Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | in_dress | stage | position | program | type |
|
|
2939 | 1cw5 RC | 4506 | cing | recoord | dress | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H VAL 1 H VAL 1 -26.712 15.430 11.481
2 HA VAL 1 HA VAL 1 -26.369 16.042 9.097
3 HB VAL 1 HB VAL 1 -25.949 17.927 10.384
4 1HG1 VAL 1 1HG1 VAL 1 -25.176 17.193 12.440
5 2HG1 VAL 1 2HG1 VAL 1 -23.942 16.134 11.717
6 3HG1 VAL 1 3HG1 VAL 1 -23.672 17.891 11.793
7 1HG2 VAL 1 1HG2 VAL 1 -24.003 18.952 9.495
8 2HG2 VAL 1 2HG2 VAL 1 -23.110 17.413 9.449
9 3HG2 VAL 1 3HG2 VAL 1 -24.429 17.711 8.292
10 H ASN 2 H ASN 2 -23.246 16.839 9.191
11 HA ASN 2 HA ASN 2 -21.497 16.201 7.883
12 1HB ASN 2 2HB ASN 2 -22.049 13.889 9.688
13 2HB ASN 2 1HB ASN 2 -20.803 13.725 8.458
14 1HD2 ASN 2 1HD2 ASN 2 -21.706 15.183 11.437
15 2HD2 ASN 2 2HD2 ASN 2 -20.182 15.917 11.792
16 H TYR 3 H TYR 3 -23.864 16.083 6.427
17 HA TYR 3 HA TYR 3 -24.046 13.547 5.053
18 1HB TYR 3 2HB TYR 3 -25.464 16.154 4.964
19 2HB TYR 3 1HB TYR 3 -25.442 15.237 3.461
20 HD1 TYR 3 1HD TYR 3 -27.344 15.862 6.236
21 HD2 TYR 3 2HD TYR 3 -25.902 12.562 3.971
22 HE1 TYR 3 1HE TYR 3 -29.182 14.478 7.095
23 HE2 TYR 3 2HE TYR 3 -27.741 11.172 4.824
24 HH TYR 3 HH TYR 3 -30.275 11.879 5.819
25 H GLY 4 H GLY 4 -22.335 13.014 3.747
26 1HA GLY 4 2HA GLY 4 -21.765 14.713 1.475
27 2HA GLY 4 1HA GLY 4 -20.425 14.575 2.607
28 H ASN 5 H ASN 5 -19.828 12.266 3.190
29 HA ASN 5 HA ASN 5 -20.477 10.213 1.298
30 1HB ASN 5 2HB ASN 5 -17.944 11.776 1.029
31 2HB ASN 5 1HB ASN 5 -17.897 10.044 0.718
32 1HD2 ASN 5 1HD2 ASN 5 -18.795 13.110 -0.464
33 2HD2 ASN 5 2HD2 ASN 5 -19.476 12.591 -1.965
34 H GLY 6 H GLY 6 -20.395 10.658 4.198
35 1HA GLY 6 2HA GLY 6 -18.534 8.466 4.942
36 2HA GLY 6 1HA GLY 6 -18.856 9.841 5.986
37 H VAL 7 H VAL 7 -21.780 9.557 4.903
38 HA VAL 7 HA VAL 7 -22.625 7.813 7.070
39 HB VAL 7 HB VAL 7 -24.941 8.571 6.392
40 1HG1 VAL 7 1HG1 VAL 7 -24.586 10.915 7.235
41 2HG1 VAL 7 2HG1 VAL 7 -22.856 10.583 7.204
42 3HG1 VAL 7 3HG1 VAL 7 -23.918 9.633 8.245
43 1HG2 VAL 7 1HG2 VAL 7 -24.124 9.150 4.030
44 2HG2 VAL 7 2HG2 VAL 7 -23.561 10.660 4.744
45 3HG2 VAL 7 3HG2 VAL 7 -25.274 10.243 4.802
46 H SER 8 H SER 8 -22.568 7.910 3.574
47 HA SER 8 HA SER 8 -23.977 5.322 3.428
48 1HB SER 8 2HB SER 8 -24.929 7.068 2.020
49 2HB SER 8 1HB SER 8 -23.356 7.363 1.278
50 HG SER 8 HG SER 8 -25.025 5.869 0.232
51 H CYS 9 H CYS 9 -22.218 4.012 4.053
52 HA CYS 9 HA CYS 9 -19.661 4.180 2.840
53 1HB CYS 9 2HB CYS 9 -20.313 3.073 5.081
54 2HB CYS 9 1HB CYS 9 -20.744 1.675 4.100
55 H SER 10 H SER 10 -18.907 3.408 1.001
56 HA SER 10 HA SER 10 -20.530 2.416 -1.024
57 1HB SER 10 2HB SER 10 -18.205 1.596 -1.952
58 2HB SER 10 1HB SER 10 -18.557 3.321 -1.821
59 HG SER 10 HG SER 10 -16.737 3.280 -0.738
60 H LYS 11 H LYS 11 -20.590 0.378 -2.055
61 HA LYS 11 HA LYS 11 -21.168 -1.829 -2.000
62 1HB LYS 11 2HB LYS 11 -18.501 -2.059 -0.611
63 2HB LYS 11 1HB LYS 11 -19.331 -3.332 -1.495
64 1HG LYS 11 2HG LYS 11 -18.616 -2.591 -3.480
65 2HG LYS 11 1HG LYS 11 -18.868 -0.897 -3.051
66 1HD LYS 11 2HD LYS 11 -16.556 -1.054 -3.295
67 2HD LYS 11 1HD LYS 11 -16.795 -1.191 -1.552
68 1HE LYS 11 2HE LYS 11 -16.662 -3.629 -3.289
69 2HE LYS 11 1HE LYS 11 -15.191 -2.841 -2.720
70 1HZ LYS 11 1HZ LYS 11 -16.169 -3.062 -0.425
71 2HZ LYS 11 2HZ LYS 11 -15.689 -4.506 -1.161
72 3HZ LYS 11 3HZ LYS 11 -17.328 -4.095 -1.098
73 H THR 12 H THR 12 -21.566 -3.794 -0.683
74 HA THR 12 HA THR 12 -22.578 -3.004 1.920
75 HB THR 12 HB THR 12 -24.109 -4.185 0.475
76 HG1 THR 12 1HG THR 12 -24.190 -4.641 2.733
77 1HG2 THR 12 1HG2 THR 12 -23.639 -6.696 0.133
78 2HG2 THR 12 2HG2 THR 12 -21.947 -6.233 0.314
79 3HG2 THR 12 3HG2 THR 12 -22.924 -5.525 -0.972
80 H LYS 13 H LYS 13 -20.054 -2.893 2.349
81 HA LYS 13 HA LYS 13 -19.521 -5.103 4.107
82 1HB LYS 13 2HB LYS 13 -18.161 -4.894 1.517
83 2HB LYS 13 1HB LYS 13 -17.071 -5.047 2.882
84 1HG LYS 13 2HG LYS 13 -19.273 -6.923 3.035
85 2HG LYS 13 1HG LYS 13 -18.331 -7.105 1.553
86 1HD LYS 13 2HD LYS 13 -16.796 -6.782 4.063
87 2HD LYS 13 1HD LYS 13 -17.679 -8.296 3.869
88 1HE LYS 13 2HE LYS 13 -15.378 -8.460 3.031
89 2HE LYS 13 1HE LYS 13 -16.567 -8.706 1.753
90 1HZ LYS 13 1HZ LYS 13 -16.199 -6.497 0.963
91 2HZ LYS 13 2HZ LYS 13 -14.692 -7.252 1.111
92 3HZ LYS 13 3HZ LYS 13 -15.191 -6.127 2.272
93 H CYS 14 H CYS 14 -16.971 -3.126 2.698
94 HA CYS 14 HA CYS 14 -15.778 -1.351 3.503
95 1HB CYS 14 2HB CYS 14 -17.847 -1.157 5.693
96 2HB CYS 14 1HB CYS 14 -16.661 0.071 5.260
97 H SER 15 H SER 15 -14.005 -2.606 4.048
98 HA SER 15 HA SER 15 -13.453 -2.815 6.850
99 1HB SER 15 2HB SER 15 -14.072 -5.270 5.255
100 2HB SER 15 1HB SER 15 -12.868 -5.352 6.539
101 HG SER 15 HG SER 15 -15.381 -4.194 7.042
102 H VAL 16 H VAL 16 -12.438 -3.945 3.622
103 HA VAL 16 HA VAL 16 -9.912 -2.635 3.901
104 HB VAL 16 HB VAL 16 -9.470 -4.604 5.280
105 1HG1 VAL 16 1HG1 VAL 16 -9.753 -6.373 2.887
106 2HG1 VAL 16 2HG1 VAL 16 -11.152 -5.999 3.900
107 3HG1 VAL 16 3HG1 VAL 16 -9.741 -6.792 4.602
108 1HG2 VAL 16 1HG2 VAL 16 -7.371 -4.961 4.464
109 2HG2 VAL 16 2HG2 VAL 16 -7.822 -3.559 3.493
110 3HG2 VAL 16 3HG2 VAL 16 -7.930 -5.179 2.806
111 H ASN 17 H ASN 17 -9.578 -1.856 1.936
112 HA ASN 17 HA ASN 17 -10.724 -3.138 -0.400
113 1HB ASN 17 2HB ASN 17 -9.060 -0.614 -0.252
114 2HB ASN 17 1HB ASN 17 -10.067 -1.143 -1.600
115 1HD2 ASN 17 1HD2 ASN 17 -12.221 -0.757 -1.567
116 2HD2 ASN 17 2HD2 ASN 17 -13.023 0.129 -0.319
117 H TRP 18 H TRP 18 -9.479 -3.590 -2.326
118 HA TRP 18 HA TRP 18 -7.195 -5.168 -1.799
119 1HB TRP 18 2HB TRP 18 -8.939 -4.857 -3.934
120 2HB TRP 18 1HB TRP 18 -7.420 -4.233 -4.574
121 HD1 TRP 18 HD TRP 18 -5.254 -6.004 -4.290
122 HE1 TRP 18 1HE TRP 18 -5.242 -8.562 -4.563
123 HE3 TRP 18 3HE TRP 18 -10.260 -6.902 -3.764
124 HZ2 TRP 18 2HZ TRP 18 -7.106 -10.680 -4.562
125 HZ3 TRP 18 3HZ TRP 18 -11.063 -9.223 -3.914
126 HH2 TRP 18 HH TRP 18 -9.518 -11.073 -4.305
127 H GLY 19 H GLY 19 -7.660 -1.841 -2.762
128 1HA GLY 19 2HA GLY 19 -5.259 -1.068 -3.807
129 2HA GLY 19 1HA GLY 19 -6.200 -0.060 -2.720
130 H GLN 20 H GLN 20 -5.963 -1.413 -0.330
131 HA GLN 20 HA GLN 20 -3.456 -0.538 0.579
132 1HB GLN 20 2HB GLN 20 -5.752 -1.225 1.812
133 2HB GLN 20 1HB GLN 20 -4.804 -2.669 2.134
134 1HG GLN 20 2HG GLN 20 -3.092 -0.552 2.713
135 2HG GLN 20 1HG GLN 20 -4.661 -0.059 3.349
136 1HE2 GLN 20 1HE2 GLN 20 -5.370 -0.935 5.197
137 2HE2 GLN 20 2HE2 GLN 20 -4.564 -2.186 6.072
138 H ALA 21 H ALA 21 -4.631 -3.802 -0.158
139 HA ALA 21 HA ALA 21 -2.331 -5.220 0.575
140 1HB ALA 21 1HB ALA 21 -4.286 -6.471 0.232
141 2HB ALA 21 2HB ALA 21 -3.218 -6.929 -1.095
142 3HB ALA 21 3HB ALA 21 -4.537 -5.794 -1.378
143 H PHE 22 H PHE 22 -3.318 -4.271 -2.742
144 HA PHE 22 HA PHE 22 -1.071 -5.140 -4.063
145 1HB PHE 22 2HB PHE 22 -3.113 -4.031 -5.136
146 2HB PHE 22 1HB PHE 22 -2.326 -2.489 -4.781
147 HD1 PHE 22 1HD PHE 22 -1.651 -5.767 -6.401
148 HD2 PHE 22 2HD PHE 22 -0.848 -1.605 -6.236
149 HE1 PHE 22 1HE PHE 22 -0.157 -5.979 -8.326
150 HE2 PHE 22 2HE PHE 22 0.626 -1.798 -8.166
151 HZ PHE 22 HZ PHE 22 0.980 -3.991 -9.235
152 H GLN 23 H GLN 23 -1.413 -2.157 -2.199
153 HA GLN 23 HA GLN 23 1.066 -1.108 -3.202
154 1HB GLN 23 2HB GLN 23 -1.126 0.010 -1.947
155 2HB GLN 23 1HB GLN 23 0.078 0.031 -0.667
156 1HG GLN 23 2HG GLN 23 1.620 1.110 -2.415
157 2HG GLN 23 1HG GLN 23 0.136 1.401 -3.324
158 1HE2 GLN 23 1HE2 GLN 23 0.768 3.659 -3.033
159 2HE2 GLN 23 2HE2 GLN 23 0.298 4.472 -1.583
160 H GLU 24 H GLU 24 0.061 -2.949 -0.392
161 HA GLU 24 HA GLU 24 2.531 -2.589 1.033
162 1HB GLU 24 2HB GLU 24 0.056 -3.419 1.791
163 2HB GLU 24 1HB GLU 24 0.872 -4.967 1.628
164 1HG GLU 24 2HG GLU 24 2.690 -3.466 3.028
165 2HG GLU 24 1HG GLU 24 1.144 -2.914 3.670
166 H ARG 25 H ARG 25 1.186 -4.805 -1.263
167 HA ARG 25 HA ARG 25 3.193 -6.821 -1.031
168 1HB ARG 25 2HB ARG 25 0.661 -6.579 -2.153
169 2HB ARG 25 1HB ARG 25 1.724 -6.732 -3.544
170 1HG ARG 25 2HG ARG 25 2.533 -8.818 -2.828
171 2HG ARG 25 1HG ARG 25 1.851 -8.613 -1.214
172 1HD ARG 25 2HD ARG 25 -0.369 -8.401 -2.768
173 2HD ARG 25 1HD ARG 25 0.595 -9.548 -3.698
174 HE ARG 25 HE ARG 25 0.598 -10.324 -1.002
175 1HH1 ARG 25 1HH1 ARG 25 -1.572 -10.139 -3.730
176 2HH1 ARG 25 2HH1 ARG 25 -2.559 -11.456 -3.189
177 1HH2 ARG 25 1HH2 ARG 25 -0.696 -12.049 -0.292
178 2HH2 ARG 25 2HH2 ARG 25 -2.062 -12.540 -1.237
179 H TYR 26 H TYR 26 2.332 -4.601 -3.670
180 HA TYR 26 HA TYR 26 4.604 -5.108 -5.222
181 1HB TYR 26 2HB TYR 26 3.577 -3.806 -6.731
182 2HB TYR 26 1HB TYR 26 2.242 -3.905 -5.601
183 HD1 TYR 26 1HD TYR 26 5.205 -1.726 -6.313
184 HD2 TYR 26 2HD TYR 26 1.203 -1.984 -5.005
185 HE1 TYR 26 1HE TYR 26 5.046 0.716 -6.251
186 HE2 TYR 26 2HE TYR 26 1.008 0.426 -4.940
187 HH TYR 26 HH TYR 26 3.601 2.449 -4.957
188 H THR 27 H THR 27 3.938 -2.209 -3.183
189 HA THR 27 HA THR 27 6.422 -1.004 -3.662
190 HB THR 27 HB THR 27 5.057 -0.712 -1.007
191 HG1 THR 27 1HG THR 27 3.329 0.029 -1.894
192 1HG2 THR 27 1HG2 THR 27 6.814 0.921 -2.700
193 2HG2 THR 27 2HG2 THR 27 6.630 0.883 -0.947
194 3HG2 THR 27 3HG2 THR 27 5.475 1.776 -1.937
195 H ALA 28 H ALA 28 5.457 -3.454 -1.341
196 HA ALA 28 HA ALA 28 7.669 -3.459 0.336
197 1HB ALA 28 1HB ALA 28 7.169 -6.051 0.334
198 2HB ALA 28 2HB ALA 28 5.729 -5.536 -0.545
199 3HB ALA 28 3HB ALA 28 6.051 -4.903 1.070
200 H GLY 29 H GLY 29 7.201 -5.222 -2.714
201 1HA GLY 29 2HA GLY 29 9.915 -6.220 -2.717
202 2HA GLY 29 1HA GLY 29 8.714 -6.436 -3.984
203 H ILE 30 H ILE 30 8.137 -3.614 -4.275
204 HA ILE 30 HA ILE 30 10.225 -2.965 -6.125
205 HB ILE 30 HB ILE 30 7.758 -1.454 -5.251
206 1HG1 ILE 30 2HG1 ILE 30 8.485 -3.218 -7.572
207 2HG1 ILE 30 1HG1 ILE 30 7.075 -3.296 -6.525
208 1HG2 ILE 30 1HG2 ILE 30 8.174 0.056 -7.153
209 2HG2 ILE 30 2HG2 ILE 30 9.737 -0.720 -7.407
210 3HG2 ILE 30 3HG2 ILE 30 9.428 0.171 -5.918
211 1HD1 ILE 30 1HD1 ILE 30 6.013 -2.392 -8.263
212 2HD1 ILE 30 2HD1 ILE 30 7.506 -1.809 -8.999
213 3HD1 ILE 30 3HD1 ILE 30 6.733 -0.878 -7.716
214 H ASN 31 H ASN 31 9.400 -2.030 -2.865
215 HA ASN 31 HA ASN 31 11.048 0.300 -2.749
216 1HB ASN 31 2HB ASN 31 9.151 -0.108 -1.187
217 2HB ASN 31 1HB ASN 31 10.058 -1.444 -0.475
218 1HD2 ASN 31 1HD2 ASN 31 9.089 1.353 0.383
219 2HD2 ASN 31 2HD2 ASN 31 10.468 2.009 1.192
220 H SER 32 H SER 32 11.425 -3.055 -1.622
221 HA SER 32 HA SER 32 13.955 -2.844 -0.494
222 1HB SER 32 2HB SER 32 12.509 -5.122 -1.831
223 2HB SER 32 1HB SER 32 14.150 -5.328 -1.214
224 HG SER 32 HG SER 32 13.429 -5.218 0.780
225 H PHE 33 H PHE 33 13.040 -3.536 -3.849
226 HA PHE 33 HA PHE 33 15.475 -4.086 -4.987
227 1HB PHE 33 2HB PHE 33 14.012 -4.195 -6.700
228 2HB PHE 33 1HB PHE 33 12.894 -3.093 -5.910
229 HD1 PHE 33 1HD PHE 33 15.357 -3.474 -8.495
230 HD2 PHE 33 2HD PHE 33 13.261 -0.614 -6.152
231 HE1 PHE 33 1HE PHE 33 15.956 -1.719 -10.108
232 HE2 PHE 33 2HE PHE 33 13.848 1.145 -7.764
233 HZ PHE 33 HZ PHE 33 15.198 0.593 -9.748
234 H VAL 34 H VAL 34 14.183 -0.960 -4.023
235 HA VAL 34 HA VAL 34 16.180 0.606 -5.301
236 HB VAL 34 HB VAL 34 14.689 1.520 -2.864
237 1HG1 VAL 34 1HG1 VAL 34 15.546 2.930 -5.381
238 2HG1 VAL 34 2HG1 VAL 34 16.420 2.954 -3.850
239 3HG1 VAL 34 3HG1 VAL 34 14.812 3.670 -3.958
240 1HG2 VAL 34 1HG2 VAL 34 12.975 0.508 -4.178
241 2HG2 VAL 34 2HG2 VAL 34 13.621 1.209 -5.662
242 3HG2 VAL 34 3HG2 VAL 34 12.882 2.248 -4.446
243 H SER 35 H SER 35 15.656 -0.023 -1.848
244 HA SER 35 HA SER 35 17.978 1.049 -0.849
245 1HB SER 35 2HB SER 35 15.925 -0.458 0.182
246 2HB SER 35 1HB SER 35 17.322 -1.509 0.409
247 HG SER 35 HG SER 35 18.195 -0.091 1.761
248 H GLY 36 H GLY 36 17.541 -2.393 -1.696
249 1HA GLY 36 2HA GLY 36 20.180 -3.205 -1.336
250 2HA GLY 36 1HA GLY 36 19.048 -3.962 -2.449
251 H VAL 37 H VAL 37 18.633 -2.352 -4.425
252 HA VAL 37 HA VAL 37 20.965 -2.383 -5.974
253 HB VAL 37 HB VAL 37 18.366 -0.891 -6.343
254 1HG1 VAL 37 1HG1 VAL 37 20.120 0.274 -7.580
255 2HG1 VAL 37 2HG1 VAL 37 18.994 -0.537 -8.667
256 3HG1 VAL 37 3HG1 VAL 37 20.580 -1.242 -8.355
257 1HG2 VAL 37 1HG2 VAL 37 17.899 -2.648 -7.982
258 2HG2 VAL 37 2HG2 VAL 37 18.189 -3.318 -6.376
259 3HG2 VAL 37 3HG2 VAL 37 19.447 -3.403 -7.609
260 H ALA 38 H ALA 38 19.768 -0.055 -3.699
261 HA ALA 38 HA ALA 38 21.208 2.195 -4.750
262 1HB ALA 38 1HB ALA 38 19.548 1.628 -2.381
263 2HB ALA 38 2HB ALA 38 19.542 3.016 -3.470
264 3HB ALA 38 3HB ALA 38 20.756 2.900 -2.196
265 H SER 39 H SER 39 21.954 -0.440 -2.615
266 HA SER 39 HA SER 39 24.226 0.777 -1.383
267 1HB SER 39 2HB SER 39 24.534 -1.252 -0.272
268 2HB SER 39 1HB SER 39 22.797 -1.244 -0.573
269 HG SER 39 HG SER 39 23.941 -3.234 -1.124
270 H GLY 40 H GLY 40 23.787 -1.525 -4.051
271 1HA GLY 40 2HA GLY 40 26.584 -1.796 -4.566
272 2HA GLY 40 1HA GLY 40 25.279 -2.323 -5.615
273 H ALA 41 H ALA 41 23.985 -0.048 -6.271
274 HA ALA 41 HA ALA 41 25.510 2.203 -6.875
275 1HB ALA 41 1HB ALA 41 25.787 1.795 -9.357
276 2HB ALA 41 2HB ALA 41 25.561 0.084 -8.991
277 3HB ALA 41 3HB ALA 41 26.913 0.968 -8.281
278 H GLY 42 H GLY 42 23.476 2.943 -6.224
279 1HA GLY 42 2HA GLY 42 21.279 2.658 -8.169
280 2HA GLY 42 1HA GLY 42 21.113 3.204 -6.508
281 H SER 43 H SER 43 23.677 4.450 -8.500
282 HA SER 43 HA SER 43 22.300 7.056 -8.533
283 1HB SER 43 2HB SER 43 24.516 8.077 -8.647
284 2HB SER 43 1HB SER 43 24.417 6.995 -7.260
285 HG SER 43 HG SER 43 26.035 6.875 -9.447
286 H ILE 44 H ILE 44 21.913 4.946 -10.531
287 HA ILE 44 HA ILE 44 21.974 6.509 -12.850
288 HB ILE 44 HB ILE 44 24.402 6.149 -12.766
289 1HG1 ILE 44 2HG1 ILE 44 24.597 5.028 -15.071
290 2HG1 ILE 44 1HG1 ILE 44 22.848 4.848 -14.997
291 1HG2 ILE 44 1HG2 ILE 44 24.099 3.263 -13.394
292 2HG2 ILE 44 2HG2 ILE 44 23.965 3.768 -11.709
293 3HG2 ILE 44 3HG2 ILE 44 25.433 4.122 -12.623
294 1HD1 ILE 44 1HD1 ILE 44 23.754 6.860 -16.237
295 2HD1 ILE 44 2HD1 ILE 44 24.194 7.505 -14.655
296 3HD1 ILE 44 3HD1 ILE 44 22.504 7.167 -15.031
297 H GLY 45 H GLY 45 19.837 5.449 -12.301
298 1HA GLY 45 2HA GLY 45 19.226 3.517 -14.249
299 2HA GLY 45 1HA GLY 45 19.383 2.705 -12.698
300 H ARG 46 H ARG 46 18.172 5.977 -13.095
301 HA ARG 46 HA ARG 46 15.597 5.092 -11.998
302 1HB ARG 46 2HB ARG 46 16.928 7.800 -12.120
303 2HB ARG 46 1HB ARG 46 15.267 7.570 -11.590
304 1HG ARG 46 2HG ARG 46 15.973 6.254 -9.723
305 2HG ARG 46 1HG ARG 46 17.638 6.236 -10.305
306 1HD ARG 46 2HD ARG 46 17.385 8.840 -10.171
307 2HD ARG 46 1HD ARG 46 16.088 8.450 -9.043
308 HE ARG 46 HE ARG 46 18.415 7.015 -8.355
309 1HH1 ARG 46 1HH1 ARG 46 17.119 10.255 -8.308
310 2HH1 ARG 46 2HH1 ARG 46 18.070 10.748 -6.947
311 1HH2 ARG 46 1HH2 ARG 46 19.664 7.663 -6.565
312 2HH2 ARG 46 2HH2 ARG 46 19.514 9.278 -5.958
313 H ARG 47 H ARG 47 15.655 4.326 -14.496
314 HA ARG 47 HA ARG 47 13.963 6.282 -15.904
315 1HB ARG 47 2HB ARG 47 16.192 4.627 -17.096
316 2HB ARG 47 1HB ARG 47 14.975 5.459 -18.053
317 1HG ARG 47 2HG ARG 47 16.609 7.026 -18.106
318 2HG ARG 47 1HG ARG 47 15.790 7.530 -16.626
319 1HD ARG 47 2HD ARG 47 17.989 7.495 -15.941
320 2HD ARG 47 1HD ARG 47 17.453 5.880 -15.480
321 HE ARG 47 HE ARG 47 18.950 5.021 -16.967
322 1HH1 ARG 47 1HH1 ARG 47 18.325 8.341 -17.840
323 2HH1 ARG 47 2HH1 ARG 47 19.519 8.367 -19.093
324 1HH2 ARG 47 1HH2 ARG 47 20.523 5.053 -18.615
325 2HH2 ARG 47 2HH2 ARG 47 20.768 6.501 -19.535
326 HA PRO 48 HA PRO 48 11.545 2.405 -15.377
327 1HB PRO 48 2HB PRO 48 9.451 4.311 -16.269
328 2HB PRO 48 1HB PRO 48 9.433 3.175 -14.915
329 1HG PRO 48 2HG PRO 48 9.732 5.794 -14.505
330 2HG PRO 48 1HG PRO 48 10.615 4.606 -13.528
331 1HD PRO 48 2HD PRO 48 11.589 6.317 -15.774
332 2HD PRO 48 1HD PRO 48 12.422 5.827 -14.283
Start of MODEL 2
1 H VAL 1 H VAL 1 -7.784 14.521 -2.521
2 HA VAL 1 HA VAL 1 -9.540 14.221 -0.790
3 HB VAL 1 HB VAL 1 -9.221 16.957 -2.060
4 1HG1 VAL 1 1HG1 VAL 1 -10.321 17.920 -0.133
5 2HG1 VAL 1 2HG1 VAL 1 -11.428 16.714 -0.832
6 3HG1 VAL 1 3HG1 VAL 1 -10.494 16.323 0.632
7 1HG2 VAL 1 1HG2 VAL 1 -7.722 17.333 -0.200
8 2HG2 VAL 1 2HG2 VAL 1 -8.218 15.809 0.576
9 3HG2 VAL 1 3HG2 VAL 1 -7.278 15.774 -0.935
10 H ASN 2 H ASN 2 -10.539 14.397 -3.986
11 HA ASN 2 HA ASN 2 -13.256 15.156 -3.508
12 1HB ASN 2 2HB ASN 2 -13.632 14.556 -5.857
13 2HB ASN 2 1HB ASN 2 -12.243 15.623 -5.672
14 1HD2 ASN 2 1HD2 ASN 2 -13.345 12.463 -6.527
15 2HD2 ASN 2 2HD2 ASN 2 -11.850 11.885 -7.170
16 H TYR 3 H TYR 3 -11.551 12.097 -3.862
17 HA TYR 3 HA TYR 3 -12.158 9.953 -3.376
18 1HB TYR 3 2HB TYR 3 -14.603 11.301 -2.196
19 2HB TYR 3 1HB TYR 3 -14.329 9.571 -2.157
20 HD1 TYR 3 1HD TYR 3 -14.163 12.390 -0.251
21 HD2 TYR 3 2HD TYR 3 -11.778 9.016 -1.265
22 HE1 TYR 3 1HE TYR 3 -12.918 12.649 1.848
23 HE2 TYR 3 2HE TYR 3 -10.523 9.266 0.837
24 HH TYR 3 HH TYR 3 -11.442 10.687 3.356
25 H GLY 4 H GLY 4 -12.262 9.508 -5.652
26 1HA GLY 4 2HA GLY 4 -14.940 8.792 -6.541
27 2HA GLY 4 1HA GLY 4 -14.147 10.025 -7.507
28 H ASN 5 H ASN 5 -13.335 6.874 -6.066
29 HA ASN 5 HA ASN 5 -12.767 5.718 -8.624
30 1HB ASN 5 2HB ASN 5 -10.519 6.582 -6.834
31 2HB ASN 5 1HB ASN 5 -10.336 5.161 -7.858
32 1HD2 ASN 5 1HD2 ASN 5 -11.492 5.783 -10.151
33 2HD2 ASN 5 2HD2 ASN 5 -10.763 7.169 -10.880
34 H GLY 6 H GLY 6 -11.596 5.265 -5.273
35 1HA GLY 6 2HA GLY 6 -13.301 3.005 -4.829
36 2HA GLY 6 1HA GLY 6 -11.652 2.514 -5.190
37 H VAL 7 H VAL 7 -10.053 4.147 -3.898
38 HA VAL 7 HA VAL 7 -9.141 4.662 -1.886
39 HB VAL 7 HB VAL 7 -11.966 4.914 -0.855
40 1HG1 VAL 7 1HG1 VAL 7 -9.978 4.873 0.743
41 2HG1 VAL 7 2HG1 VAL 7 -11.079 6.246 0.861
42 3HG1 VAL 7 3HG1 VAL 7 -9.530 6.424 0.038
43 1HG2 VAL 7 1HG2 VAL 7 -11.344 6.234 -2.990
44 2HG2 VAL 7 2HG2 VAL 7 -10.341 7.199 -1.908
45 3HG2 VAL 7 3HG2 VAL 7 -12.081 7.097 -1.641
46 H SER 8 H SER 8 -12.095 2.842 -0.977
47 HA SER 8 HA SER 8 -12.386 1.090 0.467
48 1HB SER 8 2HB SER 8 -10.201 -0.570 0.001
49 2HB SER 8 1HB SER 8 -11.726 -0.583 -0.883
50 HG SER 8 HG SER 8 -9.255 0.226 -1.693
51 H CYS 9 H CYS 9 -12.109 2.078 2.459
52 HA CYS 9 HA CYS 9 -11.174 2.540 4.478
53 1HB CYS 9 2HB CYS 9 -9.181 0.344 3.962
54 2HB CYS 9 1HB CYS 9 -9.936 0.811 5.482
55 H SER 10 H SER 10 -10.339 4.567 3.974
56 HA SER 10 HA SER 10 -7.670 4.817 2.911
57 1HB SER 10 2HB SER 10 -9.663 6.455 2.583
58 2HB SER 10 1HB SER 10 -9.208 7.073 4.171
59 HG SER 10 HG SER 10 -8.198 7.870 1.985
60 H LYS 11 H LYS 11 -6.825 3.421 4.674
61 HA LYS 11 HA LYS 11 -5.637 3.102 6.580
62 1HB LYS 11 2HB LYS 11 -4.667 5.350 5.488
63 2HB LYS 11 1HB LYS 11 -5.224 6.006 7.019
64 1HG LYS 11 2HG LYS 11 -3.674 3.525 7.235
65 2HG LYS 11 1HG LYS 11 -2.786 4.909 6.596
66 1HD LYS 11 2HD LYS 11 -4.220 5.943 8.738
67 2HD LYS 11 1HD LYS 11 -3.674 4.362 9.303
68 1HE LYS 11 2HE LYS 11 -1.384 4.921 8.756
69 2HE LYS 11 1HE LYS 11 -1.895 6.464 8.069
70 1HZ LYS 11 1HZ LYS 11 -2.868 6.846 10.417
71 2HZ LYS 11 2HZ LYS 11 -1.208 7.054 10.169
72 3HZ LYS 11 3HZ LYS 11 -1.781 5.637 10.891
73 H THR 12 H THR 12 -8.380 3.202 6.978
74 HA THR 12 HA THR 12 -8.812 4.810 9.355
75 HB THR 12 HB THR 12 -10.704 2.894 7.960
76 HG1 THR 12 1HG THR 12 -10.608 5.719 7.825
77 1HG2 THR 12 1HG2 THR 12 -12.204 3.295 9.533
78 2HG2 THR 12 2HG2 THR 12 -11.995 5.034 9.331
79 3HG2 THR 12 3HG2 THR 12 -10.970 4.148 10.459
80 H LYS 13 H LYS 13 -9.926 1.477 8.866
81 HA LYS 13 HA LYS 13 -8.121 0.449 10.849
82 1HB LYS 13 2HB LYS 13 -9.996 -0.329 12.348
83 2HB LYS 13 1HB LYS 13 -9.658 1.397 12.387
84 1HG LYS 13 2HG LYS 13 -11.626 1.949 11.362
85 2HG LYS 13 1HG LYS 13 -11.739 0.405 10.515
86 1HD LYS 13 2HD LYS 13 -12.057 -0.606 12.865
87 2HD LYS 13 1HD LYS 13 -12.426 1.047 13.360
88 1HE LYS 13 2HE LYS 13 -14.415 1.058 12.298
89 2HE LYS 13 1HE LYS 13 -13.809 0.115 10.935
90 1HZ LYS 13 1HZ LYS 13 -15.491 -1.055 12.289
91 2HZ LYS 13 2HZ LYS 13 -14.430 -1.020 13.605
92 3HZ LYS 13 3HZ LYS 13 -14.015 -1.882 12.211
93 H CYS 14 H CYS 14 -8.640 -0.228 8.137
94 HA CYS 14 HA CYS 14 -10.213 -2.669 8.215
95 1HB CYS 14 2HB CYS 14 -9.056 -0.967 6.082
96 2HB CYS 14 1HB CYS 14 -9.235 -2.683 5.715
97 H SER 15 H SER 15 -9.316 -4.678 7.211
98 HA SER 15 HA SER 15 -6.511 -5.104 8.059
99 1HB SER 15 2HB SER 15 -8.808 -7.066 8.144
100 2HB SER 15 1HB SER 15 -7.149 -7.391 8.639
101 HG SER 15 HG SER 15 -7.495 -6.372 10.461
102 H VAL 16 H VAL 16 -8.615 -5.241 5.420
103 HA VAL 16 HA VAL 16 -6.581 -6.290 3.713
104 HB VAL 16 HB VAL 16 -7.480 -8.427 4.569
105 1HG1 VAL 16 1HG1 VAL 16 -9.667 -8.997 4.601
106 2HG1 VAL 16 2HG1 VAL 16 -10.043 -8.079 3.143
107 3HG1 VAL 16 3HG1 VAL 16 -9.875 -7.249 4.691
108 1HG2 VAL 16 1HG2 VAL 16 -8.238 -9.328 2.258
109 2HG2 VAL 16 2HG2 VAL 16 -6.607 -8.680 2.426
110 3HG2 VAL 16 3HG2 VAL 16 -7.873 -7.700 1.685
111 H ASN 17 H ASN 17 -6.737 -4.603 2.438
112 HA ASN 17 HA ASN 17 -9.213 -4.220 0.902
113 1HB ASN 17 2HB ASN 17 -8.637 -1.730 0.956
114 2HB ASN 17 1HB ASN 17 -9.292 -2.413 2.441
115 1HD2 ASN 17 1HD2 ASN 17 -7.397 -0.128 1.704
116 2HD2 ASN 17 2HD2 ASN 17 -6.083 -0.325 2.807
117 H TRP 18 H TRP 18 -8.891 -3.826 -1.266
118 HA TRP 18 HA TRP 18 -6.609 -4.711 -2.511
119 1HB TRP 18 2HB TRP 18 -8.991 -3.197 -3.335
120 2HB TRP 18 1HB TRP 18 -7.583 -2.886 -4.347
121 HD1 TRP 18 HD TRP 18 -6.283 -5.686 -4.559
122 HE1 TRP 18 1HE TRP 18 -7.479 -7.647 -5.713
123 HE3 TRP 18 3HE TRP 18 -11.096 -3.968 -4.313
124 HZ2 TRP 18 2HZ TRP 18 -10.106 -8.371 -6.431
125 HZ3 TRP 18 3HZ TRP 18 -12.890 -5.357 -5.267
126 HH2 TRP 18 HH TRP 18 -12.403 -7.512 -6.305
127 H GLY 19 H GLY 19 -7.267 -1.553 -1.181
128 1HA GLY 19 2HA GLY 19 -5.301 -0.072 -2.562
129 2HA GLY 19 1HA GLY 19 -5.989 0.351 -1.001
130 H GLN 20 H GLN 20 -5.137 -1.160 0.841
131 HA GLN 20 HA GLN 20 -2.331 -0.705 0.978
132 1HB GLN 20 2HB GLN 20 -4.297 -2.058 2.808
133 2HB GLN 20 1HB GLN 20 -2.575 -2.016 3.171
134 1HG GLN 20 2HG GLN 20 -4.017 0.515 2.534
135 2HG GLN 20 1HG GLN 20 -4.156 -0.199 4.142
136 1HE2 GLN 20 1HE2 GLN 20 -3.100 1.596 5.043
137 2HE2 GLN 20 2HE2 GLN 20 -1.392 1.808 4.899
138 H ALA 21 H ALA 21 -4.289 -3.535 0.306
139 HA ALA 21 HA ALA 21 -2.387 -5.544 0.689
140 1HB ALA 21 1HB ALA 21 -4.811 -5.896 0.239
141 2HB ALA 21 2HB ALA 21 -3.750 -6.911 -0.738
142 3HB ALA 21 3HB ALA 21 -4.510 -5.488 -1.451
143 H PHE 22 H PHE 22 -3.351 -4.295 -2.501
144 HA PHE 22 HA PHE 22 -1.200 -5.353 -3.885
145 1HB PHE 22 2HB PHE 22 -3.237 -4.298 -4.939
146 2HB PHE 22 1HB PHE 22 -2.510 -2.723 -4.613
147 HD1 PHE 22 1HD PHE 22 -1.189 -5.955 -5.932
148 HD2 PHE 22 2HD PHE 22 -1.700 -1.782 -6.486
149 HE1 PHE 22 1HE PHE 22 0.171 -6.063 -7.961
150 HE2 PHE 22 2HE PHE 22 -0.358 -1.877 -8.518
151 HZ PHE 22 HZ PHE 22 0.585 -4.020 -9.281
152 H GLN 23 H GLN 23 -1.357 -2.268 -2.111
153 HA GLN 23 HA GLN 23 1.095 -1.315 -3.265
154 1HB GLN 23 2HB GLN 23 -0.887 -0.290 -1.371
155 2HB GLN 23 1HB GLN 23 0.752 0.073 -0.863
156 1HG GLN 23 2HG GLN 23 1.070 0.885 -3.295
157 2HG GLN 23 1HG GLN 23 -0.693 0.953 -3.321
158 1HE2 GLN 23 1HE2 GLN 23 -1.165 1.784 -0.706
159 2HE2 GLN 23 2HE2 GLN 23 -0.565 3.393 -0.516
160 H GLU 24 H GLU 24 0.190 -2.943 -0.273
161 HA GLU 24 HA GLU 24 2.740 -2.755 0.954
162 1HB GLU 24 2HB GLU 24 0.532 -3.284 2.100
163 2HB GLU 24 1HB GLU 24 0.677 -4.907 1.437
164 1HG GLU 24 2HG GLU 24 1.552 -5.188 3.534
165 2HG GLU 24 1HG GLU 24 3.006 -4.878 2.585
166 H ARG 25 H ARG 25 1.285 -4.837 -1.377
167 HA ARG 25 HA ARG 25 3.257 -6.913 -1.230
168 1HB ARG 25 2HB ARG 25 0.678 -6.741 -2.140
169 2HB ARG 25 1HB ARG 25 1.583 -6.701 -3.647
170 1HG ARG 25 2HG ARG 25 2.827 -8.746 -2.683
171 2HG ARG 25 1HG ARG 25 1.456 -8.849 -1.578
172 1HD ARG 25 2HD ARG 25 -0.059 -9.256 -3.302
173 2HD ARG 25 1HD ARG 25 1.031 -8.629 -4.535
174 HE ARG 25 HE ARG 25 0.997 -11.300 -3.430
175 1HH1 ARG 25 1HH1 ARG 25 2.830 -8.921 -5.210
176 2HH1 ARG 25 2HH1 ARG 25 3.855 -10.094 -5.965
177 1HH2 ARG 25 1HH2 ARG 25 2.346 -12.844 -4.425
178 2HH2 ARG 25 2HH2 ARG 25 3.581 -12.319 -5.520
179 H TYR 26 H TYR 26 2.361 -4.492 -3.697
180 HA TYR 26 HA TYR 26 4.678 -5.052 -5.292
181 1HB TYR 26 2HB TYR 26 3.628 -3.876 -6.886
182 2HB TYR 26 1HB TYR 26 2.258 -4.067 -5.812
183 HD1 TYR 26 1HD TYR 26 4.887 -1.653 -6.845
184 HD2 TYR 26 2HD TYR 26 1.202 -2.234 -4.915
185 HE1 TYR 26 1HE TYR 26 4.479 0.760 -6.865
186 HE2 TYR 26 2HE TYR 26 0.731 0.144 -4.966
187 HH TYR 26 HH TYR 26 2.018 2.251 -5.086
188 H THR 27 H THR 27 3.705 -2.113 -3.473
189 HA THR 27 HA THR 27 6.036 -0.677 -3.939
190 HB THR 27 HB THR 27 4.605 -0.508 -1.303
191 HG1 THR 27 1HG THR 27 2.816 -0.121 -2.287
192 1HG2 THR 27 1HG2 THR 27 4.784 2.013 -2.299
193 2HG2 THR 27 2HG2 THR 27 6.269 1.276 -2.910
194 3HG2 THR 27 3HG2 THR 27 5.931 1.279 -1.179
195 H ALA 28 H ALA 28 5.404 -3.249 -1.665
196 HA ALA 28 HA ALA 28 7.717 -2.894 -0.073
197 1HB ALA 28 1HB ALA 28 7.338 -5.314 0.538
198 2HB ALA 28 2HB ALA 28 5.978 -5.297 -0.583
199 3HB ALA 28 3HB ALA 28 5.975 -4.232 0.822
200 H GLY 29 H GLY 29 7.064 -5.080 -2.814
201 1HA GLY 29 2HA GLY 29 9.686 -6.170 -2.879
202 2HA GLY 29 1HA GLY 29 8.491 -6.280 -4.160
203 H ILE 30 H ILE 30 8.149 -3.538 -4.692
204 HA ILE 30 HA ILE 30 10.371 -3.101 -6.417
205 HB ILE 30 HB ILE 30 8.058 -2.387 -6.961
206 1HG1 ILE 30 2HG1 ILE 30 8.675 -0.185 -7.917
207 2HG1 ILE 30 1HG1 ILE 30 10.118 -0.169 -6.909
208 1HG2 ILE 30 1HG2 ILE 30 8.451 -0.044 -5.139
209 2HG2 ILE 30 2HG2 ILE 30 7.674 -1.524 -4.580
210 3HG2 ILE 30 3HG2 ILE 30 6.973 -0.612 -5.917
211 1HD1 ILE 30 1HD1 ILE 30 10.312 -0.891 -9.368
212 2HD1 ILE 30 2HD1 ILE 30 9.618 -2.416 -8.814
213 3HD1 ILE 30 3HD1 ILE 30 11.142 -1.842 -8.136
214 H ASN 31 H ASN 31 9.269 -1.571 -3.405
215 HA ASN 31 HA ASN 31 11.217 0.461 -3.335
216 1HB ASN 31 2HB ASN 31 9.165 0.403 -1.889
217 2HB ASN 31 1HB ASN 31 9.926 -0.875 -0.938
218 1HD2 ASN 31 1HD2 ASN 31 9.154 2.124 -0.630
219 2HD2 ASN 31 2HD2 ASN 31 10.522 2.776 0.198
220 H SER 32 H SER 32 11.182 -2.829 -2.008
221 HA SER 32 HA SER 32 13.614 -2.694 -0.637
222 1HB SER 32 2HB SER 32 11.939 -4.914 -1.730
223 2HB SER 32 1HB SER 32 13.596 -5.291 -1.257
224 HG SER 32 HG SER 32 13.138 -4.815 0.799
225 H PHE 33 H PHE 33 12.908 -3.382 -4.015
226 HA PHE 33 HA PHE 33 15.432 -4.302 -4.806
227 1HB PHE 33 2HB PHE 33 14.114 -4.565 -6.623
228 2HB PHE 33 1HB PHE 33 13.022 -3.287 -6.113
229 HD1 PHE 33 1HD PHE 33 13.286 -1.030 -6.906
230 HD2 PHE 33 2HD PHE 33 16.031 -4.065 -8.052
231 HE1 PHE 33 1HE PHE 33 14.171 0.447 -8.653
232 HE2 PHE 33 2HE PHE 33 16.922 -2.597 -9.812
233 HZ PHE 33 HZ PHE 33 15.993 -0.335 -10.115
234 H VAL 34 H VAL 34 14.176 -1.055 -4.340
235 HA VAL 34 HA VAL 34 16.368 0.283 -5.577
236 HB VAL 34 HB VAL 34 14.618 1.541 -3.493
237 1HG1 VAL 34 1HG1 VAL 34 14.841 3.421 -5.250
238 2HG1 VAL 34 2HG1 VAL 34 16.185 2.461 -5.868
239 3HG1 VAL 34 3HG1 VAL 34 16.214 3.056 -4.208
240 1HG2 VAL 34 1HG2 VAL 34 13.149 2.100 -5.561
241 2HG2 VAL 34 2HG2 VAL 34 12.953 0.543 -4.756
242 3HG2 VAL 34 3HG2 VAL 34 13.879 0.652 -6.251
243 H SER 35 H SER 35 15.417 0.162 -2.165
244 HA SER 35 HA SER 35 17.629 1.317 -1.050
245 1HB SER 35 2HB SER 35 15.992 -0.988 0.012
246 2HB SER 35 1HB SER 35 17.171 -0.094 0.971
247 HG SER 35 HG SER 35 14.872 0.989 -0.293
248 H GLY 36 H GLY 36 17.199 -2.200 -1.484
249 1HA GLY 36 2HA GLY 36 19.751 -2.978 -0.670
250 2HA GLY 36 1HA GLY 36 18.738 -3.885 -1.782
251 H VAL 37 H VAL 37 18.592 -2.360 -3.972
252 HA VAL 37 HA VAL 37 21.080 -2.780 -5.231
253 HB VAL 37 HB VAL 37 18.625 -1.244 -6.095
254 1HG1 VAL 37 1HG1 VAL 37 21.083 -1.867 -7.724
255 2HG1 VAL 37 2HG1 VAL 37 20.497 -0.267 -7.269
256 3HG1 VAL 37 3HG1 VAL 37 19.556 -1.269 -8.372
257 1HG2 VAL 37 1HG2 VAL 37 18.039 -3.143 -7.321
258 2HG2 VAL 37 2HG2 VAL 37 18.642 -3.791 -5.798
259 3HG2 VAL 37 3HG2 VAL 37 19.666 -3.816 -7.233
260 H ALA 38 H ALA 38 19.735 -0.075 -3.513
261 HA ALA 38 HA ALA 38 21.557 1.874 -4.616
262 1HB ALA 38 1HB ALA 38 19.568 1.919 -2.369
263 2HB ALA 38 2HB ALA 38 19.511 2.769 -3.913
264 3HB ALA 38 3HB ALA 38 20.661 3.270 -2.673
265 H SER 39 H SER 39 21.587 -0.395 -2.005
266 HA SER 39 HA SER 39 23.621 0.925 -0.473
267 1HB SER 39 2HB SER 39 21.825 -1.024 0.110
268 2HB SER 39 1HB SER 39 23.277 -1.993 -0.135
269 HG SER 39 HG SER 39 22.611 -0.495 1.970
270 H GLY 40 H GLY 40 23.573 -1.895 -2.644
271 1HA GLY 40 2HA GLY 40 26.486 -2.039 -2.549
272 2HA GLY 40 1HA GLY 40 25.413 -3.177 -3.343
273 H ALA 41 H ALA 41 23.982 -0.953 -4.734
274 HA ALA 41 HA ALA 41 24.089 0.196 -6.719
275 1HB ALA 41 1HB ALA 41 25.911 1.528 -7.174
276 2HB ALA 41 2HB ALA 41 27.053 0.392 -6.455
277 3HB ALA 41 3HB ALA 41 25.981 1.340 -5.422
278 H GLY 42 H GLY 42 23.556 -1.934 -7.536
279 1HA GLY 42 2HA GLY 42 25.714 -3.141 -9.180
280 2HA GLY 42 1HA GLY 42 24.314 -4.015 -8.581
281 H SER 43 H SER 43 24.281 -0.801 -10.052
282 HA SER 43 HA SER 43 22.556 -1.899 -12.177
283 1HB SER 43 2HB SER 43 21.805 0.490 -12.448
284 2HB SER 43 1HB SER 43 21.409 -0.230 -10.888
285 HG SER 43 HG SER 43 22.325 1.917 -10.778
286 H ILE 44 H ILE 44 25.683 -1.370 -11.881
287 HA ILE 44 HA ILE 44 25.973 -0.195 -14.578
288 HB ILE 44 HB ILE 44 28.231 0.579 -13.860
289 1HG1 ILE 44 2HG1 ILE 44 27.386 0.476 -11.016
290 2HG1 ILE 44 1HG1 ILE 44 27.938 -1.038 -11.727
291 1HG2 ILE 44 1HG2 ILE 44 27.448 2.605 -13.029
292 2HG2 ILE 44 2HG2 ILE 44 26.137 1.841 -12.131
293 3HG2 ILE 44 3HG2 ILE 44 26.056 1.948 -13.889
294 1HD1 ILE 44 1HD1 ILE 44 29.894 0.625 -12.545
295 2HD1 ILE 44 2HD1 ILE 44 29.947 -0.311 -11.050
296 3HD1 ILE 44 3HD1 ILE 44 29.442 1.379 -11.016
297 H GLY 45 H GLY 45 26.471 -2.922 -12.650
298 1HA GLY 45 2HA GLY 45 27.240 -4.988 -13.461
299 2HA GLY 45 1HA GLY 45 28.014 -4.148 -14.798
300 H ARG 46 H ARG 46 29.238 -2.193 -12.901
301 HA ARG 46 HA ARG 46 31.179 -1.925 -11.721
302 1HB ARG 46 2HB ARG 46 29.902 -3.918 -10.385
303 2HB ARG 46 1HB ARG 46 31.386 -4.741 -10.841
304 1HG ARG 46 2HG ARG 46 32.435 -2.480 -9.884
305 2HG ARG 46 1HG ARG 46 30.947 -2.529 -8.936
306 1HD ARG 46 2HD ARG 46 31.549 -4.443 -7.836
307 2HD ARG 46 1HD ARG 46 32.550 -5.020 -9.167
308 HE ARG 46 HE ARG 46 33.569 -2.674 -7.838
309 1HH1 ARG 46 1HH1 ARG 46 33.521 -6.164 -7.894
310 2HH1 ARG 46 2HH1 ARG 46 35.028 -6.322 -7.056
311 1HH2 ARG 46 1HH2 ARG 46 35.551 -2.882 -6.736
312 2HH2 ARG 46 2HH2 ARG 46 36.180 -4.460 -6.399
313 H ARG 47 H ARG 47 33.024 -1.690 -12.777
314 HA ARG 47 HA ARG 47 34.459 -4.001 -13.787
315 1HB ARG 47 2HB ARG 47 33.484 -1.790 -15.596
316 2HB ARG 47 1HB ARG 47 34.858 -2.806 -16.005
317 1HG ARG 47 2HG ARG 47 33.505 -4.754 -16.088
318 2HG ARG 47 1HG ARG 47 32.132 -3.904 -15.387
319 1HD ARG 47 2HD ARG 47 33.326 -2.935 -17.946
320 2HD ARG 47 1HD ARG 47 32.240 -4.324 -17.959
321 HE ARG 47 HE ARG 47 31.137 -2.118 -16.526
322 1HH1 ARG 47 1HH1 ARG 47 31.672 -3.395 -19.730
323 2HH1 ARG 47 2HH1 ARG 47 30.342 -2.538 -20.431
324 1HH2 ARG 47 1HH2 ARG 47 29.382 -0.991 -17.447
325 2HH2 ARG 47 2HH2 ARG 47 29.041 -1.172 -19.135
326 HA PRO 48 HA PRO 48 37.883 -1.530 -12.495
327 1HB PRO 48 2HB PRO 48 39.911 -2.553 -13.941
328 2HB PRO 48 1HB PRO 48 39.122 -3.473 -12.655
329 1HG PRO 48 2HG PRO 48 38.704 -3.617 -15.617
330 2HG PRO 48 1HG PRO 48 38.842 -4.938 -14.442
331 1HD PRO 48 2HD PRO 48 36.454 -4.040 -15.401
332 2HD PRO 48 1HD PRO 48 36.648 -4.751 -13.784
Start of MODEL 3
1 H VAL 1 H VAL 1 -28.757 22.158 -6.672
2 HA VAL 1 HA VAL 1 -26.953 20.493 -7.045
3 HB VAL 1 HB VAL 1 -25.609 21.797 -8.585
4 1HG1 VAL 1 1HG1 VAL 1 -27.809 21.469 -9.425
5 2HG1 VAL 1 2HG1 VAL 1 -28.506 22.652 -8.292
6 3HG1 VAL 1 3HG1 VAL 1 -27.499 23.207 -9.651
7 1HG2 VAL 1 1HG2 VAL 1 -25.705 24.279 -8.558
8 2HG2 VAL 1 2HG2 VAL 1 -26.704 24.216 -7.086
9 3HG2 VAL 1 3HG2 VAL 1 -25.023 23.634 -7.045
10 H ASN 2 H ASN 2 -24.389 20.591 -7.123
11 HA ASN 2 HA ASN 2 -23.168 21.869 -4.878
12 1HB ASN 2 2HB ASN 2 -24.450 19.775 -4.013
13 2HB ASN 2 1HB ASN 2 -23.107 18.883 -4.720
14 1HD2 ASN 2 1HD2 ASN 2 -24.045 19.411 -1.906
15 2HD2 ASN 2 2HD2 ASN 2 -22.628 19.955 -1.079
16 H TYR 3 H TYR 3 -22.905 19.230 -7.221
17 HA TYR 3 HA TYR 3 -20.021 19.394 -7.339
18 1HB TYR 3 2HB TYR 3 -20.376 17.785 -9.296
19 2HB TYR 3 1HB TYR 3 -20.904 17.236 -7.710
20 HD1 TYR 3 1HD TYR 3 -23.158 16.656 -7.314
21 HD2 TYR 3 2HD TYR 3 -22.096 18.624 -10.927
22 HE1 TYR 3 1HE TYR 3 -25.407 16.228 -8.204
23 HE2 TYR 3 2HE TYR 3 -24.341 18.204 -11.825
24 HH TYR 3 HH TYR 3 -26.382 16.008 -10.705
25 H GLY 4 H GLY 4 -22.751 20.519 -9.283
26 1HA GLY 4 2HA GLY 4 -22.870 21.937 -11.087
27 2HA GLY 4 1HA GLY 4 -21.446 22.694 -10.395
28 H ASN 5 H ASN 5 -22.403 19.906 -12.399
29 HA ASN 5 HA ASN 5 -21.443 18.963 -14.233
30 1HB ASN 5 2HB ASN 5 -21.381 21.604 -14.732
31 2HB ASN 5 1HB ASN 5 -19.650 21.281 -14.741
32 1HD2 ASN 5 1HD2 ASN 5 -19.275 19.009 -15.941
33 2HD2 ASN 5 2HD2 ASN 5 -19.954 18.973 -17.529
34 H GLY 6 H GLY 6 -20.276 18.446 -11.712
35 1HA GLY 6 2HA GLY 6 -17.515 17.838 -12.570
36 2HA GLY 6 1HA GLY 6 -17.813 18.532 -10.983
37 H VAL 7 H VAL 7 -19.868 16.163 -12.560
38 HA VAL 7 HA VAL 7 -19.511 14.373 -10.297
39 HB VAL 7 HB VAL 7 -21.781 14.790 -11.140
40 1HG1 VAL 7 1HG1 VAL 7 -20.706 14.712 -13.623
41 2HG1 VAL 7 2HG1 VAL 7 -22.430 14.579 -13.278
42 3HG1 VAL 7 3HG1 VAL 7 -21.468 13.123 -13.531
43 1HG2 VAL 7 1HG2 VAL 7 -20.767 12.436 -10.306
44 2HG2 VAL 7 2HG2 VAL 7 -21.454 11.958 -11.858
45 3HG2 VAL 7 3HG2 VAL 7 -22.477 12.709 -10.634
46 H SER 8 H SER 8 -17.815 13.048 -10.359
47 HA SER 8 HA SER 8 -17.442 11.339 -12.686
48 1HB SER 8 2HB SER 8 -15.909 12.998 -13.341
49 2HB SER 8 1HB SER 8 -15.349 13.269 -11.690
50 HG SER 8 HG SER 8 -14.900 10.969 -13.294
51 H CYS 9 H CYS 9 -17.712 9.442 -11.723
52 HA CYS 9 HA CYS 9 -15.812 8.590 -9.714
53 1HB CYS 9 2HB CYS 9 -17.508 9.555 -8.282
54 2HB CYS 9 1HB CYS 9 -18.786 8.710 -9.148
55 H SER 10 H SER 10 -15.080 6.876 -10.888
56 HA SER 10 HA SER 10 -16.806 4.611 -11.228
57 1HB SER 10 2HB SER 10 -15.739 5.976 -13.708
58 2HB SER 10 1HB SER 10 -16.558 4.415 -13.670
59 HG SER 10 HG SER 10 -17.976 6.143 -14.200
60 H LYS 11 H LYS 11 -15.285 3.504 -10.006
61 HA LYS 11 HA LYS 11 -13.557 2.044 -9.751
62 1HB LYS 11 2HB LYS 11 -13.715 2.253 -12.538
63 2HB LYS 11 1HB LYS 11 -12.023 2.521 -12.160
64 1HG LYS 11 2HG LYS 11 -12.615 0.151 -12.630
65 2HG LYS 11 1HG LYS 11 -11.849 0.413 -11.063
66 1HD LYS 11 2HD LYS 11 -13.747 -0.092 -9.897
67 2HD LYS 11 1HD LYS 11 -14.816 0.489 -11.175
68 1HE LYS 11 2HE LYS 11 -15.035 -1.894 -11.021
69 2HE LYS 11 1HE LYS 11 -14.197 -1.504 -12.522
70 1HZ LYS 11 1HZ LYS 11 -12.574 -2.060 -10.152
71 2HZ LYS 11 2HZ LYS 11 -12.257 -2.394 -11.779
72 3HZ LYS 11 3HZ LYS 11 -13.333 -3.369 -10.911
73 H THR 12 H THR 12 -13.419 5.204 -9.693
74 HA THR 12 HA THR 12 -10.713 5.231 -8.640
75 HB THR 12 HB THR 12 -10.615 7.580 -9.993
76 HG1 THR 12 1HG THR 12 -11.928 7.541 -11.603
77 1HG2 THR 12 1HG2 THR 12 -9.087 5.380 -9.979
78 2HG2 THR 12 2HG2 THR 12 -8.845 6.739 -11.080
79 3HG2 THR 12 3HG2 THR 12 -9.721 5.307 -11.623
80 H LYS 13 H LYS 13 -10.248 7.148 -7.399
81 HA LYS 13 HA LYS 13 -10.716 8.760 -5.880
82 1HB LYS 13 2HB LYS 13 -12.347 9.434 -8.029
83 2HB LYS 13 1HB LYS 13 -13.443 9.421 -6.654
84 1HG LYS 13 2HG LYS 13 -11.221 10.760 -5.710
85 2HG LYS 13 1HG LYS 13 -11.389 11.331 -7.370
86 1HD LYS 13 2HD LYS 13 -12.658 12.786 -5.959
87 2HD LYS 13 1HD LYS 13 -13.796 11.801 -6.881
88 1HE LYS 13 2HE LYS 13 -14.725 11.583 -4.814
89 2HE LYS 13 1HE LYS 13 -13.585 10.239 -4.747
90 1HZ LYS 13 1HZ LYS 13 -13.134 12.958 -3.642
91 2HZ LYS 13 2HZ LYS 13 -12.018 11.688 -3.598
92 3HZ LYS 13 3HZ LYS 13 -13.473 11.565 -2.745
93 H CYS 14 H CYS 14 -13.942 7.405 -6.518
94 HA CYS 14 HA CYS 14 -14.553 7.219 -3.748
95 1HB CYS 14 2HB CYS 14 -16.008 5.701 -5.896
96 2HB CYS 14 1HB CYS 14 -16.652 6.377 -4.404
97 H SER 15 H SER 15 -12.999 5.960 -2.751
98 HA SER 15 HA SER 15 -12.078 4.045 -1.938
99 1HB SER 15 2HB SER 15 -13.965 2.269 -3.385
100 2HB SER 15 1HB SER 15 -13.463 2.240 -1.695
101 HG SER 15 HG SER 15 -14.828 4.038 -1.341
102 H VAL 16 H VAL 16 -11.252 1.768 -2.744
103 HA VAL 16 HA VAL 16 -10.724 1.558 -5.539
104 HB VAL 16 HB VAL 16 -9.137 3.346 -4.971
105 1HG1 VAL 16 1HG1 VAL 16 -7.417 3.126 -3.404
106 2HG1 VAL 16 2HG1 VAL 16 -7.626 1.379 -3.281
107 3HG1 VAL 16 3HG1 VAL 16 -8.829 2.461 -2.580
108 1HG2 VAL 16 1HG2 VAL 16 -8.082 0.656 -5.776
109 2HG2 VAL 16 2HG2 VAL 16 -7.043 2.082 -5.741
110 3HG2 VAL 16 3HG2 VAL 16 -8.461 2.048 -6.791
111 H ASN 17 H ASN 17 -10.988 -0.542 -5.766
112 HA ASN 17 HA ASN 17 -10.482 -2.429 -3.698
113 1HB ASN 17 2HB ASN 17 -12.063 -2.472 -5.870
114 2HB ASN 17 1HB ASN 17 -10.689 -3.366 -6.512
115 1HD2 ASN 17 1HD2 ASN 17 -12.137 -5.167 -6.646
116 2HD2 ASN 17 2HD2 ASN 17 -12.466 -6.121 -5.244
117 H TRP 18 H TRP 18 -8.973 -4.137 -3.679
118 HA TRP 18 HA TRP 18 -6.819 -4.878 -3.607
119 1HB TRP 18 2HB TRP 18 -5.908 -5.566 -5.680
120 2HB TRP 18 1HB TRP 18 -7.648 -5.618 -5.906
121 HD1 TRP 18 HD TRP 18 -4.598 -3.452 -6.871
122 HE1 TRP 18 1HE TRP 18 -5.161 -2.177 -9.025
123 HE3 TRP 18 3HE TRP 18 -9.484 -4.850 -7.383
124 HZ2 TRP 18 2HZ TRP 18 -7.375 -1.814 -10.725
125 HZ3 TRP 18 3HZ TRP 18 -10.753 -3.997 -9.310
126 HH2 TRP 18 HH TRP 18 -9.719 -2.510 -10.946
127 H GLY 19 H GLY 19 -7.256 -1.992 -3.188
128 1HA GLY 19 2HA GLY 19 -4.850 -0.765 -4.294
129 2HA GLY 19 1HA GLY 19 -6.065 0.024 -3.300
130 H GLN 20 H GLN 20 -6.198 -1.618 -1.136
131 HA GLN 20 HA GLN 20 -3.938 -0.783 0.357
132 1HB GLN 20 2HB GLN 20 -6.207 -2.663 1.021
133 2HB GLN 20 1HB GLN 20 -4.986 -2.164 2.184
134 1HG GLN 20 2HG GLN 20 -6.772 -0.736 2.594
135 2HG GLN 20 1HG GLN 20 -5.674 0.230 1.608
136 1HE2 GLN 20 1HE2 GLN 20 -8.589 -1.742 1.508
137 2HE2 GLN 20 2HE2 GLN 20 -9.290 -0.965 0.134
138 H ALA 21 H ALA 21 -4.895 -3.873 -1.048
139 HA ALA 21 HA ALA 21 -2.778 -5.382 0.154
140 1HB ALA 21 1HB ALA 21 -4.396 -6.080 -2.291
141 2HB ALA 21 2HB ALA 21 -4.929 -6.355 -0.632
142 3HB ALA 21 3HB ALA 21 -3.501 -7.186 -1.248
143 H PHE 22 H PHE 22 -3.301 -4.217 -3.179
144 HA PHE 22 HA PHE 22 -0.912 -5.130 -4.256
145 1HB PHE 22 2HB PHE 22 -2.770 -4.123 -5.581
