 14 1HA GLY 14 -4.720 21.750 5.652
88 2HA GLY 14 2HA GLY 14 -3.145 21.174 5.144
89 HA PRO 15 HA PRO 15 -5.943 19.710 1.948
90 2HB PRO 15 2HB PRO 15 -5.579 21.424 0.454
91 2HG PRO 15 2HG PRO 15 -3.832 22.825 1.003
92 2HD PRO 15 2HD PRO 15 -3.743 22.497 3.277
93 H ARG 16 H ARG 16 -2.439 19.294 1.852
94 HA ARG 16 HA ARG 16 -2.968 16.581 0.985
95 2HB ARG 16 2HB ARG 16 -0.230 16.829 0.882
96 2HG ARG 16 2HG ARG 16 -2.263 17.794 -1.183
97 2HD ARG 16 2HD ARG 16 -0.461 17.327 -2.844
98 HE ARG 16 HE ARG 16 -0.311 19.636 -2.330
99 1HH1 ARG 16 1HH1 ARG 16 1.352 17.709 0.099
100 2HH1 ARG 16 2HH1 ARG 16 2.146 19.071 0.819
101 1HH2 ARG 16 1HH2 ARG 16 0.735 21.432 -1.381
102 2HH2 ARG 16 2HH2 ARG 16 1.792 21.202 -0.028
103 H THR 17 H THR 17 -1.555 18.586 3.576
104 HA THR 17 HA THR 17 -0.222 16.492 4.934
105 HB THR 17 HB THR 17 0.067 18.195 6.641
106 HG1 THR 17 HG1 THR 17 -2.167 19.447 5.202
107 1HG2 THR 17 1HG2 THR 17 0.793 18.770 4.079
108 2HG2 THR 17 2HG2 THR 17 -0.394 20.071 4.335
109 3HG2 THR 17 3HG2 THR 17 1.019 19.931 5.409
110 H LEU 18 H LEU 18 -3.440 16.715 4.218
111 HA LEU 18 HA LEU 18 -4.597 16.166 6.732
112 2HB LEU 18 2HB LEU 18 -5.776 17.071 4.753
113 HG LEU 18 HG LEU 18 -6.364 15.917 2.895
114 1HD1 LEU 18 1HD1 LEU 18 -3.714 14.776 3.748
115 2HD1 LEU 18 2HD1 LEU 18 -4.461 14.306 2.202
116 3HD1 LEU 18 3HD1 LEU 18 -4.073 16.014 2.521
117 1HD2 LEU 18 1HD2 LEU 18 -7.282 14.039 4.529
118 2HD2 LEU 18 2HD2 LEU 18 -7.101 13.761 2.780
119 3HD2 LEU 18 3HD2 LEU 18 -5.867 13.155 3.910
120 H CYS 19 H CYS 19 -6.149 13.799 6.092
121 HA CYS 19 HA CYS 19 -4.314 11.878 7.041
122 2HB CYS 19 2HB CYS 19 -6.977 11.108 5.920
123 H GLY 20 H GLY 20 -3.727 13.180 4.379
124 1HA GLY 20 1HA GLY 20 -3.694 10.733 2.715
125 2HA GLY 20 2HA GLY 20 -3.951 12.338 2.063
126 H ALA 21 H ALA 21 -1.901 13.034 4.517
127 HA ALA 21 HA ALA 21 0.433 12.732 2.772
128 1HB ALA 21 1HB ALA 21 -0.561 14.782 4.690
129 2HB ALA 21 2HB ALA 21 1.196 14.491 4.699
130 3HB ALA 21 3HB ALA 21 0.381 14.977 3.193
131 H GLU 22 H GLU 22 -1.116 11.422 5.531
132 HA GLU 22 HA GLU 22 1.294 10.834 6.937
133 2HB GLU 22 2HB GLU 22 -1.618 10.051 7.303
134 2HG GLU 22 2HG GLU 22 -0.029 9.454 9.628
135 H LEU 23 H LEU 23 -1.319 8.573 5.815
136 HA LEU 23 HA LEU 23 -0.007 6.275 5.802
137 2HB LEU 23 2HB LEU 23 -2.096 5.936 5.092
138 HG LEU 23 HG LEU 23 -3.142 7.274 3.136
139 1HD1 LEU 23 1HD1 LEU 23 -3.219 7.533 5.923
140 2HD1 LEU 23 2HD1 LEU 23 -3.093 9.196 5.301
141 3HD1 LEU 23 3HD1 LEU 23 -4.409 8.134 4.744
142 1HD2 LEU 23 1HD2 LEU 23 -0.911 8.394 2.614
143 2HD2 LEU 23 2HD2 LEU 23 -2.349 9.441 2.677
144 3HD2 LEU 23 3HD2 LEU 23 -1.210 9.409 4.045
145 H VAL 24 H VAL 24 0.556 8.982 3.555
146 HA VAL 24 HA VAL 24 2.275 7.430 1.868
147 HB VAL 24 HB VAL 24 1.324 9.086 0.659
148 1HG1 VAL 24 1HG1 VAL 24 1.426 10.803 3.152
149 2HG1 VAL 24 2HG1 VAL 24 0.940 11.433 1.560
150 3HG1 VAL 24 3HG1 VAL 24 -0.003 10.134 2.328
151 1HG2 VAL 24 1HG2 VAL 24 3.849 9.350 0.637
152 2HG2 VAL 24 2HG2 VAL 24 2.915 10.767 0.102
153 3HG2 VAL 24 3HG2 VAL 24 3.628 10.735 1.732
154 H ASP 25 H ASP 25 2.561 9.584 4.703
155 HA ASP 25 HA ASP 25 5.331 9.902 4.480
156 2HB ASP 25 2HB ASP 25 4.599 10.070 7.226
157 H ALA 26 H ALA 26 3.150 7.417 5.751
158 HA ALA 26 HA ALA 26 4.968 6.190 7.532
159 1HB ALA 26 1HB ALA 26 2.317 6.028 7.138
160 2HB ALA 26 2HB ALA 26 2.812 4.624 6.163
161 3HB ALA 26 3HB ALA 26 3.244 4.707 7.888
162 H LEU 27 H LEU 27 3.851 5.308 4.181
163 HA LEU 27 HA LEU 27 5.719 3.239 3.900
164 2HB LEU 27 2HB LEU 27 5.028 3.156 1.640
165 HG LEU 27 HG LEU 27 3.043 3.367 3.672
166 1HD1 LEU 27 1HD1 LEU 27 2.546 5.473 2.133
167 2HD1 LEU 27 2HD1 LEU 27 1.766 4.236 1.120
168 3HD1 LEU 27 3HD1 LEU 27 1.243 4.464 2.806
169 1HD2 LEU 27 1HD2 LEU 27 3.644 1.376 2.320
170 2HD2 LEU 27 2HD2 LEU 27 1.895 1.702 2.358
171 3HD2 LEU 27 3HD2 LEU 27 2.847 2.125 0.914
172 H GLN 28 H GLN 28 6.014 6.706 3.820
173 HA GLN 28 HA GLN 28 8.408 6.574 2.228
174 2HB GLN 28 2HB GLN 28 7.205 8.993 3.636
175 2HG GLN 28 2HG GLN 28 8.421 9.498 1.065
176 1HE2 GLN 28 2HE2 GLN 28 8.956 9.376 4.577
177 2HE2 GLN 28 1HE2 GLN 28 9.343 11.049 4.802
178 H PHE 29 H PHE 29 7.480 6.174 5.495
179 HA PHE 29 HA PHE 29 9.867 7.326 6.618
180 2HB PHE 29 2HB PHE 29 7.290 6.022 7.447
181 HD1 PHE 29 HD1 PHE 29 10.751 6.199 8.784
182 HD2 PHE 29 HD2 PHE 29 6.809 4.730 9.339
183 HE1 PHE 29 HE1 PHE 29 11.548 4.784 10.698
184 HE2 PHE 29 HE2 PHE 29 7.606 3.314 11.253
185 HZ PHE 29 HZ PHE 29 9.965 3.358 11.910
186 H VAL 30 H VAL 30 8.465 4.032 6.058
187 HA VAL 30 HA VAL 30 11.035 2.892 6.853
188 HB VAL 30 HB VAL 30 8.213 1.980 6.745
189 1HG1 VAL 30 1HG1 VAL 30 10.559 0.108 6.291
190 2HG1 VAL 30 2HG1 VAL 30 8.931 -0.415 6.780
191 3HG1 VAL 30 3HG1 VAL 30 9.173 0.385 5.209
192 1HG2 VAL 30 1HG2 VAL 30 10.561 1.771 8.619
193 2HG2 VAL 30 2HG2 VAL 30 8.934 2.433 8.909
194 3HG2 VAL 30 3HG2 VAL 30 9.171 0.673 8.791
195 H CYS 31 H CYS 31 8.608 2.884 4.161
196 HA CYS 31 HA CYS 31 10.010 1.259 2.447
197 2HB CYS 31 2HB CYS 31 8.654 3.416 1.050
198 H GLY 32 H GLY 32 10.517 4.608 3.471
199 1HA GLY 32 1HA GLY 32 12.904 5.260 3.159
200 2HA GLY 32 2HA GLY 32 12.671 4.890 1.463
201 H ASP 33 H ASP 33 12.895 7.428 3.539
202 HA ASP 33 HA ASP 33 10.883 9.072 3.408
203 2HB ASP 33 2HB ASP 33 12.500 10.957 3.112
204 H ARG 34 H ARG 34 12.645 7.768 0.647
205 HA ARG 34 HA ARG 34 12.187 9.680 -1.239