146 2HB PHE 22 1HB PHE 22 -2.263 -2.527 -5.015
147 HD1 PHE 22 1HD PHE 22 -1.212 -1.340 -6.610
148 HD2 PHE 22 2HD PHE 22 -0.509 -5.520 -6.388
149 HE1 PHE 22 1HE PHE 22 0.420 -1.152 -8.413
150 HE2 PHE 22 2HE PHE 22 1.130 -5.345 -8.194
151 HZ PHE 22 HZ PHE 22 1.595 -3.156 -9.230
152 H GLN 23 H GLN 23 -1.449 -2.273 -2.258
153 HA GLN 23 HA GLN 23 1.038 -1.049 -3.012
154 1HB GLN 23 2HB GLN 23 -1.198 -0.080 -1.812
155 2HB GLN 23 1HB GLN 23 -0.165 -0.302 -0.411
156 1HG GLN 23 2HG GLN 23 1.432 1.219 -1.210
157 2HG GLN 23 1HG GLN 23 0.763 1.194 -2.835
158 1HE2 GLN 23 1HE2 GLN 23 1.181 3.215 -0.484
159 2HE2 GLN 23 2HE2 GLN 23 -0.287 4.124 -0.519
160 H GLU 24 H GLU 24 -0.114 -2.948 -0.270
161 HA GLU 24 HA GLU 24 2.310 -2.879 1.200
162 1HB GLU 24 2HB GLU 24 -0.056 -3.536 1.993
163 2HB GLU 24 1HB GLU 24 0.298 -5.117 1.311
164 1HG GLU 24 2HG GLU 24 2.336 -5.175 2.771
165 2HG GLU 24 1HG GLU 24 1.721 -3.722 3.558
166 H ARG 25 H ARG 25 1.088 -4.796 -1.413
167 HA ARG 25 HA ARG 25 3.046 -6.870 -1.236
168 1HB ARG 25 2HB ARG 25 0.574 -6.600 -2.391
169 2HB ARG 25 1HB ARG 25 1.635 -6.466 -3.788
170 1HG ARG 25 2HG ARG 25 2.593 -8.588 -3.378
171 2HG ARG 25 1HG ARG 25 1.846 -8.690 -1.784
172 1HD ARG 25 2HD ARG 25 0.190 -9.824 -2.742
173 2HD ARG 25 1HD ARG 25 -0.284 -8.320 -3.529
174 HE ARG 25 HE ARG 25 1.083 -10.574 -4.731
175 1HH1 ARG 25 1HH1 ARG 25 0.196 -7.211 -5.032
176 2HH1 ARG 25 2HH1 ARG 25 0.366 -7.196 -6.755
177 1HH2 ARG 25 1HH2 ARG 25 1.304 -10.549 -6.996
178 2HH2 ARG 25 2HH2 ARG 25 0.991 -9.086 -7.868
179 H TYR 26 H TYR 26 2.411 -4.226 -3.533
180 HA TYR 26 HA TYR 26 4.819 -4.666 -5.007
181 1HB TYR 26 2HB TYR 26 3.890 -3.286 -6.512
182 2HB TYR 26 1HB TYR 26 2.458 -3.540 -5.532
183 HD1 TYR 26 1HD TYR 26 1.334 -1.759 -4.664
184 HD2 TYR 26 2HD TYR 26 5.278 -1.131 -5.995
185 HE1 TYR 26 1HE TYR 26 0.953 0.624 -4.463
186 HE2 TYR 26 2HE TYR 26 4.954 1.286 -5.749
187 HH TYR 26 HH TYR 26 2.236 2.652 -4.172
188 H THR 27 H THR 27 3.798 -1.919 -2.928
189 HA THR 27 HA THR 27 6.201 -0.533 -3.044
190 HB THR 27 HB THR 27 4.524 -0.606 -0.552
191 HG1 THR 27 1HG THR 27 3.732 1.232 -2.399
192 1HG2 THR 27 1HG2 THR 27 6.065 0.984 -0.111
193 2HG2 THR 27 2HG2 THR 27 4.936 1.978 -1.031
194 3HG2 THR 27 3HG2 THR 27 6.373 1.320 -1.814
195 H ALA 28 H ALA 28 5.378 -3.380 -1.229
196 HA ALA 28 HA ALA 28 7.542 -3.207 0.618
197 1HB ALA 28 1HB ALA 28 5.878 -5.558 -0.276
198 2HB ALA 28 2HB ALA 28 5.643 -4.573 1.168
199 3HB ALA 28 3HB ALA 28 7.060 -5.614 1.032
200 H GLY 29 H GLY 29 7.063 -5.127 -2.352
201 1HA GLY 29 2HA GLY 29 9.705 -6.200 -2.329
202 2HA GLY 29 1HA GLY 29 8.577 -6.248 -3.678
203 H ILE 30 H ILE 30 8.207 -3.529 -4.140
204 HA ILE 30 HA ILE 30 10.438 -2.955 -5.749
205 HB ILE 30 HB ILE 30 8.127 -2.121 -6.164
206 1HG1 ILE 30 2HG1 ILE 30 9.031 0.351 -6.633
207 2HG1 ILE 30 1HG1 ILE 30 10.568 -0.419 -6.249
208 1HG2 ILE 30 1HG2 ILE 30 8.715 0.084 -4.218
209 2HG2 ILE 30 2HG2 ILE 30 7.850 -1.374 -3.733
210 3HG2 ILE 30 3HG2 ILE 30 7.186 -0.332 -4.992
211 1HD1 ILE 30 1HD1 ILE 30 8.640 -1.236 -8.409
212 2HD1 ILE 30 2HD1 ILE 30 10.122 -2.099 -7.995
213 3HD1 ILE 30 3HD1 ILE 30 10.206 -0.452 -8.623
214 H ASN 31 H ASN 31 9.436 -1.608 -2.599
215 HA ASN 31 HA ASN 31 11.399 0.363 -2.406
216 1HB ASN 31 2HB ASN 31 9.435 0.067 -0.843
217 2HB ASN 31 1HB ASN 31 10.341 -1.237 -0.065
218 1HD2 ASN 31 1HD2 ASN 31 9.415 1.621 0.624
219 2HD2 ASN 31 2HD2 ASN 31 10.813 2.315 1.364
220 H SER 32 H SER 32 11.480 -3.013 -1.278
221 HA SER 32 HA SER 32 14.060 -2.941 -0.207
222 1HB SER 32 2HB SER 32 13.973 -5.315 -0.149
223 2HB SER 32 1HB SER 32 12.301 -4.781 0.041
224 HG SER 32 HG SER 32 12.296 -6.375 -1.489
225 H PHE 33 H PHE 33 12.967 -3.618 -3.494
226 HA PHE 33 HA PHE 33 15.388 -4.475 -4.586
227 1HB PHE 33 2HB PHE 33 14.013 -4.697 -6.342
228 2HB PHE 33 1HB PHE 33 12.790 -3.731 -5.535
229 HD1 PHE 33 1HD PHE 33 15.874 -3.365 -7.588
230 HD2 PHE 33 2HD PHE 33 12.094 -1.745 -6.516
231 HE1 PHE 33 1HE PHE 33 16.127 -1.634 -9.311
232 HE2 PHE 33 2HE PHE 33 12.347 -0.012 -8.225
233 HZ PHE 33 HZ PHE 33 14.362 0.045 -9.631
234 H VAL 34 H VAL 34 14.166 -1.239 -3.964
235 HA VAL 34 HA VAL 34 16.081 0.253 -5.396
236 HB VAL 34 HB VAL 34 14.835 1.204 -2.844
237 1HG1 VAL 34 1HG1 VAL 34 15.057 3.334 -3.742
238 2HG1 VAL 34 2HG1 VAL 34 15.225 2.726 -5.389
239 3HG1 VAL 34 3HG1 VAL 34 16.541 2.517 -4.233
240 1HG2 VAL 34 1HG2 VAL 34 13.025 1.997 -4.635
241 2HG2 VAL 34 2HG2 VAL 34 12.886 0.479 -3.750
242 3HG2 VAL 34 3HG2 VAL 34 13.519 0.485 -5.394
243 H SER 35 H SER 35 15.946 -0.332 -1.908
244 HA SER 35 HA SER 35 18.344 0.808 -1.206
245 1HB SER 35 2HB SER 35 17.348 -1.770 -0.007
246 2HB SER 35 1HB SER 35 18.306 -0.516 0.776
247 HG SER 35 HG SER 35 16.525 0.859 0.664
248 H GLY 36 H GLY 36 17.827 -2.543 -2.280
249 1HA GLY 36 2HA GLY 36 20.453 -3.457 -2.026
250 2HA GLY 36 1HA GLY 36 19.275 -4.086 -3.170
251 H VAL 37 H VAL 37 18.882 -1.883 -4.802
252 HA VAL 37 HA VAL 37 21.275 -1.988 -6.405
253 HB VAL 37 HB VAL 37 20.037 -0.613 -8.014
254 1HG1 VAL 37 1HG1 VAL 37 18.303 -2.828 -6.937
255 2HG1 VAL 37 2HG1 VAL 37 19.734 -3.070 -7.932
256 3HG1 VAL 37 3HG1 VAL 37 18.342 -2.212 -8.586
257 1HG2 VAL 37 1HG2 VAL 37 18.826 0.773 -6.353
258 2HG2 VAL 37 2HG2 VAL 37 17.781 -0.607 -6.010
259 3HG2 VAL 37 3HG2 VAL 37 17.777 0.124 -7.614
260 H ALA 38 H ALA 38 19.826 0.217 -4.147
261 HA ALA 38 HA ALA 38 21.179 2.572 -5.000
262 1HB ALA 38 1HB ALA 38 20.487 3.435 -2.759
263 2HB ALA 38 2HB ALA 38 19.835 1.834 -2.412
264 3HB ALA 38 3HB ALA 38 19.173 2.785 -3.739
265 H SER 39 H SER 39 22.085 -0.128 -3.017
266 HA SER 39 HA SER 39 24.084 1.035 -1.447
267 1HB SER 39 2HB SER 39 24.463 -1.734 -2.502
268 2HB SER 39 1HB SER 39 24.690 -1.115 -0.867
269 HG SER 39 HG SER 39 22.489 -2.222 -2.007
270 H GLY 40 H GLY 40 24.072 0.150 -4.814
271 1HA GLY 40 2HA GLY 40 26.933 0.916 -4.976
272 2HA GLY 40 1HA GLY 40 26.211 -0.318 -5.995
273 H ALA 41 H ALA 41 23.847 0.915 -6.744
274 HA ALA 41 HA ALA 41 24.033 3.558 -7.612
275 1HB ALA 41 1HB ALA 41 24.566 3.268 -9.984
276 2HB ALA 41 2HB ALA 41 24.950 1.573 -9.681
277 3HB ALA 41 3HB ALA 41 25.923 2.844 -8.943
278 H GLY 42 H GLY 42 21.905 3.264 -6.927
279 1HA GLY 42 2HA GLY 42 20.113 1.513 -8.357
280 2HA GLY 42 1HA GLY 42 19.678 2.638 -7.085
281 H SER 43 H SER 43 21.222 4.724 -8.836
282 HA SER 43 HA SER 43 18.895 5.806 -10.030
283 1HB SER 43 2HB SER 43 21.809 6.531 -10.086
284 2HB SER 43 1HB SER 43 20.674 7.349 -11.160
285 HG SER 43 HG SER 43 21.017 7.591 -8.450
286 H ILE 44 H ILE 44 21.918 5.127 -11.752
287 HA ILE 44 HA ILE 44 22.342 4.200 -13.780
288 HB ILE 44 HB ILE 44 19.599 2.982 -13.741
289 1HG1 ILE 44 2HG1 ILE 44 22.125 1.888 -12.477
290 2HG1 ILE 44 1HG1 ILE 44 20.751 2.542 -11.589
291 1HG2 ILE 44 1HG2 ILE 44 21.058 1.133 -14.880
292 2HG2 ILE 44 2HG2 ILE 44 22.151 2.480 -15.198
293 3HG2 ILE 44 3HG2 ILE 44 20.497 2.524 -15.806
294 1HD1 ILE 44 1HD1 ILE 44 21.158 -0.090 -12.271
295 2HD1 ILE 44 2HD1 ILE 44 19.968 0.464 -13.449
296 3HD1 ILE 44 3HD1 ILE 44 19.642 0.626 -11.723
297 H GLY 45 H GLY 45 20.460 6.684 -13.359
298 1HA GLY 45 2HA GLY 45 19.466 8.231 -14.727
299 2HA GLY 45 1HA GLY 45 20.482 7.562 -15.991
300 H ARG 46 H ARG 46 18.371 5.282 -14.576
301 HA ARG 46 HA ARG 46 16.535 5.578 -16.879
302 1HB ARG 46 2HB ARG 46 18.090 3.514 -16.713
303 2HB ARG 46 1HB ARG 46 16.993 2.977 -15.447
304 1HG ARG 46 2HG ARG 46 15.784 3.830 -18.011
305 2HG ARG 46 1HG ARG 46 16.678 2.308 -17.998
306 1HD ARG 46 2HD ARG 46 14.575 2.937 -15.949
307 2HD ARG 46 1HD ARG 46 14.173 2.213 -17.505
308 HE ARG 46 HE ARG 46 16.242 0.824 -16.066
309 1HH1 ARG 46 1HH1 ARG 46 12.798 1.148 -16.541
310 2HH1 ARG 46 2HH1 ARG 46 12.445 -0.455 -15.987
311 1HH2 ARG 46 1HH2 ARG 46 15.778 -1.283 -15.338
312 2HH2 ARG 46 2HH2 ARG 46 14.137 -1.835 -15.303
313 H ARG 47 H ARG 47 14.506 6.057 -16.405
314 HA ARG 47 HA ARG 47 13.198 4.939 -14.075
315 1HB ARG 47 2HB ARG 47 13.688 7.896 -14.381
316 2HB ARG 47 1HB ARG 47 12.373 7.262 -13.403
317 1HG ARG 47 2HG ARG 47 13.867 7.346 -11.743
318 2HG ARG 47 1HG ARG 47 14.462 5.837 -12.433
319 1HD ARG 47 2HD ARG 47 16.367 6.774 -13.137
320 2HD ARG 47 1HD ARG 47 15.548 8.226 -13.714
321 HE ARG 47 HE ARG 47 16.935 7.930 -11.265
322 1HH1 ARG 47 1HH1 ARG 47 14.099 9.432 -12.637
323 2HH1 ARG 47 2HH1 ARG 47 14.070 10.721 -11.482
324 1HH2 ARG 47 1HH2 ARG 47 16.898 9.625 -9.745
325 2HH2 ARG 47 2HH2 ARG 47 15.660 10.832 -9.841
326 HA PRO 48 HA PRO 48 10.312 5.189 -17.593
327 1HB PRO 48 2HB PRO 48 8.739 3.134 -16.785
328 2HB PRO 48 1HB PRO 48 10.264 2.886 -17.646
329 1HG PRO 48 2HG PRO 48 9.696 2.713 -14.712
330 2HG PRO 48 1HG PRO 48 10.670 1.634 -15.727
331 1HD PRO 48 2HD PRO 48 11.768 3.535 -14.136
332 2HD PRO 48 1HD PRO 48 12.500 3.033 -15.676
Start of MODEL 4
1 H VAL 1 H VAL 1 -11.494 1.219 -20.152
2 HA VAL 1 HA VAL 1 -12.196 -1.060 -20.852
3 HB VAL 1 HB VAL 1 -11.488 -0.813 -18.536
4 1HG1 VAL 1 1HG1 VAL 1 -14.373 0.044 -18.042
5 2HG1 VAL 1 2HG1 VAL 1 -13.158 -0.254 -16.775
6 3HG1 VAL 1 3HG1 VAL 1 -12.933 1.085 -17.926
7 1HG2 VAL 1 1HG2 VAL 1 -14.007 -2.429 -19.035
8 2HG2 VAL 1 2HG2 VAL 1 -12.321 -2.994 -18.964
9 3HG2 VAL 1 3HG2 VAL 1 -13.155 -2.493 -17.473
10 H ASN 2 H ASN 2 -14.430 -2.149 -19.260
11 HA ASN 2 HA ASN 2 -16.828 -1.005 -20.300
12 1HB ASN 2 2HB ASN 2 -15.712 -2.356 -22.225
13 2HB ASN 2 1HB ASN 2 -16.249 -3.766 -21.318
14 1HD2 ASN 2 1HD2 ASN 2 -18.122 -4.549 -21.915
15 2HD2 ASN 2 2HD2 ASN 2 -19.422 -3.662 -22.628
16 H TYR 3 H TYR 3 -15.610 -1.879 -17.798
17 HA TYR 3 HA TYR 3 -16.989 -4.256 -16.911
18 1HB TYR 3 2HB TYR 3 -15.661 -2.237 -15.114
19 2HB TYR 3 1HB TYR 3 -15.832 -3.972 -14.886
20 HD1 TYR 3 1HD TYR 3 -14.336 -5.535 -16.045
21 HD2 TYR 3 2HD TYR 3 -13.867 -1.332 -16.483
22 HE1 TYR 3 1HE TYR 3 -12.091 -5.887 -16.967
23 HE2 TYR 3 2HE TYR 3 -11.620 -1.678 -17.414
24 HH TYR 3 HH TYR 3 -10.474 -4.768 -18.346
25 H GLY 4 H GLY 4 -17.148 -0.781 -16.074
26 1HA GLY 4 2HA GLY 4 -19.110 0.470 -15.711
27 2HA GLY 4 1HA GLY 4 -20.023 -1.029 -15.631
28 H ASN 5 H ASN 5 -17.209 -1.116 -13.702
29 HA ASN 5 HA ASN 5 -18.329 0.127 -11.371
30 1HB ASN 5 2HB ASN 5 -19.405 -2.265 -11.769
31 2HB ASN 5 1HB ASN 5 -17.924 -2.796 -10.978
32 1HD2 ASN 5 1HD2 ASN 5 -20.553 -0.442 -10.625
33 2HD2 ASN 5 2HD2 ASN 5 -20.658 -0.563 -8.905
34 H GLY 6 H GLY 6 -15.917 0.395 -12.779
35 1HA GLY 6 2HA GLY 6 -13.917 0.925 -11.279
36 2HA GLY 6 1HA GLY 6 -13.939 -0.803 -10.941
37 H VAL 7 H VAL 7 -13.266 1.636 -13.343
38 HA VAL 7 HA VAL 7 -12.369 -0.319 -15.292
39 HB VAL 7 HB VAL 7 -11.759 1.682 -16.649
40 1HG1 VAL 7 1HG1 VAL 7 -14.524 2.289 -15.887
41 2HG1 VAL 7 2HG1 VAL 7 -14.206 0.591 -16.236
42 3HG1 VAL 7 3HG1 VAL 7 -13.851 1.825 -17.448
43 1HG2 VAL 7 1HG2 VAL 7 -11.496 3.062 -14.430
44 2HG2 VAL 7 2HG2 VAL 7 -13.209 3.404 -14.684
45 3HG2 VAL 7 3HG2 VAL 7 -12.028 3.851 -15.914
46 H SER 8 H SER 8 -11.032 1.737 -12.834
47 HA SER 8 HA SER 8 -8.289 1.309 -13.803
48 1HB SER 8 2HB SER 8 -9.604 3.199 -11.931
49 2HB SER 8 1HB SER 8 -7.944 2.739 -11.553
50 HG SER 8 HG SER 8 -7.328 3.454 -13.608
51 H CYS 9 H CYS 9 -8.571 -1.031 -13.362
52 HA CYS 9 HA CYS 9 -7.217 -1.793 -11.040
53 1HB CYS 9 2HB CYS 9 -10.135 -1.738 -10.793
54 2HB CYS 9 1HB CYS 9 -9.420 -3.287 -10.380
55 H SER 10 H SER 10 -6.251 -3.684 -11.409
56 HA SER 10 HA SER 10 -6.829 -5.060 -13.854
57 1HB SER 10 2HB SER 10 -4.725 -5.204 -11.758
58 2HB SER 10 1HB SER 10 -4.990 -6.654 -12.727
59 HG SER 10 HG SER 10 -3.503 -5.439 -13.817
60 H LYS 11 H LYS 11 -8.997 -5.673 -13.350
61 HA LYS 11 HA LYS 11 -10.656 -7.044 -12.628
62 1HB LYS 11 2HB LYS 11 -8.468 -9.104 -12.556
63 2HB LYS 11 1HB LYS 11 -10.179 -9.387 -12.843
64 1HG LYS 11 2HG LYS 11 -8.581 -7.638 -14.687
65 2HG LYS 11 1HG LYS 11 -8.560 -9.393 -14.855
66 1HD LYS 11 2HD LYS 11 -11.252 -8.390 -14.559
67 2HD LYS 11 1HD LYS 11 -10.422 -7.615 -15.910
68 1HE LYS 11 2HE LYS 11 -10.481 -10.596 -15.495
69 2HE LYS 11 1HE LYS 11 -11.676 -9.731 -16.462
70 1HZ LYS 11 1HZ LYS 11 -9.966 -8.998 -17.941
71 2HZ LYS 11 2HZ LYS 11 -9.829 -10.675 -17.774
72 3HZ LYS 11 3HZ LYS 11 -8.750 -9.655 -16.964
73 H THR 12 H THR 12 -8.882 -5.773 -10.481
74 HA THR 12 HA THR 12 -9.253 -7.659 -8.327
75 HB THR 12 HB THR 12 -8.052 -5.851 -6.966
76 HG1 THR 12 1HG THR 12 -8.447 -4.180 -8.493
77 1HG2 THR 12 1HG2 THR 12 -5.929 -6.559 -7.587
78 2HG2 THR 12 2HG2 THR 12 -6.385 -6.756 -9.283
79 3HG2 THR 12 3HG2 THR 12 -6.970 -7.894 -8.080
80 H LYS 13 H LYS 13 -10.759 -4.818 -9.521
81 HA LYS 13 HA LYS 13 -12.780 -3.884 -8.981
82 1HB LYS 13 2HB LYS 13 -12.869 -5.469 -6.424
83 2HB LYS 13 1HB LYS 13 -14.202 -4.724 -7.289
84 1HG LYS 13 2HG LYS 13 -13.201 -6.465 -9.149
85 2HG LYS 13 1HG LYS 13 -12.970 -7.341 -7.635
86 1HD LYS 13 2HD LYS 13 -15.219 -7.505 -7.227
87 2HD LYS 13 1HD LYS 13 -15.592 -6.005 -8.082
88 1HE LYS 13 2HE LYS 13 -16.356 -7.362 -9.699
89 2HE LYS 13 1HE LYS 13 -14.651 -7.565 -10.103
90 1HZ LYS 13 1HZ LYS 13 -14.648 -9.500 -8.554
91 2HZ LYS 13 2HZ LYS 13 -15.608 -9.710 -9.932
92 3HZ LYS 13 3HZ LYS 13 -16.331 -9.358 -8.444
93 H CYS 14 H CYS 14 -9.953 -3.729 -7.219
94 HA CYS 14 HA CYS 14 -9.019 -2.043 -5.986
95 1HB CYS 14 2HB CYS 14 -11.607 -0.557 -6.257
96 2HB CYS 14 1HB CYS 14 -9.999 0.130 -6.019
97 H SER 15 H SER 15 -12.463 -1.719 -5.113
98 HA SER 15 HA SER 15 -12.039 -1.408 -2.375
99 1HB SER 15 2HB SER 15 -14.526 -2.678 -3.508
100 2HB SER 15 1HB SER 15 -14.377 -1.618 -2.107
101 HG SER 15 HG SER 15 -14.517 -0.991 -4.802
102 H VAL 16 H VAL 16 -13.616 -3.212 -1.044
103 HA VAL 16 HA VAL 16 -13.760 -5.322 -0.190
104 HB VAL 16 HB VAL 16 -11.836 -6.315 -2.301
105 1HG1 VAL 16 1HG1 VAL 16 -13.976 -7.882 -0.920
106 2HG1 VAL 16 2HG1 VAL 16 -12.391 -7.652 -0.181
107 3HG1 VAL 16 3HG1 VAL 16 -12.526 -8.454 -1.743
108 1HG2 VAL 16 1HG2 VAL 16 -13.730 -6.926 -3.650
109 2HG2 VAL 16 2HG2 VAL 16 -13.812 -5.195 -3.322
110 3HG2 VAL 16 3HG2 VAL 16 -14.848 -6.311 -2.433
111 H ASN 17 H ASN 17 -10.432 -5.205 -1.443
112 HA ASN 17 HA ASN 17 -9.133 -4.373 0.840
113 1HB ASN 17 2HB ASN 17 -8.250 -6.668 1.628
114 2HB ASN 17 1HB ASN 17 -9.864 -6.193 2.145
115 1HD2 ASN 17 1HD2 ASN 17 -11.015 -7.981 2.257
116 2HD2 ASN 17 2HD2 ASN 17 -11.127 -9.193 1.031
117 H TRP 18 H TRP 18 -9.108 -6.541 -1.907
118 HA TRP 18 HA TRP 18 -6.551 -7.236 -2.326
119 1HB TRP 18 2HB TRP 18 -8.772 -7.188 -3.905
120 2HB TRP 18 1HB TRP 18 -7.755 -6.017 -4.742
121 HD1 TRP 18 HD TRP 18 -4.985 -7.218 -4.745
122 HE1 TRP 18 1HE TRP 18 -4.434 -9.485 -5.809
123 HE3 TRP 18 3HE TRP 18 -9.653 -9.263 -4.784
124 HZ2 TRP 18 2HZ TRP 18 -5.793 -11.823 -6.576
125 HZ3 TRP 18 3HZ TRP 18 -9.946 -11.519 -5.702
126 HH2 TRP 18 HH TRP 18 -8.053 -12.776 -6.580
127 H GLY 19 H GLY 19 -7.790 -3.939 -2.640
128 1HA GLY 19 2HA GLY 19 -5.534 -2.836 -3.967
129 2HA GLY 19 1HA GLY 19 -6.730 -1.936 -3.049
130 H GLN 20 H GLN 20 -6.370 -3.008 -0.516
131 HA GLN 20 HA GLN 20 -4.203 -1.492 0.423
132 1HB GLN 20 2HB GLN 20 -6.261 -2.106 1.718
133 2HB GLN 20 1HB GLN 20 -5.611 -3.732 1.888
134 1HG GLN 20 2HG GLN 20 -3.570 -2.594 2.940
135 2HG GLN 20 1HG GLN 20 -4.608 -1.175 3.076
136 1HE2 GLN 20 1HE2 GLN 20 -4.950 -4.670 3.615
137 2HE2 GLN 20 2HE2 GLN 20 -5.663 -4.533 5.182
138 H ALA 21 H ALA 21 -4.535 -4.937 -0.234
139 HA ALA 21 HA ALA 21 -2.065 -5.739 0.915
140 1HB ALA 21 1HB ALA 21 -4.164 -7.125 0.174
141 2HB ALA 21 2HB ALA 21 -2.553 -7.839 0.142
142 3HB ALA 21 3HB ALA 21 -3.283 -7.245 -1.349
143 H PHE 22 H PHE 22 -2.982 -5.112 -2.483
144 HA PHE 22 HA PHE 22 -0.572 -5.733 -3.636
145 1HB PHE 22 2HB PHE 22 -2.646 -5.092 -4.916
146 2HB PHE 22 1HB PHE 22 -2.274 -3.407 -4.559
147 HD1 PHE 22 1HD PHE 22 -0.125 -6.248 -5.624
148 HD2 PHE 22 2HD PHE 22 -1.607 -2.394 -6.485
149 HE1 PHE 22 1HE PHE 22 1.382 -6.090 -7.528
150 HE2 PHE 22 2HE PHE 22 -0.122 -2.240 -8.392
151 HZ PHE 22 HZ PHE 22 1.386 -4.082 -8.934
152 H GLN 23 H GLN 23 -1.496 -2.584 -2.192
153 HA GLN 23 HA GLN 23 0.799 -1.229 -3.095
154 1HB GLN 23 2HB GLN 23 -1.356 -0.213 -2.116
155 2HB GLN 23 1HB GLN 23 -0.663 -0.544 -0.538
156 1HG GLN 23 2HG GLN 23 1.264 0.835 -2.129
157 2HG GLN 23 1HG GLN 23 -0.268 1.702 -2.189
158 1HE2 GLN 23 1HE2 GLN 23 2.285 2.415 -0.917
159 2HE2 GLN 23 2HE2 GLN 23 1.918 2.694 0.749
160 H GLU 24 H GLU 24 0.144 -2.971 -0.088
161 HA GLU 24 HA GLU 24 2.637 -2.342 1.136
162 1HB GLU 24 2HB GLU 24 0.397 -3.265 2.164
163 2HB GLU 24 1HB GLU 24 1.105 -4.831 1.791
164 1HG GLU 24 2HG GLU 24 2.417 -2.720 3.483
165 2HG GLU 24 1HG GLU 24 1.507 -4.093 4.108
166 H ARG 25 H ARG 25 1.512 -4.788 -1.050
167 HA ARG 25 HA ARG 25 3.779 -6.518 -0.753
168 1HB ARG 25 2HB ARG 25 1.203 -6.757 -1.746
169 2HB ARG 25 1HB ARG 25 2.193 -6.807 -3.200
170 1HG ARG 25 2HG ARG 25 3.597 -8.547 -1.901
171 2HG ARG 25 1HG ARG 25 2.180 -8.670 -0.860
172 1HD ARG 25 2HD ARG 25 0.872 -9.584 -2.520
173 2HD ARG 25 1HD ARG 25 1.823 -8.861 -3.816
174 HE ARG 25 HE ARG 25 3.492 -10.670 -2.576
175 1HH1 ARG 25 1HH1 ARG 25 0.422 -10.790 -4.229
176 2HH1 ARG 25 2HH1 ARG 25 0.656 -12.404 -4.811
177 1HH2 ARG 25 1HH2 ARG 25 3.800 -12.798 -3.343
178 2HH2 ARG 25 2HH2 ARG 25 2.570 -13.545 -4.308
179 H TYR 26 H TYR 26 2.559 -4.440 -3.367
180 HA TYR 26 HA TYR 26 4.854 -4.780 -5.025
181 1HB TYR 26 2HB TYR 26 3.592 -3.755 -6.551
182 2HB TYR 26 1HB TYR 26 2.339 -4.024 -5.363
183 HD1 TYR 26 1HD TYR 26 0.957 -2.215 -4.811
184 HD2 TYR 26 2HD TYR 26 4.801 -1.381 -6.310
185 HE1 TYR 26 1HE TYR 26 0.320 0.073 -4.964
186 HE2 TYR 26 2HE TYR 26 4.202 0.991 -6.371
187 HH TYR 26 HH TYR 26 2.004 2.326 -6.629
188 H THR 27 H THR 27 3.703 -1.893 -3.225
189 HA THR 27 HA THR 27 5.904 -0.294 -3.805
190 HB THR 27 HB THR 27 4.516 -0.153 -1.146
191 HG1 THR 27 1HG THR 27 3.415 1.031 -3.436
192 1HG2 THR 27 1HG2 THR 27 4.526 2.332 -1.943
193 2HG2 THR 27 2HG2 THR 27 5.838 1.772 -2.985
194 3HG2 THR 27 3HG2 THR 27 5.969 1.606 -1.233
195 H ALA 28 H ALA 28 5.538 -2.821 -1.422
196 HA ALA 28 HA ALA 28 7.912 -2.160 0.014
197 1HB ALA 28 1HB ALA 28 7.670 -4.382 1.040
198 2HB ALA 28 2HB ALA 28 6.397 -4.771 -0.117
199 3HB ALA 28 3HB ALA 28 6.153 -3.485 1.064
200 H GLY 29 H GLY 29 7.167 -4.128 -2.787
201 1HA GLY 29 2HA GLY 29 9.796 -5.353 -2.871
202 2HA GLY 29 1HA GLY 29 8.521 -5.520 -4.067
203 H ILE 30 H ILE 30 8.072 -2.831 -4.699
204 HA ILE 30 HA ILE 30 10.164 -2.403 -6.572
205 HB ILE 30 HB ILE 30 7.828 -1.739 -6.999
206 1HG1 ILE 30 2HG1 ILE 30 8.433 0.696 -7.751
207 2HG1 ILE 30 1HG1 ILE 30 10.047 0.267 -7.194
208 1HG2 ILE 30 1HG2 ILE 30 8.101 0.746 -5.418
209 2HG2 ILE 30 2HG2 ILE 30 7.741 -0.737 -4.534
210 3HG2 ILE 30 3HG2 ILE 30 6.666 -0.194 -5.822
211 1HD1 ILE 30 1HD1 ILE 30 10.193 -1.512 -8.769
212 2HD1 ILE 30 2HD1 ILE 30 9.651 -0.070 -9.627
213 3HD1 ILE 30 3HD1 ILE 30 8.495 -1.334 -9.209
214 H ASN 31 H ASN 31 9.372 -0.982 -3.444
215 HA ASN 31 HA ASN 31 11.389 1.061 -3.634
216 1HB ASN 31 2HB ASN 31 9.205 1.008 -2.164
217 2HB ASN 31 1HB ASN 31 10.238 0.155 -1.014
218 1HD2 ASN 31 1HD2 ASN 31 9.011 2.689 -0.640
219 2HD2 ASN 31 2HD2 ASN 31 10.273 3.854 -0.442
220 H SER 32 H SER 32 11.089 -2.143 -2.201
221 HA SER 32 HA SER 32 13.542 -2.095 -0.793
222 1HB SER 32 2HB SER 32 11.803 -3.729 -0.236
223 2HB SER 32 1HB SER 32 11.956 -4.466 -1.836
224 HG SER 32 HG SER 32 13.197 -5.695 -0.542
225 H PHE 33 H PHE 33 12.703 -2.814 -4.099
226 HA PHE 33 HA PHE 33 15.008 -4.220 -4.867
227 1HB PHE 33 2HB PHE 33 13.703 -4.314 -6.694
228 2HB PHE 33 1HB PHE 33 12.754 -2.942 -6.152
229 HD1 PHE 33 1HD PHE 33 16.029 -3.687 -7.783
230 HD2 PHE 33 2HD PHE 33 12.731 -1.042 -7.442
231 HE1 PHE 33 1HE PHE 33 16.909 -2.337 -9.640
232 HE2 PHE 33 2HE PHE 33 13.608 0.313 -9.275
233 HZ PHE 33 HZ PHE 33 15.698 -0.329 -10.386
234 H VAL 34 H VAL 34 14.298 -0.776 -4.644
235 HA VAL 34 HA VAL 34 16.737 0.169 -5.768
236 HB VAL 34 HB VAL 34 15.181 1.675 -3.692
237 1HG1 VAL 34 1HG1 VAL 34 16.767 2.453 -6.129
238 2HG1 VAL 34 2HG1 VAL 34 17.178 2.738 -4.437
239 3HG1 VAL 34 3HG1 VAL 34 15.811 3.580 -5.165
240 1HG2 VAL 34 1HG2 VAL 34 13.344 1.178 -4.947
241 2HG2 VAL 34 2HG2 VAL 34 14.283 0.843 -6.394
242 3HG2 VAL 34 3HG2 VAL 34 13.969 2.508 -5.923
243 H SER 35 H SER 35 15.723 0.178 -2.368
244 HA SER 35 HA SER 35 18.198 0.853 -1.311
245 1HB SER 35 2HB SER 35 16.387 -1.036 0.152
246 2HB SER 35 1HB SER 35 17.345 0.300 0.787
247 HG SER 35 HG SER 35 15.198 0.924 0.735
248 H GLY 36 H GLY 36 16.927 -2.271 -2.293
249 1HA GLY 36 2HA GLY 36 18.923 -3.897 -1.121
250 2HA GLY 36 1HA GLY 36 17.936 -4.328 -2.513
251 H VAL 37 H VAL 37 18.661 -2.412 -4.336
252 HA VAL 37 HA VAL 37 21.222 -3.401 -5.197
253 HB VAL 37 HB VAL 37 20.909 -2.007 -7.173
254 1HG1 VAL 37 1HG1 VAL 37 19.493 -3.476 -8.062
255 2HG1 VAL 37 2HG1 VAL 37 18.164 -2.938 -7.038
256 3HG1 VAL 37 3HG1 VAL 37 19.313 -4.135 -6.436
257 1HG2 VAL 37 1HG2 VAL 37 19.103 -0.488 -7.461
258 2HG2 VAL 37 2HG2 VAL 37 19.886 -0.078 -5.936
259 3HG2 VAL 37 3HG2 VAL 37 18.367 -0.973 -5.935
260 H ALA 38 H ALA 38 19.979 -0.576 -3.595
261 HA ALA 38 HA ALA 38 22.311 1.049 -4.062
262 1HB ALA 38 1HB ALA 38 20.125 1.477 -2.037
263 2HB ALA 38 2HB ALA 38 20.005 1.947 -3.731
264 3HB ALA 38 3HB ALA 38 21.229 2.683 -2.698
265 H SER 39 H SER 39 21.346 -1.322 -1.750
266 HA SER 39 HA SER 39 23.177 -0.466 0.309
267 1HB SER 39 2HB SER 39 21.266 -1.602 1.117
268 2HB SER 39 1HB SER 39 21.453 -2.916 -0.044
269 HG SER 39 HG SER 39 22.266 -3.734 1.792
270 H GLY 40 H GLY 40 23.100 -3.052 -2.125
271 1HA GLY 40 2HA GLY 40 25.919 -3.063 -2.418
272 2HA GLY 40 1HA GLY 40 25.421 -4.405 -1.396
273 H ALA 41 H ALA 41 23.016 -5.089 -2.620
274 HA ALA 41 HA ALA 41 22.048 -6.053 -4.453
275 1HB ALA 41 1HB ALA 41 22.743 -5.651 -6.608
276 2HB ALA 41 2HB ALA 41 24.449 -5.593 -6.165
277 3HB ALA 41 3HB ALA 41 23.383 -4.250 -5.750
278 H GLY 42 H GLY 42 24.954 -6.952 -3.021
279 1HA GLY 42 2HA GLY 42 25.702 -9.100 -2.554
280 2HA GLY 42 1HA GLY 42 24.438 -9.729 -3.597
281 H SER 43 H SER 43 26.720 -7.333 -4.720
282 HA SER 43 HA SER 43 27.827 -9.346 -6.562
283 1HB SER 43 2HB SER 43 27.936 -6.329 -6.792
284 2HB SER 43 1HB SER 43 28.423 -7.499 -8.017
285 HG SER 43 HG SER 43 26.424 -7.632 -8.620
286 H ILE 44 H ILE 44 28.989 -6.339 -5.045
287 HA ILE 44 HA ILE 44 31.265 -7.697 -3.891
288 HB ILE 44 HB ILE 44 32.027 -7.285 -6.204
289 1HG1 ILE 44 2HG1 ILE 44 33.651 -5.315 -4.735
290 2HG1 ILE 44 1HG1 ILE 44 33.388 -6.831 -3.880
291 1HG2 ILE 44 1HG2 ILE 44 32.064 -5.237 -7.230
292 2HG2 ILE 44 2HG2 ILE 44 32.067 -4.349 -5.706
293 3HG2 ILE 44 3HG2 ILE 44 30.581 -5.104 -6.284
294 1HD1 ILE 44 1HD1 ILE 44 35.177 -7.532 -5.010
295 2HD1 ILE 44 2HD1 ILE 44 35.043 -6.247 -6.209
296 3HD1 ILE 44 3HD1 ILE 44 34.065 -7.705 -6.367
297 H GLY 45 H GLY 45 29.008 -6.213 -2.927
298 1HA GLY 45 2HA GLY 45 30.332 -3.815 -1.777
299 2HA GLY 45 1HA GLY 45 28.596 -3.979 -2.016
300 H ARG 46 H ARG 46 30.524 -6.626 -0.815
301 HA ARG 46 HA ARG 46 30.251 -6.109 1.932
302 1HB ARG 46 2HB ARG 46 27.822 -6.624 1.024
303 2HB ARG 46 1HB ARG 46 28.364 -8.287 1.177
304 1HG ARG 46 2HG ARG 46 27.813 -8.217 3.313
305 2HG ARG 46 1HG ARG 46 29.085 -7.021 3.569
306 1HD ARG 46 2HD ARG 46 26.497 -6.062 2.472
307 2HD ARG 46 1HD ARG 46 26.534 -6.546 4.167
308 HE ARG 46 HE ARG 46 28.674 -4.906 3.942
309 1HH1 ARG 46 1HH1 ARG 46 25.304 -4.569 3.105
310 2HH1 ARG 46 2HH1 ARG 46 25.284 -2.857 3.360
311 1HH2 ARG 46 1HH2 ARG 46 28.650 -2.654 4.276
312 2HH2 ARG 46 2HH2 ARG 46 27.182 -1.768 4.024
313 H ARG 47 H ARG 47 32.255 -7.045 0.219
314 HA ARG 47 HA ARG 47 33.754 -8.723 -0.154
315 1HB ARG 47 2HB ARG 47 34.486 -9.845 1.987
316 2HB ARG 47 1HB ARG 47 34.494 -8.089 2.008
317 1HG ARG 47 2HG ARG 47 32.457 -8.041 3.282
318 2HG ARG 47 1HG ARG 47 32.278 -9.789 3.138
319 1HD ARG 47 2HD ARG 47 34.547 -9.923 4.313
320 2HD ARG 47 1HD ARG 47 34.301 -8.223 4.706
321 HE ARG 47 HE ARG 47 32.700 -8.828 6.238
322 1HH1 ARG 47 1HH1 ARG 47 33.493 -11.581 4.248
323 2HH1 ARG 47 2HH1 ARG 47 32.624 -12.705 5.236
324 1HH2 ARG 47 1HH2 ARG 47 31.552 -10.308 7.542
325 2HH2 ARG 47 2HH2 ARG 47 31.522 -11.983 7.105
326 HA PRO 48 HA PRO 48 30.835 -12.228 -0.688
327 1HB PRO 48 2HB PRO 48 31.506 -12.800 -3.234
328 2HB PRO 48 1HB PRO 48 30.365 -11.509 -2.836
329 1HG PRO 48 2HG PRO 48 33.276 -11.324 -3.516
330 2HG PRO 48 1HG PRO 48 31.932 -10.308 -4.069
331 1HD PRO 48 2HD PRO 48 33.634 -9.576 -2.066
332 2HD PRO 48 1HD PRO 48 31.944 -9.037 -2.152
Start of MODEL 5
1 H VAL 1 H VAL 1 -9.942 -12.383 10.434
2 HA VAL 1 HA VAL 1 -10.195 -9.946 10.846
3 HB VAL 1 HB VAL 1 -11.580 -11.789 12.832
4 1HG1 VAL 1 1HG1 VAL 1 -12.967 -10.041 13.457
5 2HG1 VAL 1 2HG1 VAL 1 -11.453 -9.141 13.198
6 3HG1 VAL 1 3HG1 VAL 1 -12.709 -9.152 11.937
7 1HG2 VAL 1 1HG2 VAL 1 -13.054 -12.251 11.156
8 2HG2 VAL 1 2HG2 VAL 1 -13.019 -10.582 10.538
9 3HG2 VAL 1 3HG2 VAL 1 -11.734 -11.727 10.084
10 H ASN 2 H ASN 2 -10.642 -10.862 14.144
11 HA ASN 2 HA ASN 2 -9.648 -10.265 16.082
12 1HB ASN 2 2HB ASN 2 -7.507 -10.943 14.524
13 2HB ASN 2 1HB ASN 2 -7.106 -9.289 14.984
14 1HD2 ASN 2 1HD2 ASN 2 -6.571 -8.830 17.066
15 2HD2 ASN 2 2HD2 ASN 2 -6.348 -10.034 18.284
16 H TYR 3 H TYR 3 -8.162 -7.989 13.783
17 HA TYR 3 HA TYR 3 -8.770 -5.790 15.554
18 1HB TYR 3 2HB TYR 3 -7.591 -4.399 13.940
19 2HB TYR 3 1HB TYR 3 -6.663 -5.859 14.251
20 HD1 TYR 3 1HD TYR 3 -6.042 -7.290 12.485
21 HD2 TYR 3 2HD TYR 3 -8.935 -4.251 11.804
22 HE1 TYR 3 1HE TYR 3 -5.943 -7.742 10.070
23 HE2 TYR 3 2HE TYR 3 -8.847 -4.695 9.392
24 HH TYR 3 HH TYR 3 -8.229 -6.542 7.880
25 H GLY 4 H GLY 4 -9.565 -3.711 14.209
26 1HA GLY 4 2HA GLY 4 -11.205 -3.007 12.510
27 2HA GLY 4 1HA GLY 4 -12.072 -4.506 12.841
28 H ASN 5 H ASN 5 -10.792 -1.718 14.659
29 HA ASN 5 HA ASN 5 -13.384 -1.097 15.708
30 1HB ASN 5 2HB ASN 5 -11.770 -2.955 17.141
31 2HB ASN 5 1HB ASN 5 -11.808 -1.456 18.063
32 1HD2 ASN 5 1HD2 ASN 5 -13.239 -1.670 19.606
33 2HD2 ASN 5 2HD2 ASN 5 -14.835 -2.308 19.436
34 H GLY 6 H GLY 6 -9.871 -0.650 16.049
35 1HA GLY 6 2HA GLY 6 -10.183 2.214 15.822
36 2HA GLY 6 1HA GLY 6 -9.681 1.687 17.424
37 H VAL 7 H VAL 7 -8.805 0.777 14.081
38 HA VAL 7 HA VAL 7 -6.007 0.657 14.862
39 HB VAL 7 HB VAL 7 -5.646 -0.136 12.517
40 1HG1 VAL 7 1HG1 VAL 7 -7.488 -1.533 14.417
41 2HG1 VAL 7 2HG1 VAL 7 -5.792 -1.859 14.059
42 3HG1 VAL 7 3HG1 VAL 7 -7.039 -2.289 12.889
43 1HG2 VAL 7 1HG2 VAL 7 -8.563 -0.557 12.198
44 2HG2 VAL 7 2HG2 VAL 7 -7.311 -0.317 10.980
45 3HG2 VAL 7 3HG2 VAL 7 -7.937 1.061 11.885
46 H SER 8 H SER 8 -7.536 3.269 14.565
47 HA SER 8 HA SER 8 -7.117 5.388 13.835
48 1HB SER 8 2HB SER 8 -4.430 4.385 12.902
49 2HB SER 8 1HB SER 8 -4.857 6.016 13.419
50 HG SER 8 HG SER 8 -5.310 4.994 15.524
51 H CYS 9 H CYS 9 -8.592 5.521 12.163
52 HA CYS 9 HA CYS 9 -8.103 4.385 9.594
53 1HB CYS 9 2HB CYS 9 -10.272 5.774 10.896
54 2HB CYS 9 1HB CYS 9 -9.988 6.467 9.302
55 H SER 10 H SER 10 -7.258 5.264 7.782
56 HA SER 10 HA SER 10 -5.826 7.786 8.119
57 1HB SER 10 2HB SER 10 -5.529 6.143 5.652
58 2HB SER 10 1HB SER 10 -4.310 7.031 6.564
59 HG SER 10 HG SER 10 -4.695 5.344 8.232
60 H LYS 11 H LYS 11 -8.808 7.378 7.446
61 HA LYS 11 HA LYS 11 -8.978 9.591 5.645
62 1HB LYS 11 2HB LYS 11 -8.804 7.181 4.364
63 2HB LYS 11 1HB LYS 11 -10.543 7.371 4.522
64 1HG LYS 11 2HG LYS 11 -9.788 9.836 3.640
65 2HG LYS 11 1HG LYS 11 -8.635 8.782 2.819
66 1HD LYS 11 2HD LYS 11 -11.626 8.404 2.796
67 2HD LYS 11 1HD LYS 11 -10.702 9.183 1.508
68 1HE LYS 11 2HE LYS 11 -9.316 6.975 1.553
69 2HE LYS 11 1HE LYS 11 -10.742 6.315 2.352
70 1HZ LYS 11 1HZ LYS 11 -11.266 5.913 0.189
71 2HZ LYS 11 2HZ LYS 11 -10.418 7.253 -0.401
72 3HZ LYS 11 3HZ LYS 11 -11.929 7.464 0.330
73 H THR 12 H THR 12 -11.405 9.926 5.027
74 HA THR 12 HA THR 12 -12.864 9.788 7.530
75 HB THR 12 HB THR 12 -14.473 11.304 6.367
76 HG1 THR 12 1HG THR 12 -14.305 11.594 4.308
77 1HG2 THR 12 1HG2 THR 12 -11.715 11.937 6.989
78 2HG2 THR 12 2HG2 THR 12 -13.191 12.841 7.326
79 3HG2 THR 12 3HG2 THR 12 -12.395 13.006 5.762
80 H LYS 13 H LYS 13 -12.537 7.362 5.800
81 HA LYS 13 HA LYS 13 -15.260 6.474 5.974
82 1HB LYS 13 2HB LYS 13 -14.689 7.593 3.589
83 2HB LYS 13 1HB LYS 13 -14.154 5.951 3.282
84 1HG LYS 13 2HG LYS 13 -16.400 5.138 3.923
85 2HG LYS 13 1HG LYS 13 -16.915 6.813 4.140
86 1HD LYS 13 2HD LYS 13 -15.908 6.971 1.655
87 2HD LYS 13 1HD LYS 13 -16.408 5.281 1.658
88 1HE LYS 13 2HE LYS 13 -18.661 6.113 2.505
89 2HE LYS 13 1HE LYS 13 -18.103 7.730 2.076
90 1HZ LYS 13 1HZ LYS 13 -18.035 7.189 -0.176
91 2HZ LYS 13 2HZ LYS 13 -19.456 6.446 0.362
92 3HZ LYS 13 3HZ LYS 13 -18.063 5.520 0.111
93 H CYS 14 H CYS 14 -12.383 5.447 4.112
94 HA CYS 14 HA CYS 14 -11.023 3.626 4.346
95 1HB CYS 14 2HB CYS 14 -12.517 3.132 6.923
96 2HB CYS 14 1HB CYS 14 -11.018 2.338 6.442
97 H SER 15 H SER 15 -12.598 3.217 2.516
98 HA SER 15 HA SER 15 -14.104 0.742 3.045
99 1HB SER 15 2HB SER 15 -14.702 2.999 1.132
100 2HB SER 15 1HB SER 15 -15.509 1.436 1.088
101 HG SER 15 HG SER 15 -16.335 1.825 3.124
102 H VAL 16 H VAL 16 -11.401 1.938 1.606
103 HA VAL 16 HA VAL 16 -11.493 0.505 -0.843
104 HB VAL 16 HB VAL 16 -9.060 1.628 0.547
105 1HG1 VAL 16 1HG1 VAL 16 -7.850 1.239 -1.335
106 2HG1 VAL 16 2HG1 VAL 16 -9.248 1.377 -2.401
107 3HG1 VAL 16 3HG1 VAL 16 -8.990 -0.098 -1.468
108 1HG2 VAL 16 1HG2 VAL 16 -10.190 3.565 0.223
109 2HG2 VAL 16 2HG2 VAL 16 -11.202 2.894 -1.056
110 3HG2 VAL 16 3HG2 VAL 16 -9.546 3.386 -1.407
111 H ASN 17 H ASN 17 -9.675 0.049 2.165
112 HA ASN 17 HA ASN 17 -8.842 -1.790 3.183
113 1HB ASN 17 2HB ASN 17 -10.702 -3.408 1.439
114 2HB ASN 17 1HB ASN 17 -10.023 -3.867 2.997
115 1HD2 ASN 17 1HD2 ASN 17 -12.337 -4.268 3.413
116 2HD2 ASN 17 2HD2 ASN 17 -13.292 -2.958 4.011
117 H TRP 18 H TRP 18 -9.391 -2.914 -0.175
118 HA TRP 18 HA TRP 18 -7.040 -4.482 -0.169
119 1HB TRP 18 2HB TRP 18 -7.499 -4.969 -2.450
120 2HB TRP 18 1HB TRP 18 -9.057 -4.825 -1.649
121 HD1 TRP 18 HD TRP 18 -6.734 -2.712 -3.913
122 HE1 TRP 18 1HE TRP 18 -8.218 -1.174 -5.346
123 HE3 TRP 18 3HE TRP 18 -11.290 -3.889 -1.936
124 HZ2 TRP 18 2HZ TRP 18 -10.950 -0.548 -5.605
125 HZ3 TRP 18 3HZ TRP 18 -13.288 -2.775 -2.832
126 HH2 TRP 18 HH TRP 18 -13.119 -1.140 -4.628
127 H GLY 19 H GLY 19 -7.460 -1.124 -0.556
128 1HA GLY 19 2HA GLY 19 -5.521 -0.382 -2.383
129 2HA GLY 19 1HA GLY 19 -5.935 0.543 -0.952
130 H GLN 20 H GLN 20 -4.997 -0.738 1.134
131 HA GLN 20 HA GLN 20 -2.207 -0.376 0.985
132 1HB GLN 20 2HB GLN 20 -2.137 -1.208 3.275
133 2HB GLN 20 1HB GLN 20 -3.465 -0.075 3.064
134 1HG GLN 20 2HG GLN 20 -5.056 -1.865 2.993
135 2HG GLN 20 1HG GLN 20 -3.765 -3.068 3.015
136 1HE2 GLN 20 1HE2 GLN 20 -4.749 -3.978 4.876
137 2HE2 GLN 20 2HE2 GLN 20 -4.538 -3.256 6.432
138 H ALA 21 H ALA 21 -4.199 -3.182 0.475
139 HA ALA 21 HA ALA 21 -2.316 -5.208 0.942
140 1HB ALA 21 1HB ALA 21 -4.693 -5.670 0.621
141 2HB ALA 21 2HB ALA 21 -3.713 -6.602 -0.510
142 3HB ALA 21 3HB ALA 21 -4.573 -5.168 -1.064
143 H PHE 22 H PHE 22 -3.322 -4.094 -2.296
144 HA PHE 22 HA PHE 22 -1.185 -5.257 -3.643
145 1HB PHE 22 2HB PHE 22 -3.213 -4.232 -4.753
146 2HB PHE 22 1HB PHE 22 -2.482 -2.648 -4.489
147 HD1 PHE 22 1HD PHE 22 -1.127 -5.920 -5.662
148 HD2 PHE 22 2HD PHE 22 -1.710 -1.790 -6.419
149 HE1 PHE 22 1HE PHE 22 0.240 -6.099 -7.681
150 HE2 PHE 22 2HE PHE 22 -0.361 -1.963 -8.443
151 HZ PHE 22 HZ PHE 22 0.619 -4.118 -9.094
152 H GLN 23 H GLN 23 -1.359 -2.075 -2.071
153 HA GLN 23 HA GLN 23 1.068 -1.127 -3.238
154 1HB GLN 23 2HB GLN 23 -0.640 -0.196 -0.946
155 2HB GLN 23 1HB GLN 23 0.933 0.526 -1.239
156 1HG GLN 23 2HG GLN 23 0.272 1.531 -3.183
157 2HG GLN 23 1HG GLN 23 -1.016 0.360 -3.479
158 1HE2 GLN 23 1HE2 GLN 23 -1.035 3.320 -3.403
159 2HE2 GLN 23 2HE2 GLN 23 -2.250 3.743 -2.251
160 H GLU 24 H GLU 24 0.248 -2.836 -0.294
161 HA GLU 24 HA GLU 24 2.825 -2.534 0.929
162 1HB GLU 24 2HB GLU 24 0.712 -2.937 2.202
163 2HB GLU 24 1HB GLU 24 0.650 -4.555 1.518
164 1HG GLU 24 2HG GLU 24 2.679 -5.167 2.638
165 2HG GLU 24 1HG GLU 24 2.906 -3.516 3.216
166 H ARG 25 H ARG 25 1.272 -4.769 -1.210
167 HA ARG 25 HA ARG 25 3.247 -6.837 -0.983
168 1HB ARG 25 2HB ARG 25 0.619 -6.616 -1.912
169 2HB ARG 25 1HB ARG 25 1.568 -6.929 -3.359
170 1HG ARG 25 2HG ARG 25 2.436 -8.948 -2.443
171 2HG ARG 25 1HG ARG 25 1.759 -8.582 -0.856
172 1HD ARG 25 2HD ARG 25 -0.515 -8.592 -2.070
173 2HD ARG 25 1HD ARG 25 0.344 -9.431 -3.361
174 HE ARG 25 HE ARG 25 -0.481 -10.524 -0.858
175 1HH1 ARG 25 1HH1 ARG 25 1.973 -10.737 -3.329
176 2HH1 ARG 25 2HH1 ARG 25 2.360 -12.388 -2.980
177 1HH2 ARG 25 1HH2 ARG 25 0.027 -12.697 -0.395
178 2HH2 ARG 25 2HH2 ARG 25 1.255 -13.501 -1.315
179 H TYR 26 H TYR 26 2.203 -4.699 -3.612
180 HA TYR 26 HA TYR 26 4.295 -5.314 -5.378
181 1HB TYR 26 2HB TYR 26 3.074 -4.106 -6.801
182 2HB TYR 26 1HB TYR 26 1.910 -4.082 -5.490
183 HD1 TYR 26 1HD TYR 26 1.055 -2.069 -4.814
184 HD2 TYR 26 2HD TYR 26 4.747 -2.051 -6.857
185 HE1 TYR 26 1HE TYR 26 0.896 0.350 -4.967
186 HE2 TYR 26 2HE TYR 26 4.640 0.399 -6.968
187 HH TYR 26 HH TYR 26 2.413 2.157 -6.930
188 H THR 27 H THR 27 3.809 -2.287 -3.523
189 HA THR 27 HA THR 27 6.215 -1.094 -4.256
190 HB THR 27 HB THR 27 5.088 -0.706 -1.507
191 HG1 THR 27 1HG THR 27 3.223 -0.545 -2.441
192 1HG2 THR 27 1HG2 THR 27 6.647 0.879 -3.405
193 2HG2 THR 27 2HG2 THR 27 6.565 0.950 -1.645
194 3HG2 THR 27 3HG2 THR 27 5.328 1.746 -2.618
195 H ALA 28 H ALA 28 5.497 -3.180 -1.484
196 HA ALA 28 HA ALA 28 7.902 -3.013 -0.151
197 1HB ALA 28 1HB ALA 28 7.403 -5.284 0.710
198 2HB ALA 28 2HB ALA 28 6.090 -5.398 -0.461
199 3HB ALA 28 3HB ALA 28 6.036 -4.174 0.809
200 H GLY 29 H GLY 29 7.068 -5.121 -2.883
201 1HA GLY 29 2HA GLY 29 9.616 -6.437 -2.900
202 2HA GLY 29 1HA GLY 29 8.392 -6.520 -4.160
203 H ILE 30 H ILE 30 8.149 -3.999 -5.050
204 HA ILE 30 HA ILE 30 10.423 -3.679 -6.695
205 HB ILE 30 HB ILE 30 8.141 -2.994 -7.355
206 1HG1 ILE 30 2HG1 ILE 30 8.786 -0.820 -8.407
207 2HG1 ILE 30 1HG1 ILE 30 10.228 -0.804 -7.397
208 1HG2 ILE 30 1HG2 ILE 30 7.696 -1.974 -5.050
209 2HG2 ILE 30 2HG2 ILE 30 7.007 -1.183 -6.467
210 3HG2 ILE 30 3HG2 ILE 30 8.456 -0.524 -5.706
211 1HD1 ILE 30 1HD1 ILE 30 10.210 -3.291 -8.684
212 2HD1 ILE 30 2HD1 ILE 30 11.281 -1.922 -8.981
213 3HD1 ILE 30 3HD1 ILE 30 9.788 -2.092 -9.907
214 H ASN 31 H ASN 31 9.253 -1.773 -3.914
215 HA ASN 31 HA ASN 31 11.283 0.172 -4.029
216 1HB ASN 31 2HB ASN 31 9.034 -0.035 -2.583
217 2HB ASN 31 1HB ASN 31 10.189 -0.568 -1.363
218 1HD2 ASN 31 1HD2 ASN 31 11.918 0.862 -0.807
219 2HD2 ASN 31 2HD2 ASN 31 11.722 2.569 -0.979
220 H SER 32 H SER 32 11.083 -2.974 -2.442
221 HA SER 32 HA SER 32 13.394 -2.812 -0.884
222 1HB SER 32 2HB SER 32 11.945 -5.120 -2.161
223 2HB SER 32 1HB SER 32 13.447 -5.383 -1.273
224 HG SER 32 HG SER 32 12.387 -4.267 0.505
225 H PHE 33 H PHE 33 12.939 -3.570 -4.274
226 HA PHE 33 HA PHE 33 15.511 -4.493 -4.891
227 1HB PHE 33 2HB PHE 33 14.333 -4.787 -6.795
228 2HB PHE 33 1HB PHE 33 13.141 -3.590 -6.325
229 HD1 PHE 33 1HD PHE 33 12.948 -1.634 -7.546
230 HD2 PHE 33 2HD PHE 33 16.573 -3.848 -7.752
231 HE1 PHE 33 1HE PHE 33 13.766 -0.122 -9.289
232 HE2 PHE 33 2HE PHE 33 17.395 -2.332 -9.503
233 HZ PHE 33 HZ PHE 33 15.989 -0.470 -10.279
234 H VAL 34 H VAL 34 14.181 -1.254 -4.613
235 HA VAL 34 HA VAL 34 16.432 0.156 -5.627
236 HB VAL 34 HB VAL 34 14.507 1.334 -3.659
237 1HG1 VAL 34 1HG1 VAL 34 15.774 2.484 -6.133
238 2HG1 VAL 34 2HG1 VAL 34 16.447 2.630 -4.509
239 3HG1 VAL 34 3HG1 VAL 34 14.882 3.352 -4.883
240 1HG2 VAL 34 1HG2 VAL 34 13.965 0.618 -6.532
241 2HG2 VAL 34 2HG2 VAL 34 13.061 1.862 -5.677
242 3HG2 VAL 34 3HG2 VAL 34 13.022 0.193 -5.105
243 H SER 35 H SER 35 15.235 -0.018 -2.290
244 HA SER 35 HA SER 35 17.366 1.158 -1.025
245 1HB SER 35 2HB SER 35 15.978 -1.265 0.102
246 2HB SER 35 1HB SER 35 16.676 0.094 0.980
247 HG SER 35 HG SER 35 14.284 -0.041 -0.491
248 H GLY 36 H GLY 36 17.100 -2.203 -2.101
249 1HA GLY 36 2HA GLY 36 19.439 -3.196 -0.904
250 2HA GLY 36 1HA GLY 36 18.691 -3.842 -2.360
251 H VAL 37 H VAL 37 18.932 -1.865 -4.164
252 HA VAL 37 HA VAL 37 21.704 -1.979 -4.870
253 HB VAL 37 HB VAL 37 21.074 -0.617 -6.815
254 1HG1 VAL 37 1HG1 VAL 37 20.115 -2.343 -7.895
255 2HG1 VAL 37 2HG1 VAL 37 18.789 -2.472 -6.740
256 3HG1 VAL 37 3HG1 VAL 37 20.361 -3.181 -6.362
257 1HG2 VAL 37 1HG2 VAL 37 18.269 -0.552 -5.726
258 2HG2 VAL 37 2HG2 VAL 37 18.900 0.268 -7.153
259 3HG2 VAL 37 3HG2 VAL 37 19.405 0.785 -5.545
260 H ALA 38 H ALA 38 19.596 0.323 -3.329
261 HA ALA 38 HA ALA 38 21.269 2.605 -3.637
262 1HB ALA 38 1HB ALA 38 18.805 1.907 -2.174
263 2HB ALA 38 2HB ALA 38 19.177 3.313 -3.172
264 3HB ALA 38 3HB ALA 38 19.759 3.233 -1.509
265 H SER 39 H SER 39 21.264 -0.103 -1.500
266 HA SER 39 HA SER 39 22.479 0.934 0.768
267 1HB SER 39 2HB SER 39 22.870 -1.799 -0.473
268 2HB SER 39 1HB SER 39 23.305 -1.358 1.178
269 HG SER 39 HG SER 39 20.704 -1.366 0.044
270 H GLY 40 H GLY 40 23.847 0.330 -2.387
271 1HA GLY 40 2HA GLY 40 26.094 1.881 -1.985
272 2HA GLY 40 1HA GLY 40 26.568 0.269 -1.498
273 H ALA 41 H ALA 41 24.349 0.987 -4.168
274 HA ALA 41 HA ALA 41 26.040 -0.538 -5.951
275 1HB ALA 41 1HB ALA 41 24.273 -0.033 -7.638
276 2HB ALA 41 2HB ALA 41 23.427 0.899 -6.403
277 3HB ALA 41 3HB ALA 41 23.677 -0.834 -6.184
278 H GLY 42 H GLY 42 25.281 2.825 -5.349
279 1HA GLY 42 2HA GLY 42 27.252 4.291 -5.974
280 2HA GLY 42 1HA GLY 42 27.053 3.619 -7.586
281 H SER 43 H SER 43 25.003 5.135 -5.087
282 HA SER 43 HA SER 43 24.326 7.355 -6.687
283 1HB SER 43 2HB SER 43 22.081 6.863 -7.343
284 2HB SER 43 1HB SER 43 23.074 5.514 -7.894
285 HG SER 43 HG SER 43 21.204 5.621 -5.808
286 H ILE 44 H ILE 44 25.002 8.093 -4.554
287 HA ILE 44 HA ILE 44 22.703 8.599 -2.867
288 HB ILE 44 HB ILE 44 23.558 6.499 -1.919
289 1HG1 ILE 44 2HG1 ILE 44 24.345 7.759 0.380
290 2HG1 ILE 44 1HG1 ILE 44 23.504 9.056 -0.461
291 1HG2 ILE 44 1HG2 ILE 44 26.073 7.834 -1.051
292 2HG2 ILE 44 2HG2 ILE 44 25.978 7.159 -2.677
293 3HG2 ILE 44 3HG2 ILE 44 25.722 6.120 -1.275
294 1HD1 ILE 44 1HD1 ILE 44 22.380 7.045 1.089
295 2HD1 ILE 44 2HD1 ILE 44 21.989 6.613 -0.574
296 3HD1 ILE 44 3HD1 ILE 44 21.533 8.195 0.056
297 H GLY 45 H GLY 45 23.651 10.523 -4.241
298 1HA GLY 45 2HA GLY 45 24.603 12.430 -2.422
299 2HA GLY 45 1HA GLY 45 25.967 11.862 -3.372
300 H ARG 46 H ARG 46 22.625 12.274 -4.433
301 HA ARG 46 HA ARG 46 21.696 13.493 -6.099
302 1HB ARG 46 2HB ARG 46 23.763 15.340 -4.985
303 2HB ARG 46 1HB ARG 46 22.901 15.804 -6.439
304 1HG ARG 46 2HG ARG 46 21.594 16.769 -4.827
305 2HG ARG 46 1HG ARG 46 20.783 15.216 -5.033
306 1HD ARG 46 2HD ARG 46 20.967 15.558 -2.702
307 2HD ARG 46 1HD ARG 46 22.195 14.365 -3.120
308 HE ARG 46 HE ARG 46 23.525 16.731 -3.235
309 1HH1 ARG 46 1HH1 ARG 46 21.572 15.170 -0.800
310 2HH1 ARG 46 2HH1 ARG 46 22.429 15.884 0.524
311 1HH2 ARG 46 1HH2 ARG 46 24.653 17.673 -1.492
312 2HH2 ARG 46 2HH2 ARG 46 24.176 17.306 0.132
313 H ARG 47 H ARG 47 22.567 15.000 -8.132
314 HA ARG 47 HA ARG 47 23.306 14.724 -10.267
315 1HB ARG 47 2HB ARG 47 25.813 14.521 -10.427
316 2HB ARG 47 1HB ARG 47 25.220 15.836 -9.428
317 1HG ARG 47 2HG ARG 47 25.752 14.642 -7.421
318 2HG ARG 47 1HG ARG 47 26.141 13.184 -8.339
319 1HD ARG 47 2HD ARG 47 27.866 14.738 -9.527
320 2HD ARG 47 1HD ARG 47 27.670 15.739 -8.089
321 HE ARG 47 HE ARG 47 28.823 14.173 -6.871
322 1HH1 ARG 47 1HH1 ARG 47 27.960 12.808 -9.965
323 2HH1 ARG 47 2HH1 ARG 47 28.945 11.400 -9.758
324 1HH2 ARG 47 1HH2 ARG 47 30.118 12.322 -6.596
325 2HH2 ARG 47 2HH2 ARG 47 30.170 11.122 -7.845
326 HA PRO 48 HA PRO 48 23.053 10.217 -10.680
327 1HB PRO 48 2HB PRO 48 21.742 10.209 -13.033
328 2HB PRO 48 1HB PRO 48 20.915 10.522 -11.501
329 1HG PRO 48 2HG PRO 48 21.880 12.467 -13.565
330 2HG PRO 48 1HG PRO 48 20.342 12.446 -12.684
331 1HD PRO 48 2HD PRO 48 22.432 14.048 -11.991
332 2HD PRO 48 1HD PRO 48 21.256 13.423 -10.813
Start of MODEL 6
1 H VAL 1 H VAL 1 -21.395 3.132 4.460
2 HA VAL 1 HA VAL 1 -20.851 5.464 3.801
3 HB VAL 1 HB VAL 1 -21.377 5.328 6.096
4 1HG1 VAL 1 1HG1 VAL 1 -19.793 4.373 7.771
5 2HG1 VAL 1 2HG1 VAL 1 -20.283 3.174 6.550
6 3HG1 VAL 1 3HG1 VAL 1 -18.682 3.945 6.448
7 1HG2 VAL 1 1HG2 VAL 1 -20.078 7.035 6.977
8 2HG2 VAL 1 2HG2 VAL 1 -18.553 6.304 6.423
9 3HG2 VAL 1 3HG2 VAL 1 -19.606 7.151 5.264
10 H ASN 2 H ASN 2 -19.222 4.679 2.022
11 HA ASN 2 HA ASN 2 -16.766 6.068 2.540
12 1HB ASN 2 2HB ASN 2 -15.318 4.123 1.895
13 2HB ASN 2 1HB ASN 2 -16.089 3.972 3.471
14 1HD2 ASN 2 1HD2 ASN 2 -15.670 2.597 0.385
15 2HD2 ASN 2 2HD2 ASN 2 -16.746 1.258 0.577
16 H TYR 3 H TYR 3 -18.099 7.174 0.783
17 HA TYR 3 HA TYR 3 -18.077 5.932 -1.829
18 1HB TYR 3 2HB TYR 3 -18.655 8.819 -1.093
19 2HB TYR 3 1HB TYR 3 -19.008 8.044 -2.633
20 HD1 TYR 3 1HD TYR 3 -20.994 6.790 -2.947
21 HD2 TYR 3 2HD TYR 3 -19.900 8.091 0.958
22 HE1 TYR 3 1HE TYR 3 -23.202 6.113 -2.108
23 HE2 TYR 3 2HE TYR 3 -22.108 7.419 1.805
24 HH TYR 3 HH TYR 3 -23.919 5.914 1.220
25 H GLY 4 H GLY 4 -16.692 6.412 -3.535
26 1HA GLY 4 2HA GLY 4 -15.041 8.380 -4.138
27 2HA GLY 4 1HA GLY 4 -14.174 7.693 -2.767
28 H ASN 5 H ASN 5 -14.537 7.607 -6.081
29 HA ASN 5 HA ASN 5 -13.383 6.416 -7.663
30 1HB ASN 5 2HB ASN 5 -11.844 5.866 -5.541
31 2HB ASN 5 1HB ASN 5 -12.522 4.260 -5.791
32 1HD2 ASN 5 1HD2 ASN 5 -10.019 4.171 -6.068
33 2HD2 ASN 5 2HD2 ASN 5 -9.481 4.212 -7.709
34 H GLY 6 H GLY 6 -15.737 6.051 -8.146
35 1HA GLY 6 2HA GLY 6 -17.131 4.471 -9.165
36 2HA GLY 6 1HA GLY 6 -16.163 3.196 -8.435
37 H VAL 7 H VAL 7 -18.705 5.557 -7.819
38 HA VAL 7 HA VAL 7 -19.319 4.345 -5.252
39 HB VAL 7 HB VAL 7 -21.181 6.045 -5.206
40 1HG1 VAL 7 1HG1 VAL 7 -19.167 6.499 -4.019
41 2HG1 VAL 7 2HG1 VAL 7 -19.605 7.970 -4.887
42 3HG1 VAL 7 3HG1 VAL 7 -18.318 6.934 -5.503
43 1HG2 VAL 7 1HG2 VAL 7 -20.834 6.221 -7.880
44 2HG2 VAL 7 2HG2 VAL 7 -19.872 7.599 -7.343
45 3HG2 VAL 7 3HG2 VAL 7 -21.575 7.486 -6.900
46 H SER 8 H SER 8 -20.336 2.464 -5.313
47 HA SER 8 HA SER 8 -22.979 2.175 -6.188
48 1HB SER 8 2HB SER 8 -22.223 0.301 -7.959
49 2HB SER 8 1HB SER 8 -22.516 1.975 -8.431
50 HG SER 8 HG SER 8 -20.545 1.581 -9.231
51 H CYS 9 H CYS 9 -22.462 1.534 -3.877
52 HA CYS 9 HA CYS 9 -22.281 -1.367 -3.767
53 1HB CYS 9 2HB CYS 9 -20.003 0.008 -3.278
54 2HB CYS 9 1HB CYS 9 -20.707 0.006 -1.665
55 H SER 10 H SER 10 -24.574 -0.929 -3.381
56 HA SER 10 HA SER 10 -25.195 0.205 -0.754
57 1HB SER 10 2HB SER 10 -27.578 -0.025 -1.557
58 2HB SER 10 1HB SER 10 -26.576 1.068 -2.509
59 HG SER 10 HG SER 10 -27.763 -1.303 -3.220
60 H LYS 11 H LYS 11 -26.359 -0.932 0.814
61 HA LYS 11 HA LYS 11 -27.170 -2.714 1.984
62 1HB LYS 11 2HB LYS 11 -26.943 -4.101 -0.685
63 2HB LYS 11 1HB LYS 11 -27.397 -4.962 0.774
64 1HG LYS 11 2HG LYS 11 -28.876 -2.631 -0.429
65 2HG LYS 11 1HG LYS 11 -29.347 -4.327 -0.523
66 1HD LYS 11 2HD LYS 11 -28.878 -3.515 2.214
67 2HD LYS 11 1HD LYS 11 -30.083 -2.488 1.435
68 1HE LYS 11 2HE LYS 11 -31.462 -4.147 2.140
69 2HE LYS 11 1HE LYS 11 -30.974 -4.849 0.598
70 1HZ LYS 11 1HZ LYS 11 -30.318 -5.677 3.301
71 2HZ LYS 11 2HZ LYS 11 -29.044 -5.754 2.191
72 3HZ LYS 11 3HZ LYS 11 -30.477 -6.601 1.892
73 H THR 12 H THR 12 -26.052 -3.789 3.493
74 HA THR 12 HA THR 12 -24.312 -4.785 4.570
75 HB THR 12 HB THR 12 -23.381 -5.870 1.926
76 HG1 THR 12 1HG THR 12 -25.490 -7.006 3.423
77 1HG2 THR 12 1HG2 THR 12 -23.173 -6.696 4.753
78 2HG2 THR 12 2HG2 THR 12 -22.017 -6.856 3.430
79 3HG2 THR 12 3HG2 THR 12 -23.380 -7.970 3.549
80 H LYS 13 H LYS 13 -21.774 -5.074 4.395
81 HA LYS 13 HA LYS 13 -20.729 -2.436 3.887
82 1HB LYS 13 2HB LYS 13 -20.164 -4.182 5.803
83 2HB LYS 13 1HB LYS 13 -18.972 -4.734 4.636
84 1HG LYS 13 2HG LYS 13 -17.741 -3.223 5.825
85 2HG LYS 13 1HG LYS 13 -18.349 -2.191 4.531
86 1HD LYS 13 2HD LYS 13 -20.338 -1.824 6.227
87 2HD LYS 13 1HD LYS 13 -19.109 -2.284 7.408
88 1HE LYS 13 2HE LYS 13 -17.708 -0.511 5.950
89 2HE LYS 13 1HE LYS 13 -19.332 0.144 5.738
90 1HZ LYS 13 1HZ LYS 13 -18.759 1.184 7.652
91 2HZ LYS 13 2HZ LYS 13 -17.699 -0.034 8.151
92 3HZ LYS 13 3HZ LYS 13 -19.367 -0.238 8.338
93 H CYS 14 H CYS 14 -18.686 -2.132 2.647
94 HA CYS 14 HA CYS 14 -18.756 -3.787 0.217
95 1HB CYS 14 2HB CYS 14 -19.181 -1.210 0.269
96 2HB CYS 14 1HB CYS 14 -17.424 -1.118 0.370
97 H SER 15 H SER 15 -17.183 -5.231 0.049
98 HA SER 15 HA SER 15 -14.726 -4.929 1.546
99 1HB SER 15 2HB SER 15 -15.175 -7.161 -0.400
100 2HB SER 15 1HB SER 15 -14.357 -7.189 1.163
101 HG SER 15 HG SER 15 -16.962 -7.662 0.568
102 H VAL 16 H VAL 16 -12.869 -6.138 -0.065
103 HA VAL 16 HA VAL 16 -11.479 -5.888 -1.868
104 HB VAL 16 HB VAL 16 -13.181 -3.742 -3.104
105 1HG1 VAL 16 1HG1 VAL 16 -11.079 -5.642 -3.939
106 2HG1 VAL 16 2HG1 VAL 16 -11.404 -3.995 -4.480
107 3HG1 VAL 16 3HG1 VAL 16 -12.367 -5.335 -5.102
108 1HG2 VAL 16 1HG2 VAL 16 -14.175 -5.877 -4.346
109 2HG2 VAL 16 2HG2 VAL 16 -14.931 -5.192 -2.909
110 3HG2 VAL 16 3HG2 VAL 16 -13.886 -6.606 -2.767
111 H ASN 17 H ASN 17 -9.943 -5.010 -0.504
112 HA ASN 17 HA ASN 17 -9.737 -2.057 -0.538
113 1HB ASN 17 2HB ASN 17 -9.303 -4.047 1.651
114 2HB ASN 17 1HB ASN 17 -8.322 -2.582 1.623
115 1HD2 ASN 17 1HD2 ASN 17 -9.832 -2.875 3.754
116 2HD2 ASN 17 2HD2 ASN 17 -11.218 -1.845 3.717
117 H TRP 18 H TRP 18 -8.723 -3.981 -2.425
118 HA TRP 18 HA TRP 18 -6.168 -4.845 -2.305
119 1HB TRP 18 2HB TRP 18 -7.995 -4.145 -4.363
120 2HB TRP 18 1HB TRP 18 -6.444 -3.432 -4.795
121 HD1 TRP 18 HD TRP 18 -5.022 -4.983 -6.217
122 HE1 TRP 18 1HE TRP 18 -4.740 -7.530 -6.478
123 HE3 TRP 18 3HE TRP 18 -8.341 -6.534 -2.657
124 HZ2 TRP 18 2HZ TRP 18 -5.784 -9.880 -5.320
125 HZ3 TRP 18 3HZ TRP 18 -8.635 -8.947 -2.290
126 HH2 TRP 18 HH TRP 18 -7.383 -10.585 -3.595
127 H GLY 19 H GLY 19 -7.167 -1.476 -2.401
128 1HA GLY 19 2HA GLY 19 -4.986 -0.113 -3.270
129 2HA GLY 19 1HA GLY 19 -5.957 0.422 -1.908
130 H GLN 20 H GLN 20 -5.416 -1.004 0.146
131 HA GLN 20 HA GLN 20 -2.714 -0.348 0.794
132 1HB GLN 20 2HB GLN 20 -4.950 -1.701 2.278
133 2HB GLN 20 1HB GLN 20 -3.328 -1.664 2.951
134 1HG GLN 20 2HG GLN 20 -4.036 0.959 2.078
135 2HG GLN 20 1HG GLN 20 -5.321 0.314 3.099
136 1HE2 GLN 20 1HE2 GLN 20 -1.931 1.135 2.933
137 2HE2 GLN 20 2HE2 GLN 20 -1.663 1.215 4.637
138 H ALA 21 H ALA 21 -4.400 -3.353 0.076
139 HA ALA 21 HA ALA 21 -2.308 -5.120 0.787
140 1HB ALA 21 1HB ALA 21 -3.544 -6.777 -0.514
141 2HB ALA 21 2HB ALA 21 -4.524 -5.492 -1.224
142 3HB ALA 21 3HB ALA 21 -4.638 -5.836 0.501
143 H PHE 22 H PHE 22 -3.409 -4.371 -2.530
144 HA PHE 22 HA PHE 22 -1.251 -5.438 -3.855
145 1HB PHE 22 2HB PHE 22 -3.311 -4.466 -4.941
146 2HB PHE 22 1HB PHE 22 -2.599 -2.869 -4.702
147 HD1 PHE 22 1HD PHE 22 -1.957 -6.160 -6.295
148 HD2 PHE 22 2HD PHE 22 -1.109 -2.004 -6.168
149 HE1 PHE 22 1HE PHE 22 -0.582 -6.381 -8.310
150 HE2 PHE 22 2HE PHE 22 0.251 -2.204 -8.180
151 HZ PHE 22 HZ PHE 22 0.520 -4.397 -9.282
152 H GLN 23 H GLN 23 -1.455 -2.354 -2.187
153 HA GLN 23 HA GLN 23 0.942 -1.339 -3.412
154 1HB GLN 23 2HB GLN 23 -0.772 0.233 -2.736
155 2HB GLN 23 1HB GLN 23 -0.743 -0.366 -1.087
156 1HG GLN 23 2HG GLN 23 1.659 0.421 -0.982
157 2HG GLN 23 1HG GLN 23 1.344 1.263 -2.499
158 1HE2 GLN 23 1HE2 GLN 23 0.115 3.085 -2.502
159 2HE2 GLN 23 2HE2 GLN 23 -0.442 3.866 -1.066
160 H GLU 24 H GLU 24 0.106 -2.887 -0.373
161 HA GLU 24 HA GLU 24 2.667 -2.404 0.833
162 1HB GLU 24 2HB GLU 24 0.662 -2.736 2.203
163 2HB GLU 24 1HB GLU 24 0.467 -4.355 1.554
164 1HG GLU 24 2HG GLU 24 3.096 -4.101 2.618
165 2HG GLU 24 1HG GLU 24 1.931 -3.552 3.822
166 H ARG 25 H ARG 25 1.240 -4.708 -1.249
167 HA ARG 25 HA ARG 25 3.164 -6.797 -0.878
168 1HB ARG 25 2HB ARG 25 0.622 -6.468 -2.053
169 2HB ARG 25 1HB ARG 25 1.701 -6.940 -3.356
170 1HG ARG 25 2HG ARG 25 2.285 -8.956 -2.284
171 2HG ARG 25 1HG ARG 25 1.586 -8.429 -0.753
172 1HD ARG 25 2HD ARG 25 -0.386 -9.280 -1.308
173 2HD ARG 25 1HD ARG 25 -0.415 -8.342 -2.801
174 HE ARG 25 HE ARG 25 0.337 -11.118 -2.492
175 1HH1 ARG 25 1HH1 ARG 25 0.429 -8.293 -4.541
176 2HH1 ARG 25 2HH1 ARG 25 0.703 -9.200 -5.988
177 1HH2 ARG 25 1HH2 ARG 25 0.702 -12.309 -4.395
178 2HH2 ARG 25 2HH2 ARG 25 0.859 -11.478 -5.907
179 H TYR 26 H TYR 26 2.346 -4.676 -3.632
180 HA TYR 26 HA TYR 26 4.654 -5.368 -5.114
181 1HB TYR 26 2HB TYR 26 3.742 -4.132 -6.774
182 2HB TYR 26 1HB TYR 26 2.323 -4.322 -5.774
183 HD1 TYR 26 1HD TYR 26 5.084 -1.916 -6.508
184 HD2 TYR 26 2HD TYR 26 1.140 -2.504 -5.128
185 HE1 TYR 26 1HE TYR 26 4.697 0.504 -6.547
186 HE2 TYR 26 2HE TYR 26 0.718 -0.101 -5.164
187 HH TYR 26 HH TYR 26 2.569 2.041 -6.784
188 H THR 27 H THR 27 3.894 -2.238 -3.483
189 HA THR 27 HA THR 27 6.341 -1.037 -3.998
190 HB THR 27 HB THR 27 5.028 -0.547 -1.356
191 HG1 THR 27 1HG THR 27 3.204 -0.057 -2.224
192 1HG2 THR 27 1HG2 THR 27 6.589 1.078 -1.618
193 2HG2 THR 27 2HG2 THR 27 5.231 1.854 -2.431
194 3HG2 THR 27 3HG2 THR 27 6.487 1.055 -3.377
195 H ALA 28 H ALA 28 5.469 -3.319 -1.458
196 HA ALA 28 HA ALA 28 7.737 -3.098 0.149
197 1HB ALA 28 1HB ALA 28 5.812 -5.307 -0.415
198 2HB ALA 28 2HB ALA 28 6.119 -4.439 1.090
199 3HB ALA 28 3HB ALA 28 7.268 -5.650 0.520
200 H GLY 29 H GLY 29 7.171 -5.262 -2.625
201 1HA GLY 29 2HA GLY 29 9.861 -6.272 -2.622
202 2HA GLY 29 1HA GLY 29 8.648 -6.530 -3.868
203 H ILE 30 H ILE 30 8.127 -3.770 -4.401
204 HA ILE 30 HA ILE 30 10.189 -3.268 -6.304
205 HB ILE 30 HB ILE 30 7.876 -1.542 -5.387
206 1HG1 ILE 30 2HG1 ILE 30 7.263 -3.672 -6.491
207 2HG1 ILE 30 1HG1 ILE 30 6.798 -2.266 -7.441
208 1HG2 ILE 30 1HG2 ILE 30 9.111 0.094 -6.352
209 2HG2 ILE 30 2HG2 ILE 30 8.425 -0.589 -7.826
210 3HG2 ILE 30 3HG2 ILE 30 10.055 -1.036 -7.323
211 1HD1 ILE 30 1HD1 ILE 30 9.388 -3.014 -8.269
212 2HD1 ILE 30 2HD1 ILE 30 7.875 -3.109 -9.170
213 3HD1 ILE 30 3HD1 ILE 30 8.406 -4.478 -8.194
214 H ASN 31 H ASN 31 9.279 -1.826 -3.205
215 HA ASN 31 HA ASN 31 11.138 0.284 -3.227
216 1HB ASN 31 2HB ASN 31 9.226 0.182 -1.652
217 2HB ASN 31 1HB ASN 31 9.991 -1.180 -0.830
218 1HD2 ASN 31 1HD2 ASN 31 10.612 2.170 -1.802
219 2HD2 ASN 31 2HD2 ASN 31 11.539 2.584 -0.404
220 H SER 32 H SER 32 11.336 -3.073 -2.129
221 HA SER 32 HA SER 32 13.800 -2.989 -0.835
222 1HB SER 32 2HB SER 32 12.020 -4.987 -1.433
223 2HB SER 32 1HB SER 32 13.372 -5.393 -2.491
224 HG SER 32 HG SER 32 14.723 -5.338 -0.645
225 H PHE 33 H PHE 33 13.057 -3.595 -4.252
226 HA PHE 33 HA PHE 33 15.523 -4.071 -5.314
227 1HB PHE 33 2HB PHE 33 14.095 -4.047 -7.082
228 2HB PHE 33 1HB PHE 33 13.006 -2.918 -6.285
229 HD1 PHE 33 1HD PHE 33 13.503 -0.468 -6.385
230 HD2 PHE 33 2HD PHE 33 15.582 -3.313 -8.765
231 HE1 PHE 33 1HE PHE 33 14.279 1.341 -7.854
232 HE2 PHE 33 2HE PHE 33 16.360 -1.508 -10.247
233 HZ PHE 33 HZ PHE 33 15.707 0.823 -9.791
234 H VAL 34 H VAL 34 14.166 -0.981 -4.302
235 HA VAL 34 HA VAL 34 16.280 0.637 -5.296
236 HB VAL 34 HB VAL 34 14.603 1.448 -2.945
237 1HG1 VAL 34 1HG1 VAL 34 16.276 3.009 -3.589
238 2HG1 VAL 34 2HG1 VAL 34 14.726 3.636 -4.152
239 3HG1 VAL 34 3HG1 VAL 34 15.836 2.872 -5.291
240 1HG2 VAL 34 1HG2 VAL 34 12.840 2.167 -4.484
241 2HG2 VAL 34 2HG2 VAL 34 13.056 0.422 -4.545
242 3HG2 VAL 34 3HG2 VAL 34 13.708 1.435 -5.830
243 H SER 35 H SER 35 15.458 -0.097 -1.916
244 HA SER 35 HA SER 35 17.690 0.873 -0.689
245 1HB SER 35 2HB SER 35 16.457 -1.765 0.102
246 2HB SER 35 1HB SER 35 17.227 -0.573 1.148
247 HG SER 35 HG SER 35 14.713 -0.743 0.720
248 H GLY 36 H GLY 36 17.330 -2.494 -1.832
249 1HA GLY 36 2HA GLY 36 19.930 -3.354 -1.297
250 2HA GLY 36 1HA GLY 36 18.905 -4.004 -2.572
251 H VAL 37 H VAL 37 18.649 -2.092 -4.366
252 HA VAL 37 HA VAL 37 21.131 -2.037 -5.715
253 HB VAL 37 HB VAL 37 18.551 -0.538 -6.198
254 1HG1 VAL 37 1HG1 VAL 37 19.609 -0.355 -8.576
255 2HG1 VAL 37 2HG1 VAL 37 21.132 -0.478 -7.693
256 3HG1 VAL 37 3HG1 VAL 37 20.007 0.833 -7.335
257 1HG2 VAL 37 1HG2 VAL 37 18.747 -3.102 -6.410
258 2HG2 VAL 37 2HG2 VAL 37 19.674 -2.755 -7.869
259 3HG2 VAL 37 3HG2 VAL 37 18.006 -2.195 -7.730
260 H ALA 38 H ALA 38 19.753 0.016 -3.327
261 HA ALA 38 HA ALA 38 21.211 2.392 -4.031
262 1HB ALA 38 1HB ALA 38 19.713 1.654 -1.521
263 2HB ALA 38 2HB ALA 38 19.094 2.588 -2.880
264 3HB ALA 38 3HB ALA 38 20.382 3.247 -1.872
265 H SER 39 H SER 39 21.790 -0.445 -2.122
266 HA SER 39 HA SER 39 23.805 0.563 -0.426
267 1HB SER 39 2HB SER 39 22.564 -1.676 -0.247
268 2HB SER 39 1HB SER 39 23.705 -2.272 -1.454
269 HG SER 39 HG SER 39 24.425 -2.682 0.676
270 H GLY 40 H GLY 40 23.906 -0.952 -3.625
271 1HA GLY 40 2HA GLY 40 26.783 -0.738 -3.798
272 2HA GLY 40 1HA GLY 40 25.695 -1.276 -5.070
273 H ALA 41 H ALA 41 24.066 0.735 -5.579
274 HA ALA 41 HA ALA 41 23.868 2.728 -6.670
275 1HB ALA 41 1HB ALA 41 26.127 3.533 -4.855
276 2HB ALA 41 2HB ALA 41 24.404 3.667 -4.500
277 3HB ALA 41 3HB ALA 41 25.118 4.634 -5.791
278 H GLY 42 H GLY 42 25.949 0.643 -7.473
279 1HA GLY 42 2HA GLY 42 27.026 2.188 -9.673
280 2HA GLY 42 1HA GLY 42 28.239 1.563 -8.567
281 H SER 43 H SER 43 25.266 -0.127 -9.319
282 HA SER 43 HA SER 43 26.858 -2.297 -10.475
283 1HB SER 43 2HB SER 43 24.924 -2.411 -8.589
284 2HB SER 43 1HB SER 43 23.951 -2.672 -10.036
285 HG SER 43 HG SER 43 24.632 -4.663 -9.486
286 H ILE 44 H ILE 44 26.182 0.178 -11.943
287 HA ILE 44 HA ILE 44 25.723 0.711 -14.109
288 HB ILE 44 HB ILE 44 24.870 -2.156 -14.518
289 1HG1 ILE 44 2HG1 ILE 44 27.559 -1.123 -15.318
290 2HG1 ILE 44 1HG1 ILE 44 27.300 -1.586 -13.640
291 1HG2 ILE 44 1HG2 ILE 44 25.458 -1.668 -16.877
292 2HG2 ILE 44 2HG2 ILE 44 25.714 0.018 -16.427
293 3HG2 ILE 44 3HG2 ILE 44 24.111 -0.703 -16.276
294 1HD1 ILE 44 1HD1 ILE 44 28.267 -3.396 -14.958
295 2HD1 ILE 44 2HD1 ILE 44 26.864 -3.365 -16.027
296 3HD1 ILE 44 3HD1 ILE 44 26.674 -3.822 -14.335
297 H GLY 45 H GLY 45 24.035 1.978 -13.136
298 1HA GLY 45 2HA GLY 45 21.461 1.356 -14.280
299 2HA GLY 45 1HA GLY 45 21.470 1.316 -12.526
300 H ARG 46 H ARG 46 23.330 3.475 -14.599
301 HA ARG 46 HA ARG 46 21.550 5.693 -14.221
302 1HB ARG 46 2HB ARG 46 23.031 7.081 -12.894
303 2HB ARG 46 1HB ARG 46 22.666 5.602 -12.017
304 1HG ARG 46 2HG ARG 46 24.890 4.741 -13.025
305 2HG ARG 46 1HG ARG 46 25.225 6.451 -13.304
306 1HD ARG 46 2HD ARG 46 24.222 5.946 -10.626
307 2HD ARG 46 1HD ARG 46 25.694 5.039 -10.970
308 HE ARG 46 HE ARG 46 26.269 7.550 -11.828
309 1HH1 ARG 46 1HH1 ARG 46 25.099 6.231 -8.816
310 2HH1 ARG 46 2HH1 ARG 46 25.837 7.462 -7.847
311 1HH2 ARG 46 1HH2 ARG 46 27.239 9.170 -10.555
312 2HH2 ARG 46 2HH2 ARG 46 27.052 9.131 -8.833
313 H ARG 47 H ARG 47 21.605 6.113 -16.368
314 HA ARG 47 HA ARG 47 24.133 7.147 -17.430
315 1HB ARG 47 2HB ARG 47 22.379 5.093 -18.782
316 2HB ARG 47 1HB ARG 47 23.583 6.044 -19.639
317 1HG ARG 47 2HG ARG 47 24.798 4.171 -19.213
318 2HG ARG 47 1HG ARG 47 25.174 5.106 -17.765
319 1HD ARG 47 2HD ARG 47 24.549 3.234 -16.685
320 2HD ARG 47 1HD ARG 47 22.917 3.835 -16.977
321 HE ARG 47 HE ARG 47 23.803 2.276 -19.165
322 1HH1 ARG 47 1HH1 ARG 47 22.681 1.985 -15.874
323 2HH1 ARG 47 2HH1 ARG 47 22.039 0.393 -16.102
324 1HH2 ARG 47 1HH2 ARG 47 22.958 0.182 -19.467
325 2HH2 ARG 47 2HH2 ARG 47 22.197 -0.631 -18.141
326 HA PRO 48 HA PRO 48 21.756 10.541 -18.891
327 1HB PRO 48 2HB PRO 48 23.176 10.347 -21.483
328 2HB PRO 48 1HB PRO 48 23.098 11.694 -20.342
329 1HG PRO 48 2HG PRO 48 25.316 10.226 -20.600
330 2HG PRO 48 1HG PRO 48 24.800 10.850 -19.023
331 1HD PRO 48 2HD PRO 48 24.563 8.086 -20.142
332 2HD PRO 48 1HD PRO 48 24.940 8.609 -18.483
Start of MODEL 7
1 H VAL 1 H VAL 1 -19.954 7.195 12.653
2 HA VAL 1 HA VAL 1 -18.174 8.822 12.057
3 HB VAL 1 HB VAL 1 -20.696 9.985 13.299
4 1HG1 VAL 1 1HG1 VAL 1 -20.154 11.924 11.736
5 2HG1 VAL 1 2HG1 VAL 1 -19.087 11.772 13.153
6 3HG1 VAL 1 3HG1 VAL 1 -18.529 11.220 11.555
7 1HG2 VAL 1 1HG2 VAL 1 -21.300 10.142 10.826
8 2HG2 VAL 1 2HG2 VAL 1 -19.873 9.130 10.497
9 3HG2 VAL 1 3HG2 VAL 1 -21.209 8.490 11.483
10 H ASN 2 H ASN 2 -17.396 7.763 14.613
11 HA ASN 2 HA ASN 2 -17.075 9.974 16.419
12 1HB ASN 2 2HB ASN 2 -17.074 7.293 16.797
13 2HB ASN 2 1HB ASN 2 -15.339 7.601 16.747
14 1HD2 ASN 2 1HD2 ASN 2 -17.479 6.965 18.879
15 2HD2 ASN 2 2HD2 ASN 2 -17.088 8.058 20.159
16 H TYR 3 H TYR 3 -14.893 10.595 17.209
17 HA TYR 3 HA TYR 3 -12.650 10.337 15.387
18 1HB TYR 3 2HB TYR 3 -14.433 12.634 15.243
19 2HB TYR 3 1HB TYR 3 -12.825 13.138 15.729
20 HD1 TYR 3 1HD TYR 3 -10.972 13.015 14.187
21 HD2 TYR 3 2HD TYR 3 -14.812 11.619 13.048
22 HE1 TYR 3 1HE TYR 3 -10.266 12.989 11.838
23 HE2 TYR 3 2HE TYR 3 -14.118 11.586 10.702
24 HH TYR 3 HH TYR 3 -11.351 13.103 9.583
25 H GLY 4 H GLY 4 -13.157 9.602 18.043
26 1HA GLY 4 2HA GLY 4 -11.153 11.247 19.477
27 2HA GLY 4 1HA GLY 4 -12.638 10.732 20.273
28 H ASN 5 H ASN 5 -10.339 9.113 18.142
29 HA ASN 5 HA ASN 5 -9.421 7.315 20.203
30 1HB ASN 5 2HB ASN 5 -11.241 6.361 17.989
31 2HB ASN 5 1HB ASN 5 -10.183 5.281 18.882
32 1HD2 ASN 5 1HD2 ASN 5 -10.751 4.619 20.871
33 2HD2 ASN 5 2HD2 ASN 5 -12.248 5.014 21.636
34 H GLY 6 H GLY 6 -9.805 7.767 16.714
35 1HA GLY 6 2HA GLY 6 -7.437 8.416 15.799
36 2HA GLY 6 1HA GLY 6 -7.117 6.747 16.249
37 H VAL 7 H VAL 7 -8.949 8.846 14.159
38 HA VAL 7 HA VAL 7 -9.041 6.775 12.120
39 HB VAL 7 HB VAL 7 -11.188 6.479 13.316
40 1HG1 VAL 7 1HG1 VAL 7 -11.833 9.264 12.451
41 2HG1 VAL 7 2HG1 VAL 7 -11.395 8.824 14.098
42 3HG1 VAL 7 3HG1 VAL 7 -12.867 8.177 13.365
43 1HG2 VAL 7 1HG2 VAL 7 -11.725 7.758 10.656
44 2HG2 VAL 7 2HG2 VAL 7 -12.559 6.395 11.402
45 3HG2 VAL 7 3HG2 VAL 7 -10.908 6.203 10.809
46 H SER 8 H SER 8 -8.899 7.611 10.094
47 HA SER 8 HA SER 8 -8.955 10.562 9.847
48 1HB SER 8 2HB SER 8 -6.681 9.294 9.779
49 2HB SER 8 1HB SER 8 -7.183 8.824 8.155
50 HG SER 8 HG SER 8 -7.041 11.497 9.105
51 H CYS 9 H CYS 9 -11.301 9.499 9.324
52 HA CYS 9 HA CYS 9 -11.554 9.852 6.462
53 1HB CYS 9 2HB CYS 9 -11.174 7.436 6.655
54 2HB CYS 9 1HB CYS 9 -12.494 7.310 7.809
55 H SER 10 H SER 10 -13.267 11.102 6.087
56 HA SER 10 HA SER 10 -15.214 11.502 8.227
57 1HB SER 10 2HB SER 10 -13.997 13.372 6.817
58 2HB SER 10 1HB SER 10 -15.277 13.036 5.653
59 HG SER 10 HG SER 10 -16.297 14.440 6.874
60 H LYS 11 H LYS 11 -15.466 11.366 4.675
61 HA LYS 11 HA LYS 11 -17.320 9.193 4.737
62 1HB LYS 11 2HB LYS 11 -19.240 10.418 3.809
63 2HB LYS 11 1HB LYS 11 -18.842 10.945 5.437
64 1HG LYS 11 2HG LYS 11 -17.893 12.960 4.660
65 2HG LYS 11 1HG LYS 11 -17.875 12.390 2.989
66 1HD LYS 11 2HD LYS 11 -20.496 12.176 3.493
67 2HD LYS 11 1HD LYS 11 -20.100 13.485 4.608
68 1HE LYS 11 2HE LYS 11 -19.542 13.429 1.644
69 2HE LYS 11 1HE LYS 11 -20.790 14.375 2.454
70 1HZ LYS 11 1HZ LYS 11 -17.906 14.816 2.342
71 2HZ LYS 11 2HZ LYS 11 -18.695 15.235 3.779
72 3HZ LYS 11 3HZ LYS 11 -19.175 15.936 2.316
73 H THR 12 H THR 12 -18.299 8.858 2.501
74 HA THR 12 HA THR 12 -18.035 8.477 0.290
75 HB THR 12 HB THR 12 -16.193 10.705 -0.230
76 HG1 THR 12 1HG THR 12 -17.409 12.270 0.542
77 1HG2 THR 12 1HG2 THR 12 -17.224 10.644 -2.175
78 2HG2 THR 12 2HG2 THR 12 -18.758 11.030 -1.396
79 3HG2 THR 12 3HG2 THR 12 -18.259 9.347 -1.579
80 H LYS 13 H LYS 13 -14.853 9.859 1.206
81 HA LYS 13 HA LYS 13 -13.518 7.829 -0.344
82 1HB LYS 13 2HB LYS 13 -12.660 10.225 1.208
83 2HB LYS 13 1HB LYS 13 -11.463 8.984 0.862
84 1HG LYS 13 2HG LYS 13 -12.513 9.269 -1.584
85 2HG LYS 13 1HG LYS 13 -12.805 10.889 -0.949
86 1HD LYS 13 2HD LYS 13 -10.531 11.305 -0.635
87 2HD LYS 13 1HD LYS 13 -10.115 9.591 -0.683
88 1HE LYS 13 2HE LYS 13 -9.509 9.989 -2.802
89 2HE LYS 13 1HE LYS 13 -11.239 9.975 -3.144
90 1HZ LYS 13 1HZ LYS 13 -11.328 12.255 -3.245
91 2HZ LYS 13 2HZ LYS 13 -9.795 11.967 -3.900
92 3HZ LYS 13 3HZ LYS 13 -9.946 12.477 -2.294
93 H CYS 14 H CYS 14 -14.117 5.892 0.701
94 HA CYS 14 HA CYS 14 -12.287 5.060 2.703
95 1HB CYS 14 2HB CYS 14 -14.789 6.084 3.641
96 2HB CYS 14 1HB CYS 14 -14.717 4.358 3.961
97 H SER 15 H SER 15 -12.830 4.149 0.131
98 HA SER 15 HA SER 15 -13.437 1.380 0.707
99 1HB SER 15 2HB SER 15 -15.092 2.863 -1.344
100 2HB SER 15 1HB SER 15 -15.182 1.142 -0.984
101 HG SER 15 HG SER 15 -16.626 1.727 0.422
102 H VAL 16 H VAL 16 -12.224 0.071 -0.471
103 HA VAL 16 HA VAL 16 -11.436 0.599 -3.159
104 HB VAL 16 HB VAL 16 -9.846 2.092 -2.059
105 1HG1 VAL 16 1HG1 VAL 16 -8.220 1.295 -0.465
106 2HG1 VAL 16 2HG1 VAL 16 -8.872 -0.340 -0.567
107 3HG1 VAL 16 3HG1 VAL 16 -9.846 0.958 0.130
108 1HG2 VAL 16 1HG2 VAL 16 -8.230 -0.304 -2.837
109 2HG2 VAL 16 2HG2 VAL 16 -7.955 1.398 -3.210
110 3HG2 VAL 16 3HG2 VAL 16 -9.240 0.512 -4.030
111 H ASN 17 H ASN 17 -11.120 -1.292 -4.145
112 HA ASN 17 HA ASN 17 -10.738 -3.696 -2.479
113 1HB ASN 17 2HB ASN 17 -11.883 -3.442 -5.276
114 2HB ASN 17 1HB ASN 17 -11.739 -4.940 -4.359
115 1HD2 ASN 17 1HD2 ASN 17 -13.969 -5.260 -4.478
116 2HD2 ASN 17 2HD2 ASN 17 -15.072 -4.353 -3.505
117 H TRP 18 H TRP 18 -9.008 -5.028 -2.819
118 HA TRP 18 HA TRP 18 -6.915 -5.677 -3.510
119 1HB TRP 18 2HB TRP 18 -8.564 -6.026 -5.612
120 2HB TRP 18 1HB TRP 18 -7.461 -4.852 -6.324
121 HD1 TRP 18 HD TRP 18 -4.868 -5.612 -6.569
122 HE1 TRP 18 1HE TRP 18 -3.806 -7.950 -6.735
123 HE3 TRP 18 3HE TRP 18 -8.793 -8.415 -4.874
124 HZ2 TRP 18 2HZ TRP 18 -4.534 -10.625 -6.221
125 HZ3 TRP 18 3HZ TRP 18 -8.528 -10.856 -4.743
126 HH2 TRP 18 HH TRP 18 -6.442 -11.937 -5.403
127 H GLY 19 H GLY 19 -7.204 -2.964 -2.626
128 1HA GLY 19 2HA GLY 19 -5.173 -1.582 -4.290
129 2HA GLY 19 1HA GLY 19 -6.369 -0.766 -3.296
130 H GLN 20 H GLN 20 -6.178 -2.217 -0.943
131 HA GLN 20 HA GLN 20 -3.860 -1.024 0.205
132 1HB GLN 20 2HB GLN 20 -6.301 -1.955 1.155
133 2HB GLN 20 1HB GLN 20 -5.126 -3.054 1.866
134 1HG GLN 20 2HG GLN 20 -4.876 -1.525 3.455
135 2HG GLN 20 1HG GLN 20 -3.978 -0.591 2.261
136 1HE2 GLN 20 1HE2 GLN 20 -5.889 0.031 4.567
137 2HE2 GLN 20 2HE2 GLN 20 -6.984 1.179 3.884
138 H ALA 21 H ALA 21 -4.712 -4.261 -0.821
139 HA ALA 21 HA ALA 21 -2.492 -5.592 0.361
140 1HB ALA 21 1HB ALA 21 -3.171 -7.492 -0.866
141 2HB ALA 21 2HB ALA 21 -4.013 -6.506 -2.062
142 3HB ALA 21 3HB ALA 21 -4.651 -6.642 -0.425
143 H PHE 22 H PHE 22 -3.138 -4.769 -3.056
144 HA PHE 22 HA PHE 22 -0.687 -5.506 -4.086
145 1HB PHE 22 2HB PHE 22 -2.673 -4.713 -5.431
146 2HB PHE 22 1HB PHE 22 -2.193 -3.064 -5.033
147 HD1 PHE 22 1HD PHE 22 -1.185 -2.010 -6.734
148 HD2 PHE 22 2HD PHE 22 -0.378 -6.127 -6.142
149 HE1 PHE 22 1HE PHE 22 0.438 -1.939 -8.551
150 HE2 PHE 22 2HE PHE 22 1.252 -6.075 -7.963
151 HZ PHE 22 HZ PHE 22 1.662 -3.978 -9.197
152 H GLN 23 H GLN 23 -1.489 -2.534 -2.352
153 HA GLN 23 HA GLN 23 0.893 -1.196 -3.219
154 1HB GLN 23 2HB GLN 23 -1.135 0.040 -2.524
155 2HB GLN 23 1HB GLN 23 -0.907 -0.537 -0.879
156 1HG GLN 23 2HG GLN 23 1.263 0.623 -0.800
157 2HG GLN 23 1HG GLN 23 0.964 1.248 -2.421
158 1HE2 GLN 23 1HE2 GLN 23 0.266 1.539 0.927
159 2HE2 GLN 23 2HE2 GLN 23 -0.712 2.959 0.829
160 H GLU 24 H GLU 24 -0.075 -2.996 -0.356
161 HA GLU 24 HA GLU 24 2.327 -2.507 1.102
162 1HB GLU 24 2HB GLU 24 -0.053 -3.344 1.883
163 2HB GLU 24 1HB GLU 24 0.635 -4.930 1.567
164 1HG GLU 24 2HG GLU 24 1.080 -4.633 3.804
165 2HG GLU 24 1HG GLU 24 2.586 -4.113 3.048
166 H ARG 25 H ARG 25 1.236 -4.858 -1.212
167 HA ARG 25 HA ARG 25 3.366 -6.717 -0.843
168 1HB ARG 25 2HB ARG 25 0.881 -6.709 -2.068
169 2HB ARG 25 1HB ARG 25 1.995 -6.760 -3.427
170 1HG ARG 25 2HG ARG 25 2.860 -8.799 -2.821
171 2HG ARG 25 1HG ARG 25 2.402 -8.605 -1.128
172 1HD ARG 25 2HD ARG 25 0.025 -8.563 -2.666
173 2HD ARG 25 1HD ARG 25 0.992 -9.928 -3.222
174 HE ARG 25 HE ARG 25 0.907 -9.851 -0.392
175 1HH1 ARG 25 1HH1 ARG 25 -1.033 -10.674 -3.175
176 2HH1 ARG 25 2HH1 ARG 25 -1.993 -11.831 -2.317
177 1HH2 ARG 25 1HH2 ARG 25 -0.351 -11.371 0.735
178 2HH2 ARG 25 2HH2 ARG 25 -1.607 -12.228 -0.096
179 H TYR 26 H TYR 26 2.515 -4.431 -3.428
180 HA TYR 26 HA TYR 26 4.908 -4.838 -4.893
181 1HB TYR 26 2HB TYR 26 3.833 -3.698 -6.492
182 2HB TYR 26 1HB TYR 26 2.462 -3.867 -5.412
183 HD1 TYR 26 1HD TYR 26 1.347 -2.021 -4.658
184 HD2 TYR 26 2HD TYR 26 5.160 -1.489 -6.352
185 HE1 TYR 26 1HE TYR 26 0.938 0.380 -4.689
186 HE2 TYR 26 2HE TYR 26 4.811 0.924 -6.355
187 HH TYR 26 HH TYR 26 2.448 2.466 -6.429
188 H THR 27 H THR 27 3.832 -1.908 -3.094
189 HA THR 27 HA THR 27 6.202 -0.492 -3.409
190 HB THR 27 HB THR 27 4.591 -0.337 -0.872
191 HG1 THR 27 1HG THR 27 3.647 1.300 -2.788
192 1HG2 THR 27 1HG2 THR 27 5.536 1.634 -0.563
193 2HG2 THR 27 2HG2 THR 27 5.178 2.147 -2.211
194 3HG2 THR 27 3HG2 THR 27 6.644 1.228 -1.872
195 H ALA 28 H ALA 28 5.433 -3.085 -1.206
196 HA ALA 28 HA ALA 28 7.624 -2.757 0.549
197 1HB ALA 28 1HB ALA 28 5.958 -4.155 1.368
198 2HB ALA 28 2HB ALA 28 7.237 -5.284 0.923
199 3HB ALA 28 3HB ALA 28 5.845 -5.066 -0.138
200 H GLY 29 H GLY 29 7.204 -4.703 -2.396
201 1HA GLY 29 2HA GLY 29 9.900 -5.726 -2.307
202 2HA GLY 29 1HA GLY 29 8.745 -5.928 -3.618
203 H ILE 30 H ILE 30 8.180 -3.285 -4.226
204 HA ILE 30 HA ILE 30 10.303 -2.627 -5.943
205 HB ILE 30 HB ILE 30 8.012 -0.886 -5.008
206 1HG1 ILE 30 2HG1 ILE 30 7.304 -2.986 -6.087
207 2HG1 ILE 30 1HG1 ILE 30 6.912 -1.582 -7.072
208 1HG2 ILE 30 1HG2 ILE 30 9.948 -0.572 -7.294
209 2HG2 ILE 30 2HG2 ILE 30 9.682 0.532 -5.946
210 3HG2 ILE 30 3HG2 ILE 30 8.431 0.317 -7.170
211 1HD1 ILE 30 1HD1 ILE 30 9.412 -2.345 -7.964
212 2HD1 ILE 30 2HD1 ILE 30 7.867 -2.654 -8.755
213 3HD1 ILE 30 3HD1 ILE 30 8.566 -3.865 -7.682
214 H ASN 31 H ASN 31 9.415 -1.482 -2.727
215 HA ASN 31 HA ASN 31 11.267 0.670 -2.651
216 1HB ASN 31 2HB ASN 31 9.334 0.483 -1.088
217 2HB ASN 31 1HB ASN 31 10.123 -0.896 -0.316
218 1HD2 ASN 31 1HD2 ASN 31 9.822 2.465 -0.433
219 2HD2 ASN 31 2HD2 ASN 31 11.076 2.863 0.687
220 H SER 32 H SER 32 11.375 -2.704 -1.592
221 HA SER 32 HA SER 32 13.935 -2.618 -0.440
222 1HB SER 32 2HB SER 32 12.227 -4.841 -1.535
223 2HB SER 32 1HB SER 32 13.871 -5.165 -0.983
224 HG SER 32 HG SER 32 11.697 -4.974 0.485
225 H PHE 33 H PHE 33 12.861 -3.188 -3.745
226 HA PHE 33 HA PHE 33 15.254 -4.106 -4.842
227 1HB PHE 33 2HB PHE 33 13.941 -4.168 -6.658
228 2HB PHE 33 1HB PHE 33 12.713 -3.259 -5.799
229 HD1 PHE 33 1HD PHE 33 11.943 -1.341 -6.796
230 HD2 PHE 33 2HD PHE 33 15.896 -2.630 -7.644
231 HE1 PHE 33 1HE PHE 33 12.190 0.495 -8.394
232 HE2 PHE 33 2HE PHE 33 16.150 -0.795 -9.255
233 HZ PHE 33 HZ PHE 33 14.293 0.773 -9.631
234 H VAL 34 H VAL 34 14.144 -0.834 -4.162
235 HA VAL 34 HA VAL 34 16.216 0.625 -5.400
236 HB VAL 34 HB VAL 34 14.913 1.482 -2.836
237 1HG1 VAL 34 1HG1 VAL 34 16.730 2.821 -3.906
238 2HG1 VAL 34 2HG1 VAL 34 15.203 3.678 -3.686
239 3HG1 VAL 34 3HG1 VAL 34 15.652 3.069 -5.279
240 1HG2 VAL 34 1HG2 VAL 34 13.139 2.480 -4.398
241 2HG2 VAL 34 2HG2 VAL 34 13.030 0.763 -4.018
242 3HG2 VAL 34 3HG2 VAL 34 13.690 1.282 -5.568
243 H SER 35 H SER 35 15.850 -0.199 -1.976
244 HA SER 35 HA SER 35 18.393 0.644 -1.185
245 1HB SER 35 2HB SER 35 17.081 -1.731 0.095
246 2HB SER 35 1HB SER 35 17.987 -0.421 0.852
247 HG SER 35 HG SER 35 15.462 -0.549 0.813
248 H GLY 36 H GLY 36 17.274 -2.493 -2.377
249 1HA GLY 36 2HA GLY 36 19.624 -3.964 -1.994
250 2HA GLY 36 1HA GLY 36 18.416 -4.293 -3.227
251 H VAL 37 H VAL 37 18.602 -1.956 -4.739
252 HA VAL 37 HA VAL 37 21.009 -2.511 -6.236
253 HB VAL 37 HB VAL 37 20.189 -0.894 -7.852
254 1HG1 VAL 37 1HG1 VAL 37 19.170 -2.836 -8.401
255 2HG1 VAL 37 2HG1 VAL 37 17.726 -1.906 -7.998
256 3HG1 VAL 37 3HG1 VAL 37 18.416 -3.024 -6.817
257 1HG2 VAL 37 1HG2 VAL 37 18.220 0.431 -7.543
258 2HG2 VAL 37 2HG2 VAL 37 19.294 0.734 -6.178
259 3HG2 VAL 37 3HG2 VAL 37 17.892 -0.318 -5.982
260 H ALA 38 H ALA 38 19.877 -0.147 -3.965
261 HA ALA 38 HA ALA 38 21.840 1.849 -4.565
262 1HB ALA 38 1HB ALA 38 20.006 2.808 -3.604
263 2HB ALA 38 2HB ALA 38 21.017 2.610 -2.172
264 3HB ALA 38 3HB ALA 38 19.732 1.452 -2.511
265 H SER 39 H SER 39 21.727 -0.994 -2.578
266 HA SER 39 HA SER 39 23.882 -0.254 -0.840
267 1HB SER 39 2HB SER 39 21.976 -2.114 -0.617
268 2HB SER 39 1HB SER 39 23.245 -3.127 -1.304
269 HG SER 39 HG SER 39 23.156 -1.797 1.156
270 H GLY 40 H GLY 40 23.593 -2.372 -3.687
271 1HA GLY 40 2HA GLY 40 25.577 -2.021 -5.242
272 2HA GLY 40 1HA GLY 40 26.548 -2.423 -3.836
273 H ALA 41 H ALA 41 23.519 -3.932 -4.893
274 HA ALA 41 HA ALA 41 23.007 -6.080 -5.465
275 1HB ALA 41 1HB ALA 41 25.790 -5.858 -6.545
276 2HB ALA 41 2HB ALA 41 24.258 -5.826 -7.418
277 3HB ALA 41 3HB ALA 41 24.839 -7.333 -6.709
278 H GLY 42 H GLY 42 24.303 -5.438 -2.851
279 1HA GLY 42 2HA GLY 42 26.031 -7.422 -1.966
280 2HA GLY 42 1HA GLY 42 24.873 -6.585 -0.945
281 H SER 43 H SER 43 22.517 -7.409 -1.376
282 HA SER 43 HA SER 43 21.013 -9.096 -1.126
283 1HB SER 43 2HB SER 43 21.570 -9.785 -3.366
284 2HB SER 43 1HB SER 43 23.038 -10.588 -2.808
285 HG SER 43 HG SER 43 20.533 -11.545 -2.949
286 H ILE 44 H ILE 44 21.929 -8.815 1.151
287 HA ILE 44 HA ILE 44 23.242 -11.281 2.093
288 HB ILE 44 HB ILE 44 22.877 -8.696 3.612
289 1HG1 ILE 44 2HG1 ILE 44 25.502 -9.586 2.481
290 2HG1 ILE 44 1HG1 ILE 44 24.359 -8.757 1.429
291 1HG2 ILE 44 1HG2 ILE 44 23.463 -11.189 4.562
292 2HG2 ILE 44 2HG2 ILE 44 23.907 -9.672 5.345
293 3HG2 ILE 44 3HG2 ILE 44 25.068 -10.503 4.309
294 1HD1 ILE 44 1HD1 ILE 44 25.195 -6.854 2.179
295 2HD1 ILE 44 2HD1 ILE 44 26.128 -7.686 3.423
296 3HD1 ILE 44 3HD1 ILE 44 24.458 -7.214 3.740
297 H GLY 45 H GLY 45 20.563 -11.506 1.420
298 1HA GLY 45 2HA GLY 45 19.206 -11.584 4.056
299 2HA GLY 45 1HA GLY 45 18.374 -11.405 2.520
300 H ARG 46 H ARG 46 21.022 -13.652 3.000
301 HA ARG 46 HA ARG 46 19.108 -15.883 3.058
302 1HB ARG 46 2HB ARG 46 21.455 -15.555 1.188
303 2HB ARG 46 1HB ARG 46 20.688 -17.107 1.490
304 1HG ARG 46 2HG ARG 46 19.235 -14.693 0.433
305 2HG ARG 46 1HG ARG 46 19.925 -15.959 -0.581
306 1HD ARG 46 2HD ARG 46 18.042 -17.110 -0.345
307 2HD ARG 46 1HD ARG 46 18.395 -17.271 1.375
308 HE ARG 46 HE ARG 46 17.222 -14.781 1.013
309 1HH1 ARG 46 1HH1 ARG 46 16.347 -18.135 0.618
310 2HH1 ARG 46 2HH1 ARG 46 14.666 -17.864 0.927
311 1HH2 ARG 46 1HH2 ARG 46 15.007 -14.420 1.418
312 2HH2 ARG 46 2HH2 ARG 46 13.904 -15.755 1.380
313 H ARG 47 H ARG 47 20.443 -18.025 3.413
314 HA ARG 47 HA ARG 47 22.679 -17.564 5.252
315 1HB ARG 47 2HB ARG 47 20.277 -19.270 5.946
316 2HB ARG 47 1HB ARG 47 21.728 -19.090 6.919
317 1HG ARG 47 2HG ARG 47 21.200 -16.906 7.526
318 2HG ARG 47 1HG ARG 47 20.043 -16.720 6.212
319 1HD ARG 47 2HD ARG 47 18.657 -17.011 8.036
320 2HD ARG 47 1HD ARG 47 18.770 -18.645 7.384
321 HE ARG 47 HE ARG 47 20.793 -18.452 9.234
322 1HH1 ARG 47 1HH1 ARG 47 17.320 -18.110 9.263
323 2HH1 ARG 47 2HH1 ARG 47 17.157 -18.636 10.905
324 1HH2 ARG 47 1HH2 ARG 47 20.581 -19.145 11.391
325 2HH2 ARG 47 2HH2 ARG 47 19.008 -19.223 12.114
326 HA PRO 48 HA PRO 48 23.077 -21.353 2.485
327 1HB PRO 48 2HB PRO 48 24.910 -20.487 0.729
328 2HB PRO 48 1HB PRO 48 23.187 -20.154 0.506
329 1HG PRO 48 2HG PRO 48 25.334 -18.374 1.600
330 2HG PRO 48 1HG PRO 48 24.039 -17.987 0.451
331 1HD PRO 48 2HD PRO 48 23.918 -17.404 3.121
332 2HD PRO 48 1HD PRO 48 22.491 -17.694 2.112
Start of MODEL 8
1 H VAL 1 H VAL 1 -3.780 5.829 -3.596
2 HA VAL 1 HA VAL 1 -5.113 6.661 -1.673
3 HB VAL 1 HB VAL 1 -3.576 5.114 -0.871
4 1HG1 VAL 1 1HG1 VAL 1 -1.831 5.542 -2.534
5 2HG1 VAL 1 2HG1 VAL 1 -1.399 7.068 -1.726
6 3HG1 VAL 1 3HG1 VAL 1 -1.105 5.514 -0.910
7 1HG2 VAL 1 1HG2 VAL 1 -4.061 6.745 0.903
8 2HG2 VAL 1 2HG2 VAL 1 -2.384 6.167 1.050
9 3HG2 VAL 1 3HG2 VAL 1 -2.713 7.770 0.352
10 H ASN 2 H ASN 2 -4.039 8.965 -3.420
11 HA ASN 2 HA ASN 2 -3.178 10.906 -1.496
12 1HB ASN 2 2HB ASN 2 -4.078 11.417 -4.335
13 2HB ASN 2 1HB ASN 2 -3.108 12.482 -3.322
14 1HD2 ASN 2 1HD2 ASN 2 -3.105 9.771 -5.442
15 2HD2 ASN 2 2HD2 ASN 2 -1.395 9.519 -5.471
16 H TYR 3 H TYR 3 -5.166 10.409 -0.121
17 HA TYR 3 HA TYR 3 -7.669 11.505 -1.073
18 1HB TYR 3 2HB TYR 3 -6.747 9.992 1.269
19 2HB TYR 3 1HB TYR 3 -7.927 11.234 1.676
20 HD1 TYR 3 1HD TYR 3 -9.955 11.311 -0.114
21 HD2 TYR 3 2HD TYR 3 -7.602 7.896 0.824
22 HE1 TYR 3 1HE TYR 3 -11.764 9.855 -0.914
23 HE2 TYR 3 2HE TYR 3 -9.407 6.430 0.031
24 HH TYR 3 HH TYR 3 -11.994 7.530 -1.806
25 H GLY 4 H GLY 4 -6.528 13.628 -1.570
26 1HA GLY 4 2HA GLY 4 -6.575 15.368 0.837
27 2HA GLY 4 1HA GLY 4 -5.413 15.576 -0.462
28 H ASN 5 H ASN 5 -8.893 14.947 -0.647
29 HA ASN 5 HA ASN 5 -10.595 16.121 -1.569
30 1HB ASN 5 2HB ASN 5 -9.950 17.842 0.087
31 2HB ASN 5 1HB ASN 5 -8.833 18.539 -1.083
32 1HD2 ASN 5 1HD2 ASN 5 -9.575 20.022 -2.449
33 2HD2 ASN 5 2HD2 ASN 5 -11.239 20.432 -2.674
34 H GLY 6 H GLY 6 -9.005 14.860 -3.352
35 1HA GLY 6 2HA GLY 6 -9.615 16.029 -5.778
36 2HA GLY 6 1HA GLY 6 -7.991 16.574 -5.393
37 H VAL 7 H VAL 7 -9.767 13.499 -5.125
38 HA VAL 7 HA VAL 7 -7.414 12.069 -6.050
39 HB VAL 7 HB VAL 7 -8.629 11.150 -4.153
40 1HG1 VAL 7 1HG1 VAL 7 -10.944 10.981 -6.067
41 2HG1 VAL 7 2HG1 VAL 7 -10.854 11.902 -4.569
42 3HG1 VAL 7 3HG1 VAL 7 -10.882 10.139 -4.519
43 1HG2 VAL 7 1HG2 VAL 7 -7.460 9.713 -5.893
44 2HG2 VAL 7 2HG2 VAL 7 -9.070 9.307 -6.483
45 3HG2 VAL 7 3HG2 VAL 7 -8.608 8.898 -4.832
46 H SER 8 H SER 8 -10.686 12.816 -7.110
47 HA SER 8 HA SER 8 -11.695 12.718 -9.151
48 1HB SER 8 2HB SER 8 -9.436 13.732 -9.829
49 2HB SER 8 1HB SER 8 -9.008 12.112 -10.377
50 HG SER 8 HG SER 8 -10.152 13.800 -11.836
51 H CYS 9 H CYS 9 -12.953 10.906 -9.041
52 HA CYS 9 HA CYS 9 -11.721 8.296 -9.455
53 1HB CYS 9 2HB CYS 9 -14.250 9.267 -8.279
54 2HB CYS 9 1HB CYS 9 -14.368 7.745 -9.163
55 H SER 10 H SER 10 -13.111 6.736 -10.835
56 HA SER 10 HA SER 10 -13.967 8.117 -13.287
57 1HB SER 10 2HB SER 10 -12.938 5.908 -14.362
58 2HB SER 10 1HB SER 10 -11.959 7.346 -14.070
59 HG SER 10 HG SER 10 -10.783 6.085 -12.883
60 H LYS 11 H LYS 11 -15.524 6.915 -11.071
61 HA LYS 11 HA LYS 11 -17.401 5.515 -12.705
62 1HB LYS 11 2HB LYS 11 -15.479 3.875 -11.647
63 2HB LYS 11 1HB LYS 11 -16.750 3.762 -10.441
64 1HG LYS 11 2HG LYS 11 -18.310 2.970 -12.059
65 2HG LYS 11 1HG LYS 11 -17.198 3.324 -13.384
66 1HD LYS 11 2HD LYS 11 -15.739 1.586 -12.763
67 2HD LYS 11 1HD LYS 11 -16.498 1.405 -11.181
68 1HE LYS 11 2HE LYS 11 -18.037 0.922 -13.708
69 2HE LYS 11 1HE LYS 11 -17.018 -0.334 -13.008
70 1HZ LYS 11 1HZ LYS 11 -18.285 -0.170 -10.957
71 2HZ LYS 11 2HZ LYS 11 -19.301 -0.535 -12.258
72 3HZ LYS 11 3HZ LYS 11 -19.266 1.034 -11.631
73 H THR 12 H THR 12 -19.075 4.388 -10.974
74 HA THR 12 HA THR 12 -19.986 6.657 -9.408
75 HB THR 12 HB THR 12 -22.094 5.507 -9.244
76 HG1 THR 12 1HG THR 12 -22.284 3.416 -9.496
77 1HG2 THR 12 1HG2 THR 12 -21.809 6.545 -11.391
78 2HG2 THR 12 2HG2 THR 12 -22.653 5.008 -11.588
79 3HG2 THR 12 3HG2 THR 12 -20.943 5.132 -11.998
80 H LYS 13 H LYS 13 -19.060 3.270 -8.929
81 HA LYS 13 HA LYS 13 -19.483 3.432 -6.081
82 1HB LYS 13 2HB LYS 13 -18.095 1.256 -7.654
83 2HB LYS 13 1HB LYS 13 -18.691 1.140 -6.004
84 1HG LYS 13 2HG LYS 13 -20.972 1.349 -6.769
85 2HG LYS 13 1HG LYS 13 -20.421 1.594 -8.427
86 1HD LYS 13 2HD LYS 13 -21.134 -0.682 -8.199
87 2HD LYS 13 1HD LYS 13 -19.376 -0.669 -8.341
88 1HE LYS 13 2HE LYS 13 -19.155 -1.676 -6.371
89 2HE LYS 13 1HE LYS 13 -20.157 -0.458 -5.581
90 1HZ LYS 13 1HZ LYS 13 -21.501 -2.501 -7.187
91 2HZ LYS 13 2HZ LYS 13 -22.014 -1.729 -5.772
92 3HZ LYS 13 3HZ LYS 13 -20.871 -2.972 -5.688
93 H CYS 14 H CYS 14 -16.581 2.698 -8.026
94 HA CYS 14 HA CYS 14 -14.373 3.075 -7.636
95 1HB CYS 14 2HB CYS 14 -15.593 5.497 -7.510
96 2HB CYS 14 1HB CYS 14 -14.823 5.437 -5.931
97 H SER 15 H SER 15 -15.157 1.160 -6.057
98 HA SER 15 HA SER 15 -14.772 1.694 -3.268
99 1HB SER 15 2HB SER 15 -16.086 -0.256 -4.485
100 2HB SER 15 1HB SER 15 -14.514 -1.059 -4.417
101 HG SER 15 HG SER 15 -16.122 -1.245 -2.562
102 H VAL 16 H VAL 16 -13.114 -0.768 -2.871
103 HA VAL 16 HA VAL 16 -10.578 -0.246 -4.085
104 HB VAL 16 HB VAL 16 -10.619 1.605 -2.467
105 1HG1 VAL 16 1HG1 VAL 16 -10.943 1.338 -0.174
106 2HG1 VAL 16 2HG1 VAL 16 -10.679 -0.402 -0.241
107 3HG1 VAL 16 3HG1 VAL 16 -12.165 0.290 -0.897
108 1HG2 VAL 16 1HG2 VAL 16 -8.486 0.442 -2.983
109 2HG2 VAL 16 2HG2 VAL 16 -8.737 -0.577 -1.567
110 3HG2 VAL 16 3HG2 VAL 16 -8.512 1.161 -1.374