206 2HB ARG 34 2HB ARG 34 12.232 7.674 -2.872
207 2HG ARG 34 2HG ARG 34 14.574 6.895 -1.925
208 2HD ARG 34 2HD ARG 34 13.684 9.241 -3.336
209 HE ARG 34 HE ARG 34 14.723 10.925 -2.111
210 1HH1 ARG 34 1HH1 ARG 34 16.510 7.935 -1.612
211 2HH1 ARG 34 2HH1 ARG 34 17.711 8.671 -0.605
212 1HH2 ARG 34 1HH2 ARG 34 16.306 11.897 -0.782
213 2HH2 ARG 34 2HH2 ARG 34 17.594 10.940 -0.129
214 H GLY 35 H GLY 35 9.920 7.715 0.482
215 1HA GLY 35 1HA GLY 35 7.643 7.853 0.423
216 2HA GLY 35 2HA GLY 35 7.719 8.781 -1.061
217 H PHE 36 H PHE 36 6.177 6.240 -0.143
218 HA PHE 36 HA PHE 36 7.147 4.386 -2.179
219 2HB PHE 36 2HB PHE 36 5.892 4.287 0.458
220 HD1 PHE 36 HD1 PHE 36 3.504 5.104 -0.414
221 HD2 PHE 36 HD2 PHE 36 5.134 1.237 -1.050
222 HE1 PHE 36 HE1 PHE 36 1.193 4.187 -0.754
223 HE2 PHE 36 HE2 PHE 36 2.822 0.320 -1.390
224 HZ PHE 36 HZ PHE 36 0.880 1.805 -1.239
225 H TYR 37 H TYR 37 5.677 3.475 -3.763
226 HA TYR 37 HA TYR 37 3.774 5.431 -4.681
227 2HB TYR 37 2HB TYR 37 3.979 2.691 -5.893
228 HD1 TYR 37 HD1 TYR 37 2.055 4.477 -6.805
229 HD2 TYR 37 HD2 TYR 37 6.247 4.572 -7.653
230 HE1 TYR 37 HE1 TYR 37 1.601 5.776 -8.943
231 HE2 TYR 37 HE2 TYR 37 5.779 5.870 -9.788
232 HH TYR 37 HH TYR 37 3.761 7.503 -10.494
233 H PHE 38 H PHE 38 1.727 5.495 -3.902
234 HA PHE 38 HA PHE 38 0.600 3.395 -2.441
235 2HB PHE 38 2HB PHE 38 -1.535 4.887 -3.113
236 HD1 PHE 38 HD1 PHE 38 1.778 6.358 -2.182
237 HD2 PHE 38 HD2 PHE 38 -2.212 5.510 -1.010
238 HE1 PHE 38 HE1 PHE 38 2.194 7.464 0.034
239 HE2 PHE 38 HE2 PHE 38 -1.796 6.615 1.205
240 HZ PHE 38 HZ PHE 38 0.402 7.579 1.700
241 H ASN 39 H ASN 39 -1.614 4.589 -4.846
242 HA ASN 39 HA ASN 39 -1.962 1.897 -5.762
243 2HB ASN 39 2HB ASN 39 -3.486 4.383 -6.676
244 1HD2 ASN 39 2HD2 ASN 39 -5.868 3.701 -6.775
245 2HD2 ASN 39 1HD2 ASN 39 -6.216 2.208 -7.580
246 H LYS 40 H LYS 40 -2.537 1.791 -8.321
247 HA LYS 40 HA LYS 40 -0.300 3.105 -9.673
248 2HB LYS 40 2HB LYS 40 -1.659 1.026 -11.187
249 2HG LYS 40 2HG LYS 40 1.064 0.555 -10.121
250 2HD LYS 40 2HD LYS 40 0.526 1.161 -13.002
251 2HE LYS 40 2HE LYS 40 1.709 -1.329 -11.702
252 1HZ LYS 40 1HZ LYS 40 1.505 -0.240 -14.336
253 2HZ LYS 40 2HZ LYS 40 3.008 -0.744 -13.947
254 3HZ LYS 40 3HZ LYS 40 1.751 -1.783 -13.863
255 HA PRO 41 HA PRO 41 -3.496 5.582 -11.401
256 2HB PRO 41 2HB PRO 41 -2.553 7.554 -10.679
257 2HG PRO 41 2HG PRO 41 -0.375 7.366 -9.939
258 2HD PRO 41 2HD PRO 41 -0.331 5.141 -9.362
259 H THR 42 H THR 42 -3.265 3.390 -12.748
260 HA THR 42 HA THR 42 -3.319 4.340 -15.446
261 HB THR 42 HB THR 42 -1.112 2.407 -14.560
262 HG1 THR 42 HG1 THR 42 -1.309 5.150 -15.580
263 1HG2 THR 42 1HG2 THR 42 -2.063 3.439 -17.265
264 2HG2 THR 42 2HG2 THR 42 -0.361 2.988 -17.007
265 3HG2 THR 42 3HG2 THR 42 -1.644 1.770 -16.807
266 H GLY 43 H GLY 43 -3.522 2.211 -16.947
267 1HA GLY 43 1HA GLY 43 -5.917 1.113 -16.618
268 2HA GLY 43 2HA GLY 43 -4.581 0.231 -17.330
269 H TYR 44 H TYR 44 -6.795 -0.916 -15.797
270 HA TYR 44 HA TYR 44 -5.729 -1.537 -13.193
271 2HB TYR 44 2HB TYR 44 -7.910 -3.204 -14.319
272 HD1 TYR 44 HD1 TYR 44 -6.875 -3.476 -11.714
273 HD2 TYR 44 HD2 TYR 44 -9.683 -0.565 -13.110
274 HE1 TYR 44 HE1 TYR 44 -7.779 -3.206 -9.353
275 HE2 TYR 44 HE2 TYR 44 -10.577 -0.304 -10.744
276 HH TYR 44 HH TYR 44 -10.679 -1.447 -8.724
277 H GLY 45 H GLY 45 -3.780 -2.265 -15.009
278 1HA GLY 45 1HA GLY 45 -3.728 -4.613 -16.287
279 2HA GLY 45 2HA GLY 45 -2.409 -4.055 -15.278
280 H SER 46 H SER 46 -4.157 -4.159 -12.780
281 HA SER 46 HA SER 46 -3.699 -6.957 -12.310
282 2HB SER 46 2HB SER 46 -4.657 -4.822 -10.356
283 HG SER 46 HG SER 46 -3.452 -6.310 -8.868
284 H SER 47 H SER 47 -5.567 -7.435 -13.901
285 HA SER 47 HA SER 47 -8.170 -6.772 -13.024
286 2HB SER 47 2HB SER 47 -8.083 -7.089 -15.332
287 HG SER 47 HG SER 47 -6.707 -9.610 -15.056
288 H SER 48 H SER 48 -7.774 -7.614 -10.731
289 HA SER 48 HA SER 48 -8.591 -10.395 -10.678
290 2HB SER 48 2HB SER 48 -6.049 -10.038 -10.202
291 HG SER 48 HG SER 48 -5.485 -9.180 -8.276
292 H ARG 49 H ARG 49 -9.491 -10.970 -8.401
293 HA ARG 49 HA ARG 49 -11.577 -9.517 -7.776
294 2HB ARG 49 2HB ARG 49 -11.349 -11.581 -6.625
295 2HG ARG 49 2HG ARG 49 -8.711 -10.487 -5.540
296 2HD ARG 49 2HD ARG 49 -10.497 -12.589 -4.539
297 HE ARG 49 HE ARG 49 -7.777 -13.671 -4.729
298 1HH1 ARG 49 1HH1 ARG 49 -10.983 -13.632 -6.177
299 2HH1 ARG 49 2HH1 ARG 49 -10.782 -15.158 -6.972
300 1HH2 ARG 49 1HH2 ARG 49 -7.511 -15.685 -5.776
301 2HH2 ARG 49 2HH2 ARG 49 -8.795 -16.333 -6.742
302 H ARG 50 H ARG 50 -11.457 -7.243 -7.740
303 HA ARG 50 HA ARG 50 -9.568 -5.637 -6.946
304 2HB ARG 50 2HB ARG 50 -11.610 -4.656 -7.715
305 2HG ARG 50 2HG ARG 50 -13.285 -5.209 -5.337
306 2HD ARG 50 2HD ARG 50 -13.532 -5.062 -8.327
307 HE ARG 50 HE ARG 50 -14.684 -7.268 -7.204
308 1HH1 ARG 50 1HH1 ARG 50 -16.064 -4.224 -8.301
309 2HH1 ARG 50 2HH1 ARG 50 -17.597 -4.918 -8.710
310 1HH2 ARG 50 1HH2 ARG 50 -16.706 -8.186 -7.744
311 2HH2 ARG 50 2HH2 ARG 50 -17.965 -7.187 -8.391
312 H ALA 51 H ALA 51 -8.213 -5.739 -5.175
313 HA ALA 51 HA ALA 51 -9.211 -6.794 -2.685
314 1HB ALA 51 1HB ALA 51 -6.549 -5.984 -3.840
315 2HB ALA 51 2HB ALA 51 -6.721 -6.149 -2.076
316 3HB ALA 51 3HB ALA 51 -7.052 -7.539 -3.137
317 H CYS 52 H CYS 52 -7.729 -3.690 -3.861
318 HA CYS 52 HA CYS 52 -8.411 -1.612 -3.330
319 2HB CYS 52 2HB CYS 52 -9.783 -2.429 -0.786
320 HG CYS 52 HG CYS 52 -9.154 0.120 -2.172
321 H GLN 53 H GLN 53 -6.911 -4.052 -1.366
322 HA GLN 53 HA GLN 53 -6.037 -2.998 0.846
323 2HB GLN 53 2HB GLN 53 -4.591 -4.569 -1.279
324 2HG GLN 53 2HG GLN 53 -3.309 -3.045 0.935
325 1HE2 GLN 53 2HE2 GLN 53 -1.473 -5.514 -0.457
326 2HE2 GLN 53 1HE2 GLN 53 -1.330 -6.582 0.900
327 H THR 54 H THR 54 -5.063 -1.891 -2.416
328 HA THR 54 HA THR 54 -2.962 -0.210 -1.584
329 HB THR 54 HB THR 54 -3.957 -1.146 -3.967
330 HG1 THR 54 HG1 THR 54 -2.256 0.225 -4.724
331 1HG2 THR 54 1HG2 THR 54 -5.768 0.801 -3.678
332 2HG2 THR 54 2HG2 THR 54 -4.405 1.845 -4.149
333 3HG2 THR 54 3HG2 THR 54 -4.964 0.561 -5.247
334 H GLY 55 H GLY 55 -5.541 -0.059 0.021
335 1HA GLY 55 1HA GLY 55 -6.311 2.727 -0.460
336 2HA GLY 55 2HA GLY 55 -7.111 1.569 0.583
337 H ILE 56 H ILE 56 -3.565 1.921 0.588
338 HA ILE 56 HA ILE 56 -3.304 2.135 3.283
339 HB ILE 56 HB ILE 56 -1.664 2.406 0.961
340 2HG1 ILE 56 2HG1 ILE 56 -0.741 1.985 3.807
341 1HG2 ILE 56 1HG2 ILE 56 -1.703 4.849 1.868
342 2HG2 ILE 56 2HG2 ILE 56 -0.645 4.199 3.143
343 3HG2 ILE 56 3HG2 ILE 56 -0.154 4.087 1.435
344 1HD1 ILE 56 1HD1 ILE 56 -2.521 0.307 2.075
345 2HD1 ILE 56 2HD1 ILE 56 -1.181 -0.529 2.897
346 3HD1 ILE 56 3HD1 ILE 56 -2.390 0.368 3.850
347 H VAL 57 H VAL 57 -4.892 4.339 1.259
348 HA VAL 57 HA VAL 57 -4.387 6.531 3.147
349 HB VAL 57 HB VAL 57 -5.799 7.305 0.763
350 1HG1 VAL 57 1HG1 VAL 57 -4.287 8.594 2.465
351 2HG1 VAL 57 2HG1 VAL 57 -2.959 8.066 1.402
352 3HG1 VAL 57 3HG1 VAL 57 -4.282 9.062 0.747
353 1HG2 VAL 57 1HG2 VAL 57 -3.364 5.580 0.386
354 2HG2 VAL 57 2HG2 VAL 57 -4.873 5.637 -0.557
355 3HG2 VAL 57 3HG2 VAL 57 -3.672 6.940 -0.721
356 H ASP 58 H ASP 58 -6.900 4.707 1.299
357 HA ASP 58 HA ASP 58 -8.926 5.987 2.892
358 2HB ASP 58 2HB ASP 58 -9.719 5.742 0.712
359 H GLU 59 H GLU 59 -7.112 2.949 2.537
360 HA GLU 59 HA GLU 59 -8.925 1.555 4.290
361 2HB GLU 59 2HB GLU 59 -7.701 0.583 2.185
362 2HG GLU 59 2HG GLU 59 -5.440 1.293 3.681
363 H CYS 60 H CYS 60 -5.996 3.444 4.396
364 HA CYS 60 HA CYS 60 -5.067 2.235 6.835
365 2HB CYS 60 2HB CYS 60 -4.076 4.781 5.552
366 H CYS 61 H CYS 61 -6.467 5.386 5.684
367 HA CYS 61 HA CYS 61 -6.599 6.545 8.217
368 2HB CYS 61 2HB CYS 61 -8.507 7.895 6.980
369 H PHE 62 H PHE 62 -8.846 4.509 6.264
370 HA PHE 62 HA PHE 62 -10.946 4.719 8.191
371 2HB PHE 62 2HB PHE 62 -10.410 2.752 5.884
372 HD1 PHE 62 HD1 PHE 62 -12.908 4.315 8.126
373 HD2 PHE 62 HD2 PHE 62 -12.190 1.398 5.128
374 HE1 PHE 62 HE1 PHE 62 -15.183 3.336 8.533
375 HE2 PHE 62 HE2 PHE 62 -14.464 0.420 5.535
376 HZ PHE 62 HZ PHE 62 -15.934 1.401 7.232
377 H ARG 63 H ARG 63 -8.520 2.216 7.205
378 HA ARG 63 HA ARG 63 -9.368 0.695 9.526
379 2HB ARG 63 2HB ARG 63 -7.362 -0.526 7.699
380 2HG ARG 63 2HG ARG 63 -9.878 -1.275 9.156
381 2HD ARG 63 2HD ARG 63 -8.846 -3.100 6.966
382 HE ARG 63 HE ARG 63 -11.023 -3.158 8.873
383 1HH1 ARG 63 1HH1 ARG 63 -10.165 -4.110 5.596
384 2HH1 ARG 63 2HH1 ARG 63 -11.304 -5.414 5.540
385 1HH2 ARG 63 1HH2 ARG 63 -12.526 -4.878 8.800
386 2HH2 ARG 63 2HH2 ARG 63 -12.656 -5.853 7.374
387 H SER 64 H SER 64 -8.210 1.749 11.211
388 HA SER 64 HA SER 64 -5.959 2.961 11.345
389 2HB SER 64 2HB SER 64 -5.570 2.075 13.586
390 HG SER 64 HG SER 64 -7.784 2.057 14.411
391 H CYS 65 H CYS 65 -4.292 2.586 9.855
392 HA CYS 65 HA CYS 65 -2.999 -0.034 10.090
393 2HB CYS 65 2HB CYS 65 -4.161 0.844 7.839
394 H ASP 66 H ASP 66 -1.426 0.498 11.644
395 HA ASP 66 HA ASP 66 -0.232 2.945 11.886
396 2HB ASP 66 2HB ASP 66 1.464 1.784 13.232
397 H LEU 67 H LEU 67 2.561 1.224 11.805
398 HA LEU 67 HA LEU 67 3.238 2.202 9.151
399 2HB LEU 67 2HB LEU 67 4.522 2.189 11.635
400 HG LEU 67 HG LEU 67 5.459 -0.090 10.212
401 1HD1 LEU 67 1HD1 LEU 67 7.015 2.330 9.647
402 2HD1 LEU 67 2HD1 LEU 67 7.974 1.007 10.354
403 3HD1 LEU 67 3HD1 LEU 67 7.041 0.731 8.864
404 1HD2 LEU 67 1HD2 LEU 67 5.931 1.313 12.752
405 2HD2 LEU 67 2HD2 LEU 67 5.741 -0.423 12.409
406 3HD2 LEU 67 3HD2 LEU 67 7.318 0.366 12.163
407 H ARG 68 H ARG 68 2.382 -0.718 10.830
408 HA ARG 68 HA ARG 68 3.874 -2.561 9.490
409 2HB ARG 68 2HB ARG 68 1.096 -3.456 9.868
410 2HG ARG 68 2HG ARG 68 2.197 -4.935 11.558
411 2HD ARG 68 2HD ARG 68 3.106 -4.657 8.740
412 HE ARG 68 HE ARG 68 5.297 -5.272 9.293
413 1HH1 ARG 68 1HH1 ARG 68 3.049 -7.028 11.355
414 2HH1 ARG 68 2HH1 ARG 68 4.273 -8.040 12.045
415 1HH2 ARG 68 1HH2 ARG 68 6.913 -6.607 10.204
416 2HH2 ARG 68 2HH2 ARG 68 6.486 -7.799 11.386
417 H ARG 69 H ARG 69 0.973 -0.730 8.489
418 HA ARG 69 HA ARG 69 0.363 -2.345 6.297
419 2HB ARG 69 2HB ARG 69 -0.317 0.541 6.052
420 2HG ARG 69 2HG ARG 69 -1.524 -1.248 4.820
421 2HD ARG 69 2HD ARG 69 -3.104 -2.273 7.037
422 HE ARG 69 HE ARG 69 -1.709 -3.323 4.692
423 1HH1 ARG 69 1HH1 ARG 69 -3.365 -4.201 7.670
424 2HH1 ARG 69 2HH1 ARG 69 -3.781 -5.790 7.120
425 1HH2 ARG 69 1HH2 ARG 69 -2.257 -5.419 3.967
426 2HH2 ARG 69 2HH2 ARG 69 -3.146 -6.488 5.000
427 H LEU 70 H LEU 70 2.185 0.774 6.675
428 HA LEU 70 HA LEU 70 2.730 1.323 4.070
429 2HB LEU 70 2HB LEU 70 3.345 2.476 6.351
430 HG LEU 70 HG LEU 70 5.224 0.711 6.749
431 1HD1 LEU 70 1HD1 LEU 70 6.044 1.344 4.278
432 2HD1 LEU 70 2HD1 LEU 70 7.005 2.521 5.207
433 3HD1 LEU 70 3HD1 LEU 70 7.149 0.782 5.557
434 1HD2 LEU 70 1HD2 LEU 70 4.996 3.544 7.325
435 2HD2 LEU 70 2HD2 LEU 70 5.543 2.205 8.364
436 3HD2 LEU 70 3HD2 LEU 70 6.698 3.023 7.285
437 H GLU 71 H GLU 71 4.175 -1.178 6.176
438 HA GLU 71 HA GLU 71 6.170 -1.795 4.244