111 H ASN 17 H ASN 17 -10.063 -2.282 -4.434
112 HA ASN 17 HA ASN 17 -10.213 -4.186 -2.182
113 1HB ASN 17 2HB ASN 17 -10.649 -4.705 -5.137
114 2HB ASN 17 1HB ASN 17 -10.491 -5.970 -3.920
115 1HD2 ASN 17 1HD2 ASN 17 -12.609 -4.014 -5.573
116 2HD2 ASN 17 2HD2 ASN 17 -14.007 -4.233 -4.582
117 H TRP 18 H TRP 18 -8.492 -3.265 -5.153
118 HA TRP 18 HA TRP 18 -6.167 -4.835 -4.245
119 1HB TRP 18 2HB TRP 18 -7.204 -4.011 -6.877
120 2HB TRP 18 1HB TRP 18 -5.463 -3.792 -6.699
121 HD1 TRP 18 HD TRP 18 -3.975 -5.988 -6.333
122 HE1 TRP 18 1HE TRP 18 -4.452 -8.484 -6.739
123 HE3 TRP 18 3HE TRP 18 -9.050 -5.765 -6.872
124 HZ2 TRP 18 2HZ TRP 18 -6.685 -10.138 -7.232
125 HZ3 TRP 18 3HZ TRP 18 -10.283 -7.848 -7.307
126 HH2 TRP 18 HH TRP 18 -9.124 -9.989 -7.482
127 H GLY 19 H GLY 19 -6.908 -2.439 -2.892
128 1HA GLY 19 2HA GLY 19 -4.884 -0.472 -3.726
129 2HA GLY 19 1HA GLY 19 -6.183 -0.203 -2.571
130 H GLN 20 H GLN 20 -6.027 -1.871 -0.650
131 HA GLN 20 HA GLN 20 -3.679 -1.186 0.768
132 1HB GLN 20 2HB GLN 20 -5.840 -1.557 1.863
133 2HB GLN 20 1HB GLN 20 -5.789 -3.253 1.408
134 1HG GLN 20 2HG GLN 20 -4.915 -3.585 3.425
135 2HG GLN 20 1HG GLN 20 -3.423 -2.947 2.734
136 1HE2 GLN 20 1HE2 GLN 20 -5.394 -2.729 5.303
137 2HE2 GLN 20 2HE2 GLN 20 -5.074 -1.106 5.804
138 H ALA 21 H ALA 21 -4.691 -4.091 -0.929
139 HA ALA 21 HA ALA 21 -2.570 -5.755 -0.015
140 1HB ALA 21 1HB ALA 21 -4.031 -6.171 -2.598
141 2HB ALA 21 2HB ALA 21 -4.828 -6.424 -1.045
142 3HB ALA 21 3HB ALA 21 -3.403 -7.372 -1.467
143 H PHE 22 H PHE 22 -3.118 -4.471 -3.298
144 HA PHE 22 HA PHE 22 -0.678 -5.153 -4.360
145 1HB PHE 22 2HB PHE 22 -2.629 -4.148 -5.622
146 2HB PHE 22 1HB PHE 22 -2.079 -2.570 -5.061
147 HD1 PHE 22 1HD PHE 22 -1.023 -1.394 -6.654
148 HD2 PHE 22 2HD PHE 22 -0.389 -5.586 -6.456
149 HE1 PHE 22 1HE PHE 22 0.628 -1.219 -8.439
150 HE2 PHE 22 2HE PHE 22 1.266 -5.428 -8.245
151 HZ PHE 22 HZ PHE 22 1.779 -3.238 -9.264
152 H GLN 23 H GLN 23 -1.378 -2.317 -2.365
153 HA GLN 23 HA GLN 23 1.082 -1.020 -3.064
154 1HB GLN 23 2HB GLN 23 -1.182 -0.046 -2.088
155 2HB GLN 23 1HB GLN 23 -0.370 -0.321 -0.553
156 1HG GLN 23 2HG GLN 23 1.135 1.340 -0.900
157 2HG GLN 23 1HG GLN 23 1.150 1.113 -2.647
158 1HE2 GLN 23 1HE2 GLN 23 1.085 3.563 -2.346
159 2HE2 GLN 23 2HE2 GLN 23 -0.482 4.288 -2.345
160 H GLU 24 H GLU 24 -0.023 -3.080 -0.447
161 HA GLU 24 HA GLU 24 2.362 -2.781 1.120
162 1HB GLU 24 2HB GLU 24 -0.025 -3.520 1.863
163 2HB GLU 24 1HB GLU 24 0.475 -5.115 1.320
164 1HG GLU 24 2HG GLU 24 1.039 -5.244 3.516
165 2HG GLU 24 1HG GLU 24 2.550 -4.623 2.854
166 H ARG 25 H ARG 25 1.235 -4.829 -1.433
167 HA ARG 25 HA ARG 25 3.290 -6.816 -1.185
168 1HB ARG 25 2HB ARG 25 0.829 -6.599 -2.481
169 2HB ARG 25 1HB ARG 25 2.000 -6.623 -3.792
170 1HG ARG 25 2HG ARG 25 2.994 -8.669 -2.592
171 2HG ARG 25 1HG ARG 25 1.466 -8.709 -1.711
172 1HD ARG 25 2HD ARG 25 0.322 -8.687 -3.970
173 2HD ARG 25 1HD ARG 25 1.912 -8.984 -4.675
174 HE ARG 25 HE ARG 25 1.689 -11.166 -4.075
175 1HH1 ARG 25 1HH1 ARG 25 -0.404 -9.265 -2.028
176 2HH1 ARG 25 2HH1 ARG 25 -1.064 -10.641 -1.212
177 1HH2 ARG 25 1HH2 ARG 25 0.821 -12.977 -3.004
178 2HH2 ARG 25 2HH2 ARG 25 -0.369 -12.749 -1.766
179 H TYR 26 H TYR 26 2.560 -4.235 -3.522
180 HA TYR 26 HA TYR 26 5.000 -4.586 -4.965
181 1HB TYR 26 2HB TYR 26 3.989 -3.327 -6.510
182 2HB TYR 26 1HB TYR 26 2.575 -3.544 -5.495
183 HD1 TYR 26 1HD TYR 26 5.338 -1.159 -6.208
184 HD2 TYR 26 2HD TYR 26 1.486 -1.719 -4.600
185 HE1 TYR 26 1HE TYR 26 5.027 1.263 -6.070
186 HE2 TYR 26 2HE TYR 26 1.127 0.679 -4.474
187 HH TYR 26 HH TYR 26 2.643 2.727 -4.278
188 H THR 27 H THR 27 3.852 -1.809 -2.957
189 HA THR 27 HA THR 27 6.246 -0.383 -3.055
190 HB THR 27 HB THR 27 4.535 -0.384 -0.590
191 HG1 THR 27 1HG THR 27 2.887 0.251 -1.686
192 1HG2 THR 27 1HG2 THR 27 5.338 2.100 -1.948
193 2HG2 THR 27 2HG2 THR 27 6.626 1.169 -1.184
194 3HG2 THR 27 3HG2 THR 27 5.247 1.715 -0.229
195 H ALA 28 H ALA 28 5.530 -3.288 -1.363
196 HA ALA 28 HA ALA 28 7.637 -2.958 0.578
197 1HB ALA 28 1HB ALA 28 5.871 -5.267 -0.198
198 2HB ALA 28 2HB ALA 28 5.866 -4.336 1.299
199 3HB ALA 28 3HB ALA 28 7.192 -5.448 0.955
200 H GLY 29 H GLY 29 7.147 -4.895 -2.366
201 1HA GLY 29 2HA GLY 29 9.813 -5.950 -2.370
202 2HA GLY 29 1HA GLY 29 8.647 -6.058 -3.683
203 H ILE 30 H ILE 30 8.170 -3.393 -4.212
204 HA ILE 30 HA ILE 30 10.315 -2.735 -5.888
205 HB ILE 30 HB ILE 30 8.118 -0.914 -4.879
206 1HG1 ILE 30 2HG1 ILE 30 7.241 -2.906 -6.005
207 2HG1 ILE 30 1HG1 ILE 30 6.995 -1.473 -6.996
208 1HG2 ILE 30 1HG2 ILE 30 9.568 0.594 -5.807
209 2HG2 ILE 30 2HG2 ILE 30 8.657 0.121 -7.241
210 3HG2 ILE 30 3HG2 ILE 30 10.245 -0.582 -6.935
211 1HD1 ILE 30 1HD1 ILE 30 9.378 -2.345 -7.931
212 2HD1 ILE 30 2HD1 ILE 30 7.811 -2.751 -8.631
213 3HD1 ILE 30 3HD1 ILE 30 8.592 -3.866 -7.509
214 H ASN 31 H ASN 31 9.369 -1.409 -2.711
215 HA ASN 31 HA ASN 31 11.382 0.549 -2.581
216 1HB ASN 31 2HB ASN 31 9.375 0.355 -1.047
217 2HB ASN 31 1HB ASN 31 10.251 -0.918 -0.191
218 1HD2 ASN 31 1HD2 ASN 31 9.910 2.449 -0.732
219 2HD2 ASN 31 2HD2 ASN 31 11.105 2.981 0.397
220 H SER 32 H SER 32 11.378 -2.873 -1.727
221 HA SER 32 HA SER 32 13.912 -2.848 -0.444
222 1HB SER 32 2HB SER 32 12.614 -4.703 0.127
223 2HB SER 32 1HB SER 32 12.137 -5.006 -1.545
224 HG SER 32 HG SER 32 13.752 -6.328 -1.645
225 H PHE 33 H PHE 33 12.864 -3.417 -3.763
226 HA PHE 33 HA PHE 33 15.293 -4.346 -4.824
227 1HB PHE 33 2HB PHE 33 13.841 -4.548 -6.540
228 2HB PHE 33 1HB PHE 33 12.747 -3.359 -5.846
229 HD1 PHE 33 1HD PHE 33 12.919 -0.999 -6.463
230 HD2 PHE 33 2HD PHE 33 15.444 -3.927 -8.235
231 HE1 PHE 33 1HE PHE 33 13.532 0.605 -8.210
232 HE2 PHE 33 2HE PHE 33 16.058 -2.323 -10.000
233 HZ PHE 33 HZ PHE 33 15.101 -0.055 -9.989
234 H VAL 34 H VAL 34 14.129 -1.117 -4.120
235 HA VAL 34 HA VAL 34 16.150 0.299 -5.519
236 HB VAL 34 HB VAL 34 14.735 1.411 -3.129
237 1HG1 VAL 34 1HG1 VAL 34 16.528 2.626 -4.476
238 2HG1 VAL 34 2HG1 VAL 34 15.006 3.472 -4.193
239 3HG1 VAL 34 3HG1 VAL 34 15.322 2.721 -5.757
240 1HG2 VAL 34 1HG2 VAL 34 13.559 0.512 -5.685
241 2HG2 VAL 34 2HG2 VAL 34 13.061 2.097 -5.107
242 3HG2 VAL 34 3HG2 VAL 34 12.820 0.677 -4.093
243 H SER 35 H SER 35 15.690 -0.084 -2.029
244 HA SER 35 HA SER 35 18.036 0.992 -1.129
245 1HB SER 35 2HB SER 35 16.652 -1.468 -0.047
246 2HB SER 35 1HB SER 35 17.825 -0.487 0.833
247 HG SER 35 HG SER 35 15.607 0.042 1.292
248 H GLY 36 H GLY 36 17.553 -2.477 -1.809
249 1HA GLY 36 2HA GLY 36 20.207 -3.277 -1.432
250 2HA GLY 36 1HA GLY 36 19.038 -4.117 -2.440
251 H VAL 37 H VAL 37 18.555 -2.356 -4.436
252 HA VAL 37 HA VAL 37 20.825 -2.673 -6.101
253 HB VAL 37 HB VAL 37 18.250 -1.138 -6.466
254 1HG1 VAL 37 1HG1 VAL 37 20.411 -1.612 -8.515
255 2HG1 VAL 37 2HG1 VAL 37 19.960 -0.055 -7.822
256 3HG1 VAL 37 3HG1 VAL 37 18.817 -0.933 -8.837
257 1HG2 VAL 37 1HG2 VAL 37 18.278 -3.676 -6.364
258 2HG2 VAL 37 2HG2 VAL 37 19.172 -3.622 -7.882
259 3HG2 VAL 37 3HG2 VAL 37 17.543 -2.947 -7.795
260 H ALA 38 H ALA 38 19.807 -0.176 -3.943
261 HA ALA 38 HA ALA 38 21.290 1.949 -5.187
262 1HB ALA 38 1HB ALA 38 19.415 2.625 -3.944
263 2HB ALA 38 2HB ALA 38 20.808 3.104 -2.975
264 3HB ALA 38 3HB ALA 38 19.890 1.660 -2.547
265 H SER 39 H SER 39 21.970 -0.545 -2.865
266 HA SER 39 HA SER 39 24.255 0.701 -1.695
267 1HB SER 39 2HB SER 39 23.111 -1.026 -0.459
268 2HB SER 39 1HB SER 39 23.364 -2.190 -1.759
269 HG SER 39 HG SER 39 25.371 -0.975 -0.160
270 H GLY 40 H GLY 40 23.738 -1.429 -4.441
271 1HA GLY 40 2HA GLY 40 25.418 -1.034 -6.257
272 2HA GLY 40 1HA GLY 40 26.641 -1.283 -5.022
273 H ALA 41 H ALA 41 23.661 -3.016 -5.930
274 HA ALA 41 HA ALA 41 25.092 -5.551 -5.711
275 1HB ALA 41 1HB ALA 41 23.001 -6.592 -5.611
276 2HB ALA 41 2HB ALA 41 22.186 -5.235 -6.388
277 3HB ALA 41 3HB ALA 41 22.773 -5.080 -4.733
278 H GLY 42 H GLY 42 23.601 -3.490 -8.117
279 1HA GLY 42 2HA GLY 42 25.005 -4.779 -10.248
280 2HA GLY 42 1HA GLY 42 23.292 -5.178 -10.267
281 H SER 43 H SER 43 21.896 -3.090 -9.851
282 HA SER 43 HA SER 43 21.039 -1.234 -10.843
283 1HB SER 43 2HB SER 43 22.783 0.679 -11.062
284 2HB SER 43 1HB SER 43 22.405 0.057 -9.457
285 HG SER 43 HG SER 43 24.584 0.083 -9.542
286 H ILE 44 H ILE 44 21.106 -2.953 -12.743
287 HA ILE 44 HA ILE 44 21.615 -1.441 -15.101
288 HB ILE 44 HB ILE 44 23.906 -2.224 -14.695
289 1HG1 ILE 44 2HG1 ILE 44 23.113 -3.915 -16.994
290 2HG1 ILE 44 1HG1 ILE 44 22.573 -2.240 -17.047
291 1HG2 ILE 44 1HG2 ILE 44 24.001 -4.879 -15.261
292 2HG2 ILE 44 2HG2 ILE 44 22.532 -4.782 -14.289
293 3HG2 ILE 44 3HG2 ILE 44 24.061 -4.194 -13.637
294 1HD1 ILE 44 1HD1 ILE 44 25.415 -3.183 -16.756
295 2HD1 ILE 44 2HD1 ILE 44 24.890 -1.500 -16.764
296 3HD1 ILE 44 3HD1 ILE 44 24.678 -2.497 -18.204
297 H GLY 45 H GLY 45 19.268 -2.207 -14.514
298 1HA GLY 45 2HA GLY 45 18.737 -4.655 -16.106
299 2HA GLY 45 1HA GLY 45 17.826 -4.258 -14.654
300 H ARG 46 H ARG 46 17.589 -1.471 -15.107
301 HA ARG 46 HA ARG 46 16.600 -0.760 -17.613
302 1HB ARG 46 2HB ARG 46 14.901 -2.521 -17.113
303 2HB ARG 46 1HB ARG 46 14.407 -1.592 -15.705
304 1HG ARG 46 2HG ARG 46 13.197 -0.163 -16.923
305 2HG ARG 46 1HG ARG 46 14.422 -0.052 -18.189
306 1HD ARG 46 2HD ARG 46 12.650 -2.459 -17.858
307 2HD ARG 46 1HD ARG 46 12.181 -1.068 -18.835
308 HE ARG 46 HE ARG 46 14.020 -3.119 -19.551
309 1HH1 ARG 46 1HH1 ARG 46 13.351 0.282 -19.959
310 2HH1 ARG 46 2HH1 ARG 46 14.173 0.389 -21.479
311 1HH2 ARG 46 1HH2 ARG 46 15.096 -2.980 -21.552
312 2HH2 ARG 46 2HH2 ARG 46 15.163 -1.462 -22.384
313 H ARG 47 H ARG 47 17.424 1.228 -17.229
314 HA ARG 47 HA ARG 47 17.170 2.643 -14.814
315 1HB ARG 47 2HB ARG 47 18.034 3.310 -17.580
316 2HB ARG 47 1HB ARG 47 17.632 4.647 -16.512
317 1HG ARG 47 2HG ARG 47 19.271 3.862 -14.891
318 2HG ARG 47 1HG ARG 47 19.660 2.495 -15.940
319 1HD ARG 47 2HD ARG 47 21.324 4.203 -16.243
320 2HD ARG 47 1HD ARG 47 20.338 4.102 -17.700
321 HE ARG 47 HE ARG 47 19.687 6.257 -17.347
322 1HH1 ARG 47 1HH1 ARG 47 20.907 4.979 -14.337
323 2HH1 ARG 47 2HH1 ARG 47 20.809 6.495 -13.509
324 1HH2 ARG 47 1HH2 ARG 47 19.560 8.252 -16.260
325 2HH2 ARG 47 2HH2 ARG 47 20.044 8.354 -14.600
326 HA PRO 48 HA PRO 48 13.611 5.060 -17.287
327 1HB PRO 48 2HB PRO 48 12.544 2.604 -18.596
328 2HB PRO 48 1HB PRO 48 12.558 4.271 -19.180
329 1HG PRO 48 2HG PRO 48 14.266 2.478 -20.155
330 2HG PRO 48 1HG PRO 48 14.769 4.154 -19.866
331 1HD PRO 48 2HD PRO 48 15.381 1.695 -18.301
332 2HD PRO 48 1HD PRO 48 16.382 3.130 -18.590
Start of MODEL 9
1 H VAL 1 H VAL 1 -28.088 7.032 -4.856
2 HA VAL 1 HA VAL 1 -25.714 7.731 -5.077
3 HB VAL 1 HB VAL 1 -25.203 6.459 -7.003
4 1HG1 VAL 1 1HG1 VAL 1 -26.296 4.992 -5.501
5 2HG1 VAL 1 2HG1 VAL 1 -27.890 5.721 -5.809
6 3HG1 VAL 1 3HG1 VAL 1 -27.122 4.702 -7.050
7 1HG2 VAL 1 1HG2 VAL 1 -27.767 7.658 -8.027
8 2HG2 VAL 1 2HG2 VAL 1 -26.184 7.513 -8.828
9 3HG2 VAL 1 3HG2 VAL 1 -27.240 6.088 -8.681
10 H ASN 2 H ASN 2 -26.999 10.209 -5.130
11 HA ASN 2 HA ASN 2 -26.508 11.527 -7.636
12 1HB ASN 2 2HB ASN 2 -28.240 12.094 -5.768
13 2HB ASN 2 1HB ASN 2 -26.907 13.003 -5.054
14 1HD2 ASN 2 1HD2 ASN 2 -28.822 12.609 -7.988
15 2HD2 ASN 2 2HD2 ASN 2 -28.646 14.239 -8.533
16 H TYR 3 H TYR 3 -24.124 10.740 -7.603
17 HA TYR 3 HA TYR 3 -22.384 12.276 -5.881
18 1HB TYR 3 2HB TYR 3 -22.018 10.102 -7.867
19 2HB TYR 3 1HB TYR 3 -20.643 11.167 -7.577
20 HD1 TYR 3 1HD TYR 3 -23.262 9.600 -5.416
21 HD2 TYR 3 2HD TYR 3 -19.119 10.239 -6.105
22 HE1 TYR 3 1HE TYR 3 -22.744 8.370 -3.364
23 HE2 TYR 3 2HE TYR 3 -18.585 8.997 -4.055
24 HH TYR 3 HH TYR 3 -20.360 8.530 -1.691
25 H GLY 4 H GLY 4 -23.363 12.384 -9.274
26 1HA GLY 4 2HA GLY 4 -21.488 14.089 -10.334
27 2HA GLY 4 1HA GLY 4 -23.171 14.070 -10.832
28 H ASN 5 H ASN 5 -21.292 16.308 -10.656
29 HA ASN 5 HA ASN 5 -21.188 18.476 -10.003
30 1HB ASN 5 2HB ASN 5 -24.087 17.798 -9.885
31 2HB ASN 5 1HB ASN 5 -23.577 19.347 -9.227
32 1HD2 ASN 5 1HD2 ASN 5 -22.672 17.416 -12.073
33 2HD2 ASN 5 2HD2 ASN 5 -22.903 18.690 -13.217
34 H GLY 6 H GLY 6 -19.898 17.473 -8.118
35 1HA GLY 6 2HA GLY 6 -20.038 18.917 -5.879
36 2HA GLY 6 1HA GLY 6 -21.262 17.708 -5.544
37 H VAL 7 H VAL 7 -19.597 15.683 -7.050
38 HA VAL 7 HA VAL 7 -17.228 15.395 -5.385
39 HB VAL 7 HB VAL 7 -17.876 12.976 -4.882
40 1HG1 VAL 7 1HG1 VAL 7 -17.822 14.974 -3.268
41 2HG1 VAL 7 2HG1 VAL 7 -18.660 13.504 -2.769
42 3HG1 VAL 7 3HG1 VAL 7 -19.581 14.891 -3.346
43 1HG2 VAL 7 1HG2 VAL 7 -19.763 12.582 -6.181
44 2HG2 VAL 7 2HG2 VAL 7 -20.542 14.080 -5.685
45 3HG2 VAL 7 3HG2 VAL 7 -20.403 12.742 -4.548
46 H SER 8 H SER 8 -15.946 15.369 -7.130
47 HA SER 8 HA SER 8 -16.035 12.994 -8.817
48 1HB SER 8 2HB SER 8 -15.894 15.764 -10.039
49 2HB SER 8 1HB SER 8 -15.949 14.223 -10.894
50 HG SER 8 HG SER 8 -17.998 15.191 -10.858
51 H CYS 9 H CYS 9 -14.072 12.178 -8.549
52 HA CYS 9 HA CYS 9 -11.772 14.022 -8.524
53 1HB CYS 9 2HB CYS 9 -10.632 12.431 -7.050
54 2HB CYS 9 1HB CYS 9 -12.152 12.960 -6.338
55 H SER 10 H SER 10 -9.680 12.651 -9.021
56 HA SER 10 HA SER 10 -9.783 11.917 -11.701
57 1HB SER 10 2HB SER 10 -7.780 11.616 -9.519
58 2HB SER 10 1HB SER 10 -7.530 10.681 -10.994
59 HG SER 10 HG SER 10 -7.422 12.551 -12.160
60 H LYS 11 H LYS 11 -10.480 10.079 -8.879
61 HA LYS 11 HA LYS 11 -11.514 8.053 -8.666
62 1HB LYS 11 2HB LYS 11 -12.076 8.482 -11.258
63 2HB LYS 11 1HB LYS 11 -10.974 7.122 -11.430
64 1HG LYS 11 2HG LYS 11 -12.850 6.598 -9.332
65 2HG LYS 11 1HG LYS 11 -13.706 7.054 -10.805
66 1HD LYS 11 2HD LYS 11 -12.799 5.273 -12.019
67 2HD LYS 11 1HD LYS 11 -11.494 5.026 -10.856
68 1HE LYS 11 2HE LYS 11 -14.170 4.726 -9.712
69 2HE LYS 11 1HE LYS 11 -13.810 3.565 -10.989
70 1HZ LYS 11 1HZ LYS 11 -12.648 3.827 -8.336
71 2HZ LYS 11 2HZ LYS 11 -11.570 3.427 -9.578
72 3HZ LYS 11 3HZ LYS 11 -12.911 2.442 -9.273
73 H THR 12 H THR 12 -8.383 8.690 -9.418
74 HA THR 12 HA THR 12 -7.507 5.931 -9.410
75 HB THR 12 HB THR 12 -6.329 7.510 -10.876
76 HG1 THR 12 1HG THR 12 -4.994 5.931 -10.274
77 1HG2 THR 12 1HG2 THR 12 -5.161 8.861 -8.475
78 2HG2 THR 12 2HG2 THR 12 -6.573 9.501 -9.318
79 3HG2 THR 12 3HG2 THR 12 -5.043 9.314 -10.174
80 H LYS 13 H LYS 13 -6.766 8.816 -7.433
81 HA LYS 13 HA LYS 13 -5.914 7.158 -5.239
82 1HB LYS 13 2HB LYS 13 -5.375 9.252 -4.124
83 2HB LYS 13 1HB LYS 13 -4.719 9.226 -5.754
84 1HG LYS 13 2HG LYS 13 -7.371 10.403 -5.635
85 2HG LYS 13 1HG LYS 13 -6.201 11.241 -4.614
86 1HD LYS 13 2HD LYS 13 -5.474 10.515 -7.422
87 2HD LYS 13 1HD LYS 13 -6.480 11.933 -7.115
88 1HE LYS 13 2HE LYS 13 -4.531 13.013 -6.882
89 2HE LYS 13 1HE LYS 13 -4.485 12.262 -5.287
90 1HZ LYS 13 1HZ LYS 13 -3.409 10.329 -6.731
91 2HZ LYS 13 2HZ LYS 13 -2.488 11.571 -6.046
92 3HZ LYS 13 3HZ LYS 13 -2.935 11.651 -7.675
93 H CYS 14 H CYS 14 -8.906 7.389 -6.134
94 HA CYS 14 HA CYS 14 -9.988 8.299 -3.556
95 1HB CYS 14 2HB CYS 14 -11.168 8.012 -6.286
96 2HB CYS 14 1HB CYS 14 -12.224 7.924 -4.881
97 H SER 15 H SER 15 -11.041 7.013 -2.164
98 HA SER 15 HA SER 15 -11.722 5.124 -1.099
99 1HB SER 15 2HB SER 15 -13.103 5.082 -3.409
100 2HB SER 15 1HB SER 15 -12.172 3.598 -3.606
101 HG SER 15 HG SER 15 -14.331 4.013 -2.097
102 H VAL 16 H VAL 16 -11.347 2.508 -1.300
103 HA VAL 16 HA VAL 16 -8.805 1.801 -2.441
104 HB VAL 16 HB VAL 16 -8.972 1.781 0.575
105 1HG1 VAL 16 1HG1 VAL 16 -7.602 0.040 -0.607
106 2HG1 VAL 16 2HG1 VAL 16 -6.699 1.064 0.511
107 3HG1 VAL 16 3HG1 VAL 16 -6.597 1.349 -1.227
108 1HG2 VAL 16 1HG2 VAL 16 -7.460 3.677 -1.222
109 2HG2 VAL 16 2HG2 VAL 16 -7.269 3.563 0.527
110 3HG2 VAL 16 3HG2 VAL 16 -8.805 4.089 -0.160
111 H ASN 17 H ASN 17 -9.247 -0.124 -3.186
112 HA ASN 17 HA ASN 17 -10.526 -2.104 -1.425
113 1HB ASN 17 2HB ASN 17 -11.830 -1.102 -3.573
114 2HB ASN 17 1HB ASN 17 -10.922 -2.389 -4.361
115 1HD2 ASN 17 1HD2 ASN 17 -13.134 -3.128 -4.780
116 2HD2 ASN 17 2HD2 ASN 17 -13.898 -4.136 -3.604
117 H TRP 18 H TRP 18 -8.591 -1.597 -4.335
118 HA TRP 18 HA TRP 18 -7.005 -4.006 -3.638
119 1HB TRP 18 2HB TRP 18 -8.228 -3.187 -6.151
120 2HB TRP 18 1HB TRP 18 -6.479 -3.342 -6.330
121 HD1 TRP 18 HD TRP 18 -5.470 -5.801 -5.368
122 HE1 TRP 18 1HE TRP 18 -6.509 -8.143 -5.608
123 HE3 TRP 18 3HE TRP 18 -10.279 -4.450 -6.447
124 HZ2 TRP 18 2HZ TRP 18 -9.030 -9.269 -6.189
125 HZ3 TRP 18 3HZ TRP 18 -11.944 -6.219 -6.831
126 HH2 TRP 18 HH TRP 18 -11.331 -8.579 -6.705
127 H GLY 19 H GLY 19 -6.709 -1.318 -2.613
128 1HA GLY 19 2HA GLY 19 -4.207 -0.409 -3.905
129 2HA GLY 19 1HA GLY 19 -5.211 0.547 -2.819
130 H GLN 20 H GLN 20 -5.590 -1.248 -0.740
131 HA GLN 20 HA GLN 20 -3.185 -0.893 0.703
132 1HB GLN 20 2HB GLN 20 -5.663 -1.154 1.517
133 2HB GLN 20 1HB GLN 20 -5.280 -2.869 1.547
134 1HG GLN 20 2HG GLN 20 -3.192 -1.992 2.927
135 2HG GLN 20 1HG GLN 20 -4.304 -0.666 3.272
136 1HE2 GLN 20 1HE2 GLN 20 -6.575 -1.472 3.876
137 2HE2 GLN 20 2HE2 GLN 20 -6.629 -2.758 5.028
138 H ALA 21 H ALA 21 -4.678 -3.727 -0.795
139 HA ALA 21 HA ALA 21 -2.723 -5.609 0.025
140 1HB ALA 21 1HB ALA 21 -5.068 -6.051 -0.891
141 2HB ALA 21 2HB ALA 21 -3.775 -7.115 -1.442
142 3HB ALA 21 3HB ALA 21 -4.358 -5.822 -2.489
143 H PHE 22 H PHE 22 -3.243 -4.434 -3.298
144 HA PHE 22 HA PHE 22 -0.863 -5.311 -4.343
145 1HB PHE 22 2HB PHE 22 -2.728 -4.291 -5.683
146 2HB PHE 22 1HB PHE 22 -2.168 -2.706 -5.150
147 HD1 PHE 22 1HD PHE 22 -0.355 -5.733 -6.357
148 HD2 PHE 22 2HD PHE 22 -1.220 -1.613 -6.888
149 HE1 PHE 22 1HE PHE 22 1.293 -5.621 -8.154
150 HE2 PHE 22 2HE PHE 22 0.415 -1.492 -8.689
151 HZ PHE 22 HZ PHE 22 1.682 -3.499 -9.349
152 H GLN 23 H GLN 23 -1.382 -2.376 -2.440
153 HA GLN 23 HA GLN 23 1.125 -1.213 -3.200
154 1HB GLN 23 2HB GLN 23 -0.783 0.166 -2.391
155 2HB GLN 23 1HB GLN 23 -0.600 -0.554 -0.798
156 1HG GLN 23 2HG GLN 23 1.800 0.329 -0.875
157 2HG GLN 23 1HG GLN 23 1.253 1.318 -2.227
158 1HE2 GLN 23 1HE2 GLN 23 0.006 3.085 -1.844
159 2HE2 GLN 23 2HE2 GLN 23 -0.406 3.649 -0.263
160 H GLU 24 H GLU 24 -0.052 -2.896 -0.309
161 HA GLU 24 HA GLU 24 2.393 -2.801 1.105
162 1HB GLU 24 2HB GLU 24 -0.030 -3.423 1.899
163 2HB GLU 24 1HB GLU 24 0.440 -5.054 1.439
164 1HG GLU 24 2HG GLU 24 2.398 -3.667 3.102
165 2HG GLU 24 1HG GLU 24 0.838 -3.922 3.881
166 H ARG 25 H ARG 25 1.145 -4.803 -1.401
167 HA ARG 25 HA ARG 25 3.071 -6.917 -1.116
168 1HB ARG 25 2HB ARG 25 0.640 -6.418 -2.565
169 2HB ARG 25 1HB ARG 25 1.879 -6.941 -3.696
170 1HG ARG 25 2HG ARG 25 1.030 -8.411 -1.204
171 2HG ARG 25 1HG ARG 25 0.581 -8.825 -2.860
172 1HD ARG 25 2HD ARG 25 2.836 -9.365 -3.415
173 2HD ARG 25 1HD ARG 25 3.432 -8.707 -1.892
174 HE ARG 25 HE ARG 25 2.376 -11.322 -2.338
175 1HH1 ARG 25 1HH1 ARG 25 2.694 -8.799 0.053
176 2HH1 ARG 25 2HH1 ARG 25 2.579 -9.885 1.397
177 1HH2 ARG 25 1HH2 ARG 25 2.227 -12.752 -0.569
178 2HH2 ARG 25 2HH2 ARG 25 2.315 -12.127 1.044
179 H TYR 26 H TYR 26 2.470 -4.348 -3.516
180 HA TYR 26 HA TYR 26 4.932 -4.861 -4.918
181 1HB TYR 26 2HB TYR 26 4.047 -3.592 -6.537
182 2HB TYR 26 1HB TYR 26 2.572 -3.815 -5.618
183 HD1 TYR 26 1HD TYR 26 1.418 -1.991 -4.788
184 HD2 TYR 26 2HD TYR 26 5.331 -1.382 -6.193
185 HE1 TYR 26 1HE TYR 26 0.987 0.392 -4.741
186 HE2 TYR 26 2HE TYR 26 4.967 1.038 -6.111
187 HH TYR 26 HH TYR 26 2.774 2.538 -4.474
188 H THR 27 H THR 27 3.775 -1.998 -3.062
189 HA THR 27 HA THR 27 6.146 -0.569 -3.147
190 HB THR 27 HB THR 27 4.439 -0.566 -0.682
191 HG1 THR 27 1HG THR 27 3.560 1.076 -2.687
192 1HG2 THR 27 1HG2 THR 27 5.071 1.585 -0.387
193 2HG2 THR 27 2HG2 THR 27 5.221 1.898 -2.116
194 3HG2 THR 27 3HG2 THR 27 6.489 1.012 -1.267
195 H ALA 28 H ALA 28 5.407 -3.427 -1.357
196 HA ALA 28 HA ALA 28 7.496 -3.099 0.578
197 1HB ALA 28 1HB ALA 28 7.108 -5.656 0.820
198 2HB ALA 28 2HB ALA 28 5.722 -5.371 -0.231
199 3HB ALA 28 3HB ALA 28 5.837 -4.541 1.321
200 H GLY 29 H GLY 29 7.121 -5.132 -2.336
201 1HA GLY 29 2HA GLY 29 9.820 -6.068 -2.274
202 2HA GLY 29 1HA GLY 29 8.700 -6.217 -3.621
203 H ILE 30 H ILE 30 8.173 -3.512 -4.097
204 HA ILE 30 HA ILE 30 10.310 -2.829 -5.780
205 HB ILE 30 HB ILE 30 8.064 -1.080 -4.760
206 1HG1 ILE 30 2HG1 ILE 30 7.310 -3.084 -5.974
207 2HG1 ILE 30 1HG1 ILE 30 6.987 -1.616 -6.891
208 1HG2 ILE 30 1HG2 ILE 30 9.922 -0.664 -7.100
209 2HG2 ILE 30 2HG2 ILE 30 9.892 0.280 -5.611
210 3HG2 ILE 30 3HG2 ILE 30 8.518 0.330 -6.714
211 1HD1 ILE 30 1HD1 ILE 30 9.500 -2.451 -7.734
212 2HD1 ILE 30 2HD1 ILE 30 7.976 -2.576 -8.613
213 3HD1 ILE 30 3HD1 ILE 30 8.533 -3.921 -7.617
214 H ASN 31 H ASN 31 9.340 -1.479 -2.618
215 HA ASN 31 HA ASN 31 11.261 0.537 -2.481
216 1HB ASN 31 2HB ASN 31 9.324 0.205 -0.892
217 2HB ASN 31 1HB ASN 31 10.276 -1.058 -0.105
218 1HD2 ASN 31 1HD2 ASN 31 9.621 2.245 -0.318
219 2HD2 ASN 31 2HD2 ASN 31 10.870 2.813 0.732
220 H SER 32 H SER 32 11.439 -2.831 -1.349
221 HA SER 32 HA SER 32 14.040 -2.675 -0.314
222 1HB SER 32 2HB SER 32 12.501 -4.548 0.167
223 2HB SER 32 1HB SER 32 12.658 -5.098 -1.502
224 HG SER 32 HG SER 32 14.872 -4.795 0.238
225 H PHE 33 H PHE 33 12.878 -3.290 -3.578
226 HA PHE 33 HA PHE 33 15.266 -4.189 -4.720
227 1HB PHE 33 2HB PHE 33 13.886 -4.356 -6.472
228 2HB PHE 33 1HB PHE 33 12.672 -3.422 -5.617
229 HD1 PHE 33 1HD PHE 33 11.912 -1.452 -6.582
230 HD2 PHE 33 2HD PHE 33 15.736 -2.941 -7.687
231 HE1 PHE 33 1HE PHE 33 12.104 0.304 -8.271
232 HE2 PHE 33 2HE PHE 33 15.928 -1.183 -9.388
233 HZ PHE 33 HZ PHE 33 14.108 0.442 -9.681
234 H VAL 34 H VAL 34 14.094 -0.933 -4.070
235 HA VAL 34 HA VAL 34 16.078 0.530 -5.444
236 HB VAL 34 HB VAL 34 14.849 1.498 -2.890
237 1HG1 VAL 34 1HG1 VAL 34 15.181 3.611 -3.741
238 2HG1 VAL 34 2HG1 VAL 34 15.187 3.052 -5.414
239 3HG1 VAL 34 3HG1 VAL 34 16.578 2.740 -4.374
240 1HG2 VAL 34 1HG2 VAL 34 12.902 0.717 -3.845
241 2HG2 VAL 34 2HG2 VAL 34 13.489 0.949 -5.490
242 3HG2 VAL 34 3HG2 VAL 34 12.993 2.341 -4.530
243 H SER 35 H SER 35 15.855 -0.034 -1.947
244 HA SER 35 HA SER 35 18.389 0.917 -1.316
245 1HB SER 35 2HB SER 35 16.918 -1.333 0.063
246 2HB SER 35 1HB SER 35 18.203 -0.347 0.759
247 HG SER 35 HG SER 35 15.830 0.194 1.141
248 H GLY 36 H GLY 36 17.386 -2.299 -2.367
249 1HA GLY 36 2HA GLY 36 19.828 -3.632 -1.927
250 2HA GLY 36 1HA GLY 36 18.600 -4.113 -3.092
251 H VAL 37 H VAL 37 18.617 -1.826 -4.730
252 HA VAL 37 HA VAL 37 20.996 -2.363 -6.267
253 HB VAL 37 HB VAL 37 20.061 -0.870 -7.950
254 1HG1 VAL 37 1HG1 VAL 37 19.133 -2.884 -8.386
255 2HG1 VAL 37 2HG1 VAL 37 17.654 -2.016 -7.978
256 3HG1 VAL 37 3HG1 VAL 37 18.438 -3.040 -6.771
257 1HG2 VAL 37 1HG2 VAL 37 19.106 0.757 -6.275
258 2HG2 VAL 37 2HG2 VAL 37 17.745 -0.351 -6.098
259 3HG2 VAL 37 3HG2 VAL 37 18.077 0.394 -7.660
260 H ALA 38 H ALA 38 19.822 0.060 -4.094
261 HA ALA 38 HA ALA 38 21.742 2.064 -4.854
262 1HB ALA 38 1HB ALA 38 19.706 1.810 -2.669
263 2HB ALA 38 2HB ALA 38 19.736 2.926 -4.035
264 3HB ALA 38 3HB ALA 38 20.865 3.139 -2.697
265 H SER 39 H SER 39 21.699 -0.655 -2.737
266 HA SER 39 HA SER 39 23.717 0.274 -0.932
267 1HB SER 39 2HB SER 39 23.637 -1.892 0.036
268 2HB SER 39 1HB SER 39 21.984 -1.534 -0.466
269 HG SER 39 HG SER 39 22.071 -3.116 -1.851
270 H GLY 40 H GLY 40 23.696 -1.720 -3.859
271 1HA GLY 40 2HA GLY 40 26.323 -1.050 -4.574
272 2HA GLY 40 1HA GLY 40 26.372 -2.580 -3.718
273 H ALA 41 H ALA 41 24.030 -3.765 -4.614
274 HA ALA 41 HA ALA 41 24.158 -3.765 -7.536
275 1HB ALA 41 1HB ALA 41 25.075 -5.990 -5.792
276 2HB ALA 41 2HB ALA 41 25.684 -5.450 -7.356
277 3HB ALA 41 3HB ALA 41 24.199 -6.397 -7.266
278 H GLY 42 H GLY 42 22.764 -5.659 -4.833
279 1HA GLY 42 2HA GLY 42 20.570 -6.159 -4.340
280 2HA GLY 42 1HA GLY 42 20.113 -4.841 -5.400
281 H SER 43 H SER 43 21.872 -7.820 -6.168
282 HA SER 43 HA SER 43 19.974 -8.302 -8.328
283 1HB SER 43 2HB SER 43 21.711 -10.287 -8.665
284 2HB SER 43 1HB SER 43 22.067 -8.647 -9.205
285 HG SER 43 HG SER 43 23.790 -9.525 -7.996
286 H ILE 44 H ILE 44 20.910 -9.628 -5.236
287 HA ILE 44 HA ILE 44 18.583 -11.368 -5.279
288 HB ILE 44 HB ILE 44 19.912 -13.344 -4.494
289 1HG1 ILE 44 2HG1 ILE 44 21.976 -11.980 -3.966
290 2HG1 ILE 44 1HG1 ILE 44 22.267 -13.469 -4.856
291 1HG2 ILE 44 1HG2 ILE 44 20.561 -12.455 -7.298
292 2HG2 ILE 44 2HG2 ILE 44 19.007 -13.112 -6.788
293 3HG2 ILE 44 3HG2 ILE 44 20.456 -14.112 -6.702
294 1HD1 ILE 44 1HD1 ILE 44 23.406 -12.288 -6.335
295 2HD1 ILE 44 2HD1 ILE 44 22.950 -10.780 -5.542
296 3HD1 ILE 44 3HD1 ILE 44 21.910 -11.471 -6.788
297 H GLY 45 H GLY 45 18.393 -9.399 -3.741
298 1HA GLY 45 2HA GLY 45 19.642 -9.907 -1.136
299 2HA GLY 45 1HA GLY 45 18.743 -8.470 -1.596
300 H ARG 46 H ARG 46 16.399 -9.597 -2.566
301 HA ARG 46 HA ARG 46 15.305 -10.816 -0.119
302 1HB ARG 46 2HB ARG 46 14.280 -8.722 -1.957
303 2HB ARG 46 1HB ARG 46 13.101 -9.833 -1.276
304 1HG ARG 46 2HG ARG 46 15.031 -8.609 0.601
305 2HG ARG 46 1HG ARG 46 13.795 -7.556 -0.092
306 1HD ARG 46 2HD ARG 46 12.056 -8.756 0.862
307 2HD ARG 46 1HD ARG 46 13.038 -10.204 1.075
308 HE ARG 46 HE ARG 46 12.834 -7.956 2.867
309 1HH1 ARG 46 1HH1 ARG 46 14.760 -10.700 1.900
310 2HH1 ARG 46 2HH1 ARG 46 15.580 -10.818 3.419
311 1HH2 ARG 46 1HH2 ARG 46 13.912 -8.110 4.866
312 2HH2 ARG 46 2HH2 ARG 46 15.099 -9.349 5.104
313 H ARG 47 H ARG 47 15.423 -10.980 -3.610
314 HA ARG 47 HA ARG 47 13.607 -13.277 -3.651
315 1HB ARG 47 2HB ARG 47 14.800 -11.522 -5.782
316 2HB ARG 47 1HB ARG 47 14.071 -13.068 -6.189
317 1HG ARG 47 2HG ARG 47 12.089 -12.023 -4.723
318 2HG ARG 47 1HG ARG 47 12.812 -10.538 -5.347
319 1HD ARG 47 2HD ARG 47 12.760 -11.952 -7.607
320 2HD ARG 47 1HD ARG 47 11.409 -12.723 -6.779
321 HE ARG 47 HE ARG 47 10.176 -10.871 -7.244
322 1HH1 ARG 47 1HH1 ARG 47 13.538 -9.939 -7.227
323 2HH1 ARG 47 2HH1 ARG 47 13.217 -8.309 -7.717
324 1HH2 ARG 47 1HH2 ARG 47 9.754 -8.730 -7.893
325 2HH2 ARG 47 2HH2 ARG 47 11.070 -7.623 -8.095
326 HA PRO 48 HA PRO 48 17.354 -15.820 -3.289
327 1HB PRO 48 2HB PRO 48 15.352 -17.954 -3.781
328 2HB PRO 48 1HB PRO 48 16.559 -17.818 -2.497
329 1HG PRO 48 2HG PRO 48 13.971 -17.392 -2.002
330 2HG PRO 48 1HG PRO 48 15.230 -16.424 -1.213
331 1HD PRO 48 2HD PRO 48 13.427 -15.707 -3.486
332 2HD PRO 48 1HD PRO 48 14.011 -14.703 -2.138
Start of MODEL 10
1 H VAL 1 H VAL 1 -27.826 14.602 11.411
2 HA VAL 1 HA VAL 1 -25.700 14.917 10.165
3 HB VAL 1 HB VAL 1 -26.967 17.374 11.423
4 1HG1 VAL 1 1HG1 VAL 1 -24.964 17.180 9.132
5 2HG1 VAL 1 2HG1 VAL 1 -25.833 18.654 9.625
6 3HG1 VAL 1 3HG1 VAL 1 -24.656 17.903 10.729
7 1HG2 VAL 1 1HG2 VAL 1 -28.048 17.548 9.222
8 2HG2 VAL 1 2HG2 VAL 1 -27.151 16.121 8.650
9 3HG2 VAL 1 3HG2 VAL 1 -28.371 15.949 9.935
10 H ASN 2 H ASN 2 -25.285 14.409 13.233
11 HA ASN 2 HA ASN 2 -23.128 16.179 13.927
12 1HB ASN 2 2HB ASN 2 -22.904 14.762 15.922
13 2HB ASN 2 1HB ASN 2 -24.591 15.199 15.642
14 1HD2 ASN 2 1HD2 ASN 2 -23.570 12.981 17.158
15 2HD2 ASN 2 2HD2 ASN 2 -24.172 11.544 16.410
16 H TYR 3 H TYR 3 -21.144 16.051 13.126
17 HA TYR 3 HA TYR 3 -20.178 13.606 11.911
18 1HB TYR 3 2HB TYR 3 -19.342 16.437 11.954
19 2HB TYR 3 1HB TYR 3 -18.029 15.266 11.858
20 HD1 TYR 3 1HD TYR 3 -21.248 16.199 10.246
21 HD2 TYR 3 2HD TYR 3 -17.475 14.292 9.819
22 HE1 TYR 3 1HE TYR 3 -21.676 15.906 7.848
23 HE2 TYR 3 2HE TYR 3 -17.886 13.998 7.415
24 HH TYR 3 HH TYR 3 -19.233 14.930 5.648
25 H GLY 4 H GLY 4 -17.770 13.062 12.411
26 1HA GLY 4 2HA GLY 4 -16.451 13.485 14.744
27 2HA GLY 4 1HA GLY 4 -17.671 12.295 15.197
28 H ASN 5 H ASN 5 -15.882 10.852 15.664
29 HA ASN 5 HA ASN 5 -14.141 9.983 13.540
30 1HB ASN 5 2HB ASN 5 -13.557 8.160 15.228
31 2HB ASN 5 1HB ASN 5 -13.241 9.818 15.736
32 1HD2 ASN 5 1HD2 ASN 5 -13.980 10.393 17.660
33 2HD2 ASN 5 2HD2 ASN 5 -15.218 9.585 18.554
34 H GLY 6 H GLY 6 -17.108 8.813 15.034
35 1HA GLY 6 2HA GLY 6 -17.150 6.237 13.936
36 2HA GLY 6 1HA GLY 6 -18.563 7.150 14.429
37 H VAL 7 H VAL 7 -17.955 9.317 12.439
38 HA VAL 7 HA VAL 7 -19.241 8.001 10.186
39 HB VAL 7 HB VAL 7 -19.373 10.337 9.239
40 1HG1 VAL 7 1HG1 VAL 7 -20.622 10.321 11.951
41 2HG1 VAL 7 2HG1 VAL 7 -21.098 9.116 10.752
42 3HG1 VAL 7 3HG1 VAL 7 -21.299 10.833 10.408
43 1HG2 VAL 7 1HG2 VAL 7 -18.457 12.120 10.251
44 2HG2 VAL 7 2HG2 VAL 7 -17.439 10.933 11.060
45 3HG2 VAL 7 3HG2 VAL 7 -18.883 11.547 11.862
46 H SER 8 H SER 8 -17.462 6.757 9.425
47 HA SER 8 HA SER 8 -15.584 8.336 7.795
48 1HB SER 8 2HB SER 8 -14.285 7.706 9.719
49 2HB SER 8 1HB SER 8 -14.858 6.041 9.628
50 HG SER 8 HG SER 8 -12.878 6.049 8.677
51 H CYS 9 H CYS 9 -17.284 7.703 6.218
52 HA CYS 9 HA CYS 9 -16.370 5.507 4.654
53 1HB CYS 9 2HB CYS 9 -17.729 4.248 6.277
54 2HB CYS 9 1HB CYS 9 -19.115 5.267 5.916
55 H SER 10 H SER 10 -16.149 7.337 3.257
56 HA SER 10 HA SER 10 -18.407 8.876 2.435
57 1HB SER 10 2HB SER 10 -15.800 8.503 0.937
58 2HB SER 10 1HB SER 10 -16.939 9.840 0.783
59 HG SER 10 HG SER 10 -15.314 9.209 3.018
60 H LYS 11 H LYS 11 -18.157 8.879 -0.366
61 HA LYS 11 HA LYS 11 -19.677 6.520 -0.993
62 1HB LYS 11 2HB LYS 11 -18.770 8.908 -2.593
63 2HB LYS 11 1HB LYS 11 -19.536 7.526 -3.366
64 1HG LYS 11 2HG LYS 11 -20.875 8.822 -1.043
65 2HG LYS 11 1HG LYS 11 -20.948 9.589 -2.630
66 1HD LYS 11 2HD LYS 11 -21.709 6.713 -2.147
67 2HD LYS 11 1HD LYS 11 -22.865 8.046 -2.075
68 1HE LYS 11 2HE LYS 11 -21.933 8.632 -4.429
69 2HE LYS 11 1HE LYS 11 -21.360 6.965 -4.426
70 1HZ LYS 11 1HZ LYS 11 -23.670 6.270 -3.966
71 2HZ LYS 11 2HZ LYS 11 -23.500 7.055 -5.455
72 3HZ LYS 11 3HZ LYS 11 -24.172 7.878 -4.138
73 H THR 12 H THR 12 -16.544 7.882 -1.983
74 HA THR 12 HA THR 12 -15.820 5.382 -3.281
75 HB THR 12 HB THR 12 -14.132 7.864 -2.955
76 HG1 THR 12 1HG THR 12 -15.127 8.697 -4.607
77 1HG2 THR 12 1HG2 THR 12 -13.828 6.181 -5.326
78 2HG2 THR 12 2HG2 THR 12 -13.331 5.427 -3.811
79 3HG2 THR 12 3HG2 THR 12 -12.612 6.958 -4.313
80 H LYS 13 H LYS 13 -14.632 7.410 -0.601
81 HA LYS 13 HA LYS 13 -12.693 5.422 0.179
82 1HB LYS 13 2HB LYS 13 -13.574 7.853 1.744
83 2HB LYS 13 1HB LYS 13 -12.081 6.944 1.939
84 1HG LYS 13 2HG LYS 13 -11.470 7.638 -0.395
85 2HG LYS 13 1HG LYS 13 -12.867 8.714 -0.361
86 1HD LYS 13 2HD LYS 13 -11.208 10.148 0.327
87 2HD LYS 13 1HD LYS 13 -11.779 9.542 1.883
88 1HE LYS 13 2HE LYS 13 -9.965 7.850 1.831
89 2HE LYS 13 1HE LYS 13 -9.367 8.582 0.343
90 1HZ LYS 13 1HZ LYS 13 -9.389 9.713 3.072
91 2HZ LYS 13 2HZ LYS 13 -9.267 10.718 1.717
92 3HZ LYS 13 3HZ LYS 13 -8.085 9.543 2.005
93 H CYS 14 H CYS 14 -13.208 3.643 1.245
94 HA CYS 14 HA CYS 14 -14.310 3.439 3.716
95 1HB CYS 14 2HB CYS 14 -16.363 4.401 2.767
96 2HB CYS 14 1HB CYS 14 -16.503 3.021 1.682
97 H SER 15 H SER 15 -14.548 1.809 0.543
98 HA SER 15 HA SER 15 -13.371 -0.573 1.795
99 1HB SER 15 2HB SER 15 -14.967 -2.003 0.411
100 2HB SER 15 1HB SER 15 -15.656 -1.198 1.818
101 HG SER 15 HG SER 15 -16.690 -1.091 -0.461
102 H VAL 16 H VAL 16 -11.768 -1.380 0.654
103 HA VAL 16 HA VAL 16 -11.704 -1.412 -2.212
104 HB VAL 16 HB VAL 16 -11.064 0.917 -1.898
105 1HG1 VAL 16 1HG1 VAL 16 -9.615 1.688 -0.362
106 2HG1 VAL 16 2HG1 VAL 16 -8.531 0.305 -0.533
107 3HG1 VAL 16 3HG1 VAL 16 -9.989 0.168 0.449
108 1HG2 VAL 16 1HG2 VAL 16 -10.006 -0.266 -3.731
109 2HG2 VAL 16 2HG2 VAL 16 -8.723 -0.837 -2.662
110 3HG2 VAL 16 3HG2 VAL 16 -8.870 0.884 -3.026
111 H ASN 17 H ASN 17 -11.386 -3.644 -1.783
112 HA ASN 17 HA ASN 17 -9.306 -4.658 -0.171
113 1HB ASN 17 2HB ASN 17 -11.385 -5.862 -1.200
114 2HB ASN 17 1HB ASN 17 -10.320 -6.148 -2.576
115 1HD2 ASN 17 1HD2 ASN 17 -10.146 -6.319 0.974
116 2HD2 ASN 17 2HD2 ASN 17 -9.365 -7.859 1.028
117 H TRP 18 H TRP 18 -9.405 -3.581 -3.501
118 HA TRP 18 HA TRP 18 -6.746 -4.633 -4.083
119 1HB TRP 18 2HB TRP 18 -9.008 -3.772 -5.630
120 2HB TRP 18 1HB TRP 18 -7.592 -2.850 -6.130
121 HD1 TRP 18 HD TRP 18 -5.299 -4.734 -6.299
122 HE1 TRP 18 1HE TRP 18 -5.293 -6.891 -7.703
123 HE3 TRP 18 3HE TRP 18 -10.343 -5.398 -6.790
124 HZ2 TRP 18 2HZ TRP 18 -7.177 -8.634 -8.872
125 HZ3 TRP 18 3HZ TRP 18 -11.160 -7.333 -8.071
126 HH2 TRP 18 HH TRP 18 -9.607 -8.917 -9.090
127 H GLY 19 H GLY 19 -7.123 -2.506 -1.985
128 1HA GLY 19 2HA GLY 19 -5.657 -0.266 -3.239
129 2HA GLY 19 1HA GLY 19 -6.547 -0.183 -1.727
130 H GLN 20 H GLN 20 -5.659 -1.253 0.141
131 HA GLN 20 HA GLN 20 -2.918 -0.720 0.485
132 1HB GLN 20 2HB GLN 20 -3.211 -1.827 2.694
133 2HB GLN 20 1HB GLN 20 -4.422 -0.598 2.361
134 1HG GLN 20 2HG GLN 20 -5.967 -2.095 2.879
135 2HG GLN 20 1HG GLN 20 -5.533 -2.965 1.406
136 1HE2 GLN 20 1HE2 GLN 20 -3.786 -2.530 4.455
137 2HE2 GLN 20 2HE2 GLN 20 -3.648 -4.213 4.818
138 H ALA 21 H ALA 21 -4.615 -3.580 -0.507
139 HA ALA 21 HA ALA 21 -2.710 -5.535 0.144
140 1HB ALA 21 1HB ALA 21 -4.999 -6.060 -0.569
141 2HB ALA 21 2HB ALA 21 -3.803 -6.913 -1.543
142 3HB ALA 21 3HB ALA 21 -4.618 -5.491 -2.194
143 H PHE 22 H PHE 22 -3.300 -4.349 -3.154
144 HA PHE 22 HA PHE 22 -0.955 -5.320 -4.229
145 1HB PHE 22 2HB PHE 22 -2.846 -4.319 -5.563
146 2HB PHE 22 1HB PHE 22 -2.218 -2.727 -5.133
147 HD1 PHE 22 1HD PHE 22 -1.164 -1.748 -6.871
148 HD2 PHE 22 2HD PHE 22 -0.636 -5.912 -6.251
149 HE1 PHE 22 1HE PHE 22 0.468 -1.803 -8.680
150 HE2 PHE 22 2HE PHE 22 1.000 -5.980 -8.061
151 HZ PHE 22 HZ PHE 22 1.555 -3.923 -9.304
152 H GLN 23 H GLN 23 -1.422 -2.272 -2.484
153 HA GLN 23 HA GLN 23 1.117 -1.216 -3.303
154 1HB GLN 23 2HB GLN 23 -0.845 0.180 -2.568
155 2HB GLN 23 1HB GLN 23 -0.531 -0.353 -0.922
156 1HG GLN 23 2HG GLN 23 1.802 0.584 -1.207
157 2HG GLN 23 1HG GLN 23 1.213 1.339 -2.686
158 1HE2 GLN 23 1HE2 GLN 23 1.505 1.605 0.658
159 2HE2 GLN 23 2HE2 GLN 23 0.511 2.999 0.887
160 H GLU 24 H GLU 24 -0.105 -2.816 -0.394
161 HA GLU 24 HA GLU 24 2.287 -2.640 1.108
162 1HB GLU 24 2HB GLU 24 -0.020 -3.199 1.990
163 2HB GLU 24 1HB GLU 24 0.186 -4.803 1.304
164 1HG GLU 24 2HG GLU 24 2.387 -3.928 3.022
165 2HG GLU 24 1HG GLU 24 0.834 -4.095 3.841
166 H ARG 25 H ARG 25 1.076 -4.854 -1.282
167 HA ARG 25 HA ARG 25 3.086 -6.857 -0.923
168 1HB ARG 25 2HB ARG 25 0.630 -6.451 -2.400
169 2HB ARG 25 1HB ARG 25 1.872 -7.113 -3.454
170 1HG ARG 25 2HG ARG 25 0.974 -9.036 -2.643
171 2HG ARG 25 1HG ARG 25 2.233 -8.764 -1.438
172 1HD ARG 25 2HD ARG 25 0.735 -8.522 0.197
173 2HD ARG 25 1HD ARG 25 -0.225 -7.393 -0.757
174 HE ARG 25 HE ARG 25 -1.683 -9.097 -1.125
175 1HH1 ARG 25 1HH1 ARG 25 1.457 -10.496 -0.519
176 2HH1 ARG 25 2HH1 ARG 25 0.886 -12.128 -0.615
177 1HH2 ARG 25 1HH2 ARG 25 -2.435 -11.243 -1.248
178 2HH2 ARG 25 2HH2 ARG 25 -1.322 -12.552 -1.028
179 H TYR 26 H TYR 26 2.340 -4.530 -3.505
180 HA TYR 26 HA TYR 26 4.715 -5.078 -4.981
181 1HB TYR 26 2HB TYR 26 3.658 -3.976 -6.599
182 2HB TYR 26 1HB TYR 26 2.296 -3.985 -5.494
183 HD1 TYR 26 1HD TYR 26 5.167 -1.864 -6.559
184 HD2 TYR 26 2HD TYR 26 1.323 -1.987 -4.831
185 HE1 TYR 26 1HE TYR 26 5.000 0.573 -6.695
186 HE2 TYR 26 2HE TYR 26 1.111 0.411 -4.975
187 HH TYR 26 HH TYR 26 3.618 2.418 -5.349
188 H THR 27 H THR 27 3.723 -2.084 -3.237
189 HA THR 27 HA THR 27 6.090 -0.698 -3.580
190 HB THR 27 HB THR 27 4.540 -0.544 -1.013
191 HG1 THR 27 1HG THR 27 3.605 1.093 -2.963
192 1HG2 THR 27 1HG2 THR 27 6.333 1.237 -2.508
193 2HG2 THR 27 2HG2 THR 27 6.016 1.128 -0.778
194 3HG2 THR 27 3HG2 THR 27 4.892 1.992 -1.828
195 H ALA 28 H ALA 28 5.350 -3.241 -1.310
196 HA ALA 28 HA ALA 28 7.613 -2.916 0.359
197 1HB ALA 28 1HB ALA 28 7.168 -5.313 0.974
198 2HB ALA 28 2HB ALA 28 5.884 -5.315 -0.235
199 3HB ALA 28 3HB ALA 28 5.786 -4.232 1.153
200 H GLY 29 H GLY 29 7.016 -4.997 -2.469
201 1HA GLY 29 2HA GLY 29 9.596 -6.187 -2.462
202 2HA GLY 29 1HA GLY 29 8.467 -6.182 -3.812
203 H ILE 30 H ILE 30 8.221 -3.521 -4.382
204 HA ILE 30 HA ILE 30 10.564 -3.027 -5.876
205 HB ILE 30 HB ILE 30 8.314 -2.215 -6.530
206 1HG1 ILE 30 2HG1 ILE 30 10.159 0.149 -6.238
207 2HG1 ILE 30 1HG1 ILE 30 10.547 -1.197 -7.306
208 1HG2 ILE 30 1HG2 ILE 30 7.858 -1.429 -4.098
209 2HG2 ILE 30 2HG2 ILE 30 7.172 -0.529 -5.451
210 3HG2 ILE 30 3HG2 ILE 30 8.615 0.071 -4.634
211 1HD1 ILE 30 1HD1 ILE 30 7.901 0.148 -7.550
212 2HD1 ILE 30 2HD1 ILE 30 8.854 -0.694 -8.771
213 3HD1 ILE 30 3HD1 ILE 30 9.339 0.911 -8.228
214 H ASN 31 H ASN 31 9.394 -1.828 -2.774
215 HA ASN 31 HA ASN 31 11.207 0.268 -2.399
216 1HB ASN 31 2HB ASN 31 9.596 -1.472 -0.581
217 2HB ASN 31 1HB ASN 31 10.895 -0.526 0.134
218 1HD2 ASN 31 1HD2 ASN 31 8.183 -0.146 0.711
219 2HD2 ASN 31 2HD2 ASN 31 7.725 1.423 0.155
220 H SER 32 H SER 32 11.510 -3.196 -1.759
221 HA SER 32 HA SER 32 14.032 -3.040 -0.490
222 1HB SER 32 2HB SER 32 12.753 -5.021 -0.135
223 2HB SER 32 1HB SER 32 12.595 -5.312 -1.869
224 HG SER 32 HG SER 32 14.983 -5.439 -0.339
225 H PHE 33 H PHE 33 13.072 -3.377 -3.861
226 HA PHE 33 HA PHE 33 15.562 -4.058 -4.954
227 1HB PHE 33 2HB PHE 33 14.201 -4.136 -6.741
228 2HB PHE 33 1HB PHE 33 12.984 -3.166 -5.923
229 HD1 PHE 33 1HD PHE 33 15.899 -3.066 -8.157
230 HD2 PHE 33 2HD PHE 33 12.754 -0.808 -6.401
231 HE1 PHE 33 1HE PHE 33 16.358 -1.214 -9.706
232 HE2 PHE 33 2HE PHE 33 13.209 1.036 -7.942
233 HZ PHE 33 HZ PHE 33 15.010 0.838 -9.603
234 H VAL 34 H VAL 34 14.167 -0.964 -4.061
235 HA VAL 34 HA VAL 34 16.120 0.710 -5.207
236 HB VAL 34 HB VAL 34 14.669 1.399 -2.677
237 1HG1 VAL 34 1HG1 VAL 34 16.407 2.888 -3.795
238 2HG1 VAL 34 2HG1 VAL 34 14.844 3.610 -3.414
239 3HG1 VAL 34 3HG1 VAL 34 15.211 3.123 -5.069
240 1HG2 VAL 34 1HG2 VAL 34 12.891 0.525 -3.913
241 2HG2 VAL 34 2HG2 VAL 34 13.545 1.101 -5.445
242 3HG2 VAL 34 3HG2 VAL 34 12.854 2.246 -4.296
243 H SER 35 H SER 35 15.728 -0.167 -1.806
244 HA SER 35 HA SER 35 18.080 0.878 -0.833
245 1HB SER 35 2HB SER 35 16.732 -1.686 0.023
246 2HB SER 35 1HB SER 35 17.922 -0.796 0.970
247 HG SER 35 HG SER 35 15.284 -0.398 0.806
248 H GLY 36 H GLY 36 17.604 -2.503 -1.898
249 1HA GLY 36 2HA GLY 36 20.266 -3.325 -1.616
250 2HA GLY 36 1HA GLY 36 19.097 -4.060 -2.704
251 H VAL 37 H VAL 37 18.607 -2.201 -4.558
252 HA VAL 37 HA VAL 37 20.924 -2.286 -6.184
253 HB VAL 37 HB VAL 37 18.289 -0.839 -6.488
254 1HG1 VAL 37 1HG1 VAL 37 18.842 -0.276 -8.741
255 2HG1 VAL 37 2HG1 VAL 37 20.395 -1.105 -8.626
256 3HG1 VAL 37 3HG1 VAL 37 20.110 0.370 -7.702
257 1HG2 VAL 37 1HG2 VAL 37 18.080 -2.567 -8.350