439 2HB GLU 71 2HB GLU 71 5.960 -2.187 6.946
440 2HG GLU 71 2HG GLU 71 4.309 -4.143 6.258
441 H MET 72 H MET 72 2.857 -2.758 4.975
442 HA MET 72 HA MET 72 2.857 -5.278 3.873
443 2HB MET 72 2HB MET 72 0.354 -4.054 3.250
444 2HG MET 72 2HG MET 72 -0.373 -5.102 5.433
445 1HE MET 72 1HE MET 72 -0.278 -7.560 6.133
446 2HE MET 72 2HE MET 72 -0.171 -8.880 4.944
447 3HE MET 72 3HE MET 72 1.301 -8.281 5.742
448 H TYR 73 H TYR 73 2.082 -2.080 2.326
449 HA TYR 73 HA TYR 73 2.110 -3.398 -0.277
450 2HB TYR 73 2HB TYR 73 1.742 -0.436 0.035
451 HD1 TYR 73 HD1 TYR 73 -0.548 -3.393 -0.344
452 HD2 TYR 73 HD2 TYR 73 1.083 0.145 -2.112
453 HE1 TYR 73 HE1 TYR 73 -2.029 -3.720 -2.384
454 HE2 TYR 73 HE2 TYR 73 -0.403 -0.196 -4.147
455 HH TYR 73 HH TYR 73 -1.664 -1.688 -5.222
456 H CYS 74 H CYS 74 4.144 -1.539 1.855
457 HA CYS 74 HA CYS 74 5.662 0.128 0.817
458 2HB CYS 74 2HB CYS 74 7.364 -2.254 1.170
459 H ALA 75 H ALA 75 4.371 -0.469 -1.488
460 HA ALA 75 HA ALA 75 5.444 -2.207 -3.289
461 1HB ALA 75 1HB ALA 75 3.721 0.084 -3.274
462 2HB ALA 75 2HB ALA 75 4.854 0.254 -4.635
463 3HB ALA 75 3HB ALA 75 3.841 -1.204 -4.497
464 HA PRO 76 HA PRO 76 9.356 -0.708 -4.363
465 2HB PRO 76 2HB PRO 76 9.760 -2.470 -5.789
466 2HG PRO 76 2HG PRO 76 7.868 -3.461 -6.657
467 2HD PRO 76 2HD PRO 76 6.332 -2.889 -5.045
468 H LEU 77 H LEU 77 8.491 1.485 -3.749
469 HA LEU 77 HA LEU 77 7.526 3.316 -5.400
470 2HB LEU 77 2HB LEU 77 8.673 3.364 -2.972
471 HG LEU 77 HG LEU 77 10.931 3.870 -4.401
472 1HD1 LEU 77 1HD1 LEU 77 9.546 6.042 -5.120
473 2HD1 LEU 77 2HD1 LEU 77 10.245 6.652 -3.600
474 3HD1 LEU 77 3HD1 LEU 77 11.312 6.052 -4.893
475 1HD2 LEU 77 1HD2 LEU 77 10.498 3.540 -1.887
476 2HD2 LEU 77 2HD2 LEU 77 11.903 4.515 -2.379
477 3HD2 LEU 77 3HD2 LEU 77 10.420 5.316 -1.807
478 H LYS 78 H LYS 78 8.327 4.885 -6.933
479 HA LYS 78 HA LYS 78 10.610 3.815 -8.424
480 2HB LYS 78 2HB LYS 78 8.218 5.472 -9.256
481 2HG LYS 78 2HG LYS 78 10.368 4.499 -11.151
482 2HD LYS 78 2HD LYS 78 7.885 5.785 -11.447
483 2HE LYS 78 2HE LYS 78 8.928 7.922 -10.669
484 1HZ LYS 78 1HZ LYS 78 10.957 7.060 -12.466
485 2HZ LYS 78 2HZ LYS 78 10.512 8.610 -12.720
486 3HZ LYS 78 3HZ LYS 78 11.039 8.143 -11.247
487 HA PRO 79 HA PRO 79 12.875 7.323 -7.307
488 2HB PRO 79 2HB PRO 79 14.869 6.230 -7.673
489 2HG PRO 79 2HG PRO 79 14.718 4.389 -9.056
490 2HD PRO 79 2HD PRO 79 12.501 3.849 -8.774
491 H ALA 80 H ALA 80 11.177 8.833 -7.716
492 HA ALA 80 HA ALA 80 11.045 9.888 -10.376
493 1HB ALA 80 1HB ALA 80 9.823 10.777 -7.731
494 2HB ALA 80 2HB ALA 80 9.406 11.442 -9.328
495 3HB ALA 80 3HB ALA 80 9.054 9.738 -8.956
496 H LYS 81 H LYS 81 10.815 12.663 -9.902
497 HA LYS 81 HA LYS 81 12.872 13.778 -8.425
498 2HB LYS 81 2HB LYS 81 13.813 13.811 -11.250
499 2HG LYS 81 2HG LYS 81 14.972 15.112 -9.494
500 2HD LYS 81 2HD LYS 81 16.210 13.016 -7.985
501 2HE LYS 81 2HE LYS 81 14.667 14.177 -6.142
502 1HZ LYS 81 1HZ LYS 81 16.828 15.415 -7.678
503 2HZ LYS 81 2HZ LYS 81 16.184 16.149 -6.369
504 3HZ LYS 81 3HZ LYS 81 16.912 14.695 -6.215
505 H SER 82 H SER 82 10.104 14.194 -9.063
506 HA SER 82 HA SER 82 9.224 15.725 -10.895
507 2HB SER 82 2HB SER 82 9.085 16.817 -8.060
508 HG SER 82 HG SER 82 7.121 16.563 -10.178
509 H ALA 83 H ALA 83 9.735 17.564 -12.052
510 HA ALA 83 HA ALA 83 12.095 19.016 -11.232
511 1HB ALA 83 1HB ALA 83 11.706 18.230 -13.578
512 2HB ALA 83 2HB ALA 83 10.311 19.332 -13.680
513 3HB ALA 83 3HB ALA 83 11.950 19.989 -13.461
Start of MODEL 15
1 H MET 1 H MET 1 -10.539 10.355 -8.248
2 HA MET 1 HA MET 1 -8.053 11.136 -7.960
3 2HB MET 1 2HB MET 1 -9.075 8.754 -7.876
4 2HG MET 1 2HG MET 1 -9.364 9.125 -10.623
5 1HE MET 1 1HE MET 1 -7.219 6.670 -8.795
6 2HE MET 1 2HE MET 1 -7.377 5.588 -10.200
7 3HE MET 1 3HE MET 1 -5.812 6.354 -9.837
8 H PHE 2 H PHE 2 -9.640 12.147 -10.591
9 HA PHE 2 HA PHE 2 -8.758 11.797 -12.912
10 2HB PHE 2 2HB PHE 2 -8.255 14.297 -13.108
11 HD1 PHE 2 HD1 PHE 2 -10.114 14.213 -9.953
12 HD2 PHE 2 HD2 PHE 2 -10.417 14.116 -14.184
13 HE1 PHE 2 HE1 PHE 2 -12.577 14.662 -9.786
14 HE2 PHE 2 HE2 PHE 2 -12.881 14.566 -14.017
15 HZ PHE 2 HZ PHE 2 -13.931 14.833 -11.820
16 HA PRO 3 HA PRO 3 -4.444 11.095 -12.781
17 2HB PRO 3 2HB PRO 3 -4.618 9.226 -14.115
18 2HG PRO 3 2HG PRO 3 -6.615 9.040 -15.255
19 2HD PRO 3 2HD PRO 3 -7.978 10.304 -13.902
20 H ALA 4 H ALA 4 -5.177 12.333 -15.999
21 HA ALA 4 HA ALA 4 -3.166 13.743 -16.672
22 1HB ALA 4 1HB ALA 4 -6.037 14.220 -16.798
23 2HB ALA 4 2HB ALA 4 -5.132 15.752 -16.800
24 3HB ALA 4 3HB ALA 4 -4.786 14.512 -18.030
25 H MET 5 H MET 5 -5.423 15.186 -14.206
26 HA MET 5 HA MET 5 -3.202 16.863 -13.385
27 2HB MET 5 2HB MET 5 -5.308 17.811 -11.951
28 2HG MET 5 2HG MET 5 -5.956 19.178 -14.050
29 1HE MET 5 1HE MET 5 -5.663 20.903 -12.717
30 2HE MET 5 2HE MET 5 -4.777 20.306 -11.294
31 3HE MET 5 3HE MET 5 -4.161 21.707 -12.203
32 HA PRO 6 HA PRO 6 -2.826 14.871 -9.547
33 2HB PRO 6 2HB PRO 6 -1.084 16.221 -8.881
34 2HG PRO 6 2HG PRO 6 -1.047 18.304 -9.873
35 2HD PRO 6 2HD PRO 6 -2.221 17.860 -11.798
36 H LEU 7 H LEU 7 -4.247 13.749 -8.387
37 HA LEU 7 HA LEU 7 -6.744 15.059 -7.844
38 2HB LEU 7 2HB LEU 7 -6.860 12.834 -8.607
39 HG LEU 7 HG LEU 7 -6.055 10.970 -6.953
40 1HD1 LEU 7 1HD1 LEU 7 -5.204 11.882 -9.413
41 2HD1 LEU 7 2HD1 LEU 7 -3.701 11.825 -8.463
42 3HD1 LEU 7 3HD1 LEU 7 -4.707 10.366 -8.625
43 1HD2 LEU 7 1HD2 LEU 7 -5.166 12.523 -5.260