258 2HG2 VAL 37 2HG2 VAL 37 17.965 -3.154 -6.694
259 3HG2 VAL 37 3HG2 VAL 37 19.459 -3.367 -7.601
260 H ALA 38 H ALA 38 19.782 -0.032 -3.831
261 HA ALA 38 HA ALA 38 21.109 2.287 -4.824
262 1HB ALA 38 1HB ALA 38 19.504 2.897 -3.328
263 2HB ALA 38 2HB ALA 38 20.897 2.869 -2.246
264 3HB ALA 38 3HB ALA 38 19.786 1.502 -2.288
265 H SER 39 H SER 39 22.036 -0.415 -2.807
266 HA SER 39 HA SER 39 24.470 0.732 -1.852
267 1HB SER 39 2HB SER 39 24.984 -1.506 -1.040
268 2HB SER 39 1HB SER 39 23.299 -1.123 -0.688
269 HG SER 39 HG SER 39 23.549 -3.226 -1.565
270 H GLY 40 H GLY 40 23.533 -1.127 -4.663
271 1HA GLY 40 2HA GLY 40 25.078 -0.577 -6.601
272 2HA GLY 40 1HA GLY 40 26.356 -1.173 -5.554
273 H ALA 41 H ALA 41 24.453 -3.285 -4.515
274 HA ALA 41 HA ALA 41 23.617 -4.951 -6.605
275 1HB ALA 41 1HB ALA 41 25.895 -5.126 -7.290
276 2HB ALA 41 2HB ALA 41 25.447 -6.651 -6.525
277 3HB ALA 41 3HB ALA 41 26.422 -5.475 -5.644
278 H GLY 42 H GLY 42 25.609 -5.728 -3.750
279 1HA GLY 42 2HA GLY 42 23.303 -6.467 -2.187
280 2HA GLY 42 1HA GLY 42 24.204 -7.850 -2.788
281 H SER 43 H SER 43 25.352 -4.700 -1.624
282 HA SER 43 HA SER 43 26.747 -4.112 0.070
283 1HB SER 43 2HB SER 43 25.349 -6.492 1.153
284 2HB SER 43 1HB SER 43 26.839 -6.026 1.972
285 HG SER 43 HG SER 43 24.394 -4.752 1.880
286 H ILE 44 H ILE 44 28.353 -4.515 -1.699
287 HA ILE 44 HA ILE 44 29.973 -6.898 -1.463
288 HB ILE 44 HB ILE 44 30.562 -4.420 -3.080
289 1HG1 ILE 44 2HG1 ILE 44 29.503 -6.782 -4.474
290 2HG1 ILE 44 1HG1 ILE 44 28.344 -6.007 -3.397
291 1HG2 ILE 44 1HG2 ILE 44 31.433 -7.103 -3.946
292 2HG2 ILE 44 2HG2 ILE 44 32.237 -6.440 -2.523
293 3HG2 ILE 44 3HG2 ILE 44 32.263 -5.550 -4.045
294 1HD1 ILE 44 1HD1 ILE 44 27.983 -4.407 -4.875
295 2HD1 ILE 44 2HD1 ILE 44 29.034 -5.264 -6.003
296 3HD1 ILE 44 3HD1 ILE 44 29.703 -4.022 -4.944
297 H GLY 45 H GLY 45 30.835 -3.436 -1.353
298 1HA GLY 45 2HA GLY 45 33.294 -3.858 -0.048
299 2HA GLY 45 1HA GLY 45 32.451 -2.323 -0.168
300 H ARG 46 H ARG 46 30.125 -3.908 1.224
301 HA ARG 46 HA ARG 46 29.316 -4.097 3.341
302 1HB ARG 46 2HB ARG 46 31.098 -5.816 3.542
303 2HB ARG 46 1HB ARG 46 32.201 -4.570 4.112
304 1HG ARG 46 2HG ARG 46 30.212 -4.216 5.862
305 2HG ARG 46 1HG ARG 46 29.985 -5.929 5.508
306 1HD ARG 46 2HD ARG 46 32.763 -5.475 5.858
307 2HD ARG 46 1HD ARG 46 31.919 -4.694 7.195
308 HE ARG 46 HE ARG 46 30.943 -7.327 6.747
309 1HH1 ARG 46 1HH1 ARG 46 33.598 -5.554 8.156
310 2HH1 ARG 46 2HH1 ARG 46 33.983 -6.796 9.300
311 1HH2 ARG 46 1HH2 ARG 46 31.448 -8.960 8.250
312 2HH2 ARG 46 2HH2 ARG 46 32.763 -8.728 9.353
313 H ARG 47 H ARG 47 28.582 -2.047 3.679
314 HA ARG 47 HA ARG 47 30.419 0.001 4.644
315 1HB ARG 47 2HB ARG 47 27.493 0.063 3.904
316 2HB ARG 47 1HB ARG 47 28.340 1.444 4.582
317 1HG ARG 47 2HG ARG 47 29.988 0.892 2.555
318 2HG ARG 47 1HG ARG 47 28.481 0.270 1.879
319 1HD ARG 47 2HD ARG 47 28.819 3.031 3.043
320 2HD ARG 47 1HD ARG 47 28.939 2.654 1.324
321 HE ARG 47 HE ARG 47 26.482 1.783 2.536
322 1HH1 ARG 47 1HH1 ARG 47 28.127 4.446 0.993
323 2HH1 ARG 47 2HH1 ARG 47 26.663 5.214 0.478
324 1HH2 ARG 47 1HH2 ARG 47 24.557 2.791 1.858
325 2HH2 ARG 47 2HH2 ARG 47 24.637 4.276 0.969
326 HA PRO 48 HA PRO 48 29.591 -1.057 8.915
327 1HB PRO 48 2HB PRO 48 30.378 1.776 9.351
328 2HB PRO 48 1HB PRO 48 30.997 0.307 10.114
329 1HG PRO 48 2HG PRO 48 32.431 1.589 8.273
330 2HG PRO 48 1HG PRO 48 32.403 -0.184 8.336
331 1HD PRO 48 2HD PRO 48 30.997 1.674 6.461
332 2HD PRO 48 1HD PRO 48 31.747 0.093 6.141
Start of MODEL 11
1 H VAL 1 H VAL 1 -1.284 -22.244 22.452
2 HA VAL 1 HA VAL 1 -0.505 -19.889 22.309
3 HB VAL 1 HB VAL 1 1.257 -21.831 23.846
4 1HG1 VAL 1 1HG1 VAL 1 2.535 -19.802 23.595
5 2HG1 VAL 1 2HG1 VAL 1 1.099 -18.792 23.888
6 3HG1 VAL 1 3HG1 VAL 1 1.798 -19.752 25.214
7 1HG2 VAL 1 1HG2 VAL 1 -0.150 -21.175 25.729
8 2HG2 VAL 1 2HG2 VAL 1 -1.004 -19.983 24.719
9 3HG2 VAL 1 3HG2 VAL 1 -1.193 -21.723 24.395
10 H ASN 2 H ASN 2 0.406 -21.323 19.874
11 HA ASN 2 HA ASN 2 3.208 -20.771 19.624
12 1HB ASN 2 2HB ASN 2 1.543 -22.463 18.327
13 2HB ASN 2 1HB ASN 2 1.604 -21.135 17.169
14 1HD2 ASN 2 1HD2 ASN 2 2.562 -23.282 16.161
15 2HD2 ASN 2 2HD2 ASN 2 4.289 -23.338 16.166
16 H TYR 3 H TYR 3 3.531 -18.588 19.990
17 HA TYR 3 HA TYR 3 2.074 -16.588 18.478
18 1HB TYR 3 2HB TYR 3 4.171 -16.589 20.596
19 2HB TYR 3 1HB TYR 3 4.124 -15.193 19.526
20 HD1 TYR 3 1HD TYR 3 2.695 -16.747 22.404
21 HD2 TYR 3 2HD TYR 3 1.886 -13.960 19.292
22 HE1 TYR 3 1HE TYR 3 0.856 -15.804 23.735
23 HE2 TYR 3 2HE TYR 3 0.046 -13.008 20.616
24 HH TYR 3 HH TYR 3 -0.346 -13.491 23.835
25 H GLY 4 H GLY 4 2.516 -16.875 16.292
26 1HA GLY 4 2HA GLY 4 5.346 -17.004 15.462
27 2HA GLY 4 1HA GLY 4 3.968 -17.476 14.485
28 H ASN 5 H ASN 5 2.607 -15.784 13.613
29 HA ASN 5 HA ASN 5 3.517 -13.050 13.615
30 1HB ASN 5 2HB ASN 5 3.724 -14.651 11.046
31 2HB ASN 5 1HB ASN 5 3.999 -12.924 11.210
32 1HD2 ASN 5 1HD2 ASN 5 6.030 -12.355 11.251
33 2HD2 ASN 5 2HD2 ASN 5 7.354 -13.316 11.804
34 H GLY 6 H GLY 6 1.156 -13.857 14.432
35 1HA GLY 6 2HA GLY 6 -0.681 -12.696 12.512
36 2HA GLY 6 1HA GLY 6 -0.980 -14.400 12.866
37 H VAL 7 H VAL 7 -0.320 -11.354 14.529
38 HA VAL 7 HA VAL 7 -2.595 -11.766 16.302
39 HB VAL 7 HB VAL 7 -1.139 -11.189 18.298
40 1HG1 VAL 7 1HG1 VAL 7 -0.140 -13.584 18.385
41 2HG1 VAL 7 2HG1 VAL 7 -1.008 -13.810 16.869
42 3HG1 VAL 7 3HG1 VAL 7 -1.889 -13.375 18.331
43 1HG2 VAL 7 1HG2 VAL 7 1.281 -11.956 17.996
44 2HG2 VAL 7 2HG2 VAL 7 0.839 -10.376 17.347
45 3HG2 VAL 7 3HG2 VAL 7 0.995 -11.760 16.266
46 H SER 8 H SER 8 -2.068 -9.944 14.192
47 HA SER 8 HA SER 8 -2.779 -7.506 15.378
48 1HB SER 8 2HB SER 8 -0.687 -6.213 14.672
49 2HB SER 8 1HB SER 8 -0.543 -7.210 16.120
50 HG SER 8 HG SER 8 1.202 -7.758 14.960
51 H CYS 9 H CYS 9 -3.709 -9.131 13.332
52 HA CYS 9 HA CYS 9 -4.492 -9.095 11.212
53 1HB CYS 9 2HB CYS 9 -5.307 -6.888 12.106
54 2HB CYS 9 1HB CYS 9 -3.938 -6.132 11.299
55 H SER 10 H SER 10 -1.631 -9.545 11.525
56 HA SER 10 HA SER 10 -0.301 -8.172 9.394
57 1HB SER 10 2HB SER 10 0.486 -10.733 10.807
58 2HB SER 10 1HB SER 10 1.535 -9.751 9.785
59 HG SER 10 HG SER 10 1.393 -9.516 12.292
60 H LYS 11 H LYS 11 -0.798 -11.662 9.753
61 HA LYS 11 HA LYS 11 -0.826 -12.048 6.914
62 1HB LYS 11 2HB LYS 11 -1.119 -14.421 7.470
63 2HB LYS 11 1HB LYS 11 0.207 -13.698 8.367
64 1HG LYS 11 2HG LYS 11 -0.824 -13.948 10.366
65 2HG LYS 11 1HG LYS 11 -2.434 -13.712 9.690
66 1HD LYS 11 2HD LYS 11 -2.264 -15.986 10.415
67 2HD LYS 11 1HD LYS 11 -2.244 -15.977 8.650
68 1HE LYS 11 2HE LYS 11 0.358 -15.861 10.082
69 2HE LYS 11 1HE LYS 11 -0.510 -17.396 10.068
70 1HZ LYS 11 1HZ LYS 11 -0.548 -17.322 7.660
71 2HZ LYS 11 2HZ LYS 11 1.044 -17.217 8.220
72 3HZ LYS 11 3HZ LYS 11 0.255 -15.832 7.659
73 H THR 12 H THR 12 -3.238 -11.642 9.383
74 HA THR 12 HA THR 12 -5.350 -12.738 7.724
75 HB THR 12 HB THR 12 -6.834 -12.163 9.611
76 HG1 THR 12 1HG THR 12 -6.202 -10.670 10.914
77 1HG2 THR 12 1HG2 THR 12 -5.436 -13.432 11.441
78 2HG2 THR 12 2HG2 THR 12 -4.398 -13.787 10.060
79 3HG2 THR 12 3HG2 THR 12 -6.094 -14.266 10.034
80 H LYS 13 H LYS 13 -6.811 -11.643 6.574
81 HA LYS 13 HA LYS 13 -6.311 -8.860 6.022
82 1HB LYS 13 2HB LYS 13 -6.870 -10.453 4.226
83 2HB LYS 13 1HB LYS 13 -8.448 -10.711 4.955
84 1HG LYS 13 2HG LYS 13 -8.451 -8.019 4.683
85 2HG LYS 13 1HG LYS 13 -7.473 -8.499 3.294
86 1HD LYS 13 2HD LYS 13 -9.597 -8.566 2.402
87 2HD LYS 13 1HD LYS 13 -9.385 -10.240 2.919
88 1HE LYS 13 2HE LYS 13 -10.620 -9.789 4.961
89 2HE LYS 13 1HE LYS 13 -10.776 -8.091 4.515
90 1HZ LYS 13 1HZ LYS 13 -12.350 -8.548 2.957
91 2HZ LYS 13 2HZ LYS 13 -12.675 -9.815 4.029
92 3HZ LYS 13 3HZ LYS 13 -11.765 -10.103 2.633
93 H CYS 14 H CYS 14 -7.271 -7.191 6.952
94 HA CYS 14 HA CYS 14 -9.553 -7.664 8.700
95 1HB CYS 14 2HB CYS 14 -7.626 -5.385 8.365
96 2HB CYS 14 1HB CYS 14 -9.094 -5.207 9.323
97 H SER 15 H SER 15 -8.659 -5.800 5.833
98 HA SER 15 HA SER 15 -11.485 -5.540 5.212
99 1HB SER 15 2HB SER 15 -10.465 -3.452 6.481
100 2HB SER 15 1HB SER 15 -9.933 -3.028 4.859
101 HG SER 15 HG SER 15 -12.588 -3.581 5.696
102 H VAL 16 H VAL 16 -11.945 -5.524 3.141
103 HA VAL 16 HA VAL 16 -9.942 -6.324 1.275
104 HB VAL 16 HB VAL 16 -12.210 -7.303 1.247
105 1HG1 VAL 16 1HG1 VAL 16 -13.288 -4.887 -0.113
106 2HG1 VAL 16 2HG1 VAL 16 -13.211 -4.894 1.649
107 3HG1 VAL 16 3HG1 VAL 16 -14.129 -6.138 0.802
108 1HG2 VAL 16 1HG2 VAL 16 -12.265 -7.597 -1.042
109 2HG2 VAL 16 2HG2 VAL 16 -10.616 -7.019 -0.802
110 3HG2 VAL 16 3HG2 VAL 16 -11.865 -5.912 -1.377
111 H ASN 17 H ASN 17 -8.616 -4.804 0.624
112 HA ASN 17 HA ASN 17 -9.737 -2.518 -0.825
113 1HB ASN 17 2HB ASN 17 -7.907 -2.397 1.538
114 2HB ASN 17 1HB ASN 17 -7.717 -1.207 0.250
115 1HD2 ASN 17 1HD2 ASN 17 -9.072 0.475 0.166
116 2HD2 ASN 17 2HD2 ASN 17 -10.437 0.696 1.200
117 H TRP 18 H TRP 18 -9.000 -2.777 -2.828
118 HA TRP 18 HA TRP 18 -6.808 -4.349 -3.564
119 1HB TRP 18 2HB TRP 18 -8.814 -2.957 -4.921
120 2HB TRP 18 1HB TRP 18 -7.320 -2.203 -5.478
121 HD1 TRP 18 HD TRP 18 -5.392 -4.074 -6.365
122 HE1 TRP 18 1HE TRP 18 -5.776 -6.194 -7.772
123 HE3 TRP 18 3HE TRP 18 -10.404 -4.691 -5.555
124 HZ2 TRP 18 2HZ TRP 18 -7.917 -7.898 -8.452
125 HZ3 TRP 18 3HZ TRP 18 -11.544 -6.592 -6.624
126 HH2 TRP 18 HH TRP 18 -10.324 -8.161 -8.042
127 H GLY 19 H GLY 19 -7.088 -0.804 -3.327
128 1HA GLY 19 2HA GLY 19 -4.530 -0.070 -4.057
129 2HA GLY 19 1HA GLY 19 -5.510 0.805 -2.890
130 H GLN 20 H GLN 20 -5.637 -0.866 -0.760
131 HA GLN 20 HA GLN 20 -3.143 -0.473 0.469
132 1HB GLN 20 2HB GLN 20 -5.705 -1.757 1.215
133 2HB GLN 20 1HB GLN 20 -4.289 -2.259 2.130
134 1HG GLN 20 2HG GLN 20 -5.099 -0.506 3.387
135 2HG GLN 20 1HG GLN 20 -3.861 0.274 2.404
136 1HE2 GLN 20 1HE2 GLN 20 -4.448 2.131 1.554
137 2HE2 GLN 20 2HE2 GLN 20 -6.057 2.601 1.133
138 H ALA 21 H ALA 21 -4.706 -3.548 -0.476
139 HA ALA 21 HA ALA 21 -2.620 -5.260 0.209
140 1HB ALA 21 1HB ALA 21 -3.708 -6.908 -1.035
141 2HB ALA 21 2HB ALA 21 -4.349 -5.744 -2.194
142 3HB ALA 21 3HB ALA 21 -5.007 -5.812 -0.559
143 H PHE 22 H PHE 22 -3.335 -4.102 -3.096
144 HA PHE 22 HA PHE 22 -1.098 -5.127 -4.333
145 1HB PHE 22 2HB PHE 22 -2.997 -3.949 -5.506
146 2HB PHE 22 1HB PHE 22 -2.259 -2.419 -5.026
147 HD1 PHE 22 1HD PHE 22 -1.076 -1.391 -6.636
148 HD2 PHE 22 2HD PHE 22 -1.082 -5.636 -6.511
149 HE1 PHE 22 1HE PHE 22 0.472 -1.439 -8.523
150 HE2 PHE 22 2HE PHE 22 0.467 -5.697 -8.404
151 HZ PHE 22 HZ PHE 22 1.246 -3.596 -9.432
152 H GLN 23 H GLN 23 -1.317 -2.152 -2.426
153 HA GLN 23 HA GLN 23 1.279 -1.244 -3.283
154 1HB GLN 23 2HB GLN 23 -0.684 0.207 -2.442
155 2HB GLN 23 1HB GLN 23 -0.161 -0.258 -0.828
156 1HG GLN 23 2HG GLN 23 1.952 0.793 -1.128
157 2HG GLN 23 1HG GLN 23 1.648 1.049 -2.846
158 1HE2 GLN 23 1HE2 GLN 23 0.672 1.975 0.393
159 2HE2 GLN 23 2HE2 GLN 23 0.006 3.509 -0.038
160 H GLU 24 H GLU 24 -0.056 -2.884 -0.476
161 HA GLU 24 HA GLU 24 2.312 -2.883 1.079
162 1HB GLU 24 2HB GLU 24 -0.307 -4.265 1.131
163 2HB GLU 24 1HB GLU 24 1.014 -5.131 1.898
164 1HG GLU 24 2HG GLU 24 1.231 -3.607 3.573
165 2HG GLU 24 1HG GLU 24 0.650 -2.271 2.583
166 H ARG 25 H ARG 25 1.062 -4.817 -1.503
167 HA ARG 25 HA ARG 25 2.930 -6.970 -1.256
168 1HB ARG 25 2HB ARG 25 0.499 -6.605 -2.470
169 2HB ARG 25 1HB ARG 25 1.594 -6.547 -3.844
170 1HG ARG 25 2HG ARG 25 1.659 -8.757 -1.814
171 2HG ARG 25 1HG ARG 25 0.638 -8.805 -3.252
172 1HD ARG 25 2HD ARG 25 2.548 -8.695 -4.692
173 2HD ARG 25 1HD ARG 25 3.622 -8.395 -3.327
174 HE ARG 25 HE ARG 25 2.317 -10.843 -2.922
175 1HH1 ARG 25 1HH1 ARG 25 4.699 -9.409 -5.031
176 2HH1 ARG 25 2HH1 ARG 25 5.517 -10.905 -5.331
177 1HH2 ARG 25 1HH2 ARG 25 3.395 -12.815 -3.317
178 2HH2 ARG 25 2HH2 ARG 25 4.778 -12.838 -4.359
179 H TYR 26 H TYR 26 2.437 -4.418 -3.712
180 HA TYR 26 HA TYR 26 4.907 -5.002 -5.023
181 1HB TYR 26 2HB TYR 26 4.154 -3.664 -6.670
182 2HB TYR 26 1HB TYR 26 2.636 -3.885 -5.826
183 HD1 TYR 26 1HD TYR 26 1.529 -2.080 -4.852
184 HD2 TYR 26 2HD TYR 26 5.400 -1.506 -6.403
185 HE1 TYR 26 1HE TYR 26 1.160 0.326 -4.728
186 HE2 TYR 26 2HE TYR 26 5.092 0.918 -6.257
187 HH TYR 26 HH TYR 26 2.393 2.359 -4.656
188 H THR 27 H THR 27 3.900 -2.038 -3.215
189 HA THR 27 HA THR 27 6.346 -0.754 -3.288
190 HB THR 27 HB THR 27 4.684 -0.675 -0.791
191 HG1 THR 27 1HG THR 27 3.732 1.070 -2.563
192 1HG2 THR 27 1HG2 THR 27 6.733 0.950 -1.869
193 2HG2 THR 27 2HG2 THR 27 5.810 1.179 -0.385
194 3HG2 THR 27 3HG2 THR 27 5.235 1.880 -1.896
195 H ALA 28 H ALA 28 5.329 -3.406 -1.248
196 HA ALA 28 HA ALA 28 7.438 -3.331 0.613
197 1HB ALA 28 1HB ALA 28 5.621 -5.509 -0.354
198 2HB ALA 28 2HB ALA 28 5.646 -4.697 1.211
199 3HB ALA 28 3HB ALA 28 6.916 -5.846 0.793
200 H GLY 29 H GLY 29 7.065 -5.325 -2.324
201 1HA GLY 29 2HA GLY 29 9.732 -6.344 -2.197
202 2HA GLY 29 1HA GLY 29 8.628 -6.484 -3.560
203 H ILE 30 H ILE 30 8.203 -3.665 -3.889
204 HA ILE 30 HA ILE 30 10.403 -3.072 -5.593
205 HB ILE 30 HB ILE 30 8.089 -1.338 -4.712
206 1HG1 ILE 30 2HG1 ILE 30 7.462 -3.369 -5.975
207 2HG1 ILE 30 1HG1 ILE 30 7.131 -1.898 -6.881
208 1HG2 ILE 30 1HG2 ILE 30 10.047 -0.896 -6.964
209 2HG2 ILE 30 2HG2 ILE 30 9.983 0.022 -5.460
210 3HG2 ILE 30 3HG2 ILE 30 8.639 0.101 -6.599
211 1HD1 ILE 30 1HD1 ILE 30 8.053 -3.552 -8.346
212 2HD1 ILE 30 2HD1 ILE 30 9.444 -3.773 -7.284
213 3HD1 ILE 30 3HD1 ILE 30 9.221 -2.246 -8.139
214 H ASN 31 H ASN 31 9.424 -1.984 -2.372
215 HA ASN 31 HA ASN 31 11.202 0.184 -2.158
216 1HB ASN 31 2HB ASN 31 9.355 -0.228 -0.549
217 2HB ASN 31 1HB ASN 31 10.234 -1.624 0.080
218 1HD2 ASN 31 1HD2 ASN 31 9.799 1.730 0.240
219 2HD2 ASN 31 2HD2 ASN 31 11.074 2.084 1.351
220 H SER 32 H SER 32 11.535 -3.211 -1.152
221 HA SER 32 HA SER 32 14.135 -3.034 -0.161
222 1HB SER 32 2HB SER 32 14.248 -5.478 -0.489
223 2HB SER 32 1HB SER 32 12.701 -4.994 0.207
224 HG SER 32 HG SER 32 13.235 -5.656 -2.498
225 H PHE 33 H PHE 33 13.007 -3.696 -3.453
226 HA PHE 33 HA PHE 33 15.427 -4.312 -4.652
227 1HB PHE 33 2HB PHE 33 14.057 -4.471 -6.418
228 2HB PHE 33 1HB PHE 33 12.781 -3.692 -5.498
229 HD1 PHE 33 1HD PHE 33 11.861 -1.736 -6.322
230 HD2 PHE 33 2HD PHE 33 15.769 -2.842 -7.560
231 HE1 PHE 33 1HE PHE 33 11.889 0.140 -7.890
232 HE2 PHE 33 2HE PHE 33 15.797 -0.968 -9.144
233 HZ PHE 33 HZ PHE 33 13.854 0.528 -9.310
234 H VAL 34 H VAL 34 14.049 -1.170 -3.869
235 HA VAL 34 HA VAL 34 15.874 0.498 -5.203
236 HB VAL 34 HB VAL 34 14.697 1.208 -2.540
237 1HG1 VAL 34 1HG1 VAL 34 14.527 3.432 -3.639
238 2HG1 VAL 34 2HG1 VAL 34 15.372 2.754 -5.030
239 3HG1 VAL 34 3HG1 VAL 34 16.176 2.832 -3.464
240 1HG2 VAL 34 1HG2 VAL 34 12.954 2.015 -4.641
241 2HG2 VAL 34 2HG2 VAL 34 12.617 0.968 -3.263
242 3HG2 VAL 34 3HG2 VAL 34 13.207 0.275 -4.764
243 H SER 35 H SER 35 15.862 -0.349 -1.764
244 HA SER 35 HA SER 35 18.303 0.784 -1.113
245 1HB SER 35 2HB SER 35 17.359 -1.821 0.066
246 2HB SER 35 1HB SER 35 18.300 -0.549 0.845
247 HG SER 35 HG SER 35 16.506 0.413 1.348
248 H GLY 36 H GLY 36 17.633 -2.443 -2.405
249 1HA GLY 36 2HA GLY 36 20.233 -3.486 -2.249
250 2HA GLY 36 1HA GLY 36 19.001 -4.001 -3.396
251 H VAL 37 H VAL 37 18.638 -1.669 -4.855
252 HA VAL 37 HA VAL 37 20.980 -1.742 -6.548
253 HB VAL 37 HB VAL 37 19.728 -0.243 -8.027
254 1HG1 VAL 37 1HG1 VAL 37 18.214 -1.816 -8.781
255 2HG1 VAL 37 2HG1 VAL 37 17.761 -2.317 -7.154
256 3HG1 VAL 37 3HG1 VAL 37 19.324 -2.792 -7.820
257 1HG2 VAL 37 1HG2 VAL 37 17.470 0.480 -7.503
258 2HG2 VAL 37 2HG2 VAL 37 18.604 1.096 -6.301
259 3HG2 VAL 37 3HG2 VAL 37 17.572 -0.282 -5.917
260 H ALA 38 H ALA 38 19.668 0.335 -4.094
261 HA ALA 38 HA ALA 38 21.045 2.713 -4.847
262 1HB ALA 38 1HB ALA 38 19.255 3.196 -3.522
263 2HB ALA 38 2HB ALA 38 20.532 3.200 -2.306
264 3HB ALA 38 3HB ALA 38 19.493 1.786 -2.491
265 H SER 39 H SER 39 21.937 -0.123 -3.045
266 HA SER 39 HA SER 39 24.042 0.922 -1.514
267 1HB SER 39 2HB SER 39 24.879 -1.415 -1.440
268 2HB SER 39 1HB SER 39 23.154 -1.300 -1.089
269 HG SER 39 HG SER 39 24.136 -1.838 -3.686
270 H GLY 40 H GLY 40 23.834 0.098 -4.887
271 1HA GLY 40 2HA GLY 40 25.297 0.897 -6.540
272 2HA GLY 40 1HA GLY 40 26.494 1.230 -5.299
273 H ALA 41 H ALA 41 24.789 -1.825 -5.798
274 HA ALA 41 HA ALA 41 27.039 -3.039 -7.136
275 1HB ALA 41 1HB ALA 41 27.439 -4.741 -5.391
276 2HB ALA 41 2HB ALA 41 26.371 -3.848 -4.309
277 3HB ALA 41 3HB ALA 41 27.872 -3.112 -4.873
278 H GLY 42 H GLY 42 24.504 -4.328 -4.977
279 1HA GLY 42 2HA GLY 42 22.449 -4.992 -6.479
280 2HA GLY 42 1HA GLY 42 23.643 -6.094 -7.153
281 H SER 43 H SER 43 21.717 -5.306 -4.347
282 HA SER 43 HA SER 43 22.682 -7.257 -2.586
283 1HB SER 43 2HB SER 43 20.048 -5.826 -2.823
284 2HB SER 43 1HB SER 43 20.292 -7.076 -1.605
285 HG SER 43 HG SER 43 21.282 -5.630 -0.470
286 H ILE 44 H ILE 44 19.552 -7.434 -4.288
287 HA ILE 44 HA ILE 44 19.208 -10.174 -3.864
288 HB ILE 44 HB ILE 44 17.696 -9.979 -6.003
289 1HG1 ILE 44 2HG1 ILE 44 17.312 -7.154 -5.404
290 2HG1 ILE 44 1HG1 ILE 44 18.901 -7.467 -6.091
291 1HG2 ILE 44 1HG2 ILE 44 16.831 -10.258 -3.783
292 2HG2 ILE 44 2HG2 ILE 44 15.917 -8.987 -4.594
293 3HG2 ILE 44 3HG2 ILE 44 17.145 -8.565 -3.401
294 1HD1 ILE 44 1HD1 ILE 44 18.014 -8.275 -8.079
295 2HD1 ILE 44 2HD1 ILE 44 16.970 -6.913 -7.673
296 3HD1 ILE 44 3HD1 ILE 44 16.427 -8.562 -7.365
297 H GLY 45 H GLY 45 19.924 -8.695 -7.038
298 1HA GLY 45 2HA GLY 45 21.085 -9.514 -8.840
299 2HA GLY 45 1HA GLY 45 22.162 -10.214 -7.646
300 H ARG 46 H ARG 46 18.821 -11.151 -7.708
301 HA ARG 46 HA ARG 46 19.647 -13.840 -8.488
302 1HB ARG 46 2HB ARG 46 18.119 -13.120 -6.432
303 2HB ARG 46 1HB ARG 46 16.854 -13.229 -7.646
304 1HG ARG 46 2HG ARG 46 16.904 -15.464 -7.674
305 2HG ARG 46 1HG ARG 46 18.666 -15.523 -7.610
306 1HD ARG 46 2HD ARG 46 18.696 -15.764 -5.379
307 2HD ARG 46 1HD ARG 46 17.408 -14.585 -5.139
308 HE ARG 46 HE ARG 46 17.130 -17.445 -5.377
309 1HH1 ARG 46 1HH1 ARG 46 15.511 -14.361 -5.608
310 2HH1 ARG 46 2HH1 ARG 46 13.936 -15.028 -5.343
311 1HH2 ARG 46 1HH2 ARG 46 15.057 -18.323 -5.032
312 2HH2 ARG 46 2HH2 ARG 46 13.678 -17.277 -5.016
313 H ARG 47 H ARG 47 17.148 -11.445 -9.285
314 HA ARG 47 HA ARG 47 17.080 -12.520 -12.013
315 1HB ARG 47 2HB ARG 47 14.570 -11.737 -10.532
316 2HB ARG 47 1HB ARG 47 14.692 -12.505 -12.108
317 1HG ARG 47 2HG ARG 47 15.946 -14.350 -10.647
318 2HG ARG 47 1HG ARG 47 14.886 -13.676 -9.405
319 1HD ARG 47 2HD ARG 47 13.028 -14.522 -10.355
320 2HD ARG 47 1HD ARG 47 13.602 -14.216 -11.994
321 HE ARG 47 HE ARG 47 15.158 -16.270 -11.129
322 1HH1 ARG 47 1HH1 ARG 47 11.712 -15.756 -11.324
323 2HH1 ARG 47 2HH1 ARG 47 11.349 -17.434 -11.547
324 1HH2 ARG 47 1HH2 ARG 47 14.683 -18.477 -11.420
325 2HH2 ARG 47 2HH2 ARG 47 13.035 -18.979 -11.600
326 HA PRO 48 HA PRO 48 17.280 -8.300 -13.242
327 1HB PRO 48 2HB PRO 48 15.824 -8.301 -15.541
328 2HB PRO 48 1HB PRO 48 17.443 -9.000 -15.425
329 1HG PRO 48 2HG PRO 48 14.777 -10.360 -15.326
330 2HG PRO 48 1HG PRO 48 16.256 -10.854 -16.171
331 1HD PRO 48 2HD PRO 48 15.498 -11.943 -13.816
332 2HD PRO 48 1HD PRO 48 17.207 -11.731 -14.261
Start of MODEL 12
1 H VAL 1 H VAL 1 -17.684 -16.987 -1.630
2 HA VAL 1 HA VAL 1 -17.055 -18.972 -0.275
3 HB VAL 1 HB VAL 1 -18.522 -18.553 1.637
4 1HG1 VAL 1 1HG1 VAL 1 -16.935 -16.826 1.401
5 2HG1 VAL 1 2HG1 VAL 1 -17.692 -16.207 -0.087
6 3HG1 VAL 1 3HG1 VAL 1 -18.477 -15.942 1.489
7 1HG2 VAL 1 1HG2 VAL 1 -20.511 -17.088 1.367
8 2HG2 VAL 1 2HG2 VAL 1 -20.251 -17.075 -0.394
9 3HG2 VAL 1 3HG2 VAL 1 -20.674 -18.594 0.431
10 H ASN 2 H ASN 2 -18.136 -20.842 0.967
11 HA ASN 2 HA ASN 2 -20.438 -22.027 -0.257
12 1HB ASN 2 2HB ASN 2 -18.102 -22.518 -1.592
13 2HB ASN 2 1HB ASN 2 -18.211 -23.911 -0.524
14 1HD2 ASN 2 1HD2 ASN 2 -18.494 -25.194 -2.394
15 2HD2 ASN 2 2HD2 ASN 2 -20.030 -25.286 -3.179
16 H TYR 3 H TYR 3 -19.358 -21.332 2.438
17 HA TYR 3 HA TYR 3 -18.868 -23.849 3.750
18 1HB TYR 3 2HB TYR 3 -19.444 -21.158 5.038
19 2HB TYR 3 1HB TYR 3 -18.604 -22.538 5.757
20 HD1 TYR 3 1HD TYR 3 -16.398 -23.274 4.683
21 HD2 TYR 3 2HD TYR 3 -18.233 -19.534 3.841
22 HE1 TYR 3 1HE TYR 3 -14.281 -22.449 3.756
23 HE2 TYR 3 2HE TYR 3 -16.120 -18.695 2.918
24 HH TYR 3 HH TYR 3 -13.194 -20.129 3.414
25 H GLY 4 H GLY 4 -20.231 -24.225 5.896
26 1HA GLY 4 2HA GLY 4 -23.103 -24.117 5.117
27 2HA GLY 4 1HA GLY 4 -22.354 -25.523 5.857
28 H ASN 5 H ASN 5 -20.828 -24.084 7.813
29 HA ASN 5 HA ASN 5 -22.592 -22.458 9.365
30 1HB ASN 5 2HB ASN 5 -22.178 -25.347 10.110
31 2HB ASN 5 1HB ASN 5 -22.536 -24.130 11.332
32 1HD2 ASN 5 1HD2 ASN 5 -24.038 -26.473 10.293
33 2HD2 ASN 5 2HD2 ASN 5 -25.588 -25.853 9.848
34 H GLY 6 H GLY 6 -20.338 -21.637 8.578
35 1HA GLY 6 2HA GLY 6 -18.735 -21.366 10.954
36 2HA GLY 6 1HA GLY 6 -17.916 -22.208 9.639
37 H VAL 7 H VAL 7 -18.338 -21.034 7.432
38 HA VAL 7 HA VAL 7 -17.672 -19.312 6.153
39 HB VAL 7 HB VAL 7 -18.793 -17.103 6.608
40 1HG1 VAL 7 1HG1 VAL 7 -20.424 -19.617 6.330
41 2HG1 VAL 7 2HG1 VAL 7 -19.725 -18.639 5.041
42 3HG1 VAL 7 3HG1 VAL 7 -21.044 -17.996 6.018
43 1HG2 VAL 7 1HG2 VAL 7 -20.309 -18.642 8.708
44 2HG2 VAL 7 2HG2 VAL 7 -20.517 -16.953 8.247
45 3HG2 VAL 7 3HG2 VAL 7 -19.046 -17.466 9.071
46 H SER 8 H SER 8 -15.498 -19.337 6.591
47 HA SER 8 HA SER 8 -14.552 -17.010 8.081
48 1HB SER 8 2HB SER 8 -14.277 -18.571 9.805
49 2HB SER 8 1HB SER 8 -13.808 -19.860 8.694
50 HG SER 8 HG SER 8 -12.279 -17.537 9.263
51 H CYS 9 H CYS 9 -14.038 -16.149 6.054
52 HA CYS 9 HA CYS 9 -12.461 -17.446 4.117
53 1HB CYS 9 2HB CYS 9 -13.205 -14.613 4.703
54 2HB CYS 9 1HB CYS 9 -11.899 -14.918 3.562
55 H SER 10 H SER 10 -10.459 -18.147 4.362
56 HA SER 10 HA SER 10 -8.341 -16.476 5.167
57 1HB SER 10 2HB SER 10 -7.752 -18.052 7.195
58 2HB SER 10 1HB SER 10 -8.832 -16.673 7.403
59 HG SER 10 HG SER 10 -9.409 -19.405 7.364
60 H LYS 11 H LYS 11 -9.492 -19.795 4.807
61 HA LYS 11 HA LYS 11 -6.884 -20.836 4.198
62 1HB LYS 11 2HB LYS 11 -8.774 -22.178 5.200
63 2HB LYS 11 1HB LYS 11 -9.557 -22.122 3.629
64 1HG LYS 11 2HG LYS 11 -7.381 -23.148 2.734
65 2HG LYS 11 1HG LYS 11 -7.038 -23.528 4.421
66 1HD LYS 11 2HD LYS 11 -9.525 -24.359 2.925
67 2HD LYS 11 1HD LYS 11 -8.127 -25.393 3.230
68 1HE LYS 11 2HE LYS 11 -8.519 -25.436 5.539
69 2HE LYS 11 1HE LYS 11 -9.593 -24.039 5.469
70 1HZ LYS 11 1HZ LYS 11 -10.155 -26.841 4.913
71 2HZ LYS 11 2HZ LYS 11 -10.921 -25.712 3.914
72 3HZ LYS 11 3HZ LYS 11 -11.148 -25.650 5.588
73 H THR 12 H THR 12 -9.836 -20.200 2.320
74 HA THR 12 HA THR 12 -8.390 -20.593 -0.168
75 HB THR 12 HB THR 12 -10.609 -20.189 -1.225
76 HG1 THR 12 1HG THR 12 -11.560 -18.832 0.255
77 1HG2 THR 12 1HG2 THR 12 -11.824 -22.127 -0.287
78 2HG2 THR 12 2HG2 THR 12 -10.611 -22.223 0.989
79 3HG2 THR 12 3HG2 THR 12 -10.144 -22.472 -0.695
80 H LYS 13 H LYS 13 -9.434 -18.782 -1.882
81 HA LYS 13 HA LYS 13 -8.056 -16.364 -1.124
82 1HB LYS 13 2HB LYS 13 -8.706 -15.627 -3.443
83 2HB LYS 13 1HB LYS 13 -7.746 -17.100 -3.373
84 1HG LYS 13 2HG LYS 13 -9.468 -18.424 -4.078
85 2HG LYS 13 1HG LYS 13 -10.707 -17.357 -3.416
86 1HD LYS 13 2HD LYS 13 -10.416 -15.796 -5.208
87 2HD LYS 13 1HD LYS 13 -8.997 -16.663 -5.799
88 1HE LYS 13 2HE LYS 13 -11.842 -17.661 -5.772
89 2HE LYS 13 1HE LYS 13 -10.912 -17.174 -7.188
90 1HZ LYS 13 1HZ LYS 13 -10.830 -19.507 -7.118
91 2HZ LYS 13 2HZ LYS 13 -10.493 -19.543 -5.461
92 3HZ LYS 13 3HZ LYS 13 -9.319 -19.001 -6.551
93 H CYS 14 H CYS 14 -8.964 -14.608 -0.218
94 HA CYS 14 HA CYS 14 -11.701 -13.897 -0.854
95 1HB CYS 14 2HB CYS 14 -11.368 -15.542 1.273
96 2HB CYS 14 1HB CYS 14 -11.242 -13.962 2.048
97 H SER 15 H SER 15 -11.450 -11.858 -1.427
98 HA SER 15 HA SER 15 -10.823 -9.841 0.441
99 1HB SER 15 2HB SER 15 -8.806 -8.919 -0.782
100 2HB SER 15 1HB SER 15 -8.506 -10.388 0.145
101 HG SER 15 HG SER 15 -7.613 -10.794 -1.793
102 H VAL 16 H VAL 16 -10.218 -7.709 -1.020
103 HA VAL 16 HA VAL 16 -11.489 -7.655 -3.557
104 HB VAL 16 HB VAL 16 -13.470 -7.781 -2.114
105 1HG1 VAL 16 1HG1 VAL 16 -12.491 -5.167 -0.988
106 2HG1 VAL 16 2HG1 VAL 16 -12.506 -6.720 -0.146
107 3HG1 VAL 16 3HG1 VAL 16 -14.024 -5.957 -0.620
108 1HG2 VAL 16 1HG2 VAL 16 -13.477 -4.990 -3.144
109 2HG2 VAL 16 2HG2 VAL 16 -14.674 -6.272 -3.333
110 3HG2 VAL 16 3HG2 VAL 16 -13.187 -6.310 -4.279
111 H ASN 17 H ASN 17 -10.506 -5.770 -0.726
112 HA ASN 17 HA ASN 17 -10.060 -3.333 -2.085
113 1HB ASN 17 2HB ASN 17 -9.767 -4.293 0.566
114 2HB ASN 17 1HB ASN 17 -8.223 -3.587 0.091
115 1HD2 ASN 17 1HD2 ASN 17 -11.661 -2.972 0.431
116 2HD2 ASN 17 2HD2 ASN 17 -11.532 -1.255 0.562
117 H TRP 18 H TRP 18 -8.955 -3.706 -3.921
118 HA TRP 18 HA TRP 18 -6.605 -5.238 -4.123
119 1HB TRP 18 2HB TRP 18 -8.331 -4.109 -5.921
120 2HB TRP 18 1HB TRP 18 -6.914 -3.080 -6.110
121 HD1 TRP 18 HD TRP 18 -4.592 -4.360 -6.804
122 HE1 TRP 18 1HE TRP 18 -4.222 -6.496 -8.184
123 HE3 TRP 18 3HE TRP 18 -9.320 -6.312 -6.587
124 HZ2 TRP 18 2HZ TRP 18 -5.722 -8.707 -9.070
125 HZ3 TRP 18 3HZ TRP 18 -9.765 -8.441 -7.740
126 HH2 TRP 18 HH TRP 18 -8.001 -9.612 -8.955
127 H GLY 19 H GLY 19 -7.136 -1.749 -3.729
128 1HA GLY 19 2HA GLY 19 -4.567 -0.788 -4.060
129 2HA GLY 19 1HA GLY 19 -5.763 -0.068 -2.996
130 H GLN 20 H GLN 20 -6.022 -1.534 -0.877
131 HA GLN 20 HA GLN 20 -3.746 -1.109 0.634
132 1HB GLN 20 2HB GLN 20 -6.234 -1.730 1.314
133 2HB GLN 20 1HB GLN 20 -5.548 -3.344 1.450
134 1HG GLN 20 2HG GLN 20 -5.287 -2.570 3.588
135 2HG GLN 20 1HG GLN 20 -3.728 -2.146 2.882
136 1HE2 GLN 20 1HE2 GLN 20 -4.922 -0.942 5.168
137 2HE2 GLN 20 2HE2 GLN 20 -5.190 0.724 4.799
138 H ALA 21 H ALA 21 -4.777 -4.114 -0.941
139 HA ALA 21 HA ALA 21 -2.655 -5.715 0.062
140 1HB ALA 21 1HB ALA 21 -4.270 -6.115 -2.453
141 2HB ALA 21 2HB ALA 21 -4.764 -6.626 -0.839
142 3HB ALA 21 3HB ALA 21 -3.337 -7.339 -1.591
143 H PHE 22 H PHE 22 -3.151 -4.477 -3.250
144 HA PHE 22 HA PHE 22 -0.686 -5.195 -4.261
145 1HB PHE 22 2HB PHE 22 -2.613 -4.222 -5.593
146 2HB PHE 22 1HB PHE 22 -2.077 -2.628 -5.055
147 HD1 PHE 22 1HD PHE 22 -0.885 -1.483 -6.550
148 HD2 PHE 22 2HD PHE 22 -0.454 -5.699 -6.408
149 HE1 PHE 22 1HE PHE 22 0.831 -1.354 -8.274
150 HE2 PHE 22 2HE PHE 22 1.267 -5.590 -8.135
151 HZ PHE 22 HZ PHE 22 1.915 -3.409 -9.096
152 H GLN 23 H GLN 23 -1.416 -2.389 -2.243
153 HA GLN 23 HA GLN 23 1.022 -1.047 -2.959
154 1HB GLN 23 2HB GLN 23 -1.097 0.078 -2.126
155 2HB GLN 23 1HB GLN 23 -0.658 -0.483 -0.518
156 1HG GLN 23 2HG GLN 23 1.437 0.761 -0.647
157 2HG GLN 23 1HG GLN 23 1.007 1.321 -2.262
158 1HE2 GLN 23 1HE2 GLN 23 1.348 3.433 -1.238
159 2HE2 GLN 23 2HE2 GLN 23 0.026 4.166 -0.400
160 H GLU 24 H GLU 24 -0.030 -3.120 -0.323
161 HA GLU 24 HA GLU 24 2.354 -2.776 1.227
162 1HB GLU 24 2HB GLU 24 -0.050 -3.600 1.924
163 2HB GLU 24 1HB GLU 24 0.584 -5.178 1.479
164 1HG GLU 24 2HG GLU 24 1.748 -3.316 3.534
165 2HG GLU 24 1HG GLU 24 0.808 -4.769 3.860
166 H ARG 25 H ARG 25 1.214 -4.940 -1.241
167 HA ARG 25 HA ARG 25 3.321 -6.862 -1.023
168 1HB ARG 25 2HB ARG 25 0.837 -6.724 -2.250
169 2HB ARG 25 1HB ARG 25 1.950 -6.655 -3.606
170 1HG ARG 25 2HG ARG 25 3.068 -8.702 -2.488
171 2HG ARG 25 1HG ARG 25 1.547 -8.839 -1.606
172 1HD ARG 25 2HD ARG 25 0.544 -9.753 -3.367
173 2HD ARG 25 1HD ARG 25 1.035 -8.413 -4.401
174 HE ARG 25 HE ARG 25 2.289 -11.003 -4.186
175 1HH1 ARG 25 1HH1 ARG 25 2.687 -7.679 -5.173
176 2HH1 ARG 25 2HH1 ARG 25 3.975 -8.030 -6.274
177 1HH2 ARG 25 1HH2 ARG 25 3.981 -11.466 -5.637
178 2HH2 ARG 25 2HH2 ARG 25 4.711 -10.178 -6.538
179 H TYR 26 H TYR 26 2.452 -4.463 -3.481
180 HA TYR 26 HA TYR 26 4.798 -4.735 -4.999
181 1HB TYR 26 2HB TYR 26 3.677 -3.491 -6.450
182 2HB TYR 26 1HB TYR 26 2.356 -3.599 -5.300
183 HD1 TYR 26 1HD TYR 26 5.267 -1.448 -6.138
184 HD2 TYR 26 2HD TYR 26 1.369 -1.643 -4.551
185 HE1 TYR 26 1HE TYR 26 5.158 0.983 -6.067
186 HE2 TYR 26 2HE TYR 26 1.215 0.770 -4.476
187 HH TYR 26 HH TYR 26 2.850 2.754 -6.074
188 H THR 27 H THR 27 3.865 -1.937 -2.921
189 HA THR 27 HA THR 27 6.260 -0.557 -3.195
190 HB THR 27 HB THR 27 4.727 -0.588 -0.606
191 HG1 THR 27 1HG THR 27 3.180 0.662 -1.523
192 1HG2 THR 27 1HG2 THR 27 5.091 1.978 -1.100
193 2HG2 THR 27 2HG2 THR 27 6.463 1.352 -2.016
194 3HG2 THR 27 3HG2 THR 27 6.316 0.996 -0.296
195 H ALA 28 H ALA 28 5.464 -3.218 -1.042
196 HA ALA 28 HA ALA 28 7.733 -3.099 0.601
197 1HB ALA 28 1HB ALA 28 7.317 -5.608 0.849
198 2HB ALA 28 2HB ALA 28 5.950 -5.365 -0.237
199 3HB ALA 28 3HB ALA 28 6.006 -4.522 1.310
200 H GLY 29 H GLY 29 7.198 -4.665 -2.526
201 1HA GLY 29 2HA GLY 29 9.873 -5.780 -2.606
202 2HA GLY 29 1HA GLY 29 8.666 -5.853 -3.881
203 H ILE 30 H ILE 30 8.127 -3.219 -4.356
204 HA ILE 30 HA ILE 30 10.273 -2.467 -6.010
205 HB ILE 30 HB ILE 30 7.895 -0.842 -5.090
206 1HG1 ILE 30 2HG1 ILE 30 8.428 -2.642 -7.448
207 2HG1 ILE 30 1HG1 ILE 30 7.103 -2.719 -6.292
208 1HG2 ILE 30 1HG2 ILE 30 9.697 0.615 -5.859
209 2HG2 ILE 30 2HG2 ILE 30 8.353 0.612 -7.002
210 3HG2 ILE 30 3HG2 ILE 30 9.814 -0.310 -7.357
211 1HD1 ILE 30 1HD1 ILE 30 5.957 -1.801 -7.990
212 2HD1 ILE 30 2HD1 ILE 30 7.399 -1.111 -8.737
213 3HD1 ILE 30 3HD1 ILE 30 6.641 -0.301 -7.364
214 H ASN 31 H ASN 31 9.507 -1.727 -2.699
215 HA ASN 31 HA ASN 31 11.216 0.577 -2.515
216 1HB ASN 31 2HB ASN 31 9.295 0.198 -0.965
217 2HB ASN 31 1HB ASN 31 10.166 -1.173 -0.271
218 1HD2 ASN 31 1HD2 ASN 31 9.260 1.478 0.802
219 2HD2 ASN 31 2HD2 ASN 31 10.673 2.150 1.538
220 H SER 32 H SER 32 11.447 -2.777 -1.310
221 HA SER 32 HA SER 32 14.071 -2.543 -0.340
222 1HB SER 32 2HB SER 32 12.542 -4.368 0.314
223 2HB SER 32 1HB SER 32 12.660 -5.045 -1.313
224 HG SER 32 HG SER 32 14.120 -5.829 0.508
225 H PHE 33 H PHE 33 12.829 -3.369 -3.522
226 HA PHE 33 HA PHE 33 15.157 -4.400 -4.670
227 1HB PHE 33 2HB PHE 33 13.630 -4.647 -6.296
228 2HB PHE 33 1HB PHE 33 12.591 -3.418 -5.591
229 HD1 PHE 33 1HD PHE 33 15.432 -3.957 -7.892
230 HD2 PHE 33 2HD PHE 33 12.442 -1.263 -6.530
231 HE1 PHE 33 1HE PHE 33 15.938 -2.449 -9.768
232 HE2 PHE 33 2HE PHE 33 12.939 0.247 -8.402
233 HZ PHE 33 HZ PHE 33 14.691 -0.343 -10.024
234 H VAL 34 H VAL 34 14.140 -1.078 -4.124
235 HA VAL 34 HA VAL 34 16.185 0.159 -5.679
236 HB VAL 34 HB VAL 34 14.877 1.479 -3.329
237 1HG1 VAL 34 1HG1 VAL 34 14.900 3.365 -5.093
238 2HG1 VAL 34 2HG1 VAL 34 16.062 2.338 -5.933
239 3HG1 VAL 34 3HG1 VAL 34 16.407 2.909 -4.301
240 1HG2 VAL 34 1HG2 VAL 34 13.314 2.023 -5.597
241 2HG2 VAL 34 2HG2 VAL 34 12.843 1.121 -4.156
242 3HG2 VAL 34 3HG2 VAL 34 13.504 0.272 -5.550
243 H SER 35 H SER 35 15.782 0.059 -2.153
244 HA SER 35 HA SER 35 18.285 1.016 -1.479
245 1HB SER 35 2HB SER 35 16.580 -1.017 -0.036
246 2HB SER 35 1HB SER 35 17.990 -0.229 0.670
247 HG SER 35 HG SER 35 15.492 0.681 0.512
248 H GLY 36 H GLY 36 17.317 -2.273 -2.311
249 1HA GLY 36 2HA GLY 36 19.694 -3.595 -1.599
250 2HA GLY 36 1HA GLY 36 18.555 -4.141 -2.822
251 H VAL 37 H VAL 37 18.703 -2.057 -4.628
252 HA VAL 37 HA VAL 37 21.202 -2.665 -5.944
253 HB VAL 37 HB VAL 37 20.333 -1.354 -7.808
254 1HG1 VAL 37 1HG1 VAL 37 19.563 -3.529 -7.942
255 2HG1 VAL 37 2HG1 VAL 37 18.070 -2.596 -8.040
256 3HG1 VAL 37 3HG1 VAL 37 18.534 -3.364 -6.520
257 1HG2 VAL 37 1HG2 VAL 37 19.216 0.369 -6.317
258 2HG2 VAL 37 2HG2 VAL 37 17.873 -0.765 -6.178
259 3HG2 VAL 37 3HG2 VAL 37 18.321 -0.119 -7.755
260 H ALA 38 H ALA 38 19.838 -0.063 -4.084
261 HA ALA 38 HA ALA 38 21.722 1.929 -4.947
262 1HB ALA 38 1HB ALA 38 20.736 3.165 -2.929
263 2HB ALA 38 2HB ALA 38 19.630 1.797 -2.805
264 3HB ALA 38 3HB ALA 38 19.656 2.778 -4.270
265 H SER 39 H SER 39 21.691 -0.566 -2.564
266 HA SER 39 HA SER 39 23.669 0.624 -0.851
267 1HB SER 39 2HB SER 39 23.602 -1.449 0.371
268 2HB SER 39 1HB SER 39 21.950 -1.022 -0.070
269 HG SER 39 HG SER 39 23.424 -3.196 -0.770
270 H GLY 40 H GLY 40 23.675 -1.556 -3.593
271 1HA GLY 40 2HA GLY 40 25.545 -1.833 -5.007
272 2HA GLY 40 1HA GLY 40 26.592 -1.328 -3.691
273 H ALA 41 H ALA 41 24.083 -3.747 -3.328
274 HA ALA 41 HA ALA 41 24.145 -5.986 -2.914
275 1HB ALA 41 1HB ALA 41 26.857 -5.909 -4.220
276 2HB ALA 41 2HB ALA 41 25.322 -6.102 -5.066
277 3HB ALA 41 3HB ALA 41 25.867 -7.340 -3.934
278 H GLY 42 H GLY 42 25.765 -3.823 -1.265
279 1HA GLY 42 2HA GLY 42 26.115 -5.118 1.072
280 2HA GLY 42 1HA GLY 42 27.592 -5.519 0.211
281 H SER 43 H SER 43 25.627 -2.576 0.746
282 HA SER 43 HA SER 43 27.561 -1.250 2.283
283 1HB SER 43 2HB SER 43 27.838 -0.981 -0.663
284 2HB SER 43 1HB SER 43 27.990 0.498 0.286
285 HG SER 43 HG SER 43 29.981 -0.205 0.460
286 H ILE 44 H ILE 44 25.359 -1.055 3.205
287 HA ILE 44 HA ILE 44 23.398 0.591 1.972
288 HB ILE 44 HB ILE 44 23.674 0.074 4.930
289 1HG1 ILE 44 2HG1 ILE 44 21.798 -1.710 3.920
290 2HG1 ILE 44 1HG1 ILE 44 23.103 -1.769 2.741
291 1HG2 ILE 44 1HG2 ILE 44 22.051 1.771 4.386
292 2HG2 ILE 44 2HG2 ILE 44 21.211 0.301 4.880
293 3HG2 ILE 44 3HG2 ILE 44 21.313 0.726 3.172
294 1HD1 ILE 44 1HD1 ILE 44 23.174 -2.445 5.654
295 2HD1 ILE 44 2HD1 ILE 44 24.648 -2.093 4.750
296 3HD1 ILE 44 3HD1 ILE 44 23.618 -3.441 4.270
297 H GLY 45 H GLY 45 25.885 1.218 4.435
298 1HA GLY 45 2HA GLY 45 25.215 4.087 4.315
299 2HA GLY 45 1HA GLY 45 26.119 3.301 5.597
300 H ARG 46 H ARG 46 26.931 2.463 2.350
301 HA ARG 46 HA ARG 46 28.839 2.748 1.149
302 1HB ARG 46 2HB ARG 46 27.738 5.122 1.187
303 2HB ARG 46 1HB ARG 46 29.099 5.531 2.221
304 1HG ARG 46 2HG ARG 46 30.660 5.050 0.509
305 2HG ARG 46 1HG ARG 46 29.426 4.281 -0.491
306 1HD ARG 46 2HD ARG 46 28.305 6.684 -0.234
307 2HD ARG 46 1HD ARG 46 29.991 7.154 -0.034
308 HE ARG 46 HE ARG 46 29.725 5.489 -2.294
309 1HH1 ARG 46 1HH1 ARG 46 28.980 8.716 -1.199
310 2HH1 ARG 46 2HH1 ARG 46 29.039 9.406 -2.786
311 1HH2 ARG 46 1HH2 ARG 46 29.804 6.394 -4.386
312 2HH2 ARG 46 2HH2 ARG 46 29.507 8.087 -4.597
313 H ARG 47 H ARG 47 29.203 1.570 3.635
314 HA ARG 47 HA ARG 47 30.784 1.010 5.163
315 1HB ARG 47 2HB ARG 47 32.769 2.353 3.338
316 2HB ARG 47 1HB ARG 47 33.049 1.010 4.436
317 1HG ARG 47 2HG ARG 47 31.150 -0.062 2.852
318 2HG ARG 47 1HG ARG 47 31.942 1.029 1.712
319 1HD ARG 47 2HD ARG 47 33.302 -1.075 3.391
320 2HD ARG 47 1HD ARG 47 32.952 -1.195 1.667
321 HE ARG 47 HE ARG 47 35.079 0.307 2.918
322 1HH1 ARG 47 1HH1 ARG 47 33.139 -0.109 0.045
323 2HH1 ARG 47 2HH1 ARG 47 34.318 0.601 -1.003
324 1HH2 ARG 47 1HH2 ARG 47 36.630 1.240 1.537
325 2HH2 ARG 47 2HH2 ARG 47 36.299 1.366 -0.158
326 HA PRO 48 HA PRO 48 30.957 5.079 7.203
327 1HB PRO 48 2HB PRO 48 30.240 4.221 9.651
328 2HB PRO 48 1HB PRO 48 29.049 4.485 8.371
329 1HG PRO 48 2HG PRO 48 30.285 1.926 9.309
330 2HG PRO 48 1HG PRO 48 28.598 2.264 8.887
331 1HD PRO 48 2HD PRO 48 30.363 1.033 7.201
332 2HD PRO 48 1HD PRO 48 28.978 1.991 6.643
Start of MODEL 13
1 H VAL 1 H VAL 1 0.813 17.406 -16.879
2 HA VAL 1 HA VAL 1 -0.377 15.699 -15.523
3 HB VAL 1 HB VAL 1 2.229 16.745 -14.350
4 1HG1 VAL 1 1HG1 VAL 1 2.453 14.544 -13.320
5 2HG1 VAL 1 2HG1 VAL 1 0.923 15.278 -12.782
6 3HG1 VAL 1 3HG1 VAL 1 0.912 14.014 -14.036
7 1HG2 VAL 1 1HG2 VAL 1 2.285 16.079 -16.748
8 2HG2 VAL 1 2HG2 VAL 1 3.224 14.962 -15.728
9 3HG2 VAL 1 3HG2 VAL 1 1.608 14.492 -16.309
10 H ASN 2 H ASN 2 0.989 16.289 -12.655
11 HA ASN 2 HA ASN 2 0.341 17.126 -10.635
12 1HB ASN 2 2HB ASN 2 -0.383 19.162 -12.080
13 2HB ASN 2 1HB ASN 2 -2.014 18.533 -11.862
14 1HD2 ASN 2 1HD2 ASN 2 0.849 18.938 -9.796
15 2HD2 ASN 2 2HD2 ASN 2 0.014 19.741 -8.515
16 H TYR 3 H TYR 3 -2.597 16.518 -12.561
17 HA TYR 3 HA TYR 3 -4.346 15.116 -12.266
18 1HB TYR 3 2HB TYR 3 -2.224 13.791 -10.692
19 2HB TYR 3 1HB TYR 3 -3.867 13.384 -10.218
20 HD1 TYR 3 1HD TYR 3 -1.324 12.128 -12.026
21 HD2 TYR 3 2HD TYR 3 -5.388 13.223 -12.590
22 HE1 TYR 3 1HE TYR 3 -1.461 10.612 -13.953
23 HE2 TYR 3 2HE TYR 3 -5.538 11.708 -14.519
24 HH TYR 3 HH TYR 3 -2.803 10.319 -15.980
25 H GLY 4 H GLY 4 -3.135 15.270 -8.903
26 1HA GLY 4 2HA GLY 4 -3.943 16.648 -7.178
27 2HA GLY 4 1HA GLY 4 -5.275 17.136 -8.210
28 H ASN 5 H ASN 5 -6.138 14.469 -8.884
29 HA ASN 5 HA ASN 5 -6.666 13.056 -6.449
30 1HB ASN 5 2HB ASN 5 -8.277 15.191 -6.701
31 2HB ASN 5 1HB ASN 5 -9.190 14.030 -7.657
32 1HD2 ASN 5 1HD2 ASN 5 -10.540 14.828 -5.600
33 2HD2 ASN 5 2HD2 ASN 5 -10.525 13.688 -4.301
34 H GLY 6 H GLY 6 -5.636 12.498 -9.068
35 1HA GLY 6 2HA GLY 6 -7.701 10.704 -10.191
36 2HA GLY 6 1HA GLY 6 -6.278 11.288 -11.040
37 H VAL 7 H VAL 7 -4.302 10.809 -9.149
38 HA VAL 7 HA VAL 7 -4.062 7.910 -9.344
39 HB VAL 7 HB VAL 7 -1.756 8.269 -8.455
40 1HG1 VAL 7 1HG1 VAL 7 -2.071 8.174 -10.841
41 2HG1 VAL 7 2HG1 VAL 7 -0.823 9.354 -10.433
42 3HG1 VAL 7 3HG1 VAL 7 -2.437 9.896 -10.877
43 1HG2 VAL 7 1HG2 VAL 7 -1.356 10.119 -7.311
44 2HG2 VAL 7 2HG2 VAL 7 -2.829 10.879 -7.908
45 3HG2 VAL 7 3HG2 VAL 7 -1.341 10.985 -8.848
46 H SER 8 H SER 8 -5.139 6.859 -7.743
47 HA SER 8 HA SER 8 -4.330 7.445 -5.005
48 1HB SER 8 2HB SER 8 -6.513 8.655 -5.498
49 2HB SER 8 1HB SER 8 -7.254 7.066 -5.685
50 HG SER 8 HG SER 8 -5.859 7.923 -3.370
51 H CYS 9 H CYS 9 -6.535 5.611 -4.112
52 HA CYS 9 HA CYS 9 -5.061 3.224 -4.134
53 1HB CYS 9 2HB CYS 9 -7.270 2.223 -3.265
54 2HB CYS 9 1HB CYS 9 -6.507 3.484 -2.299
55 H SER 10 H SER 10 -7.749 4.361 -6.107
56 HA SER 10 HA SER 10 -7.222 2.145 -7.953
57 1HB SER 10 2HB SER 10 -9.805 2.771 -6.615
58 2HB SER 10 1HB SER 10 -9.864 2.269 -8.303
59 HG SER 10 HG SER 10 -8.642 0.410 -7.674
60 H LYS 11 H LYS 11 -7.756 2.542 -10.143
61 HA LYS 11 HA LYS 11 -7.389 5.273 -10.943
62 1HB LYS 11 2HB LYS 11 -6.307 3.428 -12.122
63 2HB LYS 11 1HB LYS 11 -7.877 2.792 -12.590
64 1HG LYS 11 2HG LYS 11 -7.133 3.908 -14.486
65 2HG LYS 11 1HG LYS 11 -8.237 5.057 -13.735
66 1HD LYS 11 2HD LYS 11 -6.236 6.204 -14.453
67 2HD LYS 11 1HD LYS 11 -6.307 6.181 -12.687
68 1HE LYS 11 2HE LYS 11 -4.672 4.496 -12.540
69 2HE LYS 11 1HE LYS 11 -4.807 4.106 -14.254
70 1HZ LYS 11 1HZ LYS 11 -3.657 6.580 -13.086
71 2HZ LYS 11 2HZ LYS 11 -3.893 6.326 -14.742
72 3HZ LYS 11 3HZ LYS 11 -2.814 5.348 -13.883
73 H THR 12 H THR 12 -10.180 3.623 -10.138
74 HA THR 12 HA THR 12 -11.784 5.630 -11.472