44 2HD2 LEU 7 2HD2 LEU 7 -3.924 11.408 -5.879
45 3HD2 LEU 7 3HD2 LEU 7 -3.960 13.099 -6.437
46 H SER 8 H SER 8 -7.716 14.663 -5.526
47 HA SER 8 HA SER 8 -5.816 14.691 -3.432
48 2HB SER 8 2HB SER 8 -5.388 16.921 -3.465
49 HG SER 8 HG SER 8 -6.282 17.203 -5.597
50 H SER 9 H SER 9 -7.728 12.867 -3.682
51 HA SER 9 HA SER 9 -9.771 13.781 -1.821
52 2HB SER 9 2HB SER 9 -10.928 11.688 -3.340
53 HG SER 9 HG SER 9 -12.257 13.349 -2.702
54 H LEU 10 H LEU 10 -8.859 12.810 0.019
55 HA LEU 10 HA LEU 10 -8.747 11.074 1.444
56 2HB LEU 10 2HB LEU 10 -8.615 8.936 -0.597
57 HG LEU 10 HG LEU 10 -9.633 7.645 0.925
58 1HD1 LEU 10 1HD1 LEU 10 -7.838 8.984 2.172
59 2HD1 LEU 10 2HD1 LEU 10 -9.194 9.838 2.947
60 3HD1 LEU 10 3HD1 LEU 10 -9.023 8.077 3.142
61 1HD2 LEU 10 1HD2 LEU 10 -11.777 8.904 0.535
62 2HD2 LEU 10 2HD2 LEU 10 -11.606 8.168 2.146
63 3HD2 LEU 10 3HD2 LEU 10 -11.355 9.918 1.936
64 H PHE 11 H PHE 11 -6.646 12.623 0.045
65 HA PHE 11 HA PHE 11 -4.445 11.050 0.936
66 2HB PHE 11 2HB PHE 11 -4.815 11.813 -2.023
67 HD1 PHE 11 HD1 PHE 11 -2.439 11.243 0.581
68 HD2 PHE 11 HD2 PHE 11 -3.094 10.752 -3.584
69 HE1 PHE 11 HE1 PHE 11 0.034 11.014 0.219
70 HE2 PHE 11 HE2 PHE 11 -0.620 10.523 -3.945
71 HZ PHE 11 HZ PHE 11 0.914 10.657 -2.039
72 H VAL 12 H VAL 12 -5.915 13.746 1.215
73 HA VAL 12 HA VAL 12 -4.254 15.741 0.155
74 HB VAL 12 HB VAL 12 -6.555 16.080 0.903
75 1HG1 VAL 12 1HG1 VAL 12 -6.356 14.557 2.917
76 2HG1 VAL 12 2HG1 VAL 12 -5.535 15.898 3.752
77 3HG1 VAL 12 3HG1 VAL 12 -7.216 16.091 3.195
78 1HG2 VAL 12 1HG2 VAL 12 -4.991 17.992 0.760
79 2HG2 VAL 12 2HG2 VAL 12 -6.237 18.229 2.008
80 3HG2 VAL 12 3HG2 VAL 12 -4.582 17.770 2.477
81 H ASN 13 H ASN 13 -2.098 14.788 0.546
82 HA ASN 13 HA ASN 13 -0.950 13.978 2.721
83 2HB ASN 13 2HB ASN 13 0.404 16.326 1.349
84 1HD2 ASN 13 2HD2 ASN 13 2.600 16.067 1.215
85 2HD2 ASN 13 1HD2 ASN 13 3.484 14.855 2.080
86 H GLY 14 H GLY 14 -1.090 17.548 1.947
87 1HA GLY 14 1HA GLY 14 -0.587 19.275 3.414
88 2HA GLY 14 2HA GLY 14 -2.186 18.777 3.929
89 HA PRO 15 HA PRO 15 0.131 18.373 7.702
90 2HB PRO 15 2HB PRO 15 -0.872 20.168 8.737
91 2HG PRO 15 2HG PRO 15 -2.736 20.986 7.653
92 2HD PRO 15 2HD PRO 15 -2.309 20.273 5.511
93 H ARG 16 H ARG 16 -0.579 17.225 9.959
94 HA ARG 16 HA ARG 16 -1.219 14.600 8.970
95 2HB ARG 16 2HB ARG 16 0.657 14.482 10.394
96 2HG ARG 16 2HG ARG 16 0.283 15.668 12.812
97 2HD ARG 16 2HD ARG 16 1.515 16.539 10.234
98 HE ARG 16 HE ARG 16 0.446 18.534 12.046
99 1HH1 ARG 16 1HH1 ARG 16 3.258 17.770 10.072
100 2HH1 ARG 16 2HH1 ARG 16 3.726 19.426 9.871
101 1HH2 ARG 16 1HH2 ARG 16 1.063 20.718 11.782
102 2HH2 ARG 16 2HH2 ARG 16 2.469 21.114 10.851
103 H THR 17 H THR 17 -3.064 17.135 9.748
104 HA THR 17 HA THR 17 -4.869 15.687 11.556
105 HB THR 17 HB THR 17 -4.987 18.615 10.697
106 HG1 THR 17 HG1 THR 17 -3.654 17.293 12.955
107 1HG2 THR 17 1HG2 THR 17 -6.635 17.033 12.364
108 2HG2 THR 17 2HG2 THR 17 -5.548 17.877 13.492
109 3HG2 THR 17 3HG2 THR 17 -6.552 18.812 12.359
110 H LEU 18 H LEU 18 -4.390 15.178 8.574
111 HA LEU 18 HA LEU 18 -7.061 15.872 7.609
112 2HB LEU 18 2HB LEU 18 -6.041 14.981 5.424
113 HG LEU 18 HG LEU 18 -4.540 17.074 5.138
114 1HD1 LEU 18 1HD1 LEU 18 -7.371 16.663 5.093
115 2HD1 LEU 18 2HD1 LEU 18 -7.038 18.324 5.637
116 3HD1 LEU 18 3HD1 LEU 18 -6.374 17.744 4.091
117 1HD2 LEU 18 1HD2 LEU 18 -5.786 17.649 7.837
118 2HD2 LEU 18 2HD2 LEU 18 -4.055 17.568 7.432
119 3HD2 LEU 18 3HD2 LEU 18 -5.060 18.883 6.780
120 H CYS 19 H CYS 19 -6.867 13.586 5.636
121 HA CYS 19 HA CYS 19 -8.134 11.678 7.344
122 2HB CYS 19 2HB CYS 19 -7.582 10.913 4.554
123 H GLY 20 H GLY 20 -5.067 12.417 7.328
124 1HA GLY 20 1HA GLY 20 -3.463 10.966 8.273
125 2HA GLY 20 2HA GLY 20 -4.151 9.618 7.388
126 H ALA 21 H ALA 21 -1.720 12.055 7.412
127 HA ALA 21 HA ALA 21 -1.262 11.770 4.534
128 1HB ALA 21 1HB ALA 21 -1.376 14.033 5.865
129 2HB ALA 21 2HB ALA 21 0.273 13.603 6.376
130 3HB ALA 21 3HB ALA 21 -0.102 13.794 4.646
131 H GLU 22 H GLU 22 -0.508 10.257 7.434
132 HA GLU 22 HA GLU 22 2.263 9.959 7.121
133 2HB GLU 22 2HB GLU 22 0.422 8.011 8.557
134 2HG GLU 22 2HG GLU 22 2.992 9.030 9.700
135 H LEU 23 H LEU 23 -0.554 7.776 6.402
136 HA LEU 23 HA LEU 23 0.464 5.558 5.522
137 2HB LEU 23 2HB LEU 23 -1.656 5.470 4.912
138 HG LEU 23 HG LEU 23 -2.852 7.525 3.818
139 1HD1 LEU 23 1HD1 LEU 23 -2.832 6.445 6.316
140 2HD1 LEU 23 2HD1 LEU 23 -2.377 8.130 6.665
141 3HD1 LEU 23 3HD1 LEU 23 -3.889 7.778 5.793
142 1HD2 LEU 23 1HD2 LEU 23 -0.305 8.626 4.132
143 2HD2 LEU 23 2HD2 LEU 23 -1.811 9.487 3.733
144 3HD2 LEU 23 3HD2 LEU 23 -1.283 9.358 5.428
145 H VAL 24 H VAL 24 0.767 8.654 3.684
146 HA VAL 24 HA VAL 24 2.384 7.382 1.681
147 HB VAL 24 HB VAL 24 1.046 9.086 0.868
148 1HG1 VAL 24 1HG1 VAL 24 1.879 10.712 3.287
149 2HG1 VAL 24 2HG1 VAL 24 1.002 11.400 1.899
150 3HG1 VAL 24 3HG1 VAL 24 0.256 10.109 2.872
151 1HG2 VAL 24 1HG2 VAL 24 3.772 10.326 1.365
152 2HG2 VAL 24 2HG2 VAL 24 3.296 9.305 -0.012
153 3HG2 VAL 24 3HG2 VAL 24 2.579 10.923 0.187
154 H ASP 25 H ASP 25 2.849 9.601 4.493
155 HA ASP 25 HA ASP 25 5.551 9.999 4.066
156 2HB ASP 25 2HB ASP 25 5.593 10.665 6.475
157 H ALA 26 H ALA 26 3.639 7.431 5.675
158 HA ALA 26 HA ALA 26 5.685 6.223 7.132
159 1HB ALA 26 1HB ALA 26 3.173 5.858 7.285
160 2HB ALA 26 2HB ALA 26 3.310 4.849 5.826
161 3HB ALA 26 3HB ALA 26 4.160 4.378 7.317
162 H LEU 27 H LEU 27 4.380 5.469 3.823