75 HB THR 12 HB THR 12 -12.587 2.754 -11.830
76 HG1 THR 12 1HG THR 12 -11.075 4.314 -13.652
77 1HG2 THR 12 1HG2 THR 12 -14.134 4.794 -12.251
78 2HG2 THR 12 2HG2 THR 12 -14.059 3.498 -13.446
79 3HG2 THR 12 3HG2 THR 12 -13.166 4.997 -13.710
80 H LYS 13 H LYS 13 -11.669 6.062 -9.104
81 HA LYS 13 HA LYS 13 -12.847 6.300 -7.166
82 1HB LYS 13 2HB LYS 13 -14.834 5.404 -8.848
83 2HB LYS 13 1HB LYS 13 -14.820 4.160 -7.610
84 1HG LYS 13 2HG LYS 13 -14.847 6.198 -5.981
85 2HG LYS 13 1HG LYS 13 -15.490 7.049 -7.386
86 1HD LYS 13 2HD LYS 13 -17.002 4.800 -7.417
87 2HD LYS 13 1HD LYS 13 -16.730 4.992 -5.683
88 1HE LYS 13 2HE LYS 13 -17.614 7.234 -5.746
89 2HE LYS 13 1HE LYS 13 -17.752 7.169 -7.501
90 1HZ LYS 13 1HZ LYS 13 -19.219 5.326 -5.701
91 2HZ LYS 13 2HZ LYS 13 -19.478 5.584 -7.352
92 3HZ LYS 13 3HZ LYS 13 -19.861 6.797 -6.238
93 H CYS 14 H CYS 14 -13.454 4.877 -5.216
94 HA CYS 14 HA CYS 14 -11.745 2.478 -5.255
95 1HB CYS 14 2HB CYS 14 -11.237 4.763 -3.853
96 2HB CYS 14 1HB CYS 14 -12.133 3.814 -2.663
97 H SER 15 H SER 15 -14.133 1.997 -5.996
98 HA SER 15 HA SER 15 -15.949 1.519 -3.793
99 1HB SER 15 2HB SER 15 -16.107 1.791 -6.643
100 2HB SER 15 1HB SER 15 -16.944 0.334 -6.120
101 HG SER 15 HG SER 15 -18.135 2.438 -6.130
102 H VAL 16 H VAL 16 -13.412 0.015 -4.017
103 HA VAL 16 HA VAL 16 -14.455 -2.557 -3.366
104 HB VAL 16 HB VAL 16 -14.474 -2.761 -5.799
105 1HG1 VAL 16 1HG1 VAL 16 -12.760 -2.250 -7.179
106 2HG1 VAL 16 2HG1 VAL 16 -11.522 -2.656 -5.992
107 3HG1 VAL 16 3HG1 VAL 16 -12.396 -1.126 -5.873
108 1HG2 VAL 16 1HG2 VAL 16 -14.132 -4.818 -4.784
109 2HG2 VAL 16 2HG2 VAL 16 -12.514 -4.393 -4.228
110 3HG2 VAL 16 3HG2 VAL 16 -12.799 -4.729 -5.934
111 H ASN 17 H ASN 17 -13.206 -3.461 -1.900
112 HA ASN 17 HA ASN 17 -10.884 -2.195 -0.931
113 1HB ASN 17 2HB ASN 17 -10.726 -4.062 0.613
114 2HB ASN 17 1HB ASN 17 -12.421 -3.611 0.434
115 1HD2 ASN 17 1HD2 ASN 17 -11.484 -6.111 1.357
116 2HD2 ASN 17 2HD2 ASN 17 -11.984 -7.319 0.229
117 H TRP 18 H TRP 18 -9.118 -4.338 -0.433
118 HA TRP 18 HA TRP 18 -7.431 -5.570 -1.336
119 1HB TRP 18 2HB TRP 18 -9.407 -6.288 -2.997
120 2HB TRP 18 1HB TRP 18 -8.397 -5.410 -4.142
121 HD1 TRP 18 HD TRP 18 -5.988 -6.429 -4.689
122 HE1 TRP 18 1HE TRP 18 -4.978 -8.766 -4.322
123 HE3 TRP 18 3HE TRP 18 -9.445 -8.298 -1.431
124 HZ2 TRP 18 2HZ TRP 18 -5.568 -11.096 -2.851
125 HZ3 TRP 18 3HZ TRP 18 -9.149 -10.598 -0.589
126 HH2 TRP 18 HH TRP 18 -7.248 -11.964 -1.285
127 H GLY 19 H GLY 19 -7.715 -2.558 -1.384
128 1HA GLY 19 2HA GLY 19 -5.953 -1.813 -3.599
129 2HA GLY 19 1HA GLY 19 -6.729 -0.719 -2.463
130 H GLN 20 H GLN 20 -5.953 -1.734 -0.047
131 HA GLN 20 HA GLN 20 -3.348 -0.676 0.212
132 1HB GLN 20 2HB GLN 20 -4.944 -2.361 2.151
133 2HB GLN 20 1HB GLN 20 -3.489 -1.461 2.555
134 1HG GLN 20 2HG GLN 20 -5.660 0.082 1.295
135 2HG GLN 20 1HG GLN 20 -5.973 -0.527 2.920
136 1HE2 GLN 20 1HE2 GLN 20 -5.740 2.202 2.164
137 2HE2 GLN 20 2HE2 GLN 20 -4.384 2.863 3.005
138 H ALA 21 H ALA 21 -4.538 -3.895 -0.327
139 HA ALA 21 HA ALA 21 -2.359 -5.404 0.537
140 1HB ALA 21 1HB ALA 21 -3.819 -6.158 -1.946
141 2HB ALA 21 2HB ALA 21 -4.685 -6.110 -0.412
142 3HB ALA 21 3HB ALA 21 -3.290 -7.173 -0.603
143 H PHE 22 H PHE 22 -3.054 -4.577 -2.858
144 HA PHE 22 HA PHE 22 -0.571 -5.272 -3.863
145 1HB PHE 22 2HB PHE 22 -2.573 -4.726 -5.264
146 2HB PHE 22 1HB PHE 22 -2.271 -3.015 -4.947
147 HD1 PHE 22 1HD PHE 22 -0.399 -6.032 -6.039
148 HD2 PHE 22 2HD PHE 22 -1.069 -1.872 -6.476
149 HE1 PHE 22 1HE PHE 22 1.335 -5.944 -7.752
150 HE2 PHE 22 2HE PHE 22 0.659 -1.770 -8.203
151 HZ PHE 22 HZ PHE 22 1.867 -3.811 -8.859
152 H GLN 23 H GLN 23 -1.486 -2.360 -2.161
153 HA GLN 23 HA GLN 23 0.749 -0.865 -3.107
154 1HB GLN 23 2HB GLN 23 -1.091 -0.424 -0.747
155 2HB GLN 23 1HB GLN 23 0.144 0.721 -1.246
156 1HG GLN 23 2HG GLN 23 -1.805 -0.162 -3.292
157 2HG GLN 23 1HG GLN 23 -2.379 0.913 -2.019
158 1HE2 GLN 23 1HE2 GLN 23 -2.580 1.956 -4.372
159 2HE2 GLN 23 2HE2 GLN 23 -1.331 3.099 -4.714
160 H GLU 24 H GLU 24 0.153 -2.816 -0.219
161 HA GLU 24 HA GLU 24 2.682 -2.118 0.986
162 1HB GLU 24 2HB GLU 24 0.384 -3.060 2.018
163 2HB GLU 24 1HB GLU 24 1.237 -4.584 1.812
164 1HG GLU 24 2HG GLU 24 3.170 -3.264 3.012
165 2HG GLU 24 1HG GLU 24 1.820 -2.306 3.619
166 H ARG 25 H ARG 25 1.317 -4.873 -0.739
167 HA ARG 25 HA ARG 25 3.516 -6.602 -0.634
168 1HB ARG 25 2HB ARG 25 0.972 -6.666 -1.706
169 2HB ARG 25 1HB ARG 25 1.988 -6.682 -3.137
170 1HG ARG 25 2HG ARG 25 2.400 -8.593 -0.854
171 2HG ARG 25 1HG ARG 25 1.314 -8.929 -2.204
172 1HD ARG 25 2HD ARG 25 3.401 -8.297 -3.648
173 2HD ARG 25 1HD ARG 25 4.286 -8.680 -2.173
174 HE ARG 25 HE ARG 25 2.948 -10.531 -3.931
175 1HH1 ARG 25 1HH1 ARG 25 4.213 -10.009 -0.719
176 2HH1 ARG 25 2HH1 ARG 25 4.412 -11.697 -0.390
177 1HH2 ARG 25 1HH2 ARG 25 3.206 -12.748 -3.498
178 2HH2 ARG 25 2HH2 ARG 25 3.842 -13.253 -1.968
179 H TYR 26 H TYR 26 2.475 -4.478 -3.249
180 HA TYR 26 HA TYR 26 4.648 -4.949 -4.929
181 1HB TYR 26 2HB TYR 26 3.437 -3.785 -6.351
182 2HB TYR 26 1HB TYR 26 2.226 -3.860 -5.094
183 HD1 TYR 26 1HD TYR 26 2.759 -1.767 -3.314
184 HD2 TYR 26 2HD TYR 26 3.349 -1.841 -7.501
185 HE1 TYR 26 1HE TYR 26 2.456 0.658 -3.372
186 HE2 TYR 26 2HE TYR 26 3.059 0.591 -7.601
187 HH TYR 26 HH TYR 26 1.676 2.388 -5.353
188 H THR 27 H THR 27 4.216 -2.452 -2.485
189 HA THR 27 HA THR 27 6.506 -0.949 -3.231
190 HB THR 27 HB THR 27 6.425 -0.225 -0.745
191 HG1 THR 27 1HG THR 27 5.171 -1.987 -0.026
192 1HG2 THR 27 1HG2 THR 27 4.820 0.512 -2.967
193 2HG2 THR 27 2HG2 THR 27 5.396 1.504 -1.628
194 3HG2 THR 27 3HG2 THR 27 3.868 0.629 -1.492
195 H ALA 28 H ALA 28 5.962 -3.554 -0.913
196 HA ALA 28 HA ALA 28 8.476 -3.687 0.233
197 1HB ALA 28 1HB ALA 28 6.769 -5.046 1.139
198 2HB ALA 28 2HB ALA 28 7.975 -6.159 0.493
199 3HB ALA 28 3HB ALA 28 6.488 -5.852 -0.404
200 H GLY 29 H GLY 29 7.343 -5.133 -2.801
201 1HA GLY 29 2HA GLY 29 9.879 -6.375 -3.362
202 2HA GLY 29 1HA GLY 29 8.498 -6.275 -4.444
203 H ILE 30 H ILE 30 8.141 -3.525 -4.583
204 HA ILE 30 HA ILE 30 10.162 -2.824 -6.480
205 HB ILE 30 HB ILE 30 7.908 -1.180 -5.316
206 1HG1 ILE 30 2HG1 ILE 30 7.241 -3.187 -6.633
207 2HG1 ILE 30 1HG1 ILE 30 6.742 -1.673 -7.381
208 1HG2 ILE 30 1HG2 ILE 30 8.272 0.332 -7.220
209 2HG2 ILE 30 2HG2 ILE 30 9.704 -0.598 -7.667
210 3HG2 ILE 30 3HG2 ILE 30 9.663 0.278 -6.136
211 1HD1 ILE 30 1HD1 ILE 30 8.999 -1.944 -8.686
212 2HD1 ILE 30 2HD1 ILE 30 7.545 -2.805 -9.189
213 3HD1 ILE 30 3HD1 ILE 30 8.786 -3.642 -8.258
214 H ASN 31 H ASN 31 9.177 -1.360 -3.354
215 HA ASN 31 HA ASN 31 11.189 0.563 -3.255
216 1HB ASN 31 2HB ASN 31 9.125 -0.139 -1.612
217 2HB ASN 31 1HB ASN 31 10.515 -0.641 -0.653
218 1HD2 ASN 31 1HD2 ASN 31 8.556 1.575 -0.336
219 2HD2 ASN 31 2HD2 ASN 31 9.520 3.000 -0.174
220 H SER 32 H SER 32 11.214 -2.741 -1.875
221 HA SER 32 HA SER 32 13.754 -2.665 -0.759
222 1HB SER 32 2HB SER 32 12.307 -5.000 -2.028
223 2HB SER 32 1HB SER 32 13.766 -5.150 -1.047
224 HG SER 32 HG SER 32 11.175 -4.752 -0.273
225 H PHE 33 H PHE 33 12.799 -3.361 -4.087
226 HA PHE 33 HA PHE 33 15.244 -4.244 -5.081
227 1HB PHE 33 2HB PHE 33 13.812 -4.471 -6.812
228 2HB PHE 33 1HB PHE 33 12.744 -3.214 -6.198
229 HD1 PHE 33 1HD PHE 33 15.894 -3.733 -8.090
230 HD2 PHE 33 2HD PHE 33 12.635 -1.137 -7.246
231 HE1 PHE 33 1HE PHE 33 16.635 -2.220 -9.880
232 HE2 PHE 33 2HE PHE 33 13.367 0.373 -9.031
233 HZ PHE 33 HZ PHE 33 15.368 -0.165 -10.357
234 H VAL 34 H VAL 34 14.074 -0.988 -4.469
235 HA VAL 34 HA VAL 34 16.264 0.347 -5.765
236 HB VAL 34 HB VAL 34 14.550 1.584 -3.635
237 1HG1 VAL 34 1HG1 VAL 34 14.856 3.582 -5.033
238 2HG1 VAL 34 2HG1 VAL 34 15.859 2.636 -6.132
239 3HG1 VAL 34 3HG1 VAL 34 16.385 2.905 -4.471
240 1HG2 VAL 34 1HG2 VAL 34 12.949 0.489 -5.011
241 2HG2 VAL 34 2HG2 VAL 34 13.782 0.980 -6.485
242 3HG2 VAL 34 3HG2 VAL 34 12.967 2.187 -5.494
243 H SER 35 H SER 35 15.330 0.117 -2.351
244 HA SER 35 HA SER 35 17.711 1.141 -1.307
245 1HB SER 35 2HB SER 35 16.053 -0.989 0.037
246 2HB SER 35 1HB SER 35 17.023 0.274 0.797
247 HG SER 35 HG SER 35 14.464 0.369 0.079
248 H GLY 36 H GLY 36 16.808 -2.131 -2.236
249 1HA GLY 36 2HA GLY 36 19.009 -3.517 -1.191
250 2HA GLY 36 1HA GLY 36 18.056 -4.025 -2.580
251 H VAL 37 H VAL 37 18.555 -1.909 -4.316
252 HA VAL 37 HA VAL 37 21.210 -2.610 -5.225
253 HB VAL 37 HB VAL 37 20.714 -1.301 -7.200
254 1HG1 VAL 37 1HG1 VAL 37 19.737 -3.253 -7.711
255 2HG1 VAL 37 2HG1 VAL 37 18.231 -2.353 -7.534
256 3HG1 VAL 37 3HG1 VAL 37 18.845 -3.323 -6.191
257 1HG2 VAL 37 1HG2 VAL 37 19.534 0.555 -5.981
258 2HG2 VAL 37 2HG2 VAL 37 18.104 -0.475 -5.936
259 3HG2 VAL 37 3HG2 VAL 37 18.765 0.045 -7.483
260 H ALA 38 H ALA 38 19.613 0.054 -3.647
261 HA ALA 38 HA ALA 38 21.727 1.950 -4.091
262 1HB ALA 38 1HB ALA 38 19.583 2.873 -3.847
263 2HB ALA 38 2HB ALA 38 20.414 3.254 -2.338
264 3HB ALA 38 3HB ALA 38 19.251 1.930 -2.394
265 H SER 39 H SER 39 21.062 -0.533 -1.791
266 HA SER 39 HA SER 39 22.576 0.491 0.383
267 1HB SER 39 2HB SER 39 21.382 -2.144 -0.336
268 2HB SER 39 1HB SER 39 22.634 -2.119 0.905
269 HG SER 39 HG SER 39 20.577 -1.847 1.825
270 H GLY 40 H GLY 40 23.362 -1.538 -2.393
271 1HA GLY 40 2HA GLY 40 25.710 -1.167 -3.186
272 2HA GLY 40 1HA GLY 40 26.198 -1.485 -1.531
273 H ALA 41 H ALA 41 23.665 -3.515 -2.129
274 HA ALA 41 HA ALA 41 23.509 -5.767 -2.470
275 1HB ALA 41 1HB ALA 41 25.722 -5.311 -4.452
276 2HB ALA 41 2HB ALA 41 24.011 -5.032 -4.772
277 3HB ALA 41 3HB ALA 41 24.587 -6.661 -4.420
278 H GLY 42 H GLY 42 25.581 -4.636 -0.578
279 1HA GLY 42 2HA GLY 42 27.777 -6.474 -0.589
280 2HA GLY 42 1HA GLY 42 27.367 -5.350 0.697
281 H SER 43 H SER 43 25.701 -5.961 2.198
282 HA SER 43 HA SER 43 24.454 -8.442 2.328
283 1HB SER 43 2HB SER 43 27.238 -8.415 3.404
284 2HB SER 43 1HB SER 43 26.010 -9.313 4.292
285 HG SER 43 HG SER 43 25.661 -10.584 2.514
286 H ILE 44 H ILE 44 23.264 -6.313 2.919
287 HA ILE 44 HA ILE 44 23.310 -6.012 5.860
288 HB ILE 44 HB ILE 44 22.356 -3.937 3.887
289 1HG1 ILE 44 2HG1 ILE 44 24.947 -3.900 5.438
290 2HG1 ILE 44 1HG1 ILE 44 24.837 -4.445 3.767
291 1HG2 ILE 44 1HG2 ILE 44 22.748 -2.499 6.002
292 2HG2 ILE 44 2HG2 ILE 44 22.668 -4.038 6.860
293 3HG2 ILE 44 3HG2 ILE 44 21.294 -3.492 5.897
294 1HD1 ILE 44 1HD1 ILE 44 24.250 -2.300 3.005
295 2HD1 ILE 44 2HD1 ILE 44 25.580 -2.065 4.139
296 3HD1 ILE 44 3HD1 ILE 44 23.923 -1.724 4.639
297 H GLY 45 H GLY 45 21.288 -6.086 2.953
298 1HA GLY 45 2HA GLY 45 18.785 -5.889 4.170
299 2HA GLY 45 1HA GLY 45 19.103 -6.698 2.645
300 H ARG 46 H ARG 46 20.973 -8.593 3.997
301 HA ARG 46 HA ARG 46 20.903 -10.678 4.892
302 1HB ARG 46 2HB ARG 46 20.089 -9.217 6.887
303 2HB ARG 46 1HB ARG 46 18.512 -9.902 6.533
304 1HG ARG 46 2HG ARG 46 19.377 -11.279 8.195
305 2HG ARG 46 1HG ARG 46 19.665 -12.176 6.703
306 1HD ARG 46 2HD ARG 46 21.964 -10.886 6.776
307 2HD ARG 46 1HD ARG 46 21.597 -10.791 8.497
308 HE ARG 46 HE ARG 46 21.226 -13.412 7.912
309 1HH1 ARG 46 1HH1 ARG 46 23.864 -11.182 7.411
310 2HH1 ARG 46 2HH1 ARG 46 25.083 -12.406 7.514
311 1HH2 ARG 46 1HH2 ARG 46 22.829 -15.025 8.048
312 2HH2 ARG 46 2HH2 ARG 46 24.496 -14.588 7.875
313 H ARG 47 H ARG 47 20.099 -11.104 2.632
314 HA ARG 47 HA ARG 47 17.312 -11.770 2.369
315 1HB ARG 47 2HB ARG 47 19.686 -11.819 0.560
316 2HB ARG 47 1HB ARG 47 18.275 -12.773 0.127
317 1HG ARG 47 2HG ARG 47 17.097 -10.420 0.688
318 2HG ARG 47 1HG ARG 47 18.669 -9.858 0.118
319 1HD ARG 47 2HD ARG 47 18.397 -10.945 -1.972
320 2HD ARG 47 1HD ARG 47 16.994 -11.844 -1.396
321 HE ARG 47 HE ARG 47 15.677 -10.002 -1.791
322 1HH1 ARG 47 1HH1 ARG 47 19.040 -9.093 -2.034
323 2HH1 ARG 47 2HH1 ARG 47 18.698 -7.533 -2.699
324 1HH2 ARG 47 1HH2 ARG 47 15.228 -7.948 -2.661
325 2HH2 ARG 47 2HH2 ARG 47 16.534 -6.881 -3.054
326 HA PRO 48 HA PRO 48 19.009 -16.230 2.330
327 1HB PRO 48 2HB PRO 48 21.584 -16.717 2.909
328 2HB PRO 48 1HB PRO 48 21.072 -16.247 1.282
329 1HG PRO 48 2HG PRO 48 22.316 -14.581 3.433
330 2HG PRO 48 1HG PRO 48 22.646 -14.590 1.692
331 1HD PRO 48 2HD PRO 48 21.049 -12.744 2.944
332 2HD PRO 48 1HD PRO 48 20.899 -13.190 1.231
Start of MODEL 14
1 H VAL 1 H VAL 1 -1.505 0.836 8.878
2 HA VAL 1 HA VAL 1 -3.767 1.800 9.234
3 HB VAL 1 HB VAL 1 -4.674 1.363 7.001
4 1HG1 VAL 1 1HG1 VAL 1 -2.546 1.768 5.680
5 2HG1 VAL 1 2HG1 VAL 1 -2.763 2.845 7.080
6 3HG1 VAL 1 3HG1 VAL 1 -1.636 1.471 7.180
7 1HG2 VAL 1 1HG2 VAL 1 -4.538 -0.990 6.749
8 2HG2 VAL 1 2HG2 VAL 1 -3.330 -0.365 5.601
9 3HG2 VAL 1 3HG2 VAL 1 -2.809 -1.022 7.171
10 H ASN 2 H ASN 2 -5.441 -0.378 7.488
11 HA ASN 2 HA ASN 2 -7.004 -1.969 7.889
12 1HB ASN 2 2HB ASN 2 -5.065 -2.691 9.675
13 2HB ASN 2 1HB ASN 2 -6.447 -2.429 10.738
14 1HD2 ASN 2 1HD2 ASN 2 -5.069 -4.904 10.019
15 2HD2 ASN 2 2HD2 ASN 2 -6.277 -5.943 9.350
16 H TYR 3 H TYR 3 -6.600 -0.141 10.919
17 HA TYR 3 HA TYR 3 -8.040 1.133 12.134
18 1HB TYR 3 2HB TYR 3 -9.102 1.360 9.375
19 2HB TYR 3 1HB TYR 3 -10.199 1.795 10.675
20 HD1 TYR 3 1HD TYR 3 -6.535 2.325 10.152
21 HD2 TYR 3 2HD TYR 3 -10.337 4.083 10.882
22 HE1 TYR 3 1HE TYR 3 -5.472 4.530 10.325
23 HE2 TYR 3 2HE TYR 3 -9.283 6.297 11.057
24 HH TYR 3 HH TYR 3 -6.380 6.909 11.689
25 H GLY 4 H GLY 4 -8.956 -0.008 13.716
26 1HA GLY 4 2HA GLY 4 -11.152 -1.891 13.054
27 2HA GLY 4 1HA GLY 4 -10.109 -2.011 14.465
28 H ASN 5 H ASN 5 -12.537 0.076 12.955
29 HA ASN 5 HA ASN 5 -13.886 0.431 15.463
30 1HB ASN 5 2HB ASN 5 -11.924 2.091 15.457
31 2HB ASN 5 1HB ASN 5 -12.819 2.937 14.201
32 1HD2 ASN 5 1HD2 ASN 5 -13.287 4.748 15.324
33 2HD2 ASN 5 2HD2 ASN 5 -14.308 4.779 16.718
34 H GLY 6 H GLY 6 -13.408 1.990 12.314
35 1HA GLY 6 2HA GLY 6 -15.306 1.461 10.715
36 2HA GLY 6 1HA GLY 6 -16.329 2.140 11.986
37 H VAL 7 H VAL 7 -14.315 2.808 9.348
38 HA VAL 7 HA VAL 7 -13.995 5.625 9.962
39 HB VAL 7 HB VAL 7 -13.002 5.763 7.666
40 1HG1 VAL 7 1HG1 VAL 7 -11.814 3.667 9.475
41 2HG1 VAL 7 2HG1 VAL 7 -11.633 5.412 9.655
42 3HG1 VAL 7 3HG1 VAL 7 -10.949 4.595 8.249
43 1HG2 VAL 7 1HG2 VAL 7 -12.367 3.400 6.755
44 2HG2 VAL 7 2HG2 VAL 7 -13.945 4.088 6.379
45 3HG2 VAL 7 3HG2 VAL 7 -13.794 2.875 7.648
46 H SER 8 H SER 8 -15.957 3.509 8.024
47 HA SER 8 HA SER 8 -17.800 3.821 6.730
48 1HB SER 8 2HB SER 8 -19.513 5.161 7.691
49 2HB SER 8 1HB SER 8 -18.560 4.555 9.042
50 HG SER 8 HG SER 8 -17.855 6.523 9.449
51 H CYS 9 H CYS 9 -17.485 4.428 4.690
52 HA CYS 9 HA CYS 9 -16.524 7.123 4.124
53 1HB CYS 9 2HB CYS 9 -16.679 4.578 2.550
54 2HB CYS 9 1HB CYS 9 -16.601 6.113 1.689
55 H SER 10 H SER 10 -17.532 8.155 2.124
56 HA SER 10 HA SER 10 -20.432 8.103 2.509
57 1HB SER 10 2HB SER 10 -19.556 10.302 2.757
58 2HB SER 10 1HB SER 10 -18.567 10.148 1.305
59 HG SER 10 HG SER 10 -21.405 10.117 1.338
60 H LYS 11 H LYS 11 -18.021 8.159 -0.103
61 HA LYS 11 HA LYS 11 -19.971 7.611 -2.124
62 1HB LYS 11 2HB LYS 11 -17.686 8.855 -2.305
63 2HB LYS 11 1HB LYS 11 -17.042 7.239 -2.566
64 1HG LYS 11 2HG LYS 11 -18.515 6.929 -4.469
65 2HG LYS 11 1HG LYS 11 -19.224 8.521 -4.196
66 1HD LYS 11 2HD LYS 11 -16.663 9.245 -4.364
67 2HD LYS 11 1HD LYS 11 -16.590 7.777 -5.343
68 1HE LYS 11 2HE LYS 11 -17.096 9.379 -6.929
69 2HE LYS 11 1HE LYS 11 -18.694 8.765 -6.505
70 1HZ LYS 11 1HZ LYS 11 -18.734 10.670 -4.836
71 2HZ LYS 11 2HZ LYS 11 -18.924 11.065 -6.470
72 3HZ LYS 11 3HZ LYS 11 -17.435 11.315 -5.707
73 H THR 12 H THR 12 -18.478 5.547 0.089
74 HA THR 12 HA THR 12 -18.157 3.302 0.200
75 HB THR 12 HB THR 12 -20.598 3.284 -0.039
76 HG1 THR 12 1HG THR 12 -20.620 1.177 -0.276
77 1HG2 THR 12 1HG2 THR 12 -21.124 4.226 -2.107
78 2HG2 THR 12 2HG2 THR 12 -21.496 2.514 -2.288
79 3HG2 THR 12 3HG2 THR 12 -20.006 3.170 -2.970
80 H LYS 13 H LYS 13 -16.268 4.387 -1.337
81 HA LYS 13 HA LYS 13 -15.564 2.201 -3.066
82 1HB LYS 13 2HB LYS 13 -16.966 4.083 -4.354
83 2HB LYS 13 1HB LYS 13 -15.375 4.822 -4.453
84 1HG LYS 13 2HG LYS 13 -14.511 3.032 -5.703
85 2HG LYS 13 1HG LYS 13 -15.878 1.990 -5.303
86 1HD LYS 13 2HD LYS 13 -16.874 2.645 -7.182
87 2HD LYS 13 1HD LYS 13 -16.966 4.278 -6.522
88 1HE LYS 13 2HE LYS 13 -14.398 4.224 -7.371
89 2HE LYS 13 1HE LYS 13 -15.153 3.149 -8.546
90 1HZ LYS 13 1HZ LYS 13 -15.372 5.227 -9.501
91 2HZ LYS 13 2HZ LYS 13 -15.702 5.999 -8.033
92 3HZ LYS 13 3HZ LYS 13 -16.877 5.021 -8.755
93 H CYS 14 H CYS 14 -14.523 3.202 -0.685
94 HA CYS 14 HA CYS 14 -12.178 4.775 -1.342
95 1HB CYS 14 2HB CYS 14 -13.110 3.581 1.264
96 2HB CYS 14 1HB CYS 14 -11.757 4.699 1.095
97 H SER 15 H SER 15 -12.638 1.762 0.496
98 HA SER 15 HA SER 15 -10.071 0.798 -0.591
99 1HB SER 15 2HB SER 15 -9.863 0.900 1.757
100 2HB SER 15 1HB SER 15 -11.495 0.289 2.018
101 HG SER 15 HG SER 15 -10.602 -1.597 2.146
102 H VAL 16 H VAL 16 -10.027 -1.741 -0.519
103 HA VAL 16 HA VAL 16 -12.490 -3.085 -1.046
104 HB VAL 16 HB VAL 16 -12.245 -1.873 -3.175
105 1HG1 VAL 16 1HG1 VAL 16 -9.770 -3.484 -3.714
106 2HG1 VAL 16 2HG1 VAL 16 -9.712 -1.852 -3.044
107 3HG1 VAL 16 3HG1 VAL 16 -10.429 -2.129 -4.631
108 1HG2 VAL 16 1HG2 VAL 16 -13.015 -4.400 -2.860
109 2HG2 VAL 16 2HG2 VAL 16 -11.651 -4.675 -3.943
110 3HG2 VAL 16 3HG2 VAL 16 -12.972 -3.616 -4.439
111 H ASN 17 H ASN 17 -10.197 -3.389 0.645
112 HA ASN 17 HA ASN 17 -8.930 -5.054 1.514
113 1HB ASN 17 2HB ASN 17 -10.927 -6.404 -0.018
114 2HB ASN 17 1HB ASN 17 -9.397 -7.264 -0.217
115 1HD2 ASN 17 1HD2 ASN 17 -11.833 -6.223 2.032
116 2HD2 ASN 17 2HD2 ASN 17 -11.358 -7.253 3.336
117 H TRP 18 H TRP 18 -8.914 -5.986 -1.926
118 HA TRP 18 HA TRP 18 -6.239 -6.670 -2.078
119 1HB TRP 18 2HB TRP 18 -8.371 -6.500 -3.871
120 2HB TRP 18 1HB TRP 18 -7.152 -5.428 -4.553
121 HD1 TRP 18 HD TRP 18 -4.738 -6.567 -5.140
122 HE1 TRP 18 1HE TRP 18 -4.160 -8.983 -5.810
123 HE3 TRP 18 3HE TRP 18 -9.007 -8.895 -3.564
124 HZ2 TRP 18 2HZ TRP 18 -5.353 -11.534 -5.691
125 HZ3 TRP 18 3HZ TRP 18 -9.209 -11.326 -3.880
126 HH2 TRP 18 HH TRP 18 -7.418 -12.617 -4.921
127 H GLY 19 H GLY 19 -7.623 -3.488 -1.943
128 1HA GLY 19 2HA GLY 19 -5.688 -1.967 -3.253
129 2HA GLY 19 1HA GLY 19 -6.669 -1.401 -1.912
130 H GLN 20 H GLN 20 -5.875 -2.425 0.281
131 HA GLN 20 HA GLN 20 -3.329 -1.339 0.777
132 1HB GLN 20 2HB GLN 20 -4.891 -3.300 2.473
133 2HB GLN 20 1HB GLN 20 -3.561 -2.291 3.024
134 1HG GLN 20 2HG GLN 20 -6.033 -1.088 1.836
135 2HG GLN 20 1HG GLN 20 -5.958 -1.546 3.538
136 1HE2 GLN 20 1HE2 GLN 20 -5.925 0.376 4.527
137 2HE2 GLN 20 2HE2 GLN 20 -4.743 1.607 4.263
138 H ALA 21 H ALA 21 -4.398 -4.548 -0.041
139 HA ALA 21 HA ALA 21 -2.107 -6.004 0.708
140 1HB ALA 21 1HB ALA 21 -4.129 -7.169 0.239
141 2HB ALA 21 2HB ALA 21 -2.941 -7.668 -0.966
142 3HB ALA 21 3HB ALA 21 -4.197 -6.508 -1.395
143 H PHE 22 H PHE 22 -3.038 -5.082 -2.625
144 HA PHE 22 HA PHE 22 -0.644 -5.773 -3.800
145 1HB PHE 22 2HB PHE 22 -2.718 -5.071 -5.056
146 2HB PHE 22 1HB PHE 22 -2.291 -3.396 -4.706
147 HD1 PHE 22 1HD PHE 22 -1.691 -2.434 -6.682
148 HD2 PHE 22 2HD PHE 22 -0.165 -6.278 -5.746
149 HE1 PHE 22 1HE PHE 22 -0.242 -2.326 -8.637
150 HE2 PHE 22 2HE PHE 22 1.291 -6.179 -7.703
151 HZ PHE 22 HZ PHE 22 1.251 -4.204 -9.175
152 H GLN 23 H GLN 23 -1.482 -2.599 -2.358
153 HA GLN 23 HA GLN 23 0.885 -1.347 -3.265
154 1HB GLN 23 2HB GLN 23 -1.393 -0.420 -2.084
155 2HB GLN 23 1HB GLN 23 -0.263 -0.311 -0.744
156 1HG GLN 23 2HG GLN 23 1.074 1.246 -1.820
157 2HG GLN 23 1HG GLN 23 0.452 0.828 -3.410
158 1HE2 GLN 23 1HE2 GLN 23 0.466 3.188 -1.214
159 2HE2 GLN 23 2HE2 GLN 23 -1.063 3.927 -1.531
160 H GLU 24 H GLU 24 0.100 -3.109 -0.324
161 HA GLU 24 HA GLU 24 2.547 -2.470 1.010
162 1HB GLU 24 2HB GLU 24 0.274 -3.373 1.970
163 2HB GLU 24 1HB GLU 24 0.965 -4.947 1.599
164 1HG GLU 24 2HG GLU 24 2.500 -4.818 3.255
165 2HG GLU 24 1HG GLU 24 2.660 -3.068 3.122
166 H ARG 25 H ARG 25 1.465 -4.847 -1.257
167 HA ARG 25 HA ARG 25 3.704 -6.613 -0.934
168 1HB ARG 25 2HB ARG 25 1.156 -6.825 -1.989
169 2HB ARG 25 1HB ARG 25 2.177 -6.844 -3.424
170 1HG ARG 25 2HG ARG 25 3.548 -8.575 -1.943
171 2HG ARG 25 1HG ARG 25 1.958 -8.806 -1.216
172 1HD ARG 25 2HD ARG 25 1.030 -9.233 -3.466
173 2HD ARG 25 1HD ARG 25 2.653 -9.080 -4.140
174 HE ARG 25 HE ARG 25 2.966 -11.001 -2.274
175 1HH1 ARG 25 1HH1 ARG 25 0.671 -10.593 -4.871
176 2HH1 ARG 25 2HH1 ARG 25 0.455 -12.294 -5.115
177 1HH2 ARG 25 1HH2 ARG 25 2.682 -13.241 -2.595
178 2HH2 ARG 25 2HH2 ARG 25 1.595 -13.796 -3.824
179 H TYR 26 H TYR 26 2.590 -4.442 -3.540
180 HA TYR 26 HA TYR 26 4.963 -4.776 -5.095
181 1HB TYR 26 2HB TYR 26 3.837 -3.672 -6.692
182 2HB TYR 26 1HB TYR 26 2.487 -4.035 -5.644
183 HD1 TYR 26 1HD TYR 26 4.921 -1.284 -6.378
184 HD2 TYR 26 2HD TYR 26 1.083 -2.312 -4.972
185 HE1 TYR 26 1HE TYR 26 4.242 1.077 -6.409
186 HE2 TYR 26 2HE TYR 26 0.366 -0.017 -5.036
187 HH TYR 26 HH TYR 26 1.629 2.279 -4.863
188 H THR 27 H THR 27 3.706 -1.957 -3.273
189 HA THR 27 HA THR 27 5.912 -0.325 -3.737
190 HB THR 27 HB THR 27 4.417 -0.207 -1.141
191 HG1 THR 27 1HG THR 27 2.650 -0.161 -2.243
192 1HG2 THR 27 1HG2 THR 27 4.444 2.279 -2.298
193 2HG2 THR 27 2HG2 THR 27 6.015 1.606 -2.739
194 3HG2 THR 27 3HG2 THR 27 5.540 1.700 -1.043
195 H ALA 28 H ALA 28 5.540 -3.012 -1.588
196 HA ALA 28 HA ALA 28 7.804 -2.300 0.042
197 1HB ALA 28 1HB ALA 28 6.058 -3.655 1.023
198 2HB ALA 28 2HB ALA 28 7.561 -4.577 0.978
199 3HB ALA 28 3HB ALA 28 6.291 -4.901 -0.203
200 H GLY 29 H GLY 29 7.190 -4.236 -2.812
201 1HA GLY 29 2HA GLY 29 9.838 -5.414 -2.830
202 2HA GLY 29 1HA GLY 29 8.604 -5.589 -4.067
203 H ILE 30 H ILE 30 8.132 -2.898 -4.677
204 HA ILE 30 HA ILE 30 10.239 -2.399 -6.506
205 HB ILE 30 HB ILE 30 7.917 -1.727 -6.940
206 1HG1 ILE 30 2HG1 ILE 30 8.418 0.596 -7.766
207 2HG1 ILE 30 1HG1 ILE 30 9.949 0.512 -6.900
208 1HG2 ILE 30 1HG2 ILE 30 6.768 -0.108 -5.767
209 2HG2 ILE 30 2HG2 ILE 30 8.239 0.606 -5.105
210 3HG2 ILE 30 3HG2 ILE 30 7.650 -0.936 -4.484
211 1HD1 ILE 30 1HD1 ILE 30 10.902 -0.635 -8.538
212 2HD1 ILE 30 2HD1 ILE 30 9.476 -0.265 -9.506
213 3HD1 ILE 30 3HD1 ILE 30 9.565 -1.782 -8.612
214 H ASN 31 H ASN 31 9.341 -0.901 -3.415
215 HA ASN 31 HA ASN 31 11.368 1.105 -3.568
216 1HB ASN 31 2HB ASN 31 9.162 0.902 -2.062
217 2HB ASN 31 1HB ASN 31 10.327 0.246 -0.910
218 1HD2 ASN 31 1HD2 ASN 31 8.846 2.982 -1.956
219 2HD2 ASN 31 2HD2 ASN 31 9.972 4.160 -1.382
220 H SER 32 H SER 32 11.088 -2.066 -2.027
221 HA SER 32 HA SER 32 13.578 -1.976 -0.697
222 1HB SER 32 2HB SER 32 11.876 -4.313 -1.594
223 2HB SER 32 1HB SER 32 13.345 -4.495 -0.638
224 HG SER 32 HG SER 32 12.149 -4.101 1.030
225 H PHE 33 H PHE 33 12.662 -2.804 -3.963
226 HA PHE 33 HA PHE 33 14.963 -4.210 -4.737
227 1HB PHE 33 2HB PHE 33 13.611 -4.380 -6.527
228 2HB PHE 33 1HB PHE 33 12.667 -2.986 -6.028
229 HD1 PHE 33 1HD PHE 33 12.671 -1.091 -7.345
230 HD2 PHE 33 2HD PHE 33 15.871 -3.856 -7.732
231 HE1 PHE 33 1HE PHE 33 13.525 0.185 -9.247
232 HE2 PHE 33 2HE PHE 33 16.734 -2.582 -9.652
233 HZ PHE 33 HZ PHE 33 15.556 -0.559 -10.415
234 H VAL 34 H VAL 34 14.242 -0.763 -4.612
235 HA VAL 34 HA VAL 34 16.652 0.139 -5.827
236 HB VAL 34 HB VAL 34 15.144 1.750 -3.797
237 1HG1 VAL 34 1HG1 VAL 34 15.814 3.601 -5.171
238 2HG1 VAL 34 2HG1 VAL 34 16.447 2.511 -6.404
239 3HG1 VAL 34 3HG1 VAL 34 17.227 2.603 -4.824
240 1HG2 VAL 34 1HG2 VAL 34 13.700 2.487 -5.774
241 2HG2 VAL 34 2HG2 VAL 34 13.334 0.910 -5.069
242 3HG2 VAL 34 3HG2 VAL 34 14.237 1.017 -6.575
243 H SER 35 H SER 35 15.682 0.338 -2.415
244 HA SER 35 HA SER 35 18.205 1.005 -1.436
245 1HB SER 35 2HB SER 35 15.989 -0.533 -0.077
246 2HB SER 35 1HB SER 35 17.387 0.151 0.751
247 HG SER 35 HG SER 35 15.523 1.648 -0.780
248 H GLY 36 H GLY 36 16.791 -2.117 -2.199
249 1HA GLY 36 2HA GLY 36 18.734 -3.756 -0.965
250 2HA GLY 36 1HA GLY 36 17.705 -4.226 -2.312
251 H VAL 37 H VAL 37 18.515 -2.375 -4.221
252 HA VAL 37 HA VAL 37 21.021 -3.556 -5.054
253 HB VAL 37 HB VAL 37 20.727 -2.350 -7.128
254 1HG1 VAL 37 1HG1 VAL 37 18.493 -3.890 -5.970
255 2HG1 VAL 37 2HG1 VAL 37 19.463 -4.196 -7.410
256 3HG1 VAL 37 3HG1 VAL 37 18.152 -3.015 -7.467
257 1HG2 VAL 37 1HG2 VAL 37 18.297 -1.005 -5.955
258 2HG2 VAL 37 2HG2 VAL 37 19.027 -0.731 -7.533
259 3HG2 VAL 37 3HG2 VAL 37 19.879 -0.232 -6.072
260 H ALA 38 H ALA 38 19.900 -0.583 -3.634
261 HA ALA 38 HA ALA 38 22.228 0.969 -4.271
262 1HB ALA 38 1HB ALA 38 21.212 2.519 -2.517
263 2HB ALA 38 2HB ALA 38 19.869 1.377 -2.464
264 3HB ALA 38 3HB ALA 38 20.268 2.201 -3.972
265 H SER 39 H SER 39 21.391 -1.278 -1.769
266 HA SER 39 HA SER 39 23.276 -0.301 0.160
267 1HB SER 39 2HB SER 39 21.792 -2.929 -0.040
268 2HB SER 39 1HB SER 39 22.812 -2.471 1.323
269 HG SER 39 HG SER 39 20.426 -2.026 1.404
270 H GLY 40 H GLY 40 23.241 -2.913 -2.231
271 1HA GLY 40 2HA GLY 40 25.909 -3.770 -1.507
272 2HA GLY 40 1HA GLY 40 24.919 -4.417 -2.806
273 H ALA 41 H ALA 41 24.418 -2.231 -4.352
274 HA ALA 41 HA ALA 41 26.886 -1.927 -5.735
275 1HB ALA 41 1HB ALA 41 24.508 -0.201 -6.291
276 2HB ALA 41 2HB ALA 41 24.457 -1.927 -6.654
277 3HB ALA 41 3HB ALA 41 25.673 -0.901 -7.415
278 H GLY 42 H GLY 42 24.743 0.532 -4.276
279 1HA GLY 42 2HA GLY 42 25.459 2.293 -2.868
280 2HA GLY 42 1HA GLY 42 27.113 2.000 -3.385
281 H SER 43 H SER 43 24.173 2.552 -5.310
282 HA SER 43 HA SER 43 25.440 4.231 -7.157
283 1HB SER 43 2HB SER 43 23.036 3.018 -7.100
284 2HB SER 43 1HB SER 43 22.538 4.661 -6.690
285 HG SER 43 HG SER 43 22.729 5.088 -8.727
286 H ILE 44 H ILE 44 23.226 5.111 -4.498
287 HA ILE 44 HA ILE 44 24.766 7.366 -3.780
288 HB ILE 44 HB ILE 44 23.504 7.994 -6.000
289 1HG1 ILE 44 2HG1 ILE 44 23.209 10.213 -4.124
290 2HG1 ILE 44 1HG1 ILE 44 24.749 9.373 -3.963
291 1HG2 ILE 44 1HG2 ILE 44 21.273 7.449 -4.673
292 2HG2 ILE 44 2HG2 ILE 44 21.357 8.702 -5.905
293 3HG2 ILE 44 3HG2 ILE 44 21.451 9.137 -4.202
294 1HD1 ILE 44 1HD1 ILE 44 24.206 11.370 -5.737
295 2HD1 ILE 44 2HD1 ILE 44 24.010 9.924 -6.728
296 3HD1 ILE 44 3HD1 ILE 44 25.526 10.209 -5.875
297 H GLY 45 H GLY 45 21.575 5.858 -3.707
298 1HA GLY 45 2HA GLY 45 20.074 5.545 -2.008
299 2HA GLY 45 1HA GLY 45 21.492 5.443 -0.992
300 H ARG 46 H ARG 46 21.104 8.525 -2.474
301 HA ARG 46 HA ARG 46 19.839 9.508 0.005
302 1HB ARG 46 2HB ARG 46 21.883 11.024 -1.618
303 2HB ARG 46 1HB ARG 46 21.180 11.509 -0.084
304 1HG ARG 46 2HG ARG 46 23.081 9.232 -0.574
305 2HG ARG 46 1HG ARG 46 23.401 10.728 0.298
306 1HD ARG 46 2HD ARG 46 22.069 10.089 2.114
307 2HD ARG 46 1HD ARG 46 21.253 8.829 1.187
308 HE ARG 46 HE ARG 46 24.027 8.297 1.358
309 1HH1 ARG 46 1HH1 ARG 46 21.111 8.205 3.276
310 2HH1 ARG 46 2HH1 ARG 46 21.681 6.932 4.302
311 1HH2 ARG 46 1HH2 ARG 46 24.773 6.625 2.703
312 2HH2 ARG 46 2HH2 ARG 46 23.760 6.035 3.977
313 H ARG 47 H ARG 47 20.662 10.905 -3.173
314 HA ARG 47 HA ARG 47 17.915 11.963 -3.314
315 1HB ARG 47 2HB ARG 47 18.870 13.601 -4.938
316 2HB ARG 47 1HB ARG 47 19.554 13.722 -3.324
317 1HG ARG 47 2HG ARG 47 21.526 12.487 -4.055
318 2HG ARG 47 1HG ARG 47 20.837 12.342 -5.673
319 1HD ARG 47 2HD ARG 47 21.241 15.021 -4.386
320 2HD ARG 47 1HD ARG 47 22.557 14.206 -5.231
321 HE ARG 47 HE ARG 47 20.316 14.244 -6.908
322 1HH1 ARG 47 1HH1 ARG 47 22.618 16.464 -5.506
323 2HH1 ARG 47 2HH1 ARG 47 22.495 17.605 -6.802
324 1HH2 ARG 47 1HH2 ARG 47 20.155 15.745 -8.613
325 2HH2 ARG 47 2HH2 ARG 47 21.097 17.198 -8.566
326 HA PRO 48 HA PRO 48 17.090 9.378 -6.802
327 1HB PRO 48 2HB PRO 48 15.199 10.828 -8.086
328 2HB PRO 48 1HB PRO 48 14.879 9.987 -6.564
329 1HG PRO 48 2HG PRO 48 15.515 12.876 -7.035
330 2HG PRO 48 1HG PRO 48 14.293 12.159 -5.967
331 1HD PRO 48 2HD PRO 48 16.678 13.063 -5.054
332 2HD PRO 48 1HD PRO 48 15.827 11.687 -4.315
Start of MODEL 15
1 H VAL 1 H VAL 1 -27.265 10.316 7.115
2 HA VAL 1 HA VAL 1 -25.464 9.516 5.603
3 HB VAL 1 HB VAL 1 -24.633 10.070 8.477
4 1HG1 VAL 1 1HG1 VAL 1 -23.027 9.032 6.486
5 2HG1 VAL 1 2HG1 VAL 1 -22.821 10.784 6.249
6 3HG1 VAL 1 3HG1 VAL 1 -22.452 10.051 7.828
7 1HG2 VAL 1 1HG2 VAL 1 -26.048 11.747 7.066
8 2HG2 VAL 1 2HG2 VAL 1 -24.563 12.345 7.845
9 3HG2 VAL 1 3HG2 VAL 1 -24.563 11.956 6.108
10 H ASN 2 H ASN 2 -26.347 7.174 5.531
11 HA ASN 2 HA ASN 2 -24.199 5.421 6.294
12 1HB ASN 2 2HB ASN 2 -25.664 3.819 7.484
13 2HB ASN 2 1HB ASN 2 -25.557 5.357 8.335
14 1HD2 ASN 2 1HD2 ASN 2 -27.359 6.629 8.537
15 2HD2 ASN 2 2HD2 ASN 2 -28.942 6.107 8.081
16 H TYR 3 H TYR 3 -24.273 3.442 5.134
17 HA TYR 3 HA TYR 3 -26.456 2.889 3.310
18 1HB TYR 3 2HB TYR 3 -23.746 3.829 2.302
19 2HB TYR 3 1HB TYR 3 -24.898 2.972 1.293
20 HD1 TYR 3 1HD TYR 3 -27.441 4.206 1.834
21 HD2 TYR 3 2HD TYR 3 -23.597 6.013 1.608
22 HE1 TYR 3 1HE TYR 3 -28.481 6.343 1.218
23 HE2 TYR 3 2HE TYR 3 -24.634 8.153 0.994
24 HH TYR 3 HH TYR 3 -27.922 8.416 0.110
25 H GLY 4 H GLY 4 -25.420 1.139 1.618
26 1HA GLY 4 2HA GLY 4 -23.573 -0.669 2.969
27 2HA GLY 4 1HA GLY 4 -25.229 -1.239 2.820
28 H ASN 5 H ASN 5 -23.504 0.719 0.458
29 HA ASN 5 HA ASN 5 -22.821 -1.491 -1.218
30 1HB ASN 5 2HB ASN 5 -25.360 -1.141 -1.516
31 2HB ASN 5 1HB ASN 5 -24.915 0.325 -2.386
32 1HD2 ASN 5 1HD2 ASN 5 -25.647 -2.851 -2.734
33 2HD2 ASN 5 2HD2 ASN 5 -24.899 -3.157 -4.262
34 H GLY 6 H GLY 6 -23.822 1.890 -1.813
35 1HA GLY 6 2HA GLY 6 -21.857 3.505 -1.826
36 2HA GLY 6 1HA GLY 6 -21.139 2.370 -2.959
37 H VAL 7 H VAL 7 -23.947 4.496 -2.493
38 HA VAL 7 HA VAL 7 -24.453 4.496 -5.357
39 HB VAL 7 HB VAL 7 -26.365 4.447 -3.798
40 1HG1 VAL 7 1HG1 VAL 7 -24.963 6.258 -2.339
41 2HG1 VAL 7 2HG1 VAL 7 -26.682 5.912 -2.137
42 3HG1 VAL 7 3HG1 VAL 7 -26.166 7.288 -3.115
43 1HG2 VAL 7 1HG2 VAL 7 -26.280 5.651 -6.133
44 2HG2 VAL 7 2HG2 VAL 7 -26.550 7.093 -5.154
45 3HG2 VAL 7 3HG2 VAL 7 -27.710 5.765 -5.107
46 H SER 8 H SER 8 -22.075 5.431 -5.285
47 HA SER 8 HA SER 8 -20.721 7.162 -5.861
48 1HB SER 8 2HB SER 8 -21.604 8.862 -7.189
49 2HB SER 8 1HB SER 8 -22.809 7.588 -7.367
50 HG SER 8 HG SER 8 -23.617 9.765 -6.874
51 H CYS 9 H CYS 9 -19.541 8.407 -4.576
52 HA CYS 9 HA CYS 9 -20.821 10.300 -2.812
53 1HB CYS 9 2HB CYS 9 -19.085 9.373 -0.984
54 2HB CYS 9 1HB CYS 9 -20.750 8.822 -1.089
55 H SER 10 H SER 10 -17.523 9.059 -2.479
56 HA SER 10 HA SER 10 -15.568 10.284 -2.436
57 1HB SER 10 2HB SER 10 -15.688 9.332 -4.712
58 2HB SER 10 1HB SER 10 -16.494 10.797 -5.278
59 HG SER 10 HG SER 10 -13.888 10.333 -5.032
60 H LYS 11 H LYS 11 -16.738 11.795 -0.958
61 HA LYS 11 HA LYS 11 -16.145 14.475 -1.723
62 1HB LYS 11 2HB LYS 11 -18.342 15.444 -1.495
63 2HB LYS 11 1HB LYS 11 -18.378 14.196 -2.726
64 1HG LYS 11 2HG LYS 11 -19.216 12.702 -0.720
65 2HG LYS 11 1HG LYS 11 -19.697 14.274 -0.069
66 1HD LYS 11 2HD LYS 11 -20.973 14.758 -2.072
67 2HD LYS 11 1HD LYS 11 -20.432 13.253 -2.815
68 1HE LYS 11 2HE LYS 11 -22.366 12.429 -2.035
69 2HE LYS 11 1HE LYS 11 -21.520 12.343 -0.490
70 1HZ LYS 11 1HZ LYS 11 -22.856 14.850 -1.214
71 2HZ LYS 11 2HZ LYS 11 -22.621 14.159 0.312
72 3HZ LYS 11 3HZ LYS 11 -23.817 13.550 -0.716
73 H THR 12 H THR 12 -17.024 12.097 0.607
74 HA THR 12 HA THR 12 -15.890 13.732 2.726
75 HB THR 12 HB THR 12 -18.209 14.306 2.964
76 HG1 THR 12 1HG THR 12 -17.583 14.097 4.978
77 1HG2 THR 12 1HG2 THR 12 -18.942 11.449 3.403
78 2HG2 THR 12 2HG2 THR 12 -18.990 12.148 1.788
79 3HG2 THR 12 3HG2 THR 12 -19.986 12.830 3.074
80 H LYS 13 H LYS 13 -16.781 10.690 1.384
81 HA LYS 13 HA LYS 13 -14.934 9.313 3.095
82 1HB LYS 13 2HB LYS 13 -17.540 9.408 3.971
83 2HB LYS 13 1HB LYS 13 -17.494 7.889 3.092
84 1HG LYS 13 2HG LYS 13 -17.005 7.423 5.362
85 2HG LYS 13 1HG LYS 13 -15.501 7.254 4.451
86 1HD LYS 13 2HD LYS 13 -14.537 9.056 5.455
87 2HD LYS 13 1HD LYS 13 -16.068 9.921 5.612
88 1HE LYS 13 2HE LYS 13 -16.597 8.907 7.598
89 2HE LYS 13 1HE LYS 13 -15.684 7.448 7.218
90 1HZ LYS 13 1HZ LYS 13 -14.788 9.935 8.448
91 2HZ LYS 13 2HZ LYS 13 -13.696 9.171 7.405
92 3HZ LYS 13 3HZ LYS 13 -14.303 8.342 8.749
93 H CYS 14 H CYS 14 -15.692 6.690 2.509
94 HA CYS 14 HA CYS 14 -15.733 5.104 0.843
95 1HB CYS 14 2HB CYS 14 -16.167 7.318 -1.147
96 2HB CYS 14 1HB CYS 14 -16.575 5.611 -1.339
97 H SER 15 H SER 15 -14.032 4.174 -0.239
98 HA SER 15 HA SER 15 -12.222 5.633 -1.823
99 1HB SER 15 2HB SER 15 -10.205 5.299 -0.293
100 2HB SER 15 1HB SER 15 -11.315 6.607 0.114
101 HG SER 15 HG SER 15 -10.551 4.758 1.717
102 H VAL 16 H VAL 16 -10.120 4.346 -2.144
103 HA VAL 16 HA VAL 16 -10.892 1.729 -2.950
104 HB VAL 16 HB VAL 16 -9.450 3.094 -4.370
105 1HG1 VAL 16 1HG1 VAL 16 -8.237 3.904 -2.089
106 2HG1 VAL 16 2HG1 VAL 16 -7.580 4.136 -3.709
107 3HG1 VAL 16 3HG1 VAL 16 -7.041 2.776 -2.725
108 1HG2 VAL 16 1HG2 VAL 16 -8.852 1.077 -5.089
109 2HG2 VAL 16 2HG2 VAL 16 -8.658 0.457 -3.443
110 3HG2 VAL 16 3HG2 VAL 16 -7.350 1.353 -4.204
111 H ASN 17 H ASN 17 -11.382 0.792 -0.917
112 HA ASN 17 HA ASN 17 -9.702 0.586 1.270
113 1HB ASN 17 2HB ASN 17 -12.209 -0.259 0.742
114 2HB ASN 17 1HB ASN 17 -11.353 -1.799 0.689
115 1HD2 ASN 17 1HD2 ASN 17 -9.735 -2.017 2.588
116 2HD2 ASN 17 2HD2 ASN 17 -10.371 -1.617 4.144
117 H TRP 18 H TRP 18 -9.511 -1.120 -1.746
118 HA TRP 18 HA TRP 18 -7.702 -3.140 -0.612
119 1HB TRP 18 2HB TRP 18 -7.813 -4.238 -2.758
120 2HB TRP 18 1HB TRP 18 -9.444 -3.823 -2.247
121 HD1 TRP 18 HD TRP 18 -6.722 -2.535 -4.667
122 HE1 TRP 18 1HE TRP 18 -7.892 -1.388 -6.643
123 HE3 TRP 18 3HE TRP 18 -11.566 -2.901 -3.088
124 HZ2 TRP 18 2HZ TRP 18 -10.504 -0.735 -7.439
125 HZ3 TRP 18 3HZ TRP 18 -13.342 -1.990 -4.524
126 HH2 TRP 18 HH TRP 18 -12.817 -0.928 -6.657
127 H GLY 19 H GLY 19 -7.102 -0.145 -1.018
128 1HA GLY 19 2HA GLY 19 -5.027 -0.009 -2.982
129 2HA GLY 19 1HA GLY 19 -5.368 1.181 -1.736
130 H GLN 20 H GLN 20 -5.103 -0.673 0.480
131 HA GLN 20 HA GLN 20 -2.285 -0.460 0.852
132 1HB GLN 20 2HB GLN 20 -4.521 -1.625 2.488
133 2HB GLN 20 1HB GLN 20 -2.844 -1.827 2.975
134 1HG GLN 20 2HG GLN 20 -2.652 0.290 3.666
135 2HG GLN 20 1HG GLN 20 -3.583 0.925 2.311
136 1HE2 GLN 20 1HE2 GLN 20 -3.705 1.608 5.140
137 2HE2 GLN 20 2HE2 GLN 20 -5.334 1.321 5.636
138 H ALA 21 H ALA 21 -4.442 -3.056 -0.071
139 HA ALA 21 HA ALA 21 -2.761 -5.249 0.408
140 1HB ALA 21 1HB ALA 21 -4.132 -6.432 -1.244
141 2HB ALA 21 2HB ALA 21 -4.830 -4.897 -1.763
142 3HB ALA 21 3HB ALA 21 -5.130 -5.494 -0.132
143 H PHE 22 H PHE 22 -3.406 -3.870 -2.815
144 HA PHE 22 HA PHE 22 -1.230 -5.090 -4.047
145 1HB PHE 22 2HB PHE 22 -3.099 -3.928 -5.273
146 2HB PHE 22 1HB PHE 22 -2.343 -2.392 -4.848
147 HD1 PHE 22 1HD PHE 22 -0.986 -5.641 -6.081
148 HD2 PHE 22 2HD PHE 22 -1.385 -1.458 -6.667
149 HE1 PHE 22 1HE PHE 22 0.545 -5.764 -7.979
150 HE2 PHE 22 2HE PHE 22 0.130 -1.570 -8.572
151 HZ PHE 22 HZ PHE 22 1.104 -3.728 -9.252
152 H GLN 23 H GLN 23 -1.366 -2.028 -2.270
153 HA GLN 23 HA GLN 23 1.194 -1.147 -3.202
154 1HB GLN 23 2HB GLN 23 -0.405 0.510 -2.450
155 2HB GLN 23 1HB GLN 23 -0.483 -0.226 -0.855
156 1HG GLN 23 2HG GLN 23 1.997 0.299 -0.656
157 2HG GLN 23 1HG GLN 23 1.787 1.304 -2.089
158 1HE2 GLN 23 1HE2 GLN 23 2.011 1.448 1.122
159 2HE2 GLN 23 2HE2 GLN 23 1.045 2.843 1.448
160 H GLU 24 H GLU 24 0.042 -2.881 -0.366
161 HA GLU 24 HA GLU 24 2.514 -2.810 1.050
162 1HB GLU 24 2HB GLU 24 0.265 -3.251 2.079
163 2HB GLU 24 1HB GLU 24 0.275 -4.830 1.304
164 1HG GLU 24 2HG GLU 24 2.706 -4.419 2.776
165 2HG GLU 24 1HG GLU 24 1.302 -4.152 3.808
166 H ARG 25 H ARG 25 1.087 -4.828 -1.368
167 HA ARG 25 HA ARG 25 2.971 -6.983 -1.167
168 1HB ARG 25 2HB ARG 25 0.446 -6.664 -2.198
169 2HB ARG 25 1HB ARG 25 1.425 -6.654 -3.658
170 1HG ARG 25 2HG ARG 25 1.831 -8.787 -1.611
171 2HG ARG 25 1HG ARG 25 0.481 -8.884 -2.742
172 1HD ARG 25 2HD ARG 25 3.372 -8.560 -3.531
173 2HD ARG 25 1HD ARG 25 2.503 -10.093 -3.518
174 HE ARG 25 HE ARG 25 2.266 -7.966 -5.459
175 1HH1 ARG 25 1HH1 ARG 25 0.800 -10.836 -4.115
176 2HH1 ARG 25 2HH1 ARG 25 -0.162 -11.151 -5.521
177 1HH2 ARG 25 1HH2 ARG 25 1.001 -8.380 -7.303
178 2HH2 ARG 25 2HH2 ARG 25 -0.048 -9.758 -7.330
179 H TYR 26 H TYR 26 2.227 -4.593 -3.681
180 HA TYR 26 HA TYR 26 4.494 -5.158 -5.274
181 1HB TYR 26 2HB TYR 26 3.427 -3.890 -6.762
182 2HB TYR 26 1HB TYR 26 2.128 -3.906 -5.588
183 HD1 TYR 26 1HD TYR 26 5.055 -1.838 -6.633
184 HD2 TYR 26 2HD TYR 26 1.258 -1.919 -4.805
185 HE1 TYR 26 1HE TYR 26 4.973 0.613 -6.637
186 HE2 TYR 26 2HE TYR 26 1.123 0.489 -4.816
187 HH TYR 26 HH TYR 26 2.560 2.392 -6.519
188 H THR 27 H THR 27 3.801 -2.198 -3.348
189 HA THR 27 HA THR 27 6.262 -0.985 -3.752
190 HB THR 27 HB THR 27 4.870 -0.762 -1.110
191 HG1 THR 27 1HG THR 27 3.132 -0.635 -2.340
192 1HG2 THR 27 1HG2 THR 27 6.586 0.767 -1.159
193 2HG2 THR 27 2HG2 THR 27 5.212 1.721 -1.718
194 3HG2 THR 27 3HG2 THR 27 6.383 1.097 -2.880
195 H ALA 28 H ALA 28 5.342 -3.430 -1.409
196 HA ALA 28 HA ALA 28 7.593 -3.362 0.223
197 1HB ALA 28 1HB ALA 28 7.078 -5.863 0.530
198 2HB ALA 28 2HB ALA 28 5.706 -5.560 -0.537
199 3HB ALA 28 3HB ALA 28 5.844 -4.690 0.991
200 H GLY 29 H GLY 29 7.040 -5.261 -2.744
201 1HA GLY 29 2HA GLY 29 9.653 -6.428 -2.716
202 2HA GLY 29 1HA GLY 29 8.519 -6.451 -4.057
203 H ILE 30 H ILE 30 8.212 -3.918 -4.807
204 HA ILE 30 HA ILE 30 10.541 -3.352 -6.262
205 HB ILE 30 HB ILE 30 8.218 -2.660 -6.886
206 1HG1 ILE 30 2HG1 ILE 30 9.722 -0.122 -6.967
207 2HG1 ILE 30 1HG1 ILE 30 10.606 -1.530 -7.544
208 1HG2 ILE 30 1HG2 ILE 30 8.431 -0.136 -5.403
209 2HG2 ILE 30 2HG2 ILE 30 8.072 -1.561 -4.426
210 3HG2 ILE 30 3HG2 ILE 30 7.019 -1.126 -5.773
211 1HD1 ILE 30 1HD1 ILE 30 7.852 -0.953 -8.546
212 2HD1 ILE 30 2HD1 ILE 30 9.148 -1.881 -9.303
213 3HD1 ILE 30 3HD1 ILE 30 9.255 -0.122 -9.218
214 H ASN 31 H ASN 31 9.472 -2.206 -3.123
215 HA ASN 31 HA ASN 31 11.230 0.028 -2.999
216 1HB ASN 31 2HB ASN 31 9.256 -0.185 -1.514
217 2HB ASN 31 1HB ASN 31 10.027 -1.554 -0.710
218 1HD2 ASN 31 1HD2 ASN 31 9.481 1.684 -0.560
219 2HD2 ASN 31 2HD2 ASN 31 10.762 2.144 0.506
220 H SER 32 H SER 32 11.419 -3.286 -1.718
221 HA SER 32 HA SER 32 13.894 -3.113 -0.481
222 1HB SER 32 2HB SER 32 12.816 -5.524 -1.962
223 2HB SER 32 1HB SER 32 14.004 -5.538 -0.657
224 HG SER 32 HG SER 32 12.373 -5.634 0.649
225 H PHE 33 H PHE 33 13.130 -3.671 -3.870