163 HA LEU 27 HA LEU 27 6.385 3.532 3.333
164 2HB LEU 27 2HB LEU 27 5.491 3.491 1.092
165 HG LEU 27 HG LEU 27 3.739 3.273 3.399
166 1HD1 LEU 27 1HD1 LEU 27 2.654 5.041 1.668
167 2HD1 LEU 27 2HD1 LEU 27 2.069 3.513 0.967
168 3HD1 LEU 27 3HD1 LEU 27 1.707 3.909 2.664
169 1HD2 LEU 27 1HD2 LEU 27 4.744 1.396 2.146
170 2HD2 LEU 27 2HD2 LEU 27 2.970 1.285 2.251
171 3HD2 LEU 27 3HD2 LEU 27 3.740 1.821 0.738
172 H GLN 28 H GLN 28 6.399 6.964 3.457
173 HA GLN 28 HA GLN 28 8.497 7.173 1.493
174 2HB GLN 28 2HB GLN 28 7.923 9.573 3.107
175 2HG GLN 28 2HG GLN 28 8.495 8.793 0.356
176 1HE2 GLN 28 2HE2 GLN 28 7.827 11.635 -0.423
177 2HE2 GLN 28 1HE2 GLN 28 6.193 11.590 -0.995
178 H PHE 29 H PHE 29 8.174 6.382 4.784
179 HA PHE 29 HA PHE 29 10.804 7.497 5.429
180 2HB PHE 29 2HB PHE 29 8.267 7.231 6.764
181 HD1 PHE 29 HD1 PHE 29 11.411 6.176 8.449
182 HD2 PHE 29 HD2 PHE 29 7.356 5.257 7.606
183 HE1 PHE 29 HE1 PHE 29 11.518 4.241 10.045
184 HE2 PHE 29 HE2 PHE 29 7.462 3.322 9.201
185 HZ PHE 29 HZ PHE 29 9.541 2.837 10.402
186 H VAL 30 H VAL 30 8.846 4.474 5.320
187 HA VAL 30 HA VAL 30 11.230 2.951 6.030
188 HB VAL 30 HB VAL 30 8.347 2.643 6.294
189 1HG1 VAL 30 1HG1 VAL 30 9.935 0.260 5.282
190 2HG1 VAL 30 2HG1 VAL 30 8.294 0.193 5.966
191 3HG1 VAL 30 3HG1 VAL 30 8.589 1.070 4.445
192 1HG2 VAL 30 1HG2 VAL 30 10.504 2.505 7.936
193 2HG2 VAL 30 2HG2 VAL 30 8.919 1.789 8.312
194 3HG2 VAL 30 3HG2 VAL 30 10.216 0.774 7.637
195 H CYS 31 H CYS 31 8.856 3.505 3.385
196 HA CYS 31 HA CYS 31 10.053 1.542 1.713
197 2HB CYS 31 2HB CYS 31 8.520 3.526 0.277
198 H GLY 32 H GLY 32 10.494 4.968 2.492
199 1HA GLY 32 1HA GLY 32 12.750 5.789 2.002
200 2HA GLY 32 2HA GLY 32 12.563 5.146 0.382
201 H ASP 33 H ASP 33 12.603 7.986 2.010
202 HA ASP 33 HA ASP 33 10.583 9.512 1.770
203 2HB ASP 33 2HB ASP 33 11.985 11.341 1.193
204 H ARG 34 H ARG 34 12.161 7.903 -1.006
205 HA ARG 34 HA ARG 34 11.348 9.207 -3.135
206 2HB ARG 34 2HB ARG 34 11.004 6.917 -4.244
207 2HG ARG 34 2HG ARG 34 13.361 6.055 -3.319
208 2HD ARG 34 2HD ARG 34 12.534 8.001 -5.275
209 HE ARG 34 HE ARG 34 13.824 9.815 -4.555
210 1HH1 ARG 34 1HH1 ARG 34 15.600 6.835 -3.958
211 2HH1 ARG 34 2HH1 ARG 34 17.052 7.648 -3.475
212 1HH2 ARG 34 1HH2 ARG 34 15.738 10.886 -3.916
213 2HH2 ARG 34 2HH2 ARG 34 17.131 9.968 -3.450
214 H GLY 35 H GLY 35 9.263 7.627 -0.770
215 1HA GLY 35 1HA GLY 35 7.029 7.768 -0.476
216 2HA GLY 35 2HA GLY 35 6.921 8.839 -1.858
217 H PHE 36 H PHE 36 5.586 6.119 -0.799
218 HA PHE 36 HA PHE 36 5.818 4.696 -3.351
219 2HB PHE 36 2HB PHE 36 4.964 3.967 -0.494
220 HD1 PHE 36 HD1 PHE 36 6.153 1.693 -3.125
221 HD2 PHE 36 HD2 PHE 36 2.808 2.968 -0.846
222 HE1 PHE 36 HE1 PHE 36 4.860 -0.312 -3.901
223 HE2 PHE 36 HE2 PHE 36 1.515 0.962 -1.622
224 HZ PHE 36 HZ PHE 36 2.556 -0.655 -3.141
225 H TYR 37 H TYR 37 4.160 4.944 -4.765
226 HA TYR 37 HA TYR 37 2.101 6.419 -4.853
227 2HB TYR 37 2HB TYR 37 2.003 3.352 -5.150
228 HD1 TYR 37 HD1 TYR 37 -0.034 6.250 -5.124
229 HD2 TYR 37 HD2 TYR 37 0.642 2.620 -7.286
230 HE1 TYR 37 HE1 TYR 37 -2.382 6.380 -6.091
231 HE2 TYR 37 HE2 TYR 37 -1.708 2.762 -8.245
232 HH TYR 37 HH TYR 37 -3.459 5.435 -8.332
233 H PHE 38 H PHE 38 0.862 3.239 -3.827
234 HA PHE 38 HA PHE 38 0.225 3.490 -1.278
235 2HB PHE 38 2HB PHE 38 -2.292 4.569 -2.011
236 HD1 PHE 38 HD1 PHE 38 -0.034 4.218 0.237
237 HD2 PHE 38 HD2 PHE 38 -1.853 7.520 -1.709
238 HE1 PHE 38 HE1 PHE 38 0.442 5.658 2.237
239 HE2 PHE 38 HE2 PHE 38 -1.378 8.961 0.291
240 HZ PHE 38 HZ PHE 38 -0.235 8.013 2.240
241 H ASN 39 H ASN 39 -2.607 3.664 -3.439
242 HA ASN 39 HA ASN 39 -2.963 0.833 -2.966
243 2HB ASN 39 2HB ASN 39 -4.798 3.104 -3.835
244 1HD2 ASN 39 2HD2 ASN 39 -5.496 -0.125 -2.626
245 2HD2 ASN 39 1HD2 ASN 39 -6.476 -0.668 -3.945
246 H LYS 40 H LYS 40 -3.152 -0.662 -4.739
247 HA LYS 40 HA LYS 40 -2.312 0.444 -7.315
248 2HB LYS 40 2HB LYS 40 -2.114 -2.293 -7.521
249 2HG LYS 40 2HG LYS 40 -0.176 -0.110 -6.683
250 2HD LYS 40 2HD LYS 40 1.677 -1.683 -6.930
251 2HE LYS 40 2HE LYS 40 -0.217 -3.231 -5.153
252 1HZ LYS 40 1HZ LYS 40 2.349 -3.383 -5.439
253 2HZ LYS 40 2HZ LYS 40 2.352 -2.135 -4.385
254 3HZ LYS 40 3HZ LYS 40 1.662 -3.555 -3.967
255 HA PRO 41 HA PRO 41 -6.506 -0.282 -8.409
256 2HB PRO 41 2HB PRO 41 -6.857 1.899 -9.061
257 2HG PRO 41 2HG PRO 41 -4.936 3.151 -9.308
258 2HD PRO 41 2HD PRO 41 -3.513 1.993 -7.922
259 H THR 42 H THR 42 -5.044 -2.440 -8.676
260 HA THR 42 HA THR 42 -4.183 -3.325 -11.042
261 HB THR 42 HB THR 42 -6.007 -4.720 -9.016
262 HG1 THR 42 HG1 THR 42 -3.845 -5.335 -8.262
263 1HG2 THR 42 1HG2 THR 42 -5.783 -5.988 -11.230
264 2HG2 THR 42 2HG2 THR 42 -4.020 -5.958 -10.988
265 3HG2 THR 42 3HG2 THR 42 -5.063 -6.823 -9.833
266 H GLY 43 H GLY 43 -7.605 -2.692 -10.220
267 1HA GLY 43 1HA GLY 43 -9.050 -3.908 -12.085
268 2HA GLY 43 2HA GLY 43 -9.289 -2.220 -11.680
269 H TYR 44 H TYR 44 -9.746 -3.497 -14.289
270 HA TYR 44 HA TYR 44 -8.021 -1.745 -15.855
271 2HB TYR 44 2HB TYR 44 -8.674 -4.576 -16.776
272 HD1 TYR 44 HD1 TYR 44 -5.538 -2.598 -16.200
273 HD2 TYR 44 HD2 TYR 44 -8.124 -4.488 -19.036
274 HE1 TYR 44 HE1 TYR 44 -3.885 -2.084 -18.061
275 HE2 TYR 44 HE2 TYR 44 -6.461 -3.969 -20.888
276 HH TYR 44 HH TYR 44 -4.689 -2.748 -21.421
277 H GLY 45 H GLY 45 -8.889 -2.457 -18.400
278 1HA GLY 45 1HA GLY 45 -11.114 -1.058 -18.872
279 2HA GLY 45 2HA GLY 45 -10.668 -2.466 -19.815
280 H SER 46 H SER 46 -11.554 -4.599 -19.229