226 HA PHE 33 HA PHE 33 15.684 -4.367 -4.779
227 1HB PHE 33 2HB PHE 33 14.373 -4.636 -6.596
228 2HB PHE 33 1HB PHE 33 13.138 -3.582 -5.932
229 HD1 PHE 33 1HD PHE 33 12.577 -1.735 -7.175
230 HD2 PHE 33 2HD PHE 33 16.517 -3.282 -7.494
231 HE1 PHE 33 1HE PHE 33 13.101 -0.040 -8.862
232 HE2 PHE 33 2HE PHE 33 17.044 -1.590 -9.192
233 HZ PHE 33 HZ PHE 33 15.332 0.031 -9.884
234 H VAL 34 H VAL 34 14.177 -1.259 -4.180
235 HA VAL 34 HA VAL 34 16.181 0.374 -5.347
236 HB VAL 34 HB VAL 34 14.415 1.219 -3.064
237 1HG1 VAL 34 1HG1 VAL 34 14.482 3.374 -4.157
238 2HG1 VAL 34 2HG1 VAL 34 15.427 2.698 -5.486
239 3HG1 VAL 34 3HG1 VAL 34 16.118 2.785 -3.866
240 1HG2 VAL 34 1HG2 VAL 34 12.911 1.900 -5.164
241 2HG2 VAL 34 2HG2 VAL 34 12.723 0.364 -4.313
242 3HG2 VAL 34 3HG2 VAL 34 13.637 0.433 -5.809
243 H SER 35 H SER 35 15.459 -0.200 -1.926
244 HA SER 35 HA SER 35 17.551 1.091 -0.752
245 1HB SER 35 2HB SER 35 16.358 -1.568 0.007
246 2HB SER 35 1HB SER 35 17.436 -0.639 1.047
247 HG SER 35 HG SER 35 14.940 -0.404 1.111
248 H GLY 36 H GLY 36 17.610 -2.333 -1.733
249 1HA GLY 36 2HA GLY 36 20.345 -2.744 -1.149
250 2HA GLY 36 1HA GLY 36 19.363 -3.744 -2.208
251 H VAL 37 H VAL 37 18.710 -2.028 -4.228
252 HA VAL 37 HA VAL 37 21.075 -2.043 -5.785
253 HB VAL 37 HB VAL 37 18.657 -2.211 -6.619
254 1HG1 VAL 37 1HG1 VAL 37 18.441 0.317 -5.504
255 2HG1 VAL 37 2HG1 VAL 37 17.280 -0.481 -6.553
256 3HG1 VAL 37 3HG1 VAL 37 18.484 0.603 -7.241
257 1HG2 VAL 37 1HG2 VAL 37 20.513 -2.117 -8.146
258 2HG2 VAL 37 2HG2 VAL 37 20.563 -0.357 -8.021
259 3HG2 VAL 37 3HG2 VAL 37 19.175 -1.149 -8.764
260 H ALA 38 H ALA 38 19.616 0.312 -3.693
261 HA ALA 38 HA ALA 38 21.012 2.586 -4.797
262 1HB ALA 38 1HB ALA 38 18.963 3.076 -3.767
263 2HB ALA 38 2HB ALA 38 20.194 3.676 -2.655
264 3HB ALA 38 3HB ALA 38 19.371 2.153 -2.321
265 H SER 39 H SER 39 21.688 0.124 -2.452
266 HA SER 39 HA SER 39 23.528 1.407 -0.808
267 1HB SER 39 2HB SER 39 22.537 -1.034 -0.761
268 2HB SER 39 1HB SER 39 24.017 -1.425 -1.636
269 HG SER 39 HG SER 39 25.213 -0.783 0.080
270 H GLY 40 H GLY 40 23.868 0.272 -4.082
271 1HA GLY 40 2HA GLY 40 25.587 1.366 -5.429
272 2HA GLY 40 1HA GLY 40 26.670 1.225 -4.052
273 H ALA 41 H ALA 41 24.497 -1.236 -5.362
274 HA ALA 41 HA ALA 41 26.409 -3.284 -5.265
275 1HB ALA 41 1HB ALA 41 23.704 -2.962 -6.421
276 2HB ALA 41 2HB ALA 41 24.326 -4.185 -5.314
277 3HB ALA 41 3HB ALA 41 24.686 -4.290 -7.038
278 H GLY 42 H GLY 42 25.361 -1.194 -7.919
279 1HA GLY 42 2HA GLY 42 27.094 -0.501 -9.513
280 2HA GLY 42 1HA GLY 42 27.690 -2.152 -9.480
281 H SER 43 H SER 43 25.202 -0.012 -10.665
282 HA SER 43 HA SER 43 24.826 -1.525 -13.022
283 1HB SER 43 2HB SER 43 22.420 -2.116 -12.658
284 2HB SER 43 1HB SER 43 23.538 -3.034 -11.651
285 HG SER 43 HG SER 43 21.649 -2.142 -10.557
286 H ILE 44 H ILE 44 23.103 0.680 -10.821
287 HA ILE 44 HA ILE 44 23.105 2.731 -12.874
288 HB ILE 44 HB ILE 44 20.540 3.083 -12.165
289 1HG1 ILE 44 2HG1 ILE 44 20.517 0.124 -12.570
290 2HG1 ILE 44 1HG1 ILE 44 20.829 0.739 -10.950
291 1HG2 ILE 44 1HG2 ILE 44 19.972 1.865 -14.320
292 2HG2 ILE 44 2HG2 ILE 44 21.685 1.455 -14.411
293 3HG2 ILE 44 3HG2 ILE 44 21.180 3.145 -14.421
294 1HD1 ILE 44 1HD1 ILE 44 18.705 2.100 -11.228
295 2HD1 ILE 44 2HD1 ILE 44 18.524 0.355 -11.044
296 3HD1 ILE 44 3HD1 ILE 44 18.380 1.093 -12.639
297 H GLY 45 H GLY 45 21.037 2.389 -9.999
298 1HA GLY 45 2HA GLY 45 20.914 3.634 -8.073
299 2HA GLY 45 1HA GLY 45 22.663 3.767 -8.190
300 H ARG 46 H ARG 46 20.589 4.964 -10.718
301 HA ARG 46 HA ARG 46 21.051 7.715 -9.782
302 1HB ARG 46 2HB ARG 46 21.645 6.503 -12.450
303 2HB ARG 46 1HB ARG 46 21.132 8.183 -12.380
304 1HG ARG 46 2HG ARG 46 22.989 8.582 -10.739
305 2HG ARG 46 1HG ARG 46 23.559 6.951 -11.101
306 1HD ARG 46 2HD ARG 46 23.658 7.613 -13.511
307 2HD ARG 46 1HD ARG 46 23.294 9.265 -13.014
308 HE ARG 46 HE ARG 46 25.543 8.188 -11.623
309 1HH1 ARG 46 1HH1 ARG 46 24.543 9.657 -14.626
310 2HH1 ARG 46 2HH1 ARG 46 26.113 10.293 -14.982
311 1HH2 ARG 46 1HH2 ARG 46 27.609 9.023 -12.090
312 2HH2 ARG 46 2HH2 ARG 46 27.855 9.933 -13.544
313 H ARG 47 H ARG 47 18.724 6.028 -9.488
314 HA ARG 47 HA ARG 47 16.788 7.258 -11.322
315 1HB ARG 47 2HB ARG 47 16.810 4.784 -9.655
316 2HB ARG 47 1HB ARG 47 15.262 5.550 -9.976
317 1HG ARG 47 2HG ARG 47 17.135 4.946 -12.223
318 2HG ARG 47 1HG ARG 47 16.107 3.683 -11.545
319 1HD ARG 47 2HD ARG 47 14.569 4.412 -12.999
320 2HD ARG 47 1HD ARG 47 14.344 5.747 -11.869
321 HE ARG 47 HE ARG 47 15.201 7.132 -13.455
322 1HH1 ARG 47 1HH1 ARG 47 16.357 3.904 -14.105
323 2HH1 ARG 47 2HH1 ARG 47 17.174 4.355 -15.562
324 1HH2 ARG 47 1HH2 ARG 47 16.277 7.728 -15.371
325 2HH2 ARG 47 2HH2 ARG 47 17.130 6.526 -16.282
326 HA PRO 48 HA PRO 48 15.486 9.959 -8.055
327 1HB PRO 48 2HB PRO 48 13.141 10.817 -9.058
328 2HB PRO 48 1HB PRO 48 14.689 11.293 -9.771
329 1HG PRO 48 2HG PRO 48 12.777 9.157 -10.648
330 2HG PRO 48 1HG PRO 48 13.631 10.362 -11.630
331 1HD PRO 48 2HD PRO 48 14.477 7.788 -11.381
332 2HD PRO 48 1HD PRO 48 15.586 9.155 -11.645
Start of MODEL 16
1 H VAL 1 H VAL 1 -12.163 -7.808 -23.232
2 HA VAL 1 HA VAL 1 -13.836 -7.509 -21.421
3 HB VAL 1 HB VAL 1 -11.612 -5.491 -21.764
4 1HG1 VAL 1 1HG1 VAL 1 -12.724 -5.684 -19.058
5 2HG1 VAL 1 2HG1 VAL 1 -12.300 -4.241 -20.008
6 3HG1 VAL 1 3HG1 VAL 1 -13.894 -5.006 -20.215
7 1HG2 VAL 1 1HG2 VAL 1 -12.022 -7.623 -19.642
8 2HG2 VAL 1 2HG2 VAL 1 -11.311 -8.005 -21.229
9 3HG2 VAL 1 3HG2 VAL 1 -10.505 -6.842 -20.149
10 H ASN 2 H ASN 2 -15.003 -5.645 -20.240
11 HA ASN 2 HA ASN 2 -15.918 -3.451 -21.786
12 1HB ASN 2 2HB ASN 2 -17.450 -5.928 -21.897
13 2HB ASN 2 1HB ASN 2 -18.399 -4.574 -21.314
14 1HD2 ASN 2 1HD2 ASN 2 -18.917 -5.863 -23.704
15 2HD2 ASN 2 2HD2 ASN 2 -18.600 -4.757 -24.995
16 H TYR 3 H TYR 3 -18.419 -3.070 -20.403
17 HA TYR 3 HA TYR 3 -19.238 -2.155 -18.493
18 1HB TYR 3 2HB TYR 3 -17.330 -3.793 -16.843
19 2HB TYR 3 1HB TYR 3 -19.005 -3.369 -16.504
20 HD1 TYR 3 1HD TYR 3 -16.997 -6.038 -17.170
21 HD2 TYR 3 2HD TYR 3 -20.609 -4.300 -18.573
22 HE1 TYR 3 1HE TYR 3 -17.685 -8.215 -18.076
23 HE2 TYR 3 2HE TYR 3 -21.311 -6.469 -19.479
24 HH TYR 3 HH TYR 3 -19.633 -8.757 -20.264
25 H GLY 4 H GLY 4 -18.634 -0.746 -16.578
26 1HA GLY 4 2HA GLY 4 -16.181 0.109 -15.802
27 2HA GLY 4 1HA GLY 4 -16.386 0.929 -17.341
28 H ASN 5 H ASN 5 -17.238 0.813 -14.016
29 HA ASN 5 HA ASN 5 -18.111 2.377 -12.629
30 1HB ASN 5 2HB ASN 5 -18.086 4.071 -15.135
31 2HB ASN 5 1HB ASN 5 -18.674 4.670 -13.587
32 1HD2 ASN 5 1HD2 ASN 5 -16.929 6.231 -14.045
33 2HD2 ASN 5 2HD2 ASN 5 -15.338 5.853 -13.484
34 H GLY 6 H GLY 6 -19.754 0.509 -12.991
35 1HA GLY 6 2HA GLY 6 -22.285 1.345 -12.543
36 2HA GLY 6 1HA GLY 6 -22.203 1.309 -14.300
37 H VAL 7 H VAL 7 -20.783 -0.819 -11.867
38 HA VAL 7 HA VAL 7 -22.571 -2.989 -12.589
39 HB VAL 7 HB VAL 7 -20.607 -4.541 -12.949
40 1HG1 VAL 7 1HG1 VAL 7 -20.938 -2.388 -15.029
41 2HG1 VAL 7 2HG1 VAL 7 -22.079 -3.703 -14.758
42 3HG1 VAL 7 3HG1 VAL 7 -20.437 -4.057 -15.294
43 1HG2 VAL 7 1HG2 VAL 7 -18.496 -3.581 -13.666
44 2HG2 VAL 7 2HG2 VAL 7 -18.883 -3.042 -12.032
45 3HG2 VAL 7 3HG2 VAL 7 -19.119 -1.952 -13.397
46 H SER 8 H SER 8 -21.551 -5.082 -11.342
47 HA SER 8 HA SER 8 -21.566 -4.296 -8.575
48 1HB SER 8 2HB SER 8 -22.850 -6.256 -9.342
49 2HB SER 8 1HB SER 8 -21.354 -7.033 -9.860
50 HG SER 8 HG SER 8 -21.946 -6.246 -7.195
51 H CYS 9 H CYS 9 -19.887 -6.650 -7.837
52 HA CYS 9 HA CYS 9 -17.497 -5.397 -7.301
53 1HB CYS 9 2HB CYS 9 -17.885 -8.368 -7.738
54 2HB CYS 9 1HB CYS 9 -16.556 -7.614 -6.858
55 H SER 10 H SER 10 -15.839 -4.787 -8.454
56 HA SER 10 HA SER 10 -15.453 -5.960 -11.128
57 1HB SER 10 2HB SER 10 -14.739 -3.152 -10.291
58 2HB SER 10 1HB SER 10 -14.752 -3.814 -11.927
59 HG SER 10 HG SER 10 -17.048 -4.100 -11.637
60 H LYS 11 H LYS 11 -13.868 -4.527 -8.316
61 HA LYS 11 HA LYS 11 -11.623 -6.281 -8.600
62 1HB LYS 11 2HB LYS 11 -11.241 -3.324 -9.068
63 2HB LYS 11 1HB LYS 11 -9.936 -4.416 -8.635
64 1HG LYS 11 2HG LYS 11 -10.425 -5.737 -10.671
65 2HG LYS 11 1HG LYS 11 -11.610 -4.515 -11.122
66 1HD LYS 11 2HD LYS 11 -9.458 -2.959 -10.615
67 2HD LYS 11 1HD LYS 11 -8.679 -4.418 -11.233
68 1HE LYS 11 2HE LYS 11 -10.382 -4.298 -13.135
69 2HE LYS 11 1HE LYS 11 -10.702 -2.656 -12.581
70 1HZ LYS 11 1HZ LYS 11 -7.969 -3.576 -13.234
71 2HZ LYS 11 2HZ LYS 11 -8.539 -1.988 -13.110
72 3HZ LYS 11 3HZ LYS 11 -9.004 -2.954 -14.418
73 H THR 12 H THR 12 -11.790 -3.014 -7.206
74 HA THR 12 HA THR 12 -11.143 -4.139 -4.609
75 HB THR 12 HB THR 12 -10.577 -1.944 -3.922
76 HG1 THR 12 1HG THR 12 -12.241 -0.722 -4.681
77 1HG2 THR 12 1HG2 THR 12 -9.515 -2.962 -6.371
78 2HG2 THR 12 2HG2 THR 12 -8.716 -2.044 -5.096
79 3HG2 THR 12 3HG2 THR 12 -9.535 -1.201 -6.411
80 H LYS 13 H LYS 13 -13.842 -2.504 -6.163
81 HA LYS 13 HA LYS 13 -15.192 -2.054 -3.669
82 1HB LYS 13 2HB LYS 13 -15.393 -0.857 -6.043
83 2HB LYS 13 1HB LYS 13 -16.706 -2.016 -6.226
84 1HG LYS 13 2HG LYS 13 -16.432 0.005 -4.005
85 2HG LYS 13 1HG LYS 13 -17.532 0.102 -5.380
86 1HD LYS 13 2HD LYS 13 -18.408 -2.181 -4.547
87 2HD LYS 13 1HD LYS 13 -17.597 -1.768 -3.038
88 1HE LYS 13 2HE LYS 13 -18.911 0.298 -2.903
89 2HE LYS 13 1HE LYS 13 -19.718 -0.121 -4.414
90 1HZ LYS 13 1HZ LYS 13 -19.793 -1.873 -2.028
91 2HZ LYS 13 2HZ LYS 13 -20.764 -1.955 -3.408
92 3HZ LYS 13 3HZ LYS 13 -20.955 -0.677 -2.317
93 H CYS 14 H CYS 14 -15.282 -4.129 -2.752
94 HA CYS 14 HA CYS 14 -17.695 -5.528 -3.384
95 1HB CYS 14 2HB CYS 14 -15.837 -6.463 -4.942
96 2HB CYS 14 1HB CYS 14 -15.212 -7.203 -3.473
97 H SER 15 H SER 15 -14.661 -6.600 -1.858
98 HA SER 15 HA SER 15 -15.710 -6.130 0.807
99 1HB SER 15 2HB SER 15 -14.792 -8.926 0.387
100 2HB SER 15 1HB SER 15 -16.020 -8.298 1.485
101 HG SER 15 HG SER 15 -17.423 -8.897 0.058
102 H VAL 16 H VAL 16 -14.039 -5.385 1.984
103 HA VAL 16 HA VAL 16 -11.958 -5.226 2.908
104 HB VAL 16 HB VAL 16 -11.049 -7.484 1.116
105 1HG1 VAL 16 1HG1 VAL 16 -9.167 -6.458 2.049
106 2HG1 VAL 16 2HG1 VAL 16 -9.491 -7.833 3.103
107 3HG1 VAL 16 3HG1 VAL 16 -9.960 -6.208 3.603
108 1HG2 VAL 16 1HG2 VAL 16 -11.457 -8.706 3.453
109 2HG2 VAL 16 2HG2 VAL 16 -12.698 -8.608 2.202
110 3HG2 VAL 16 3HG2 VAL 16 -12.724 -7.483 3.557
111 H ASN 17 H ASN 17 -10.454 -3.710 2.449
112 HA ASN 17 HA ASN 17 -10.417 -2.567 -0.156
113 1HB ASN 17 2HB ASN 17 -9.989 -1.445 2.153
114 2HB ASN 17 1HB ASN 17 -8.323 -1.965 1.905
115 1HD2 ASN 17 1HD2 ASN 17 -10.962 -0.237 0.300
116 2HD2 ASN 17 2HD2 ASN 17 -9.950 0.902 -0.516
117 H TRP 18 H TRP 18 -9.173 -3.031 -1.835
118 HA TRP 18 HA TRP 18 -7.013 -4.999 -1.536
119 1HB TRP 18 2HB TRP 18 -8.979 -4.727 -3.427
120 2HB TRP 18 1HB TRP 18 -7.615 -3.957 -4.236
121 HD1 TRP 18 HD TRP 18 -5.918 -5.535 -5.364
122 HE1 TRP 18 1HE TRP 18 -5.463 -8.068 -5.318
123 HE3 TRP 18 3HE TRP 18 -9.238 -6.892 -1.728
124 HZ2 TRP 18 2HZ TRP 18 -6.391 -10.340 -3.925
125 HZ3 TRP 18 3HZ TRP 18 -9.393 -9.263 -1.097
126 HH2 TRP 18 HH TRP 18 -7.999 -10.951 -2.174
127 H GLY 19 H GLY 19 -7.547 -1.668 -2.636
128 1HA GLY 19 2HA GLY 19 -5.180 -0.974 -3.779
129 2HA GLY 19 1HA GLY 19 -6.073 0.104 -2.720
130 H GLN 20 H GLN 20 -5.761 -1.017 -0.264
131 HA GLN 20 HA GLN 20 -3.145 -0.208 0.429
132 1HB GLN 20 2HB GLN 20 -5.434 -0.435 1.814
133 2HB GLN 20 1HB GLN 20 -4.651 -1.923 2.325
134 1HG GLN 20 2HG GLN 20 -2.642 -0.095 2.601
135 2HG GLN 20 1HG GLN 20 -4.071 0.845 3.032
136 1HE2 GLN 20 1HE2 GLN 20 -3.694 0.994 5.189
137 2HE2 GLN 20 2HE2 GLN 20 -3.691 -0.360 6.263
138 H ALA 21 H ALA 21 -4.596 -3.348 -0.143
139 HA ALA 21 HA ALA 21 -2.491 -4.936 0.882
140 1HB ALA 21 1HB ALA 21 -4.761 -5.407 -0.998
141 2HB ALA 21 2HB ALA 21 -4.476 -6.085 0.605
142 3HB ALA 21 3HB ALA 21 -3.526 -6.646 -0.772
143 H PHE 22 H PHE 22 -3.356 -4.471 -2.550
144 HA PHE 22 HA PHE 22 -1.004 -5.497 -3.614
145 1HB PHE 22 2HB PHE 22 -3.072 -4.867 -4.931
146 2HB PHE 22 1HB PHE 22 -2.516 -3.194 -4.855
147 HD1 PHE 22 1HD PHE 22 -1.542 -2.453 -6.722
148 HD2 PHE 22 2HD PHE 22 -0.946 -6.501 -5.592
149 HE1 PHE 22 1HE PHE 22 -0.032 -2.744 -8.618
150 HE2 PHE 22 2HE PHE 22 0.566 -6.814 -7.489
151 HZ PHE 22 HZ PHE 22 1.025 -4.939 -9.028
152 H GLN 23 H GLN 23 -1.425 -2.459 -2.012
153 HA GLN 23 HA GLN 23 0.786 -1.289 -3.433
154 1HB GLN 23 2HB GLN 23 -1.002 0.183 -2.716
155 2HB GLN 23 1HB GLN 23 -0.736 -0.265 -1.034
156 1HG GLN 23 2HG GLN 23 1.404 0.783 -1.018
157 2HG GLN 23 1HG GLN 23 1.345 1.049 -2.758
158 1HE2 GLN 23 1HE2 GLN 23 1.097 3.098 -3.185
159 2HE2 GLN 23 2HE2 GLN 23 0.066 4.203 -2.348
160 H GLU 24 H GLU 24 0.193 -2.529 -0.182
161 HA GLU 24 HA GLU 24 2.817 -2.005 0.778
162 1HB GLU 24 2HB GLU 24 0.529 -2.618 2.010
163 2HB GLU 24 1HB GLU 24 1.196 -4.241 1.904
164 1HG GLU 24 2HG GLU 24 2.869 -2.028 2.984
165 2HG GLU 24 1HG GLU 24 1.633 -2.767 3.999
166 H ARG 25 H ARG 25 1.239 -4.613 -0.878
167 HA ARG 25 HA ARG 25 3.244 -6.579 -0.586
168 1HB ARG 25 2HB ARG 25 0.678 -6.476 -1.565
169 2HB ARG 25 1HB ARG 25 1.622 -6.676 -3.032
170 1HG ARG 25 2HG ARG 25 2.760 -8.616 -1.830
171 2HG ARG 25 1HG ARG 25 1.444 -8.496 -0.661
172 1HD ARG 25 2HD ARG 25 -0.166 -9.104 -2.220
173 2HD ARG 25 1HD ARG 25 0.856 -8.671 -3.590
174 HE ARG 25 HE ARG 25 0.753 -11.192 -2.249
175 1HH1 ARG 25 1HH1 ARG 25 2.841 -9.039 -4.036
176 2HH1 ARG 25 2HH1 ARG 25 3.884 -10.307 -4.586
177 1HH2 ARG 25 1HH2 ARG 25 2.123 -12.860 -2.975
178 2HH2 ARG 25 2HH2 ARG 25 3.476 -12.476 -3.984
179 H TYR 26 H TYR 26 2.403 -4.478 -3.355
180 HA TYR 26 HA TYR 26 4.647 -5.286 -4.867
181 1HB TYR 26 2HB TYR 26 3.817 -3.997 -6.530
182 2HB TYR 26 1HB TYR 26 2.383 -4.203 -5.555
183 HD1 TYR 26 1HD TYR 26 1.147 -2.407 -5.008
184 HD2 TYR 26 2HD TYR 26 5.171 -1.786 -6.139
185 HE1 TYR 26 1HE TYR 26 0.707 -0.014 -5.059
186 HE2 TYR 26 2HE TYR 26 4.772 0.625 -6.171
187 HH TYR 26 HH TYR 26 1.625 2.039 -5.398
188 H THR 27 H THR 27 4.161 -2.543 -2.672
189 HA THR 27 HA THR 27 6.506 -1.136 -3.366
190 HB THR 27 HB THR 27 6.435 -0.490 -0.808
191 HG1 THR 27 1HG THR 27 4.980 -1.643 0.163
192 1HG2 THR 27 1HG2 THR 27 5.827 1.307 -1.976
193 2HG2 THR 27 2HG2 THR 27 4.207 0.854 -1.443
194 3HG2 THR 27 3HG2 THR 27 4.771 0.392 -3.046
195 H ALA 28 H ALA 28 5.930 -3.697 -0.984
196 HA ALA 28 HA ALA 28 8.459 -3.842 0.131
197 1HB ALA 28 1HB ALA 28 7.834 -6.421 0.205
198 2HB ALA 28 2HB ALA 28 6.256 -5.798 -0.275
199 3HB ALA 28 3HB ALA 28 7.009 -5.237 1.218
200 H GLY 29 H GLY 29 7.232 -5.261 -2.862
201 1HA GLY 29 2HA GLY 29 9.679 -6.633 -3.483
202 2HA GLY 29 1HA GLY 29 8.316 -6.382 -4.566
203 H ILE 30 H ILE 30 8.110 -3.725 -4.844
204 HA ILE 30 HA ILE 30 10.292 -3.116 -6.564
205 HB ILE 30 HB ILE 30 7.965 -2.368 -6.982
206 1HG1 ILE 30 2HG1 ILE 30 9.269 0.230 -6.958
207 2HG1 ILE 30 1HG1 ILE 30 10.361 -1.040 -7.500
208 1HG2 ILE 30 1HG2 ILE 30 6.922 -0.652 -5.808
209 2HG2 ILE 30 2HG2 ILE 30 8.417 -0.176 -5.000
210 3HG2 ILE 30 3HG2 ILE 30 7.618 -1.685 -4.562
211 1HD1 ILE 30 1HD1 ILE 30 8.755 -1.691 -9.212
212 2HD1 ILE 30 2HD1 ILE 30 9.213 0.005 -9.366
213 3HD1 ILE 30 3HD1 ILE 30 7.654 -0.429 -8.663
214 H ASN 31 H ASN 31 9.191 -1.628 -3.486
215 HA ASN 31 HA ASN 31 11.165 0.319 -3.294
216 1HB ASN 31 2HB ASN 31 9.070 -0.303 -1.759
217 2HB ASN 31 1HB ASN 31 10.327 -1.061 -0.787
218 1HD2 ASN 31 1HD2 ASN 31 8.646 1.726 -1.292
219 2HD2 ASN 31 2HD2 ASN 31 9.730 2.847 -0.550
220 H SER 32 H SER 32 11.183 -2.998 -1.976
221 HA SER 32 HA SER 32 13.664 -2.989 -0.781
222 1HB SER 32 2HB SER 32 12.229 -5.201 -2.258
223 2HB SER 32 1HB SER 32 13.733 -5.464 -1.376
224 HG SER 32 HG SER 32 11.177 -4.852 -0.404
225 H PHE 33 H PHE 33 12.882 -3.570 -4.187
226 HA PHE 33 HA PHE 33 15.398 -4.254 -5.132
227 1HB PHE 33 2HB PHE 33 14.074 -4.409 -6.944
228 2HB PHE 33 1HB PHE 33 12.893 -3.299 -6.264
229 HD1 PHE 33 1HD PHE 33 16.192 -3.332 -7.988
230 HD2 PHE 33 2HD PHE 33 12.572 -1.219 -7.247
231 HE1 PHE 33 1HE PHE 33 16.851 -1.628 -9.630
232 HE2 PHE 33 2HE PHE 33 13.226 0.479 -8.889
233 HZ PHE 33 HZ PHE 33 15.365 0.280 -10.086
234 H VAL 34 H VAL 34 14.098 -1.083 -4.334
235 HA VAL 34 HA VAL 34 16.224 0.433 -5.497
236 HB VAL 34 HB VAL 34 14.502 1.411 -3.249
237 1HG1 VAL 34 1HG1 VAL 34 16.340 2.814 -4.107
238 2HG1 VAL 34 2HG1 VAL 34 14.750 3.539 -4.341
239 3HG1 VAL 34 3HG1 VAL 34 15.583 2.785 -5.699
240 1HG2 VAL 34 1HG2 VAL 34 12.860 0.457 -4.610
241 2HG2 VAL 34 2HG2 VAL 34 13.710 0.881 -6.094
242 3HG2 VAL 34 3HG2 VAL 34 12.925 2.138 -5.141
243 H SER 35 H SER 35 15.379 -0.086 -2.094
244 HA SER 35 HA SER 35 17.674 0.965 -0.973
245 1HB SER 35 2HB SER 35 16.129 -1.433 0.022
246 2HB SER 35 1HB SER 35 17.202 -0.421 0.986
247 HG SER 35 HG SER 35 15.447 0.682 1.354
248 H GLY 36 H GLY 36 17.127 -2.275 -2.264
249 1HA GLY 36 2HA GLY 36 19.516 -3.475 -1.410
250 2HA GLY 36 1HA GLY 36 18.584 -3.960 -2.821
251 H VAL 37 H VAL 37 18.765 -1.643 -4.349
252 HA VAL 37 HA VAL 37 21.459 -1.912 -5.361
253 HB VAL 37 HB VAL 37 20.744 -0.449 -7.182
254 1HG1 VAL 37 1HG1 VAL 37 20.210 -2.598 -7.751
255 2HG1 VAL 37 2HG1 VAL 37 18.614 -1.850 -7.828
256 3HG1 VAL 37 3HG1 VAL 37 19.081 -2.792 -6.409
257 1HG2 VAL 37 1HG2 VAL 37 18.677 0.641 -7.299
258 2HG2 VAL 37 2HG2 VAL 37 19.227 0.942 -5.652
259 3HG2 VAL 37 3HG2 VAL 37 18.005 -0.291 -5.962
260 H ALA 38 H ALA 38 19.590 0.370 -3.516
261 HA ALA 38 HA ALA 38 21.335 2.595 -3.835
262 1HB ALA 38 1HB ALA 38 20.080 3.508 -1.899
263 2HB ALA 38 2HB ALA 38 19.271 1.949 -1.733
264 3HB ALA 38 3HB ALA 38 19.035 2.914 -3.190
265 H SER 39 H SER 39 21.234 -0.175 -1.724
266 HA SER 39 HA SER 39 23.180 0.864 0.137
267 1HB SER 39 2HB SER 39 22.876 -1.120 1.343
268 2HB SER 39 1HB SER 39 21.298 -0.858 0.599
269 HG SER 39 HG SER 39 21.577 -2.569 -0.617
270 H GLY 40 H GLY 40 23.150 -1.567 -2.464
271 1HA GLY 40 2HA GLY 40 26.112 -1.430 -2.488
272 2HA GLY 40 1HA GLY 40 25.245 -2.944 -2.692
273 H ALA 41 H ALA 41 24.617 0.252 -4.111
274 HA ALA 41 HA ALA 41 23.898 -0.601 -6.625
275 1HB ALA 41 1HB ALA 41 23.790 1.583 -7.145
276 2HB ALA 41 2HB ALA 41 25.438 1.900 -6.605
277 3HB ALA 41 3HB ALA 41 24.126 1.818 -5.430
278 H GLY 42 H GLY 42 27.109 -0.302 -5.290
279 1HA GLY 42 2HA GLY 42 28.614 -0.195 -7.649
280 2HA GLY 42 1HA GLY 42 29.174 -0.855 -6.121
281 H SER 43 H SER 43 28.242 -3.099 -5.633
282 HA SER 43 HA SER 43 28.235 -5.311 -6.144
283 1HB SER 43 2HB SER 43 26.174 -4.379 -7.462
284 2HB SER 43 1HB SER 43 27.166 -4.711 -8.881
285 HG SER 43 HG SER 43 25.709 -6.415 -7.509
286 H ILE 44 H ILE 44 30.611 -4.892 -6.187
287 HA ILE 44 HA ILE 44 32.705 -5.085 -7.071
288 HB ILE 44 HB ILE 44 32.988 -7.103 -8.540
289 1HG1 ILE 44 2HG1 ILE 44 30.011 -7.419 -8.085
290 2HG1 ILE 44 1HG1 ILE 44 30.745 -6.966 -9.621
291 1HG2 ILE 44 1HG2 ILE 44 31.362 -7.550 -6.044
292 2HG2 ILE 44 2HG2 ILE 44 33.080 -7.153 -6.070
293 3HG2 ILE 44 3HG2 ILE 44 32.513 -8.667 -6.776
294 1HD1 ILE 44 1HD1 ILE 44 30.224 -9.288 -9.682
295 2HD1 ILE 44 2HD1 ILE 44 31.052 -9.569 -8.151
296 3HD1 ILE 44 3HD1 ILE 44 31.977 -9.125 -9.586
297 H GLY 45 H GLY 45 31.313 -3.029 -8.414
298 1HA GLY 45 2HA GLY 45 31.448 -3.227 -11.218
299 2HA GLY 45 1HA GLY 45 31.465 -1.735 -10.298
300 H ARG 46 H ARG 46 33.783 -1.685 -8.992
301 HA ARG 46 HA ARG 46 35.659 -1.056 -10.982
302 1HB ARG 46 2HB ARG 46 35.898 -1.374 -8.006
303 2HB ARG 46 1HB ARG 46 37.276 -0.931 -9.004
304 1HG ARG 46 2HG ARG 46 34.694 0.613 -8.887
305 2HG ARG 46 1HG ARG 46 36.136 0.995 -7.946
306 1HD ARG 46 2HD ARG 46 37.243 0.900 -10.369
307 2HD ARG 46 1HD ARG 46 35.603 1.340 -10.842
308 HE ARG 46 HE ARG 46 36.337 3.040 -8.775
309 1HH1 ARG 46 1HH1 ARG 46 37.363 2.343 -12.037
310 2HH1 ARG 46 2HH1 ARG 46 37.942 3.948 -12.332
311 1HH2 ARG 46 1HH2 ARG 46 37.098 5.153 -9.161
312 2HH2 ARG 46 2HH2 ARG 46 37.792 5.544 -10.699
313 H ARG 47 H ARG 47 35.252 -3.987 -9.082
314 HA ARG 47 HA ARG 47 36.286 -6.012 -9.156
315 1HB ARG 47 2HB ARG 47 37.185 -5.287 -11.941
316 2HB ARG 47 1HB ARG 47 36.861 -6.887 -11.293
317 1HG ARG 47 2HG ARG 47 34.441 -5.847 -10.976
318 2HG ARG 47 1HG ARG 47 34.989 -4.833 -12.312
319 1HD ARG 47 2HD ARG 47 35.754 -7.211 -13.248
320 2HD ARG 47 1HD ARG 47 34.412 -7.736 -12.230
321 HE ARG 47 HE ARG 47 33.797 -5.532 -13.985
322 1HH1 ARG 47 1HH1 ARG 47 33.876 -9.002 -13.631
323 2HH1 ARG 47 2HH1 ARG 47 32.684 -9.279 -14.855
324 1HH2 ARG 47 1HH2 ARG 47 32.226 -5.892 -15.590
325 2HH2 ARG 47 2HH2 ARG 47 31.747 -7.513 -15.969
326 HA PRO 48 HA PRO 48 40.346 -4.244 -7.885
327 1HB PRO 48 2HB PRO 48 40.242 -6.793 -6.355
328 2HB PRO 48 1HB PRO 48 40.685 -5.171 -5.806
329 1HG PRO 48 2HG PRO 48 38.326 -6.244 -5.171
330 2HG PRO 48 1HG PRO 48 38.481 -4.517 -5.539
331 1HD PRO 48 2HD PRO 48 37.357 -6.718 -7.205
332 2HD PRO 48 1HD PRO 48 36.870 -5.013 -7.099
Start of MODEL 17
1 H VAL 1 H VAL 1 0.586 2.771 17.990
2 HA VAL 1 HA VAL 1 2.464 4.081 18.955
3 HB VAL 1 HB VAL 1 0.778 5.235 17.530
4 1HG1 VAL 1 1HG1 VAL 1 -0.515 6.144 20.120
5 2HG1 VAL 1 2HG1 VAL 1 -1.125 6.309 18.456
6 3HG1 VAL 1 3HG1 VAL 1 -1.100 4.712 19.240
7 1HG2 VAL 1 1HG2 VAL 1 2.673 6.508 18.410
8 2HG2 VAL 1 2HG2 VAL 1 1.216 7.529 18.438
9 3HG2 VAL 1 3HG2 VAL 1 1.811 6.787 19.942
10 H ASN 2 H ASN 2 1.643 6.378 20.584
11 HA ASN 2 HA ASN 2 0.872 5.380 23.155
12 1HB ASN 2 2HB ASN 2 3.752 6.052 22.592
13 2HB ASN 2 1HB ASN 2 3.076 6.128 24.215
14 1HD2 ASN 2 1HD2 ASN 2 2.095 4.149 25.049
15 2HD2 ASN 2 2HD2 ASN 2 2.768 2.628 24.580
16 H TYR 3 H TYR 3 0.369 7.569 21.107
17 HA TYR 3 HA TYR 3 1.084 10.018 22.460
18 1HB TYR 3 2HB TYR 3 -0.959 9.765 20.246
19 2HB TYR 3 1HB TYR 3 0.065 11.142 20.640
20 HD1 TYR 3 1HD TYR 3 2.459 11.122 20.023
21 HD2 TYR 3 2HD TYR 3 -0.171 7.999 18.830
22 HE1 TYR 3 1HE TYR 3 4.096 10.389 18.347
23 HE2 TYR 3 2HE TYR 3 1.463 7.260 17.155
24 HH TYR 3 HH TYR 3 4.247 9.124 16.344
25 H GLY 4 H GLY 4 -1.460 11.348 21.875
26 1HA GLY 4 2HA GLY 4 -3.658 10.198 23.167
27 2HA GLY 4 1HA GLY 4 -2.727 11.084 24.372
28 H ASN 5 H ASN 5 -4.204 11.433 21.165
29 HA ASN 5 HA ASN 5 -5.519 13.113 20.332
30 1HB ASN 5 2HB ASN 5 -5.939 13.575 22.927
31 2HB ASN 5 1HB ASN 5 -4.958 14.996 22.578
32 1HD2 ASN 5 1HD2 ASN 5 -7.662 15.037 23.365
33 2HD2 ASN 5 2HD2 ASN 5 -8.583 15.713 22.069
34 H GLY 6 H GLY 6 -3.911 13.279 18.742
35 1HA GLY 6 2HA GLY 6 -2.974 15.510 17.820
36 2HA GLY 6 1HA GLY 6 -1.877 15.357 19.185
37 H VAL 7 H VAL 7 -2.779 14.071 16.063
38 HA VAL 7 HA VAL 7 -1.642 12.827 14.529
39 HB VAL 7 HB VAL 7 0.779 13.599 16.169
40 1HG1 VAL 7 1HG1 VAL 7 1.305 11.729 14.753
41 2HG1 VAL 7 2HG1 VAL 7 2.022 13.184 14.066
42 3HG1 VAL 7 3HG1 VAL 7 0.547 12.515 13.368
43 1HG2 VAL 7 1HG2 VAL 7 0.242 15.660 15.460
44 2HG2 VAL 7 2HG2 VAL 7 -0.884 15.055 14.246
45 3HG2 VAL 7 3HG2 VAL 7 0.843 15.109 13.898
46 H SER 8 H SER 8 -1.869 10.684 14.446
47 HA SER 8 HA SER 8 -0.274 8.910 15.967
48 1HB SER 8 2HB SER 8 -1.931 7.857 17.354
49 2HB SER 8 1HB SER 8 -1.959 9.585 17.697
50 HG SER 8 HG SER 8 -4.054 9.040 17.432
51 H CYS 9 H CYS 9 -0.059 7.071 14.909
52 HA CYS 9 HA CYS 9 -0.337 5.398 13.429
53 1HB CYS 9 2HB CYS 9 -3.173 6.172 13.956
54 2HB CYS 9 1HB CYS 9 -2.830 5.034 12.655
55 H SER 10 H SER 10 -2.428 8.094 12.380
56 HA SER 10 HA SER 10 -2.628 9.194 10.420
57 1HB SER 10 2HB SER 10 -0.652 9.610 9.093
58 2HB SER 10 1HB SER 10 -0.220 9.670 10.798
59 HG SER 10 HG SER 10 1.234 8.252 10.269
60 H LYS 11 H LYS 11 -3.626 6.540 10.470
61 HA LYS 11 HA LYS 11 -4.705 5.191 8.978
62 1HB LYS 11 2HB LYS 11 -4.534 7.224 7.419
63 2HB LYS 11 1HB LYS 11 -3.159 6.404 6.698
64 1HG LYS 11 2HG LYS 11 -4.474 4.654 5.888
65 2HG LYS 11 1HG LYS 11 -5.821 5.055 6.954
66 1HD LYS 11 2HD LYS 11 -6.650 6.570 5.520
67 2HD LYS 11 1HD LYS 11 -5.056 7.236 5.166
68 1HE LYS 11 2HE LYS 11 -5.986 4.604 4.052
69 2HE LYS 11 1HE LYS 11 -6.304 6.136 3.240
70 1HZ LYS 11 1HZ LYS 11 -4.141 6.393 2.672
71 2HZ LYS 11 2HZ LYS 11 -4.155 4.703 2.751
72 3HZ LYS 11 3HZ LYS 11 -3.551 5.605 4.049
73 H THR 12 H THR 12 -1.387 5.670 7.749
74 HA THR 12 HA THR 12 -1.139 2.818 7.301
75 HB THR 12 HB THR 12 -0.241 4.175 5.572
76 HG1 THR 12 1HG THR 12 2.000 3.372 7.109
77 1HG2 THR 12 1HG2 THR 12 1.865 5.613 6.298
78 2HG2 THR 12 2HG2 THR 12 0.920 5.758 7.780
79 3HG2 THR 12 3HG2 THR 12 0.233 6.281 6.242
80 H LYS 13 H LYS 13 -1.394 2.570 9.761
81 HA LYS 13 HA LYS 13 1.211 1.954 10.796
82 1HB LYS 13 2HB LYS 13 0.942 4.349 11.410
83 2HB LYS 13 1HB LYS 13 -0.494 3.920 12.325
84 1HG LYS 13 2HG LYS 13 0.872 3.733 14.071
85 2HG LYS 13 1HG LYS 13 1.390 2.210 13.346
86 1HD LYS 13 2HD LYS 13 2.759 4.490 12.180
87 2HD LYS 13 1HD LYS 13 2.993 4.403 13.926
88 1HE LYS 13 2HE LYS 13 4.723 3.087 13.194
89 2HE LYS 13 1HE LYS 13 3.464 1.875 13.425
90 1HZ LYS 13 1HZ LYS 13 3.200 1.587 11.195
91 2HZ LYS 13 2HZ LYS 13 4.841 1.993 11.219
92 3HZ LYS 13 3HZ LYS 13 3.690 3.159 10.803
93 H CYS 14 H CYS 14 -2.160 2.432 11.862
94 HA CYS 14 HA CYS 14 -2.092 -0.308 12.947
95 1HB CYS 14 2HB CYS 14 -3.591 0.469 14.744
96 2HB CYS 14 1HB CYS 14 -2.036 1.299 14.775
97 H SER 15 H SER 15 -2.926 0.295 10.342
98 HA SER 15 HA SER 15 -5.725 -0.521 10.534
99 1HB SER 15 2HB SER 15 -5.061 1.465 8.405
100 2HB SER 15 1HB SER 15 -6.597 1.155 9.212
101 HG SER 15 HG SER 15 -4.362 2.575 10.206
102 H VAL 16 H VAL 16 -6.504 -0.976 8.128
103 HA VAL 16 HA VAL 16 -4.494 -1.963 6.344
104 HB VAL 16 HB VAL 16 -4.407 -3.774 7.970
105 1HG1 VAL 16 1HG1 VAL 16 -6.968 -3.292 8.541
106 2HG1 VAL 16 2HG1 VAL 16 -6.183 -4.833 8.889
107 3HG1 VAL 16 3HG1 VAL 16 -7.179 -4.656 7.443
108 1HG2 VAL 16 1HG2 VAL 16 -5.957 -5.112 5.854
109 2HG2 VAL 16 2HG2 VAL 16 -4.304 -5.393 6.403
110 3HG2 VAL 16 3HG2 VAL 16 -4.653 -4.064 5.296
111 H ASN 17 H ASN 17 -5.459 -0.988 4.666
112 HA ASN 17 HA ASN 17 -8.275 -1.656 4.080
113 1HB ASN 17 2HB ASN 17 -6.638 0.785 3.702
114 2HB ASN 17 1HB ASN 17 -7.699 0.365 2.355
115 1HD2 ASN 17 1HD2 ASN 17 -9.848 0.685 2.540
116 2HD2 ASN 17 2HD2 ASN 17 -10.619 1.343 3.940
117 H TRP 18 H TRP 18 -8.828 -2.216 1.904
118 HA TRP 18 HA TRP 18 -7.302 -4.139 0.694
119 1HB TRP 18 2HB TRP 18 -9.741 -3.039 0.156
120 2HB TRP 18 1HB TRP 18 -8.811 -2.460 -1.224
121 HD1 TRP 18 HD TRP 18 -7.385 -4.561 -2.538
122 HE1 TRP 18 1HE TRP 18 -8.282 -6.903 -3.126
123 HE3 TRP 18 3HE TRP 18 -11.316 -4.781 0.732
124 HZ2 TRP 18 2HZ TRP 18 -10.372 -8.616 -2.311
125 HZ3 TRP 18 3HZ TRP 18 -12.711 -6.809 0.765
126 HH2 TRP 18 HH TRP 18 -12.248 -8.685 -0.727
127 H GLY 19 H GLY 19 -7.105 -0.669 0.310
128 1HA GLY 19 2HA GLY 19 -5.504 -0.534 -1.993
129 2HA GLY 19 1HA GLY 19 -5.569 0.681 -0.726
130 H GLN 20 H GLN 20 -4.488 -0.437 1.424
131 HA GLN 20 HA GLN 20 -1.751 -0.307 0.978
132 1HB GLN 20 2HB GLN 20 -3.194 -1.619 3.289
133 2HB GLN 20 1HB GLN 20 -1.500 -1.150 3.277
134 1HG GLN 20 2HG GLN 20 -2.488 1.211 2.692
135 2HG GLN 20 1HG GLN 20 -3.936 0.547 3.447
136 1HE2 GLN 20 1HE2 GLN 20 -2.445 -1.120 5.305
137 2HE2 GLN 20 2HE2 GLN 20 -1.790 -0.058 6.496
138 H ALA 21 H ALA 21 -3.884 -2.997 0.618
139 HA ALA 21 HA ALA 21 -2.056 -5.114 0.977
140 1HB ALA 21 1HB ALA 21 -4.145 -5.492 -1.064
141 2HB ALA 21 2HB ALA 21 -4.721 -4.968 0.519
142 3HB ALA 21 3HB ALA 21 -3.775 -6.448 0.371
143 H PHE 22 H PHE 22 -3.368 -4.070 -2.173
144 HA PHE 22 HA PHE 22 -1.460 -5.327 -3.732
145 1HB PHE 22 2HB PHE 22 -3.512 -4.143 -4.616
146 2HB PHE 22 1HB PHE 22 -2.629 -2.623 -4.435
147 HD1 PHE 22 1HD PHE 22 -2.611 -5.893 -6.165
148 HD2 PHE 22 2HD PHE 22 -1.035 -1.956 -5.943
149 HE1 PHE 22 1HE PHE 22 -1.424 -6.246 -8.279
150 HE2 PHE 22 2HE PHE 22 0.136 -2.290 -8.052
151 HZ PHE 22 HZ PHE 22 -0.053 -4.440 -9.249
152 H GLN 23 H GLN 23 -1.200 -2.272 -2.028
153 HA GLN 23 HA GLN 23 1.171 -1.464 -3.441
154 1HB GLN 23 2HB GLN 23 -0.544 -0.389 -1.285
155 2HB GLN 23 1HB GLN 23 1.146 0.076 -1.186
156 1HG GLN 23 2HG GLN 23 1.086 1.219 -3.194
157 2HG GLN 23 1HG GLN 23 -0.367 0.380 -3.740
158 1HE2 GLN 23 1HE2 GLN 23 -2.120 0.652 -1.784
159 2HE2 GLN 23 2HE2 GLN 23 -2.461 2.312 -1.453
160 H GLU 24 H GLU 24 0.472 -2.691 -0.181
161 HA GLU 24 HA GLU 24 3.105 -2.659 0.784
162 1HB GLU 24 2HB GLU 24 1.144 -2.950 2.239
163 2HB GLU 24 1HB GLU 24 0.827 -4.512 1.506
164 1HG GLU 24 2HG GLU 24 2.939 -5.359 2.370
165 2HG GLU 24 1HG GLU 24 3.274 -3.788 3.097
166 H ARG 25 H ARG 25 1.393 -4.772 -1.318
167 HA ARG 25 HA ARG 25 3.264 -6.943 -1.169
168 1HB ARG 25 2HB ARG 25 0.629 -6.592 -2.036
169 2HB ARG 25 1HB ARG 25 1.532 -6.902 -3.510
170 1HG ARG 25 2HG ARG 25 2.495 -8.925 -2.396
171 2HG ARG 25 1HG ARG 25 1.372 -8.644 -1.066
172 1HD ARG 25 2HD ARG 25 0.240 -8.722 -3.804
173 2HD ARG 25 1HD ARG 25 0.807 -10.246 -3.123
174 HE ARG 25 HE ARG 25 -1.557 -8.844 -2.411
175 1HH1 ARG 25 1HH1 ARG 25 0.984 -10.831 -1.083
176 2HH1 ARG 25 2HH1 ARG 25 0.006 -11.435 0.213
177 1HH2 ARG 25 1HH2 ARG 25 -2.846 -9.638 -0.709
178 2HH2 ARG 25 2HH2 ARG 25 -2.169 -10.758 0.425
179 H TYR 26 H TYR 26 2.280 -4.659 -3.725
180 HA TYR 26 HA TYR 26 4.503 -5.369 -5.405
181 1HB TYR 26 2HB TYR 26 3.393 -4.283 -7.031
182 2HB TYR 26 1HB TYR 26 2.060 -4.368 -5.900
183 HD1 TYR 26 1HD TYR 26 4.810 -2.108 -7.006
184 HD2 TYR 26 2HD TYR 26 0.973 -2.442 -5.267
185 HE1 TYR 26 1HE TYR 26 4.542 0.327 -7.099
186 HE2 TYR 26 2HE TYR 26 0.675 -0.027 -5.350
187 HH TYR 26 HH TYR 26 1.803 1.902 -6.946
188 H THR 27 H THR 27 3.731 -2.483 -3.435
189 HA THR 27 HA THR 27 6.017 -1.032 -4.204
190 HB THR 27 HB THR 27 4.823 -0.710 -1.474
191 HG1 THR 27 1HG THR 27 3.167 0.550 -2.492
192 1HG2 THR 27 1HG2 THR 27 4.968 1.713 -2.137
193 2HG2 THR 27 2HG2 THR 27 5.881 1.184 -3.550
194 3HG2 THR 27 3HG2 THR 27 6.508 0.880 -1.931
195 H ALA 28 H ALA 28 5.462 -3.367 -1.624
196 HA ALA 28 HA ALA 28 7.871 -3.050 -0.239
197 1HB ALA 28 1HB ALA 28 7.509 -5.425 0.484
198 2HB ALA 28 2HB ALA 28 6.126 -5.475 -0.608
199 3HB ALA 28 3HB ALA 28 6.137 -4.348 0.749
200 H GLY 29 H GLY 29 7.082 -5.275 -2.918
201 1HA GLY 29 2HA GLY 29 9.689 -6.401 -3.054
202 2HA GLY 29 1HA GLY 29 8.455 -6.502 -4.302
203 H ILE 30 H ILE 30 8.140 -3.788 -4.889
204 HA ILE 30 HA ILE 30 10.369 -3.397 -6.625
205 HB ILE 30 HB ILE 30 8.065 -2.728 -7.225
206 1HG1 ILE 30 2HG1 ILE 30 9.252 -0.097 -7.418
207 2HG1 ILE 30 1HG1 ILE 30 10.460 -1.342 -7.714
208 1HG2 ILE 30 1HG2 ILE 30 6.933 -0.937 -6.246
209 2HG2 ILE 30 2HG2 ILE 30 8.381 -0.352 -5.426
210 3HG2 ILE 30 3HG2 ILE 30 7.599 -1.835 -4.882
211 1HD1 ILE 30 1HD1 ILE 30 9.079 -2.297 -9.461
212 2HD1 ILE 30 2HD1 ILE 30 9.388 -0.588 -9.772
213 3HD1 ILE 30 3HD1 ILE 30 7.824 -1.102 -9.141
214 H ASN 31 H ASN 31 9.173 -1.659 -3.755
215 HA ASN 31 HA ASN 31 11.109 0.354 -3.708
216 1HB ASN 31 2HB ASN 31 8.958 0.172 -2.315
217 2HB ASN 31 1HB ASN 31 9.898 -0.832 -1.210
218 1HD2 ASN 31 1HD2 ASN 31 8.678 2.008 -1.242
219 2HD2 ASN 31 2HD2 ASN 31 9.941 2.975 -0.572
220 H SER 32 H SER 32 11.114 -2.895 -2.300
221 HA SER 32 HA SER 32 13.468 -2.685 -0.814
222 1HB SER 32 2HB SER 32 13.632 -5.192 -1.144
223 2HB SER 32 1HB SER 32 12.086 -4.627 -0.510
224 HG SER 32 HG SER 32 12.702 -5.747 -2.973
225 H PHE 33 H PHE 33 12.970 -3.693 -4.178
226 HA PHE 33 HA PHE 33 15.520 -4.348 -4.941
227 1HB PHE 33 2HB PHE 33 14.224 -4.581 -6.795
228 2HB PHE 33 1HB PHE 33 13.119 -3.311 -6.290
229 HD1 PHE 33 1HD PHE 33 15.823 -4.185 -8.470
230 HD2 PHE 33 2HD PHE 33 13.784 -0.916 -6.686
231 HE1 PHE 33 1HE PHE 33 16.815 -2.665 -10.130
232 HE2 PHE 33 2HE PHE 33 14.768 0.614 -8.340
233 HZ PHE 33 HZ PHE 33 16.285 -0.262 -10.070
234 H VAL 34 H VAL 34 14.122 -1.135 -4.516
235 HA VAL 34 HA VAL 34 16.351 0.294 -5.559
236 HB VAL 34 HB VAL 34 14.458 1.502 -3.569
237 1HG1 VAL 34 1HG1 VAL 34 15.613 2.645 -6.096
238 2HG1 VAL 34 2HG1 VAL 34 16.444 2.718 -4.543
239 3HG1 VAL 34 3HG1 VAL 34 14.878 3.505 -4.744
240 1HG2 VAL 34 1HG2 VAL 34 12.829 1.896 -5.295
241 2HG2 VAL 34 2HG2 VAL 34 13.127 0.165 -5.202
242 3HG2 VAL 34 3HG2 VAL 34 13.849 1.112 -6.499
243 H SER 35 H SER 35 15.174 0.206 -2.203
244 HA SER 35 HA SER 35 17.332 1.347 -0.968
245 1HB SER 35 2HB SER 35 15.688 -0.973 0.072
246 2HB SER 35 1HB SER 35 16.696 0.087 1.056
247 HG SER 35 HG SER 35 14.434 0.854 -0.481
248 H GLY 36 H GLY 36 16.905 -2.158 -1.531
249 1HA GLY 36 2HA GLY 36 19.377 -2.995 -0.534
250 2HA GLY 36 1HA GLY 36 18.448 -3.845 -1.757
251 H VAL 37 H VAL 37 18.481 -2.039 -3.826
252 HA VAL 37 HA VAL 37 21.089 -2.465 -4.908
253 HB VAL 37 HB VAL 37 18.659 -1.000 -5.939
254 1HG1 VAL 37 1HG1 VAL 37 21.398 -1.181 -7.103
255 2HG1 VAL 37 2HG1 VAL 37 20.260 0.166 -7.107
256 3HG1 VAL 37 3HG1 VAL 37 19.997 -1.213 -8.174
257 1HG2 VAL 37 1HG2 VAL 37 18.213 -2.887 -7.177
258 2HG2 VAL 37 2HG2 VAL 37 18.898 -3.588 -5.714
259 3HG2 VAL 37 3HG2 VAL 37 19.890 -3.426 -7.161
260 H ALA 38 H ALA 38 19.548 0.107 -3.190
261 HA ALA 38 HA ALA 38 21.366 2.176 -4.054
262 1HB ALA 38 1HB ALA 38 20.090 3.634 -2.802
263 2HB ALA 38 2HB ALA 38 19.640 2.398 -1.627
264 3HB ALA 38 3HB ALA 38 18.912 2.395 -3.231
265 H SER 39 H SER 39 21.290 -0.235 -1.581
266 HA SER 39 HA SER 39 22.970 1.021 0.316
267 1HB SER 39 2HB SER 39 21.476 -1.080 0.577
268 2HB SER 39 1HB SER 39 22.860 -1.960 -0.069
269 HG SER 39 HG SER 39 22.555 -1.484 2.375
270 H GLY 40 H GLY 40 23.615 -0.823 -2.590
271 1HA GLY 40 2HA GLY 40 25.758 -0.244 -3.683
272 2HA GLY 40 1HA GLY 40 26.512 -0.429 -2.108
273 H ALA 41 H ALA 41 24.154 -2.769 -2.458
274 HA ALA 41 HA ALA 41 24.182 -5.008 -2.858
275 1HB ALA 41 1HB ALA 41 26.328 -4.213 -4.807
276 2HB ALA 41 2HB ALA 41 24.616 -4.476 -5.140
277 3HB ALA 41 3HB ALA 41 25.646 -5.834 -4.689
278 H GLY 42 H GLY 42 26.237 -3.586 -1.002
279 1HA GLY 42 2HA GLY 42 27.286 -5.926 0.155
280 2HA GLY 42 1HA GLY 42 28.536 -5.184 -0.831
281 H SER 43 H SER 43 26.215 -4.435 1.750
282 HA SER 43 HA SER 43 28.099 -2.413 2.760
283 1HB SER 43 2HB SER 43 25.158 -2.605 2.697
284 2HB SER 43 1HB SER 43 25.830 -2.016 4.216
285 HG SER 43 HG SER 43 26.437 -0.971 1.648
286 H ILE 44 H ILE 44 26.792 -5.509 3.403
287 HA ILE 44 HA ILE 44 26.760 -6.873 5.249
288 HB ILE 44 HB ILE 44 28.943 -7.112 6.341
289 1HG1 ILE 44 2HG1 ILE 44 29.800 -4.691 4.743
290 2HG1 ILE 44 1HG1 ILE 44 29.418 -4.648 6.462
291 1HG2 ILE 44 1HG2 ILE 44 30.300 -7.503 4.290
292 2HG2 ILE 44 2HG2 ILE 44 29.043 -6.689 3.360
293 3HG2 ILE 44 3HG2 ILE 44 28.676 -8.185 4.218
294 1HD1 ILE 44 1HD1 ILE 44 31.680 -6.076 5.104
295 2HD1 ILE 44 2HD1 ILE 44 31.220 -6.377 6.780
296 3HD1 ILE 44 3HD1 ILE 44 31.762 -4.772 6.289
297 H GLY 45 H GLY 45 25.346 -4.571 5.802
298 1HA GLY 45 2HA GLY 45 25.750 -4.411 8.699
299 2HA GLY 45 1HA GLY 45 25.745 -2.901 7.798
300 H ARG 46 H ARG 46 23.790 -5.880 7.904
301 HA ARG 46 HA ARG 46 21.386 -4.313 7.465
302 1HB ARG 46 2HB ARG 46 21.998 -7.244 7.569
303 2HB ARG 46 1HB ARG 46 20.334 -6.692 7.703
304 1HG ARG 46 2HG ARG 46 20.396 -6.945 5.465
305 2HG ARG 46 1HG ARG 46 21.059 -5.312 5.534
306 1HD ARG 46 2HD ARG 46 22.885 -6.047 4.507
307 2HD ARG 46 1HD ARG 46 23.224 -7.077 5.897
308 HE ARG 46 HE ARG 46 21.366 -8.421 4.345
309 1HH1 ARG 46 1HH1 ARG 46 24.636 -7.253 3.998
310 2HH1 ARG 46 2HH1 ARG 46 25.091 -8.488 2.873
311 1HH2 ARG 46 1HH2 ARG 46 21.961 -10.046 2.866
312 2HH2 ARG 46 2HH2 ARG 46 23.572 -10.075 2.229
313 H ARG 47 H ARG 47 22.862 -6.222 10.029
314 HA ARG 47 HA ARG 47 22.179 -6.696 12.176
315 1HB ARG 47 2HB ARG 47 21.890 -3.695 12.136
316 2HB ARG 47 1HB ARG 47 22.158 -4.691 13.558
317 1HG ARG 47 2HG ARG 47 24.179 -5.222 11.592
318 2HG ARG 47 1HG ARG 47 24.084 -3.491 11.923
319 1HD ARG 47 2HD ARG 47 24.749 -3.730 14.087
320 2HD ARG 47 1HD ARG 47 24.042 -5.338 14.242
321 HE ARG 47 HE ARG 47 26.028 -5.863 12.584
322 1HH1 ARG 47 1HH1 ARG 47 26.033 -3.900 15.476
323 2HH1 ARG 47 2HH1 ARG 47 27.705 -4.188 15.812
324 1HH2 ARG 47 1HH2 ARG 47 28.221 -6.241 13.032
325 2HH2 ARG 47 2HH2 ARG 47 28.948 -5.516 14.427
326 HA PRO 48 HA PRO 48 17.662 -6.703 11.977
327 1HB PRO 48 2HB PRO 48 17.283 -8.960 13.379
328 2HB PRO 48 1HB PRO 48 17.833 -8.997 11.698
329 1HG PRO 48 2HG PRO 48 19.425 -9.279 14.218
330 2HG PRO 48 1HG PRO 48 19.537 -10.214 12.717
331 1HD PRO 48 2HD PRO 48 21.228 -8.158 13.353
332 2HD PRO 48 1HD PRO 48 20.841 -8.633 11.687
Start of MODEL 18
1 H VAL 1 H VAL 1 -16.714 3.061 5.421
2 HA VAL 1 HA VAL 1 -17.451 4.874 3.891
3 HB VAL 1 HB VAL 1 -19.132 3.271 3.975
4 1HG1 VAL 1 1HG1 VAL 1 -20.512 2.933 6.105
5 2HG1 VAL 1 2HG1 VAL 1 -18.806 2.431 6.199
6 3HG1 VAL 1 3HG1 VAL 1 -19.322 3.970 6.928
7 1HG2 VAL 1 1HG2 VAL 1 -21.055 4.516 3.831
8 2HG2 VAL 1 2HG2 VAL 1 -20.806 5.277 5.421
9 3HG2 VAL 1 3HG2 VAL 1 -19.914 5.872 4.000
10 H ASN 2 H ASN 2 -16.154 6.546 5.286
11 HA ASN 2 HA ASN 2 -17.933 8.733 5.770
12 1HB ASN 2 2HB ASN 2 -16.555 7.337 8.031
13 2HB ASN 2 1HB ASN 2 -16.714 9.090 8.090
14 1HD2 ASN 2 1HD2 ASN 2 -17.961 6.671 9.513
15 2HD2 ASN 2 2HD2 ASN 2 -19.647 7.046 9.525
16 H TYR 3 H TYR 3 -16.758 9.725 4.103
17 HA TYR 3 HA TYR 3 -13.881 9.825 4.235
18 1HB TYR 3 2HB TYR 3 -15.788 11.354 2.428
19 2HB TYR 3 1HB TYR 3 -14.042 11.238 2.223
20 HD1 TYR 3 1HD TYR 3 -17.200 9.731 1.499
21 HD2 TYR 3 2HD TYR 3 -13.042 8.910 1.851
22 HE1 TYR 3 1HE TYR 3 -17.504 7.662 0.212
23 HE2 TYR 3 2HE TYR 3 -13.336 6.840 0.560
24 HH TYR 3 HH TYR 3 -15.252 5.227 0.083
25 H GLY 4 H GLY 4 -12.606 11.618 4.675
26 1HA GLY 4 2HA GLY 4 -12.258 13.908 5.287
27 2HA GLY 4 1HA GLY 4 -13.925 13.982 5.850
28 H ASN 5 H ASN 5 -14.473 12.848 7.816
29 HA ASN 5 HA ASN 5 -12.404 13.074 9.791
30 1HB ASN 5 2HB ASN 5 -15.248 12.103 10.084
31 2HB ASN 5 1HB ASN 5 -14.171 12.563 11.401
32 1HD2 ASN 5 1HD2 ASN 5 -16.780 13.641 10.581
33 2HD2 ASN 5 2HD2 ASN 5 -16.526 15.329 10.312
34 H GLY 6 H GLY 6 -14.382 10.388 8.538
35 1HA GLY 6 2HA GLY 6 -13.418 8.352 10.153
36 2HA GLY 6 1HA GLY 6 -14.026 8.125 8.521
37 H VAL 7 H VAL 7 -12.389 8.782 6.778
38 HA VAL 7 HA VAL 7 -9.935 7.329 7.371
39 HB VAL 7 HB VAL 7 -11.178 6.816 5.301
40 1HG1 VAL 7 1HG1 VAL 7 -11.991 9.095 4.841
41 2HG1 VAL 7 2HG1 VAL 7 -11.209 8.359 3.441
42 3HG1 VAL 7 3HG1 VAL 7 -10.351 9.570 4.396
43 1HG2 VAL 7 1HG2 VAL 7 -8.722 6.458 5.493