281 HA SER 46 HA SER 46 -14.191 -4.265 -18.127
282 2HB SER 46 2HB SER 46 -12.934 -6.764 -19.336
283 HG SER 46 HG SER 46 -15.701 -5.925 -19.219
284 H SER 47 H SER 47 -13.089 -3.849 -15.918
285 HA SER 47 HA SER 47 -13.292 -6.239 -14.435
286 2HB SER 47 2HB SER 47 -10.863 -5.655 -13.400
287 HG SER 47 HG SER 47 -11.522 -7.736 -14.297
288 H SER 48 H SER 48 -14.500 -5.504 -12.729
289 HA SER 48 HA SER 48 -13.539 -3.193 -11.321
290 2HB SER 48 2HB SER 48 -16.213 -3.297 -12.742
291 HG SER 48 HG SER 48 -16.675 -2.763 -10.519
292 H ARG 49 H ARG 49 -13.081 -4.920 -9.746
293 HA ARG 49 HA ARG 49 -15.274 -5.287 -8.015
294 2HB ARG 49 2HB ARG 49 -14.424 -7.975 -8.219
295 2HG ARG 49 2HG ARG 49 -16.883 -6.527 -9.296
296 2HD ARG 49 2HD ARG 49 -17.963 -8.777 -9.334
297 HE ARG 49 HE ARG 49 -17.157 -8.352 -11.529
298 1HH1 ARG 49 1HH1 ARG 49 -14.618 -9.676 -9.484
299 2HH1 ARG 49 2HH1 ARG 49 -13.554 -10.016 -10.806
300 1HH2 ARG 49 1HH2 ARG 49 -15.752 -8.801 -13.275
301 2HH2 ARG 49 2HH2 ARG 49 -14.203 -9.515 -12.977
302 H ARG 50 H ARG 50 -13.799 -4.174 -6.579
303 HA ARG 50 HA ARG 50 -12.095 -5.920 -5.200
304 2HB ARG 50 2HB ARG 50 -10.405 -5.503 -6.836
305 2HG ARG 50 2HG ARG 50 -10.449 -2.543 -6.781
306 2HD ARG 50 2HD ARG 50 -9.040 -3.736 -8.378
307 HE ARG 50 HE ARG 50 -11.456 -5.356 -8.864
308 1HH1 ARG 50 1HH1 ARG 50 -8.244 -4.467 -9.993
309 2HH1 ARG 50 2HH1 ARG 50 -8.053 -5.888 -10.965
310 1HH2 ARG 50 1HH2 ARG 50 -11.204 -7.232 -10.144
311 2HH2 ARG 50 2HH2 ARG 50 -9.748 -7.472 -11.051
312 H ALA 51 H ALA 51 -11.029 -4.719 -3.283
313 HA ALA 51 HA ALA 51 -12.771 -2.482 -2.539
314 1HB ALA 51 1HB ALA 51 -11.725 -4.862 -1.189
315 2HB ALA 51 2HB ALA 51 -11.408 -3.370 -0.269
316 3HB ALA 51 3HB ALA 51 -13.074 -3.795 -0.731
317 H CYS 52 H CYS 52 -9.601 -3.308 -3.591
318 HA CYS 52 HA CYS 52 -7.785 -2.103 -3.866
319 2HB CYS 52 2HB CYS 52 -8.076 0.475 -3.037
320 HG CYS 52 HG CYS 52 -9.406 0.894 -5.534
321 H GLN 53 H GLN 53 -8.196 -3.692 -1.521
322 HA GLN 53 HA GLN 53 -7.939 -2.758 0.894
323 2HB GLN 53 2HB GLN 53 -7.348 -5.153 -0.293
324 2HG GLN 53 2HG GLN 53 -4.770 -4.230 1.056
325 1HE2 GLN 53 2HE2 GLN 53 -5.578 -6.285 2.221
326 2HE2 GLN 53 1HE2 GLN 53 -5.017 -7.795 1.586
327 H THR 54 H THR 54 -5.416 -2.474 -1.637
328 HA THR 54 HA THR 54 -3.380 -1.508 0.063
329 HB THR 54 HB THR 54 -3.758 -0.926 -2.911
330 HG1 THR 54 HG1 THR 54 -3.383 -3.120 -3.185
331 1HG2 THR 54 1HG2 THR 54 -1.637 -0.370 -1.191
332 2HG2 THR 54 2HG2 THR 54 -1.201 -1.978 -1.820
333 3HG2 THR 54 3HG2 THR 54 -1.475 -0.627 -2.945
334 H GLY 55 H GLY 55 -6.116 -0.266 0.417
335 1HA GLY 55 1HA GLY 55 -5.778 2.463 -0.469
336 2HA GLY 55 2HA GLY 55 -7.072 1.801 0.512
337 H ILE 56 H ILE 56 -3.470 1.754 0.984
338 HA ILE 56 HA ILE 56 -3.502 2.068 3.688
339 HB ILE 56 HB ILE 56 -1.613 2.043 1.607
340 2HG1 ILE 56 2HG1 ILE 56 -0.893 2.141 4.528
341 1HG2 ILE 56 1HG2 ILE 56 -1.664 4.588 2.005
342 2HG2 ILE 56 2HG2 ILE 56 -0.844 4.219 3.541
343 3HG2 ILE 56 3HG2 ILE 56 -0.087 3.761 1.996
344 1HD1 ILE 56 1HD1 ILE 56 -2.909 0.434 3.267
345 2HD1 ILE 56 2HD1 ILE 56 -1.528 -0.521 3.853
346 3HD1 ILE 56 3HD1 ILE 56 -2.423 0.529 4.977
347 H VAL 57 H VAL 57 -4.754 4.239 1.405
348 HA VAL 57 HA VAL 57 -4.374 6.492 3.251
349 HB VAL 57 HB VAL 57 -5.452 7.377 0.806
350 1HG1 VAL 57 1HG1 VAL 57 -2.623 7.522 1.906
351 2HG1 VAL 57 2HG1 VAL 57 -3.277 8.541 0.600
352 3HG1 VAL 57 3HG1 VAL 57 -3.954 8.656 2.243
353 1HG2 VAL 57 1HG2 VAL 57 -3.204 5.378 0.406
354 2HG2 VAL 57 2HG2 VAL 57 -4.831 5.347 -0.318
355 3HG2 VAL 57 3HG2 VAL 57 -3.669 6.610 -0.791
356 H ASP 58 H ASP 58 -6.769 4.874 1.053
357 HA ASP 58 HA ASP 58 -8.896 6.258 2.332
358 2HB ASP 58 2HB ASP 58 -8.616 4.194 0.149
359 H GLU 59 H GLU 59 -7.184 3.154 2.547
360 HA GLU 59 HA GLU 59 -9.269 1.975 4.133
361 2HB GLU 59 2HB GLU 59 -7.637 0.023 4.230
362 2HG GLU 59 2HG GLU 59 -7.663 -0.237 1.590
363 H CYS 60 H CYS 60 -6.415 3.915 4.543
364 HA CYS 60 HA CYS 60 -5.782 2.959 7.152
365 2HB CYS 60 2HB CYS 60 -4.650 5.473 6.914
366 H CYS 61 H CYS 61 -7.596 5.693 5.647
367 HA CYS 61 HA CYS 61 -8.142 6.971 8.102
368 2HB CYS 61 2HB CYS 61 -10.057 7.443 5.936
369 H PHE 62 H PHE 62 -9.693 4.456 6.071
370 HA PHE 62 HA PHE 62 -12.042 4.428 7.753
371 2HB PHE 62 2HB PHE 62 -11.042 2.661 5.440
372 HD1 PHE 62 HD1 PHE 62 -13.975 3.719 7.461
373 HD2 PHE 62 HD2 PHE 62 -12.432 0.967 4.624
374 HE1 PHE 62 HE1 PHE 62 -16.054 2.330 7.678
375 HE2 PHE 62 HE2 PHE 62 -14.512 -0.423 4.841
376 HZ PHE 62 HZ PHE 62 -16.297 0.276 6.366
377 H ARG 63 H ARG 63 -9.200 2.336 6.966
378 HA ARG 63 HA ARG 63 -10.008 0.678 9.214
379 2HB ARG 63 2HB ARG 63 -7.852 -0.199 7.294
380 2HG ARG 63 2HG ARG 63 -9.502 -1.382 9.326
381 2HD ARG 63 2HD ARG 63 -9.786 -3.141 6.950
382 HE ARG 63 HE ARG 63 -11.010 -2.843 9.503
383 1HH1 ARG 63 2HH1 ARG 63 -11.936 -3.542 6.181
384 2HH1 ARG 63 1HH1 ARG 63 -13.324 -4.478 6.630
385 1HH2 ARG 63 2HH2 ARG 63 -12.839 -4.077 10.097
386 2HH2 ARG 63 1HH2 ARG 63 -13.840 -4.784 8.872
387 H SER 64 H SER 64 -8.929 1.320 11.063
388 HA SER 64 HA SER 64 -7.168 2.887 11.727
389 2HB SER 64 2HB SER 64 -6.123 1.395 13.334
390 HG SER 64 HG SER 64 -7.950 0.649 14.253
391 H CYS 65 H CYS 65 -5.383 3.858 10.845
392 HA CYS 65 HA CYS 65 -3.934 2.525 8.796
393 2HB CYS 65 2HB CYS 65 -3.289 5.153 10.143
394 H ASP 66 H ASP 66 -2.901 0.693 9.742
395 HA ASP 66 HA ASP 66 -1.229 1.218 12.037
396 2HB ASP 66 2HB ASP 66 -0.837 -1.427 11.490
397 H LEU 67 H LEU 67 0.705 2.190 11.292
398 HA LEU 67 HA LEU 67 1.916 2.219 8.982
399 2HB LEU 67 2HB LEU 67 3.142 1.782 11.695
400 HG LEU 67 HG LEU 67 4.595 1.495 9.320
401 1HD1 LEU 67 1HD1 LEU 67 4.198 4.254 9.707
402 2HD1 LEU 67 2HD1 LEU 67 5.864 3.914 10.236
403 3HD1 LEU 67 3HD1 LEU 67 5.339 3.455 8.598
404 1HD2 LEU 67 1HD2 LEU 67 5.032 0.890 11.826
405 2HD2 LEU 67 2HD2 LEU 67 6.397 1.164 10.718
406 3HD2 LEU 67 3HD2 LEU 67 5.899 2.445 11.848
407 H ARG 68 H ARG 68 1.705 -0.679 11.066
408 HA ARG 68 HA ARG 68 3.515 -2.309 10.101
409 2HB ARG 68 2HB ARG 68 0.579 -3.146 10.278
410 2HG ARG 68 2HG ARG 68 3.166 -4.556 10.159
411 2HD ARG 68 2HD ARG 68 1.957 -6.281 11.898
412 HE ARG 68 HE ARG 68 4.142 -4.342 12.194
413 1HH1 ARG 68 1HH1 ARG 68 2.347 -6.943 13.743
414 2HH1 ARG 68 2HH1 ARG 68 3.622 -7.338 14.846
415 1HH2 ARG 68 1HH2 ARG 68 5.825 -4.863 13.650
416 2HH2 ARG 68 2HH2 ARG 68 5.614 -6.147 14.793
417 H ARG 69 H ARG 69 0.795 -0.954 8.288
418 HA ARG 69 HA ARG 69 0.924 -2.852 6.204
419 2HB ARG 69 2HB ARG 69 -0.225 -0.366 5.288
420 2HG ARG 69 2HG ARG 69 -1.231 -3.085 6.157
421 2HD ARG 69 2HD ARG 69 -3.294 -1.390 4.932
422 HE ARG 69 HE ARG 69 -3.305 -3.642 6.479
423 1HH1 ARG 69 1HH1 ARG 69 -4.633 -0.431 7.029
424 2HH1 ARG 69 2HH1 ARG 69 -5.928 -0.997 8.031
425 1HH2 ARG 69 1HH2 ARG 69 -5.013 -4.392 7.800
426 2HH2 ARG 69 2HH2 ARG 69 -6.145 -3.266 8.472
427 H LEU 70 H LEU 70 1.960 0.611 6.613
428 HA LEU 70 HA LEU 70 2.965 1.188 4.204
429 2HB LEU 70 2HB LEU 70 3.285 2.105 6.860
430 HG LEU 70 HG LEU 70 5.524 3.198 6.625
431 1HD1 LEU 70 1HD1 LEU 70 4.865 0.628 7.636
432 2HD1 LEU 70 2HD1 LEU 70 6.500 0.531 6.940
433 3HD1 LEU 70 3HD1 LEU 70 6.133 1.749 8.186
434 1HD2 LEU 70 1HD2 LEU 70 5.531 2.108 4.094
435 2HD2 LEU 70 2HD2 LEU 70 6.929 2.819 4.935
436 3HD2 LEU 70 3HD2 LEU 70 6.663 1.060 4.983
437 H GLU 71 H GLU 71 4.441 -0.991 6.650
438 HA GLU 71 HA GLU 71 6.753 -1.363 5.033
439 2HB GLU 71 2HB GLU 71 6.924 -1.493 7.475
440 2HG GLU 71 2HG GLU 71 4.901 -3.740 7.127
441 H MET 72 H MET 72 3.619 -2.972 5.584
442 HA MET 72 HA MET 72 4.396 -5.349 4.255
443 2HB MET 72 2HB MET 72 1.582 -5.193 4.206
444 2HG MET 72 2HG MET 72 1.676 -6.540 6.293
445 1HE MET 72 1HE MET 72 2.792 -8.862 6.724
446 2HE MET 72 2HE MET 72 1.461 -9.041 5.555
447 3HE MET 72 3HE MET 72 2.999 -9.900 5.292
448 H TYR 73 H TYR 73 2.662 -2.320 3.377
449 HA TYR 73 HA TYR 73 2.005 -3.278 0.758
450 2HB TYR 73 2HB TYR 73 1.630 -0.595 0.678
451 HD1 TYR 73 HD1 TYR 73 0.543 -3.624 2.412
452 HD2 TYR 73 HD2 TYR 73 -0.633 0.294 1.158
453 HE1 TYR 73 HE1 TYR 73 -1.897 -4.229 2.785
454 HE2 TYR 73 HE2 TYR 73 -3.070 -0.325 1.535
455 HH TYR 73 HH TYR 73 -4.175 -2.303 3.272
456 H CYS 74 H CYS 74 4.804 -1.894 2.297
457 HA CYS 74 HA CYS 74 5.910 -0.291 0.447
458 2HB CYS 74 2HB CYS 74 7.944 -2.103 1.346
459 H ALA 75 H ALA 75 4.418 -1.841 -1.240
460 HA ALA 75 HA ALA 75 5.843 -4.030 -2.336
461 1HB ALA 75 1HB ALA 75 3.329 -2.579 -2.745
462 2HB ALA 75 2HB ALA 75 4.078 -3.079 -4.280
463 3HB ALA 75 3HB ALA 75 3.713 -4.293 -3.031
464 HA PRO 76 HA PRO 76 8.387 -2.033 -5.213
465 2HB PRO 76 2HB PRO 76 9.120 -4.005 -6.149
466 2HG PRO 76 2HG PRO 76 7.637 -5.763 -5.976
467 2HD PRO 76 2HD PRO 76 6.423 -5.092 -4.142
468 H LEU 77 H LEU 77 8.257 -0.014 -5.937
469 HA LEU 77 HA LEU 77 6.763 0.486 -8.276
470 2HB LEU 77 2HB LEU 77 5.563 2.112 -6.150
471 HG LEU 77 HG LEU 77 4.880 1.402 -8.768
472 1HD1 LEU 77 1HD1 LEU 77 3.370 -0.230 -6.788
473 2HD1 LEU 77 2HD1 LEU 77 2.447 0.526 -8.108
474 3HD1 LEU 77 3HD1 LEU 77 3.796 -0.574 -8.482
475 1HD2 LEU 77 1HD2 LEU 77 4.308 3.391 -7.039
476 2HD2 LEU 77 2HD2 LEU 77 3.454 3.139 -8.580
477 3HD2 LEU 77 3HD2 LEU 77 2.744 2.542 -7.062
478 H LYS 78 H LYS 78 7.998 1.954 -9.307
479 HA LYS 78 HA LYS 78 10.136 3.218 -8.111
480 2HB LYS 78 2HB LYS 78 10.608 3.626 -10.243
481 2HG LYS 78 2HG LYS 78 7.717 2.817 -10.812
482 2HD LYS 78 2HD LYS 78 9.452 3.969 -12.598
483 2HE LYS 78 2HE LYS 78 9.743 1.134 -13.445
484 1HZ LYS 78 1HZ LYS 78 10.684 3.382 -14.319
485 2HZ LYS 78 2HZ LYS 78 11.893 3.065 -13.271
486 3HZ LYS 78 3HZ LYS 78 11.545 2.003 -14.460
487 HA PRO 79 HA PRO 79 8.593 6.877 -6.398
488 2HB PRO 79 2HB PRO 79 10.677 7.780 -6.024
489 2HG PRO 79 2HG PRO 79 12.314 7.063 -7.483
490 2HD PRO 79 2HD PRO 79 11.421 5.050 -8.141
491 H ALA 80 H ALA 80 7.584 9.082 -6.581
492 HA ALA 80 HA ALA 80 6.815 9.820 -9.226
493 1HB ALA 80 1HB ALA 80 5.367 7.737 -8.391
494 2HB ALA 80 2HB ALA 80 4.478 9.013 -7.525
495 3HB ALA 80 3HB ALA 80 4.629 9.081 -9.297
496 H LYS 81 H LYS 81 7.090 11.984 -9.016
497 HA LYS 81 HA LYS 81 5.452 13.514 -7.392
498 2HB LYS 81 2HB LYS 81 8.190 13.003 -6.205
499 2HG LYS 81 2HG LYS 81 6.673 14.764 -4.579
500 2HD LYS 81 2HD LYS 81 8.743 16.039 -6.267
501 2HE LYS 81 2HE LYS 81 8.379 15.432 -3.300
502 1HZ LYS 81 1HZ LYS 81 10.703 16.180 -4.732
503 2HZ LYS 81 2HZ LYS 81 10.303 17.298 -3.611
504 3HZ LYS 81 3HZ LYS 81 10.547 15.746 -3.166
505 H SER 82 H SER 82 6.350 13.328 -10.113
506 HA SER 82 HA SER 82 8.286 14.636 -11.121
507 2HB SER 82 2HB SER 82 5.431 15.535 -11.706
508 HG SER 82 HG SER 82 7.839 15.410 -13.311
509 H ALA 83 H ALA 83 5.538 16.446 -9.565
510 HA ALA 83 HA ALA 83 6.960 18.923 -9.721
511 1HB ALA 83 1HB ALA 83 4.309 18.116 -9.458
512 2HB ALA 83 2HB ALA 83 4.700 18.771 -7.849
513 3HB ALA 83 3HB ALA 83 4.914 19.782 -9.298