44 2HG2 VAL 7 2HG2 VAL 7 -8.481 8.012 4.694
45 3HG2 VAL 7 3HG2 VAL 7 -9.283 6.696 3.838
46 H SER 8 H SER 8 -8.032 8.258 7.763
47 HA SER 8 HA SER 8 -7.813 11.124 7.824
48 1HB SER 8 2HB SER 8 -6.778 9.542 9.510
49 2HB SER 8 1HB SER 8 -5.600 9.112 8.268
50 HG SER 8 HG SER 8 -4.573 10.878 8.718
51 H CYS 9 H CYS 9 -8.090 11.603 5.564
52 HA CYS 9 HA CYS 9 -6.398 10.603 3.542
53 1HB CYS 9 2HB CYS 9 -8.657 12.029 3.471
54 2HB CYS 9 1HB CYS 9 -7.509 13.352 3.270
55 H SER 10 H SER 10 -6.255 13.539 5.497
56 HA SER 10 HA SER 10 -4.620 15.048 5.892
57 1HB SER 10 2HB SER 10 -2.221 13.934 5.808
58 2HB SER 10 1HB SER 10 -3.373 13.538 7.081
59 HG SER 10 HG SER 10 -2.242 11.783 5.762
60 H LYS 11 H LYS 11 -2.596 13.220 3.629
61 HA LYS 11 HA LYS 11 -2.968 15.111 1.488
62 1HB LYS 11 2HB LYS 11 -0.765 15.433 3.411
63 2HB LYS 11 1HB LYS 11 -0.267 15.439 1.728
64 1HG LYS 11 2HG LYS 11 -2.542 17.158 2.598
65 2HG LYS 11 1HG LYS 11 -0.881 17.662 2.908
66 1HD LYS 11 2HD LYS 11 -1.777 16.788 0.180
67 2HD LYS 11 1HD LYS 11 -1.987 18.451 0.734
68 1HE LYS 11 2HE LYS 11 0.267 18.871 0.757
69 2HE LYS 11 1HE LYS 11 0.688 17.181 1.026
70 1HZ LYS 11 1HZ LYS 11 -0.168 16.818 -1.323
71 2HZ LYS 11 2HZ LYS 11 1.314 17.617 -1.162
72 3HZ LYS 11 3HZ LYS 11 -0.088 18.498 -1.503
73 H THR 12 H THR 12 -1.422 12.273 2.803
74 HA THR 12 HA THR 12 -0.156 11.623 0.269
75 HB THR 12 HB THR 12 -0.330 9.636 2.487
76 HG1 THR 12 1HG THR 12 1.122 10.712 3.721
77 1HG2 THR 12 1HG2 THR 12 1.174 9.845 0.182
78 2HG2 THR 12 2HG2 THR 12 1.464 8.750 1.535
79 3HG2 THR 12 3HG2 THR 12 2.289 10.308 1.466
80 H LYS 13 H LYS 13 -1.975 11.471 -1.070
81 HA LYS 13 HA LYS 13 -3.800 10.544 -2.054
82 1HB LYS 13 2HB LYS 13 -3.627 8.231 -2.550
83 2HB LYS 13 1HB LYS 13 -1.984 8.835 -2.425
84 1HG LYS 13 2HG LYS 13 -3.083 7.746 0.070
85 2HG LYS 13 1HG LYS 13 -2.901 6.582 -1.240
86 1HD LYS 13 2HD LYS 13 -0.668 8.449 -0.531
87 2HD LYS 13 1HD LYS 13 -0.920 6.958 0.377
88 1HE LYS 13 2HE LYS 13 0.279 5.925 -1.190
89 2HE LYS 13 1HE LYS 13 -1.079 6.183 -2.285
90 1HZ LYS 13 1HZ LYS 13 1.373 7.808 -1.990
91 2HZ LYS 13 2HZ LYS 13 -0.012 8.427 -2.736
92 3HZ LYS 13 3HZ LYS 13 0.759 7.068 -3.383
93 H CYS 14 H CYS 14 -5.482 8.497 -1.609
94 HA CYS 14 HA CYS 14 -6.357 8.784 1.173
95 1HB CYS 14 2HB CYS 14 -7.569 10.096 -0.955
96 2HB CYS 14 1HB CYS 14 -8.599 8.698 -0.666
97 H SER 15 H SER 15 -8.816 7.365 0.768
98 HA SER 15 HA SER 15 -7.800 4.703 0.943
99 1HB SER 15 2HB SER 15 -10.078 6.024 1.850
100 2HB SER 15 1HB SER 15 -10.693 4.848 0.697
101 HG SER 15 HG SER 15 -9.333 3.300 1.886
102 H VAL 16 H VAL 16 -8.390 2.931 -0.338
103 HA VAL 16 HA VAL 16 -9.774 3.230 -2.810
104 HB VAL 16 HB VAL 16 -7.674 4.312 -3.454
105 1HG1 VAL 16 1HG1 VAL 16 -6.059 1.873 -3.317
106 2HG1 VAL 16 2HG1 VAL 16 -6.462 2.581 -1.751
107 3HG1 VAL 16 3HG1 VAL 16 -5.626 3.544 -2.968
108 1HG2 VAL 16 1HG2 VAL 16 -8.718 3.220 -5.246
109 2HG2 VAL 16 2HG2 VAL 16 -8.276 1.622 -4.645
110 3HG2 VAL 16 3HG2 VAL 16 -7.041 2.684 -5.320
111 H ASN 17 H ASN 17 -10.563 1.304 -3.397
112 HA ASN 17 HA ASN 17 -10.193 -0.980 -1.800
113 1HB ASN 17 2HB ASN 17 -12.191 -0.422 -3.290
114 2HB ASN 17 1HB ASN 17 -11.230 -1.027 -4.640
115 1HD2 ASN 17 1HD2 ASN 17 -12.319 -1.951 -1.398
116 2HD2 ASN 17 2HD2 ASN 17 -12.559 -3.622 -1.765
117 H TRP 18 H TRP 18 -8.973 -2.835 -2.063
118 HA TRP 18 HA TRP 18 -7.158 -4.104 -2.681
119 1HB TRP 18 2HB TRP 18 -8.724 -3.951 -4.885
120 2HB TRP 18 1HB TRP 18 -7.275 -3.174 -5.513
121 HD1 TRP 18 HD TRP 18 -5.271 -4.710 -6.140
122 HE1 TRP 18 1HE TRP 18 -4.851 -7.247 -6.049
123 HE3 TRP 18 3HE TRP 18 -9.381 -6.119 -3.448
124 HZ2 TRP 18 2HZ TRP 18 -6.099 -9.541 -4.983
125 HZ3 TRP 18 3HZ TRP 18 -9.693 -8.505 -2.937
126 HH2 TRP 18 HH TRP 18 -8.085 -10.178 -3.690
127 H GLY 19 H GLY 19 -6.752 -1.408 -1.794
128 1HA GLY 19 2HA GLY 19 -4.391 -0.545 -3.345
129 2HA GLY 19 1HA GLY 19 -5.299 0.450 -2.215
130 H GLN 20 H GLN 20 -5.486 -1.266 -0.055
131 HA GLN 20 HA GLN 20 -2.989 -0.842 1.189
132 1HB GLN 20 2HB GLN 20 -5.477 -1.235 2.122
133 2HB GLN 20 1HB GLN 20 -4.850 -2.863 2.332
134 1HG GLN 20 2HG GLN 20 -4.303 -1.999 4.351
135 2HG GLN 20 1HG GLN 20 -2.848 -1.553 3.460
136 1HE2 GLN 20 1HE2 GLN 20 -5.957 -0.376 4.610
137 2HE2 GLN 20 2HE2 GLN 20 -5.515 1.294 4.664
138 H ALA 21 H ALA 21 -4.525 -3.702 -0.185
139 HA ALA 21 HA ALA 21 -2.468 -5.532 0.556
140 1HB ALA 21 1HB ALA 21 -3.725 -7.119 -0.509
141 2HB ALA 21 2HB ALA 21 -4.195 -6.023 -1.808
142 3HB ALA 21 3HB ALA 21 -4.962 -5.894 -0.228
143 H PHE 22 H PHE 22 -3.359 -4.332 -2.688
144 HA PHE 22 HA PHE 22 -1.104 -5.254 -4.001
145 1HB PHE 22 2HB PHE 22 -3.121 -4.244 -5.121
146 2HB PHE 22 1HB PHE 22 -2.492 -2.656 -4.681
147 HD1 PHE 22 1HD PHE 22 -0.919 -5.740 -6.076
148 HD2 PHE 22 2HD PHE 22 -1.663 -1.579 -6.477
149 HE1 PHE 22 1HE PHE 22 0.539 -5.670 -8.039
150 HE2 PHE 22 2HE PHE 22 -0.220 -1.503 -8.444
151 HZ PHE 22 HZ PHE 22 0.887 -3.550 -9.246
152 H GLN 23 H GLN 23 -1.463 -2.298 -2.091
153 HA GLN 23 HA GLN 23 0.971 -1.165 -3.118
154 1HB GLN 23 2HB GLN 23 -0.949 0.195 -2.163
155 2HB GLN 23 1HB GLN 23 -0.435 -0.349 -0.572
156 1HG GLN 23 2HG GLN 23 1.867 0.588 -1.215
157 2HG GLN 23 1HG GLN 23 1.007 1.435 -2.498
158 1HE2 GLN 23 1HE2 GLN 23 1.560 1.181 0.908
159 2HE2 GLN 23 2HE2 GLN 23 0.768 2.649 1.359
160 H GLU 24 H GLU 24 0.024 -3.067 -0.350
161 HA GLU 24 HA GLU 24 2.507 -2.823 1.045
162 1HB GLU 24 2HB GLU 24 0.376 -3.390 2.175
163 2HB GLU 24 1HB GLU 24 0.326 -4.910 1.292
164 1HG GLU 24 2HG GLU 24 1.103 -5.272 3.542
165 2HG GLU 24 1HG GLU 24 2.396 -5.605 2.392
166 H ARG 25 H ARG 25 1.176 -4.858 -1.407
167 HA ARG 25 HA ARG 25 3.180 -6.904 -1.268
168 1HB ARG 25 2HB ARG 25 0.635 -6.703 -2.268
169 2HB ARG 25 1HB ARG 25 1.598 -6.619 -3.735
170 1HG ARG 25 2HG ARG 25 2.026 -8.769 -1.691
171 2HG ARG 25 1HG ARG 25 0.805 -8.910 -2.958
172 1HD ARG 25 2HD ARG 25 2.620 -9.951 -3.935
173 2HD ARG 25 1HD ARG 25 2.774 -8.306 -4.548
174 HE ARG 25 HE ARG 25 4.255 -8.374 -2.232
175 1HH1 ARG 25 1HH1 ARG 25 4.269 -10.084 -5.274
176 2HH1 ARG 25 2HH1 ARG 25 5.977 -10.366 -5.250
177 1HH2 ARG 25 1HH2 ARG 25 6.502 -8.744 -2.199
178 2HH2 ARG 25 2HH2 ARG 25 7.245 -9.606 -3.505
179 H TYR 26 H TYR 26 2.298 -4.474 -3.709
180 HA TYR 26 HA TYR 26 4.583 -4.898 -5.322
181 1HB TYR 26 2HB TYR 26 3.477 -3.626 -6.789
182 2HB TYR 26 1HB TYR 26 2.162 -3.802 -5.647
183 HD1 TYR 26 1HD TYR 26 4.845 -1.457 -6.717
184 HD2 TYR 26 2HD TYR 26 1.214 -1.962 -4.642
185 HE1 TYR 26 1HE TYR 26 4.542 0.972 -6.633
186 HE2 TYR 26 2HE TYR 26 0.859 0.446 -4.560
187 HH TYR 26 HH TYR 26 2.833 2.566 -4.701
188 H THR 27 H THR 27 3.754 -2.034 -3.318
189 HA THR 27 HA THR 27 6.139 -0.665 -3.706
190 HB THR 27 HB THR 27 4.834 -0.588 -1.025
191 HG1 THR 27 1HG THR 27 3.035 -0.670 -2.180
192 1HG2 THR 27 1HG2 THR 27 5.087 1.782 -1.207
193 2HG2 THR 27 2HG2 THR 27 5.623 1.640 -2.882
194 3HG2 THR 27 3HG2 THR 27 6.626 1.005 -1.577
195 H ALA 28 H ALA 28 5.338 -3.127 -1.326
196 HA ALA 28 HA ALA 28 7.632 -2.978 0.237
197 1HB ALA 28 1HB ALA 28 5.877 -5.328 -0.431
198 2HB ALA 28 2HB ALA 28 5.778 -4.276 0.981
199 3HB ALA 28 3HB ALA 28 7.149 -5.371 0.790
200 H GLY 29 H GLY 29 7.026 -4.898 -2.688
201 1HA GLY 29 2HA GLY 29 9.644 -6.076 -2.672
202 2HA GLY 29 1HA GLY 29 8.457 -6.185 -3.960
203 H ILE 30 H ILE 30 8.123 -3.466 -4.555
204 HA ILE 30 HA ILE 30 10.383 -3.061 -6.235
205 HB ILE 30 HB ILE 30 8.069 -2.375 -6.835
206 1HG1 ILE 30 2HG1 ILE 30 8.735 -0.177 -7.841
207 2HG1 ILE 30 1HG1 ILE 30 10.203 -0.231 -6.870
208 1HG2 ILE 30 1HG2 ILE 30 7.872 -1.285 -4.417
209 2HG2 ILE 30 2HG2 ILE 30 6.897 -0.750 -5.785
210 3HG2 ILE 30 3HG2 ILE 30 8.340 0.152 -5.324
211 1HD1 ILE 30 1HD1 ILE 30 10.846 -2.313 -8.006
212 2HD1 ILE 30 2HD1 ILE 30 10.663 -0.957 -9.118
213 3HD1 ILE 30 3HD1 ILE 30 9.402 -2.186 -9.012
214 H ASN 31 H ASN 31 9.416 -1.739 -3.123
215 HA ASN 31 HA ASN 31 11.265 0.438 -3.179
216 1HB ASN 31 2HB ASN 31 9.179 0.163 -1.678
217 2HB ASN 31 1HB ASN 31 10.226 -0.809 -0.640
218 1HD2 ASN 31 1HD2 ASN 31 10.201 0.613 1.055
219 2HD2 ASN 31 2HD2 ASN 31 10.978 2.156 1.005
220 H SER 32 H SER 32 11.321 -2.811 -1.742
221 HA SER 32 HA SER 32 13.823 -2.549 -0.487
222 1HB SER 32 2HB SER 32 13.829 -5.043 -0.451
223 2HB SER 32 1HB SER 32 12.313 -4.348 0.123
224 HG SER 32 HG SER 32 11.932 -6.054 -1.328
225 H PHE 33 H PHE 33 12.929 -3.480 -3.756
226 HA PHE 33 HA PHE 33 15.384 -4.514 -4.619
227 1HB PHE 33 2HB PHE 33 13.990 -4.871 -6.354
228 2HB PHE 33 1HB PHE 33 12.903 -3.593 -5.836
229 HD1 PHE 33 1HD PHE 33 12.810 -1.556 -6.987
230 HD2 PHE 33 2HD PHE 33 16.014 -4.239 -7.747
231 HE1 PHE 33 1HE PHE 33 13.508 -0.167 -8.881
232 HE2 PHE 33 2HE PHE 33 16.720 -2.857 -9.653
233 HZ PHE 33 HZ PHE 33 15.464 -0.819 -10.225
234 H VAL 34 H VAL 34 14.238 -1.204 -4.324
235 HA VAL 34 HA VAL 34 16.392 0.012 -5.736
236 HB VAL 34 HB VAL 34 14.813 1.425 -3.620
237 1HG1 VAL 34 1HG1 VAL 34 14.957 3.203 -5.475
238 2HG1 VAL 34 2HG1 VAL 34 16.206 2.163 -6.161
239 3HG1 VAL 34 3HG1 VAL 34 16.407 2.834 -4.543
240 1HG2 VAL 34 1HG2 VAL 34 13.274 1.898 -5.734
241 2HG2 VAL 34 2HG2 VAL 34 12.980 0.540 -4.650
242 3HG2 VAL 34 3HG2 VAL 34 13.820 0.281 -6.176
243 H SER 35 H SER 35 15.641 0.116 -2.268
244 HA SER 35 HA SER 35 18.019 1.209 -1.402
245 1HB SER 35 2HB SER 35 16.615 -0.958 0.144
246 2HB SER 35 1HB SER 35 17.485 0.444 0.766
247 HG SER 35 HG SER 35 14.895 0.239 -0.191
248 H GLY 36 H GLY 36 17.297 -2.163 -2.149
249 1HA GLY 36 2HA GLY 36 19.654 -3.322 -1.149
250 2HA GLY 36 1HA GLY 36 18.673 -3.977 -2.455
251 H VAL 37 H VAL 37 18.901 -1.979 -4.342
252 HA VAL 37 HA VAL 37 21.553 -2.499 -5.364
253 HB VAL 37 HB VAL 37 20.813 -1.302 -7.365
254 1HG1 VAL 37 1HG1 VAL 37 18.866 -2.760 -7.943
255 2HG1 VAL 37 2HG1 VAL 37 18.846 -3.299 -6.263
256 3HG1 VAL 37 3HG1 VAL 37 20.254 -3.618 -7.274
257 1HG2 VAL 37 1HG2 VAL 37 18.160 -0.856 -6.016
258 2HG2 VAL 37 2HG2 VAL 37 18.709 -0.240 -7.573
259 3HG2 VAL 37 3HG2 VAL 37 19.420 0.377 -6.082
260 H ALA 38 H ALA 38 19.872 0.106 -3.788
261 HA ALA 38 HA ALA 38 21.749 2.149 -4.560
262 1HB ALA 38 1HB ALA 38 19.606 2.963 -4.205
263 2HB ALA 38 2HB ALA 38 20.461 3.430 -2.734
264 3HB ALA 38 3HB ALA 38 19.390 2.030 -2.724
265 H SER 39 H SER 39 21.561 -0.213 -2.057
266 HA SER 39 HA SER 39 22.985 1.075 -0.015
267 1HB SER 39 2HB SER 39 21.747 -1.104 0.192
268 2HB SER 39 1HB SER 39 23.087 -1.879 -0.655
269 HG SER 39 HG SER 39 24.378 -1.551 1.047
270 H GLY 40 H GLY 40 24.052 -0.524 -2.937
271 1HA GLY 40 2HA GLY 40 26.301 0.609 -3.579
272 2HA GLY 40 1HA GLY 40 26.864 -0.200 -2.122
273 H ALA 41 H ALA 41 24.750 -1.213 -4.808
274 HA ALA 41 HA ALA 41 25.841 -3.839 -4.851
275 1HB ALA 41 1HB ALA 41 23.905 -2.320 -6.528
276 2HB ALA 41 2HB ALA 41 23.700 -3.841 -5.660
277 3HB ALA 41 3HB ALA 41 24.599 -3.804 -7.177
278 H GLY 42 H GLY 42 26.426 -0.905 -6.711
279 1HA GLY 42 2HA GLY 42 28.442 -2.311 -8.332
280 2HA GLY 42 1HA GLY 42 27.745 -0.740 -8.692
281 H SER 43 H SER 43 28.154 -0.004 -5.761
282 HA SER 43 HA SER 43 30.572 1.376 -6.087
283 1HB SER 43 2HB SER 43 28.923 2.217 -4.546
284 2HB SER 43 1HB SER 43 28.992 0.735 -3.590
285 HG SER 43 HG SER 43 30.582 1.591 -2.535
286 H ILE 44 H ILE 44 29.854 -1.435 -4.013
287 HA ILE 44 HA ILE 44 32.709 -2.158 -4.176
288 HB ILE 44 HB ILE 44 32.211 -1.260 -1.949
289 1HG1 ILE 44 2HG1 ILE 44 32.499 -4.126 -1.320
290 2HG1 ILE 44 1HG1 ILE 44 33.604 -3.521 -2.551
291 1HG2 ILE 44 1HG2 ILE 44 30.668 -2.296 -0.453
292 2HG2 ILE 44 2HG2 ILE 44 30.318 -3.576 -1.614
293 3HG2 ILE 44 3HG2 ILE 44 29.808 -1.921 -1.945
294 1HD1 ILE 44 1HD1 ILE 44 33.441 -1.756 -0.259
295 2HD1 ILE 44 2HD1 ILE 44 34.849 -2.474 -1.043
296 3HD1 ILE 44 3HD1 ILE 44 33.955 -3.386 0.174
297 H GLY 45 H GLY 45 29.447 -3.408 -3.471
298 1HA GLY 45 2HA GLY 45 28.509 -5.466 -3.869
299 2HA GLY 45 1HA GLY 45 29.521 -5.483 -5.303
300 H ARG 46 H ARG 46 31.025 -5.321 -2.180
301 HA ARG 46 HA ARG 46 32.250 -7.905 -2.656
302 1HB ARG 46 2HB ARG 46 33.553 -5.913 -1.853
303 2HB ARG 46 1HB ARG 46 32.690 -6.037 -0.326
304 1HG ARG 46 2HG ARG 46 34.240 -8.348 -1.437
305 2HG ARG 46 1HG ARG 46 35.016 -7.084 -0.482
306 1HD ARG 46 2HD ARG 46 34.375 -8.132 1.369
307 2HD ARG 46 1HD ARG 46 32.694 -7.847 0.923
308 HE ARG 46 HE ARG 46 33.712 -10.109 -0.441
309 1HH1 ARG 46 1HH1 ARG 46 32.619 -9.069 2.707
310 2HH1 ARG 46 2HH1 ARG 46 32.133 -10.657 3.201
311 1HH2 ARG 46 1HH2 ARG 46 33.074 -12.199 0.209
312 2HH2 ARG 46 2HH2 ARG 46 32.392 -12.432 1.784
313 H ARG 47 H ARG 47 30.224 -6.385 -0.174
314 HA ARG 47 HA ARG 47 30.038 -8.768 1.388
315 1HB ARG 47 2HB ARG 47 28.450 -6.200 1.479
316 2HB ARG 47 1HB ARG 47 28.267 -7.510 2.634
317 1HG ARG 47 2HG ARG 47 30.974 -6.353 2.202
318 2HG ARG 47 1HG ARG 47 29.794 -5.447 3.150
319 1HD ARG 47 2HD ARG 47 30.669 -8.285 3.680
320 2HD ARG 47 1HD ARG 47 31.223 -6.861 4.559
321 HE ARG 47 HE ARG 47 28.709 -8.227 4.867
322 1HH1 ARG 47 1HH1 ARG 47 30.411 -5.215 5.332
323 2HH1 ARG 47 2HH1 ARG 47 29.357 -4.671 6.593
324 1HH2 ARG 47 1HH2 ARG 47 27.324 -7.512 6.528
325 2HH2 ARG 47 2HH2 ARG 47 27.606 -5.974 7.273
326 HA PRO 48 HA PRO 48 25.704 -9.134 -0.588
327 1HB PRO 48 2HB PRO 48 25.014 -7.590 -2.668
328 2HB PRO 48 1HB PRO 48 24.876 -7.006 -1.004
329 1HG PRO 48 2HG PRO 48 27.033 -6.486 -3.019
330 2HG PRO 48 1HG PRO 48 26.225 -5.343 -1.931
331 1HD PRO 48 2HD PRO 48 28.661 -6.428 -1.403
332 2HD PRO 48 1HD PRO 48 27.533 -5.930 -0.140
Start of MODEL 19
1 H VAL 1 H VAL 1 -6.796 13.422 0.424
2 HA VAL 1 HA VAL 1 -6.334 12.598 -1.873
3 HB VAL 1 HB VAL 1 -8.453 13.732 -1.576
4 1HG1 VAL 1 1HG1 VAL 1 -8.498 16.266 -2.005
5 2HG1 VAL 1 2HG1 VAL 1 -7.826 15.743 -0.442
6 3HG1 VAL 1 3HG1 VAL 1 -6.735 16.233 -1.761
7 1HG2 VAL 1 1HG2 VAL 1 -6.809 14.499 -3.998
8 2HG2 VAL 1 2HG2 VAL 1 -8.115 13.298 -3.865
9 3HG2 VAL 1 3HG2 VAL 1 -8.499 15.036 -3.847
10 H ASN 2 H ASN 2 -6.145 14.186 -4.103
11 HA ASN 2 HA ASN 2 -3.915 15.932 -4.019
12 1HB ASN 2 2HB ASN 2 -3.184 13.299 -3.996
13 2HB ASN 2 1HB ASN 2 -3.222 13.643 -5.724
14 1HD2 ASN 2 1HD2 ASN 2 -0.914 13.010 -4.241
15 2HD2 ASN 2 2HD2 ASN 2 0.145 14.374 -4.292
16 H TYR 3 H TYR 3 -5.816 13.707 -5.965
17 HA TYR 3 HA TYR 3 -5.673 15.330 -8.348
18 1HB TYR 3 2HB TYR 3 -7.317 13.617 -9.208
19 2HB TYR 3 1HB TYR 3 -5.774 12.970 -8.664
20 HD1 TYR 3 1HD TYR 3 -5.815 11.071 -7.340
21 HD2 TYR 3 2HD TYR 3 -9.207 13.641 -7.313
22 HE1 TYR 3 1HE TYR 3 -7.002 9.481 -5.898
23 HE2 TYR 3 2HE TYR 3 -10.397 12.053 -5.870
24 HH TYR 3 HH TYR 3 -10.310 9.615 -5.343
25 H GLY 4 H GLY 4 -7.058 16.248 -5.705
26 1HA GLY 4 2HA GLY 4 -8.622 18.154 -6.069
27 2HA GLY 4 1HA GLY 4 -9.621 17.020 -6.964
28 H ASN 5 H ASN 5 -9.045 14.851 -5.003
29 HA ASN 5 HA ASN 5 -9.839 14.020 -3.030
30 1HB ASN 5 2HB ASN 5 -8.945 16.063 -1.911
31 2HB ASN 5 1HB ASN 5 -10.472 16.876 -2.236
32 1HD2 ASN 5 1HD2 ASN 5 -11.654 16.996 -0.478
33 2HD2 ASN 5 2HD2 ASN 5 -11.830 15.765 0.721
34 H GLY 6 H GLY 6 -11.362 13.461 -4.913
35 1HA GLY 6 2HA GLY 6 -13.642 12.724 -4.943
36 2HA GLY 6 1HA GLY 6 -14.082 14.167 -4.035
37 H VAL 7 H VAL 7 -13.327 12.867 -7.173
38 HA VAL 7 HA VAL 7 -14.665 15.131 -8.421
39 HB VAL 7 HB VAL 7 -12.294 15.782 -8.394
40 1HG1 VAL 7 1HG1 VAL 7 -10.591 14.544 -9.467
41 2HG1 VAL 7 2HG1 VAL 7 -11.754 13.419 -10.171
42 3HG1 VAL 7 3HG1 VAL 7 -11.456 13.405 -8.434
43 1HG2 VAL 7 1HG2 VAL 7 -13.614 15.171 -11.012
44 2HG2 VAL 7 2HG2 VAL 7 -12.033 15.952 -10.955
45 3HG2 VAL 7 3HG2 VAL 7 -13.424 16.721 -10.192
46 H SER 8 H SER 8 -13.027 12.011 -8.880
47 HA SER 8 HA SER 8 -15.190 10.777 -10.099
48 1HB SER 8 2HB SER 8 -14.478 12.518 -11.918
49 2HB SER 8 1HB SER 8 -13.179 11.374 -12.250
50 HG SER 8 HG SER 8 -15.643 11.271 -13.126
51 H CYS 9 H CYS 9 -14.865 8.632 -9.993
52 HA CYS 9 HA CYS 9 -12.097 7.720 -9.636
53 1HB CYS 9 2HB CYS 9 -13.164 5.655 -8.664
54 2HB CYS 9 1HB CYS 9 -13.461 7.133 -7.752
55 H SER 10 H SER 10 -15.113 6.990 -11.316
56 HA SER 10 HA SER 10 -15.577 5.924 -13.260
57 1HB SER 10 2HB SER 10 -13.813 7.522 -14.078
58 2HB SER 10 1HB SER 10 -12.643 6.212 -13.911
59 HG SER 10 HG SER 10 -13.272 5.859 -15.907
60 H LYS 11 H LYS 11 -14.021 4.463 -10.877
61 HA LYS 11 HA LYS 11 -12.977 2.165 -12.221
62 1HB LYS 11 2HB LYS 11 -13.415 2.828 -9.326
63 2HB LYS 11 1HB LYS 11 -12.863 1.240 -9.847
64 1HG LYS 11 2HG LYS 11 -10.945 2.289 -10.962
65 2HG LYS 11 1HG LYS 11 -11.480 3.861 -10.361
66 1HD LYS 11 2HD LYS 11 -11.401 2.804 -8.042
67 2HD LYS 11 1HD LYS 11 -10.487 1.498 -8.800
68 1HE LYS 11 2HE LYS 11 -8.750 2.812 -8.180
69 2HE LYS 11 1HE LYS 11 -9.094 3.559 -9.739
70 1HZ LYS 11 1HZ LYS 11 -10.227 4.520 -7.171
71 2HZ LYS 11 2HZ LYS 11 -10.296 5.291 -8.675
72 3HZ LYS 11 3HZ LYS 11 -8.817 5.145 -7.869
73 H THR 12 H THR 12 -16.027 2.962 -12.257
74 HA THR 12 HA THR 12 -17.997 1.843 -12.428
75 HB THR 12 HB THR 12 -16.597 -0.787 -12.485
76 HG1 THR 12 1HG THR 12 -16.385 1.152 -14.542
77 1HG2 THR 12 1HG2 THR 12 -18.648 0.457 -14.297
78 2HG2 THR 12 2HG2 THR 12 -18.970 -0.709 -13.014
79 3HG2 THR 12 3HG2 THR 12 -18.010 -1.185 -14.415
80 H LYS 13 H LYS 13 -16.470 1.983 -9.756
81 HA LYS 13 HA LYS 13 -18.457 0.613 -8.216
82 1HB LYS 13 2HB LYS 13 -16.500 -1.052 -8.823
83 2HB LYS 13 1HB LYS 13 -15.671 -0.213 -7.523
84 1HG LYS 13 2HG LYS 13 -17.261 -0.904 -5.928
85 2HG LYS 13 1HG LYS 13 -18.396 -1.421 -7.175
86 1HD LYS 13 2HD LYS 13 -17.486 -3.455 -7.246
87 2HD LYS 13 1HD LYS 13 -15.872 -2.782 -7.477
88 1HE LYS 13 2HE LYS 13 -15.535 -3.821 -5.483
89 2HE LYS 13 1HE LYS 13 -16.132 -2.274 -4.885
90 1HZ LYS 13 1HZ LYS 13 -18.420 -3.547 -5.151
91 2HZ LYS 13 2HZ LYS 13 -17.494 -3.647 -3.739
92 3HZ LYS 13 3HZ LYS 13 -17.422 -4.887 -4.887
93 H CYS 14 H CYS 14 -15.398 2.359 -8.302
94 HA CYS 14 HA CYS 14 -14.643 4.143 -7.137
95 1HB CYS 14 2HB CYS 14 -17.409 4.459 -7.133
96 2HB CYS 14 1HB CYS 14 -16.940 4.665 -5.445
97 H SER 15 H SER 15 -14.440 1.431 -6.177
98 HA SER 15 HA SER 15 -13.313 1.911 -3.641
99 1HB SER 15 2HB SER 15 -14.853 0.385 -2.336
100 2HB SER 15 1HB SER 15 -15.540 1.953 -2.761
101 HG SER 15 HG SER 15 -16.993 0.239 -3.187
102 H VAL 16 H VAL 16 -11.887 0.321 -3.141
103 HA VAL 16 HA VAL 16 -12.187 -2.370 -4.064
104 HB VAL 16 HB VAL 16 -11.513 -1.352 -6.176
105 1HG1 VAL 16 1HG1 VAL 16 -10.148 0.449 -4.762
106 2HG1 VAL 16 2HG1 VAL 16 -9.815 0.109 -6.459
107 3HG1 VAL 16 3HG1 VAL 16 -8.820 -0.626 -5.202
108 1HG2 VAL 16 1HG2 VAL 16 -9.573 -2.743 -6.670
109 2HG2 VAL 16 2HG2 VAL 16 -10.729 -3.616 -5.665
110 3HG2 VAL 16 3HG2 VAL 16 -9.263 -2.946 -4.945
111 H ASN 17 H ASN 17 -11.394 -3.490 -2.412
112 HA ASN 17 HA ASN 17 -9.563 -2.368 -0.534
113 1HB ASN 17 2HB ASN 17 -10.426 -5.256 -0.807
114 2HB ASN 17 1HB ASN 17 -9.718 -4.499 0.619
115 1HD2 ASN 17 1HD2 ASN 17 -11.092 -3.906 2.123
116 2HD2 ASN 17 2HD2 ASN 17 -12.764 -3.536 1.893
117 H TRP 18 H TRP 18 -9.299 -4.533 -3.273
118 HA TRP 18 HA TRP 18 -6.832 -5.695 -2.852
119 1HB TRP 18 2HB TRP 18 -8.610 -5.631 -4.933
120 2HB TRP 18 1HB TRP 18 -7.244 -4.752 -5.613
121 HD1 TRP 18 HD TRP 18 -4.764 -6.175 -5.131
122 HE1 TRP 18 1HE TRP 18 -4.350 -8.676 -5.581
123 HE3 TRP 18 3HE TRP 18 -9.609 -7.804 -5.188
124 HZ2 TRP 18 2HZ TRP 18 -5.875 -11.025 -5.921
125 HZ3 TRP 18 3HZ TRP 18 -10.045 -10.192 -5.583
126 HH2 TRP 18 HH TRP 18 -8.216 -11.769 -5.943
127 H GLY 19 H GLY 19 -7.572 -2.397 -3.790
128 1HA GLY 19 2HA GLY 19 -5.071 -1.611 -4.774
129 2HA GLY 19 1HA GLY 19 -6.242 -0.540 -4.019
130 H GLN 20 H GLN 20 -6.307 -1.601 -1.449
131 HA GLN 20 HA GLN 20 -4.056 -0.361 -0.289
132 1HB GLN 20 2HB GLN 20 -6.516 -1.123 0.620
133 2HB GLN 20 1HB GLN 20 -5.482 -2.324 1.387
134 1HG GLN 20 2HG GLN 20 -4.353 -0.746 2.638
135 2HG GLN 20 1HG GLN 20 -4.779 0.574 1.547
136 1HE2 GLN 20 1HE2 GLN 20 -5.793 -1.389 4.209
137 2HE2 GLN 20 2HE2 GLN 20 -7.201 -0.476 4.620
138 H ALA 21 H ALA 21 -4.891 -3.755 -0.832
139 HA ALA 21 HA ALA 21 -2.694 -4.887 0.525
140 1HB ALA 21 1HB ALA 21 -3.222 -6.925 -0.658
141 2HB ALA 21 2HB ALA 21 -4.191 -6.031 -1.829
142 3HB ALA 21 3HB ALA 21 -4.717 -6.141 -0.149
143 H PHE 22 H PHE 22 -3.179 -4.208 -2.939
144 HA PHE 22 HA PHE 22 -0.704 -5.110 -3.833
145 1HB PHE 22 2HB PHE 22 -2.597 -4.471 -5.332
146 2HB PHE 22 1HB PHE 22 -2.236 -2.775 -5.004
147 HD1 PHE 22 1HD PHE 22 -0.998 -1.708 -6.571
148 HD2 PHE 22 2HD PHE 22 -0.374 -5.850 -5.916
149 HE1 PHE 22 1HE PHE 22 0.812 -1.691 -8.217
150 HE2 PHE 22 2HE PHE 22 1.426 -5.852 -7.562
151 HZ PHE 22 HZ PHE 22 2.026 -3.769 -8.735
152 H GLN 23 H GLN 23 -1.510 -2.118 -2.233
153 HA GLN 23 HA GLN 23 0.804 -0.721 -3.089
154 1HB GLN 23 2HB GLN 23 -1.412 0.208 -2.071
155 2HB GLN 23 1HB GLN 23 -0.655 -0.109 -0.518
156 1HG GLN 23 2HG GLN 23 0.968 1.510 -0.829
157 2HG GLN 23 1HG GLN 23 0.772 1.515 -2.582
158 1HE2 GLN 23 1HE2 GLN 23 0.397 3.656 -2.842
159 2HE2 GLN 23 2HE2 GLN 23 -0.989 4.480 -2.220
160 H GLU 24 H GLU 24 0.033 -2.517 -0.106
161 HA GLU 24 HA GLU 24 2.617 -2.064 1.054
162 1HB GLU 24 2HB GLU 24 0.270 -2.866 2.088
163 2HB GLU 24 1HB GLU 24 1.017 -4.440 1.858
164 1HG GLU 24 2HG GLU 24 2.309 -4.177 3.636
165 2HG GLU 24 1HG GLU 24 2.856 -2.595 3.083
166 H ARG 25 H ARG 25 1.086 -4.800 -0.599
167 HA ARG 25 HA ARG 25 3.174 -6.634 -0.498
168 1HB ARG 25 2HB ARG 25 0.665 -6.594 -1.577
169 2HB ARG 25 1HB ARG 25 1.652 -6.546 -3.030
170 1HG ARG 25 2HG ARG 25 2.893 -8.521 -1.665
171 2HG ARG 25 1HG ARG 25 1.232 -8.727 -1.102
172 1HD ARG 25 2HD ARG 25 0.433 -8.943 -3.355
173 2HD ARG 25 1HD ARG 25 2.017 -8.528 -4.006
174 HE ARG 25 HE ARG 25 1.160 -11.090 -3.025
175 1HH1 ARG 25 1HH1 ARG 25 3.919 -9.043 -3.646
176 2HH1 ARG 25 2HH1 ARG 25 5.029 -10.367 -3.770
177 1HH2 ARG 25 1HH2 ARG 25 2.620 -12.831 -3.196
178 2HH2 ARG 25 2HH2 ARG 25 4.293 -12.514 -3.516
179 H TYR 26 H TYR 26 2.329 -4.497 -3.179
180 HA TYR 26 HA TYR 26 4.542 -5.068 -4.777
181 1HB TYR 26 2HB TYR 26 3.433 -3.850 -6.240
182 2HB TYR 26 1HB TYR 26 2.182 -3.844 -5.028
183 HD1 TYR 26 1HD TYR 26 3.430 -1.908 -7.419
184 HD2 TYR 26 2HD TYR 26 2.840 -1.778 -3.230
185 HE1 TYR 26 1HE TYR 26 3.251 0.532 -7.529
186 HE2 TYR 26 2HE TYR 26 2.679 0.657 -3.305
187 HH TYR 26 HH TYR 26 2.004 2.375 -5.794
188 H THR 27 H THR 27 4.175 -2.663 -2.256
189 HA THR 27 HA THR 27 6.519 -1.198 -2.926
190 HB THR 27 HB THR 27 6.453 -0.672 -0.353
191 HG1 THR 27 1HG THR 27 3.787 -1.505 -0.751
192 1HG2 THR 27 1HG2 THR 27 5.902 0.950 -2.051
193 2HG2 THR 27 2HG2 THR 27 4.769 1.041 -0.702
194 3HG2 THR 27 3HG2 THR 27 4.286 0.259 -2.207
195 H ALA 28 H ALA 28 5.848 -3.884 -0.726
196 HA ALA 28 HA ALA 28 8.326 -4.185 0.450
197 1HB ALA 28 1HB ALA 28 7.800 -6.602 0.619
198 2HB ALA 28 2HB ALA 28 6.445 -6.351 -0.480
199 3HB ALA 28 3HB ALA 28 6.455 -5.568 1.099
200 H GLY 29 H GLY 29 7.248 -5.441 -2.690
201 1HA GLY 29 2HA GLY 29 9.738 -6.685 -3.320
202 2HA GLY 29 1HA GLY 29 8.421 -6.368 -4.438
203 H ILE 30 H ILE 30 8.198 -3.712 -4.592
204 HA ILE 30 HA ILE 30 10.441 -2.980 -6.154
205 HB ILE 30 HB ILE 30 8.120 -2.149 -6.544
206 1HG1 ILE 30 2HG1 ILE 30 8.885 0.267 -6.998
207 2HG1 ILE 30 1HG1 ILE 30 10.429 -0.230 -6.312
208 1HG2 ILE 30 1HG2 ILE 30 7.756 -1.617 -4.094
209 2HG2 ILE 30 2HG2 ILE 30 7.147 -0.450 -5.267
210 3HG2 ILE 30 3HG2 ILE 30 8.648 -0.128 -4.396
211 1HD1 ILE 30 1HD1 ILE 30 10.193 -2.173 -8.072
212 2HD1 ILE 30 2HD1 ILE 30 10.832 -0.590 -8.518
213 3HD1 ILE 30 3HD1 ILE 30 9.154 -0.997 -8.875
214 H ASN 31 H ASN 31 9.306 -1.763 -2.971
215 HA ASN 31 HA ASN 31 11.267 0.145 -2.558
216 1HB ASN 31 2HB ASN 31 9.226 -0.573 -1.090
217 2HB ASN 31 1HB ASN 31 10.398 -1.613 -0.288
218 1HD2 ASN 31 1HD2 ASN 31 8.858 1.001 0.319
219 2HD2 ASN 31 2HD2 ASN 31 10.068 1.999 1.042
220 H SER 32 H SER 32 11.421 -3.354 -2.024
221 HA SER 32 HA SER 32 13.919 -3.419 -0.744
222 1HB SER 32 2HB SER 32 12.554 -5.478 -2.491
223 2HB SER 32 1HB SER 32 14.018 -5.797 -1.561
224 HG SER 32 HG SER 32 12.423 -6.402 -0.222
225 H PHE 33 H PHE 33 13.053 -3.570 -4.172
226 HA PHE 33 HA PHE 33 15.576 -4.049 -5.257
227 1HB PHE 33 2HB PHE 33 14.219 -4.074 -7.059
228 2HB PHE 33 1HB PHE 33 12.976 -3.164 -6.210
229 HD1 PHE 33 1HD PHE 33 15.444 -3.082 -8.786
230 HD2 PHE 33 2HD PHE 33 13.222 -0.624 -6.120
231 HE1 PHE 33 1HE PHE 33 15.936 -1.124 -10.188
232 HE2 PHE 33 2HE PHE 33 13.704 1.339 -7.517
233 HZ PHE 33 HZ PHE 33 15.064 1.091 -9.558
234 H VAL 34 H VAL 34 14.120 -1.093 -4.076
235 HA VAL 34 HA VAL 34 16.008 0.708 -5.188
236 HB VAL 34 HB VAL 34 14.471 1.254 -2.670
237 1HG1 VAL 34 1HG1 VAL 34 14.352 3.520 -3.810
238 2HG1 VAL 34 2HG1 VAL 34 15.555 2.892 -4.937
239 3HG1 VAL 34 3HG1 VAL 34 15.931 3.005 -3.217
240 1HG2 VAL 34 1HG2 VAL 34 13.447 1.161 -5.497
241 2HG2 VAL 34 2HG2 VAL 34 12.645 2.067 -4.216
242 3HG2 VAL 34 3HG2 VAL 34 12.816 0.317 -4.084
243 H SER 35 H SER 35 15.574 -0.318 -1.826
244 HA SER 35 HA SER 35 17.829 0.789 -0.723
245 1HB SER 35 2HB SER 35 16.900 -1.983 0.003
246 2HB SER 35 1HB SER 35 17.635 -0.771 1.051
247 HG SER 35 HG SER 35 15.193 -1.124 1.013
248 H GLY 36 H GLY 36 17.616 -2.552 -1.967
249 1HA GLY 36 2HA GLY 36 20.320 -3.201 -1.701
250 2HA GLY 36 1HA GLY 36 19.220 -3.940 -2.857
251 H VAL 37 H VAL 37 18.622 -1.942 -4.560
252 HA VAL 37 HA VAL 37 20.954 -1.776 -6.177
253 HB VAL 37 HB VAL 37 18.274 -0.398 -6.430
254 1HG1 VAL 37 1HG1 VAL 37 20.665 -0.405 -8.237
255 2HG1 VAL 37 2HG1 VAL 37 19.666 0.953 -7.720
256 3HG1 VAL 37 3HG1 VAL 37 19.034 -0.213 -8.883
257 1HG2 VAL 37 1HG2 VAL 37 18.681 -3.011 -6.616
258 2HG2 VAL 37 2HG2 VAL 37 19.176 -2.563 -8.248
259 3HG2 VAL 37 3HG2 VAL 37 17.556 -2.163 -7.678
260 H ALA 38 H ALA 38 19.766 0.165 -3.620
261 HA ALA 38 HA ALA 38 20.954 2.634 -4.505
262 1HB ALA 38 1HB ALA 38 19.014 2.778 -3.120
263 2HB ALA 38 2HB ALA 38 20.381 3.408 -2.203
264 3HB ALA 38 3HB ALA 38 19.768 1.788 -1.871
265 H SER 39 H SER 39 21.947 -0.132 -2.667
266 HA SER 39 HA SER 39 24.079 1.025 -1.232
267 1HB SER 39 2HB SER 39 22.955 -1.339 -1.037
268 2HB SER 39 1HB SER 39 24.196 -1.809 -2.197
269 HG SER 39 HG SER 39 25.641 -1.699 -0.674
270 H GLY 40 H GLY 40 23.779 -0.099 -4.521
271 1HA GLY 40 2HA GLY 40 26.671 0.277 -4.950
272 2HA GLY 40 1HA GLY 40 25.579 -0.582 -6.023
273 H ALA 41 H ALA 41 23.514 1.355 -6.137
274 HA ALA 41 HA ALA 41 24.813 3.748 -7.230
275 1HB ALA 41 1HB ALA 41 22.983 3.342 -9.168
276 2HB ALA 41 2HB ALA 41 23.416 1.674 -8.793
277 3HB ALA 41 3HB ALA 41 24.664 2.820 -9.282
278 H GLY 42 H GLY 42 21.510 2.475 -7.562
279 1HA GLY 42 2HA GLY 42 19.545 3.175 -6.554
280 2HA GLY 42 1HA GLY 42 20.479 4.263 -5.542
281 H SER 43 H SER 43 20.758 4.270 -9.025
282 HA SER 43 HA SER 43 18.893 6.448 -9.364
283 1HB SER 43 2HB SER 43 21.100 7.450 -8.494
284 2HB SER 43 1HB SER 43 21.762 7.028 -10.074
285 HG SER 43 HG SER 43 20.632 9.214 -9.598
286 H ILE 44 H ILE 44 19.039 3.854 -10.445
287 HA ILE 44 HA ILE 44 19.675 4.413 -13.281
288 HB ILE 44 HB ILE 44 19.900 1.961 -13.571
289 1HG1 ILE 44 2HG1 ILE 44 20.003 1.776 -10.564
290 2HG1 ILE 44 1HG1 ILE 44 18.521 1.469 -11.463
291 1HG2 ILE 44 1HG2 ILE 44 22.117 1.897 -12.911
292 2HG2 ILE 44 2HG2 ILE 44 21.806 2.789 -11.423
293 3HG2 ILE 44 3HG2 ILE 44 21.789 3.629 -12.973
294 1HD1 ILE 44 1HD1 ILE 44 20.421 -0.387 -10.820
295 2HD1 ILE 44 2HD1 ILE 44 20.809 0.000 -12.495
296 3HD1 ILE 44 3HD1 ILE 44 19.192 -0.562 -12.073
297 H GLY 45 H GLY 45 17.181 5.000 -11.839
298 1HA GLY 45 2HA GLY 45 15.339 3.143 -13.230
299 2HA GLY 45 1HA GLY 45 14.937 4.040 -11.774
300 H ARG 46 H ARG 46 16.581 5.284 -14.644
301 HA ARG 46 HA ARG 46 14.257 7.044 -15.103
302 1HB ARG 46 2HB ARG 46 17.148 7.615 -14.915
303 2HB ARG 46 1HB ARG 46 16.319 8.398 -16.254
304 1HG ARG 46 2HG ARG 46 14.732 9.399 -14.700
305 2HG ARG 46 1HG ARG 46 15.537 8.595 -13.352
306 1HD ARG 46 2HD ARG 46 16.959 10.292 -13.194
307 2HD ARG 46 1HD ARG 46 17.515 9.979 -14.837
308 HE ARG 46 HE ARG 46 16.423 11.868 -15.470
309 1HH1 ARG 46 1HH1 ARG 46 14.879 10.653 -12.584
310 2HH1 ARG 46 2HH1 ARG 46 13.762 11.972 -12.477
311 1HH2 ARG 46 1HH2 ARG 46 14.955 13.604 -15.328
312 2HH2 ARG 46 2HH2 ARG 46 13.805 13.647 -14.034
313 H ARG 47 H ARG 47 16.910 5.255 -16.596
314 HA ARG 47 HA ARG 47 15.277 4.778 -18.938
315 1HB ARG 47 2HB ARG 47 17.111 5.505 -20.487
316 2HB ARG 47 1HB ARG 47 16.297 6.816 -19.645
317 1HG ARG 47 2HG ARG 47 18.339 6.333 -17.944
318 2HG ARG 47 1HG ARG 47 19.085 5.902 -19.484
319 1HD ARG 47 2HD ARG 47 18.429 8.082 -20.399
320 2HD ARG 47 1HD ARG 47 17.709 8.511 -18.847
321 HE ARG 47 HE ARG 47 19.800 8.990 -18.059
322 1HH1 ARG 47 1HH1 ARG 47 20.115 7.060 -20.950
323 2HH1 ARG 47 2HH1 ARG 47 21.835 7.240 -21.032
324 1HH2 ARG 47 1HH2 ARG 47 22.063 9.228 -18.167
325 2HH2 ARG 47 2HH2 ARG 47 22.941 8.470 -19.453
326 HA PRO 48 HA PRO 48 17.665 1.046 -17.982
327 1HB PRO 48 2HB PRO 48 16.016 -0.683 -19.241
328 2HB PRO 48 1HB PRO 48 15.653 -0.027 -17.639
329 1HG PRO 48 2HG PRO 48 14.614 0.823 -20.315
330 2HG PRO 48 1HG PRO 48 13.735 0.616 -18.789
331 1HD PRO 48 2HD PRO 48 14.537 3.041 -19.720
332 2HD PRO 48 1HD PRO 48 14.390 2.671 -17.990
Start of MODEL 20
1 H VAL 1 H VAL 1 9.383 12.136 -6.310
2 HA VAL 1 HA VAL 1 7.055 11.275 -6.429
3 HB VAL 1 HB VAL 1 7.528 14.221 -6.981
4 1HG1 VAL 1 1HG1 VAL 1 4.935 13.227 -5.849
5 2HG1 VAL 1 2HG1 VAL 1 5.270 14.680 -6.820
6 3HG1 VAL 1 3HG1 VAL 1 5.171 13.086 -7.607
7 1HG2 VAL 1 1HG2 VAL 1 6.493 13.969 -4.469
8 2HG2 VAL 1 2HG2 VAL 1 7.336 12.409 -4.624
9 3HG2 VAL 1 3HG2 VAL 1 8.237 13.932 -4.823
10 H ASN 2 H ASN 2 4.958 12.132 -7.768
11 HA ASN 2 HA ASN 2 5.332 12.310 -10.578
12 1HB ASN 2 2HB ASN 2 5.768 9.923 -10.308
13 2HB ASN 2 1HB ASN 2 4.227 9.720 -9.480
14 1HD2 ASN 2 1HD2 ASN 2 3.544 8.234 -11.035
15 2HD2 ASN 2 2HD2 ASN 2 3.045 8.732 -12.611
16 H TYR 3 H TYR 3 3.552 12.722 -7.808
17 HA TYR 3 HA TYR 3 1.341 13.913 -9.220
18 1HB TYR 3 2HB TYR 3 -0.325 12.529 -7.808
19 2HB TYR 3 1HB TYR 3 0.394 11.733 -9.204
20 HD1 TYR 3 1HD TYR 3 1.187 12.227 -5.577
21 HD2 TYR 3 2HD TYR 3 1.077 9.553 -8.880
22 HE1 TYR 3 1HE TYR 3 1.966 10.408 -4.122
23 HE2 TYR 3 2HE TYR 3 1.855 7.728 -7.434
24 HH TYR 3 HH TYR 3 3.311 7.735 -5.089
25 H GLY 4 H GLY 4 -0.363 14.593 -7.324
26 1HA GLY 4 2HA GLY 4 0.869 15.106 -4.775
27 2HA GLY 4 1HA GLY 4 0.853 16.526 -5.812
28 H ASN 5 H ASN 5 -1.540 16.591 -6.978
29 HA ASN 5 HA ASN 5 -3.687 15.941 -5.182
30 1HB ASN 5 2HB ASN 5 -2.781 18.816 -5.456
31 2HB ASN 5 1HB ASN 5 -4.366 18.349 -4.847
32 1HD2 ASN 5 1HD2 ASN 5 -4.436 17.048 -2.913
33 2HD2 ASN 5 2HD2 ASN 5 -3.184 17.206 -1.732
34 H GLY 6 H GLY 6 -3.758 14.999 -7.503
35 1HA GLY 6 2HA GLY 6 -5.786 16.521 -8.933
36 2HA GLY 6 1HA GLY 6 -4.311 16.192 -9.834
37 H VAL 7 H VAL 7 -3.802 13.608 -8.715
38 HA VAL 7 HA VAL 7 -5.720 12.070 -10.271
39 HB VAL 7 HB VAL 7 -3.317 11.638 -10.554
40 1HG1 VAL 7 1HG1 VAL 7 -3.056 11.994 -7.908
41 2HG1 VAL 7 2HG1 VAL 7 -1.875 11.132 -8.895
42 3HG1 VAL 7 3HG1 VAL 7 -3.078 10.232 -7.972
43 1HG2 VAL 7 1HG2 VAL 7 -5.175 9.858 -10.735
44 2HG2 VAL 7 2HG2 VAL 7 -4.466 9.197 -9.262
45 3HG2 VAL 7 3HG2 VAL 7 -3.490 9.333 -10.724
46 H SER 8 H SER 8 -7.116 10.554 -9.442
47 HA SER 8 HA SER 8 -7.768 10.807 -6.644
48 1HB SER 8 2HB SER 8 -9.455 10.636 -8.537
49 2HB SER 8 1HB SER 8 -9.036 8.925 -8.636
50 HG SER 8 HG SER 8 -10.853 9.848 -7.142
51 H CYS 9 H CYS 9 -5.559 9.884 -6.091
52 HA CYS 9 HA CYS 9 -5.900 7.260 -5.094
53 1HB CYS 9 2HB CYS 9 -5.007 7.321 -7.742
54 2HB CYS 9 1HB CYS 9 -3.555 7.034 -6.791
55 H SER 10 H SER 10 -5.174 7.931 -3.135
56 HA SER 10 HA SER 10 -2.798 9.528 -2.898
57 1HB SER 10 2HB SER 10 -3.167 9.247 -0.437
58 2HB SER 10 1HB SER 10 -4.570 9.894 -1.285
59 HG SER 10 HG SER 10 -5.557 8.302 -0.320
60 H LYS 11 H LYS 11 -3.064 6.956 -0.591
61 HA LYS 11 HA LYS 11 -1.327 5.149 -1.946
62 1HB LYS 11 2HB LYS 11 0.582 5.360 -0.372
63 2HB LYS 11 1HB LYS 11 0.369 6.757 -1.416
64 1HG LYS 11 2HG LYS 11 -1.063 7.560 0.707
65 2HG LYS 11 1HG LYS 11 0.110 6.513 1.507
66 1HD LYS 11 2HD LYS 11 1.104 8.643 1.503
67 2HD LYS 11 1HD LYS 11 1.891 7.772 0.185
68 1HE LYS 11 2HE LYS 11 0.858 9.019 -1.439
69 2HE LYS 11 1HE LYS 11 -0.538 9.383 -0.424
70 1HZ LYS 11 1HZ LYS 11 2.072 10.711 -0.546
71 2HZ LYS 11 2HZ LYS 11 1.253 10.693 0.935
72 3HZ LYS 11 3HZ LYS 11 0.526 11.386 -0.426
73 H THR 12 H THR 12 -3.843 4.932 -0.650
74 HA THR 12 HA THR 12 -3.176 2.808 1.198
75 HB THR 12 HB THR 12 -5.301 4.451 2.344
76 HG1 THR 12 1HG THR 12 -4.261 6.248 2.567
77 1HG2 THR 12 1HG2 THR 12 -4.555 2.857 3.804
78 2HG2 THR 12 2HG2 THR 12 -3.623 4.263 4.322
79 3HG2 THR 12 3HG2 THR 12 -2.873 3.032 3.305
80 H LYS 13 H LYS 13 -6.227 4.577 0.717
81 HA LYS 13 HA LYS 13 -7.590 2.099 0.193
82 1HB LYS 13 2HB LYS 13 -8.695 4.904 0.055
83 2HB LYS 13 1HB LYS 13 -9.618 3.412 0.180
84 1HG LYS 13 2HG LYS 13 -8.334 3.065 2.390
85 2HG LYS 13 1HG LYS 13 -7.971 4.788 2.262
86 1HD LYS 13 2HD LYS 13 -10.789 4.069 1.823
87 2HD LYS 13 1HD LYS 13 -10.185 3.771 3.455
88 1HE LYS 13 2HE LYS 13 -9.946 6.387 1.973
89 2HE LYS 13 1HE LYS 13 -11.180 6.020 3.177
90 1HZ LYS 13 1HZ LYS 13 -9.210 5.522 4.699
91 2HZ LYS 13 2HZ LYS 13 -9.546 7.143 4.357
92 3HZ LYS 13 3HZ LYS 13 -8.272 6.360 3.567
93 H CYS 14 H CYS 14 -7.280 5.142 -1.653
94 HA CYS 14 HA CYS 14 -7.385 5.562 -3.883
95 1HB CYS 14 2HB CYS 14 -6.010 2.958 -3.671
96 2HB CYS 14 1HB CYS 14 -6.677 3.339 -5.253
97 H SER 15 H SER 15 -8.406 4.772 -6.017
98 HA SER 15 HA SER 15 -11.105 3.968 -5.398
99 1HB SER 15 2HB SER 15 -10.587 5.787 -7.034
100 2HB SER 15 1HB SER 15 -9.886 4.571 -8.103
101 HG SER 15 HG SER 15 -11.821 3.979 -8.676
102 H VAL 16 H VAL 16 -8.258 2.540 -6.751
103 HA VAL 16 HA VAL 16 -9.557 0.302 -7.945
104 HB VAL 16 HB VAL 16 -7.211 -0.645 -8.039
105 1HG1 VAL 16 1HG1 VAL 16 -6.627 0.656 -9.913
106 2HG1 VAL 16 2HG1 VAL 16 -7.404 2.097 -9.257
107 3HG1 VAL 16 3HG1 VAL 16 -8.386 0.744 -9.819
108 1HG2 VAL 16 1HG2 VAL 16 -5.461 0.369 -7.077
109 2HG2 VAL 16 2HG2 VAL 16 -6.664 1.214 -6.103
110 3HG2 VAL 16 3HG2 VAL 16 -6.010 1.975 -7.554
111 H ASN 17 H ASN 17 -10.624 -0.994 -6.671
112 HA ASN 17 HA ASN 17 -10.497 -1.467 -4.013
113 1HB ASN 17 2HB ASN 17 -11.014 -3.593 -6.099
114 2HB ASN 17 1HB ASN 17 -11.522 -3.661 -4.412
115 1HD2 ASN 17 1HD2 ASN 17 -12.908 -1.815 -3.699
116 2HD2 ASN 17 2HD2 ASN 17 -14.105 -1.248 -4.807
117 H TRP 18 H TRP 18 -8.348 -2.821 -6.425
118 HA TRP 18 HA TRP 18 -7.003 -4.545 -4.472
119 1HB TRP 18 2HB TRP 18 -7.391 -4.670 -7.244
120 2HB TRP 18 1HB TRP 18 -5.680 -4.284 -7.059
121 HD1 TRP 18 HD TRP 18 -4.100 -6.184 -6.231
122 HE1 TRP 18 1HE TRP 18 -4.437 -8.650 -5.587
123 HE3 TRP 18 3HE TRP 18 -9.207 -6.319 -6.187
124 HZ2 TRP 18 2HZ TRP 18 -6.582 -10.420 -5.125
125 HZ3 TRP 18 3HZ TRP 18 -10.324 -8.439 -5.632
126 HH2 TRP 18 HH TRP 18 -9.038 -10.447 -5.113
127 H GLY 19 H GLY 19 -6.930 -1.719 -3.958
128 1HA GLY 19 2HA GLY 19 -4.251 -0.829 -4.704
129 2HA GLY 19 1HA GLY 19 -5.450 0.095 -3.811
130 H GLN 20 H GLN 20 -6.040 -1.720 -1.771
131 HA GLN 20 HA GLN 20 -3.970 -1.167 0.058
132 1HB GLN 20 2HB GLN 20 -6.189 -3.208 0.320
133 2HB GLN 20 1HB GLN 20 -5.246 -2.523 1.637
134 1HG GLN 20 2HG GLN 20 -6.187 -0.262 0.565
135 2HG GLN 20 1HG GLN 20 -7.483 -1.363 0.097
136 1HE2 GLN 20 1HE2 GLN 20 -5.465 -0.731 2.953
137 2HE2 GLN 20 2HE2 GLN 20 -6.764 -0.764 4.090
138 H ALA 21 H ALA 21 -4.874 -4.108 -1.677
139 HA ALA 21 HA ALA 21 -2.891 -5.780 -0.506
140 1HB ALA 21 1HB ALA 21 -5.089 -6.233 -1.993
141 2HB ALA 21 2HB ALA 21 -3.794 -7.413 -1.785
142 3HB ALA 21 3HB ALA 21 -3.842 -6.398 -3.227
143 H PHE 22 H PHE 22 -3.096 -4.320 -3.751
144 HA PHE 22 HA PHE 22 -0.559 -5.056 -4.619
145 1HB PHE 22 2HB PHE 22 -2.338 -4.072 -6.079
146 2HB PHE 22 1HB PHE 22 -1.973 -2.489 -5.383
147 HD1 PHE 22 1HD PHE 22 -0.683 -1.161 -6.653
148 HD2 PHE 22 2HD PHE 22 -0.058 -5.351 -6.809
149 HE1 PHE 22 1HE PHE 22 1.156 -0.820 -8.218
150 HE2 PHE 22 2HE PHE 22 1.784 -5.021 -8.381
151 HZ PHE 22 HZ PHE 22 2.397 -2.749 -9.107
152 H GLN 23 H GLN 23 -1.400 -2.546 -2.356
153 HA GLN 23 HA GLN 23 1.012 -1.043 -2.871
154 1HB GLN 23 2HB GLN 23 -1.057 0.054 -2.042
155 2HB GLN 23 1HB GLN 23 -0.890 -0.820 -0.525
156 1HG GLN 23 2HG GLN 23 1.432 0.777 -1.421
157 2HG GLN 23 1HG GLN 23 0.009 1.660 -0.872
158 1HE2 GLN 23 1HE2 GLN 23 1.949 2.211 0.649
159 2HE2 GLN 23 2HE2 GLN 23 1.985 1.305 2.120
160 H GLU 24 H GLU 24 -0.166 -3.150 -0.283
161 HA GLU 24 HA GLU 24 2.185 -3.063 1.279
162 1HB GLU 24 2HB GLU 24 -0.283 -4.003 1.721
163 2HB GLU 24 1HB GLU 24 0.488 -5.513 1.263
164 1HG GLU 24 2HG GLU 24 1.588 -5.674 3.197
165 2HG GLU 24 1HG GLU 24 2.004 -3.961 3.210
166 H ARG 25 H ARG 25 1.171 -4.901 -1.474
167 HA ARG 25 HA ARG 25 3.217 -6.884 -1.349
168 1HB ARG 25 2HB ARG 25 0.832 -6.659 -2.630
169 2HB ARG 25 1HB ARG 25 1.933 -6.262 -3.941
170 1HG ARG 25 2HG ARG 25 2.635 -8.635 -2.347
171 2HG ARG 25 1HG ARG 25 1.172 -8.758 -3.326
172 1HD ARG 25 2HD ARG 25 3.132 -7.542 -4.946
173 2HD ARG 25 1HD ARG 25 3.917 -8.899 -4.140
174 HE ARG 25 HE ARG 25 1.954 -9.032 -6.207
175 1HH1 ARG 25 1HH1 ARG 25 3.181 -10.698 -3.396
176 2HH1 ARG 25 2HH1 ARG 25 2.658 -12.257 -3.937
177 1HH2 ARG 25 1HH2 ARG 25 1.268 -11.083 -6.921
178 2HH2 ARG 25 2HH2 ARG 25 1.574 -12.476 -5.938
179 H TYR 26 H TYR 26 2.660 -4.039 -3.428
180 HA TYR 26 HA TYR 26 5.193 -4.317 -4.743
181 1HB TYR 26 2HB TYR 26 4.353 -2.871 -6.239
182 2HB TYR 26 1HB TYR 26 2.853 -3.261 -5.426
183 HD1 TYR 26 1HD TYR 26 1.586 -1.652 -4.469
184 HD2 TYR 26 2HD TYR 26 5.526 -0.685 -5.565
185 HE1 TYR 26 1HE TYR 26 1.051 0.703 -4.110
186 HE2 TYR 26 2HE TYR 26 5.050 1.683 -5.169
187 HH TYR 26 HH TYR 26 2.717 2.855 -3.458
188 H THR 27 H THR 27 3.930 -1.730 -2.559
189 HA THR 27 HA THR 27 6.322 -0.304 -2.430
190 HB THR 27 HB THR 27 4.584 -0.505 -0.003
191 HG1 THR 27 1HG THR 27 3.619 1.315 -1.725
192 1HG2 THR 27 1HG2 THR 27 5.349 2.069 -1.240
193 2HG2 THR 27 2HG2 THR 27 6.627 1.122 -0.479
194 3HG2 THR 27 3HG2 THR 27 5.218 1.615 0.458
195 H ALA 28 H ALA 28 5.514 -3.336 -1.017
196 HA ALA 28 HA ALA 28 7.515 -3.237 1.040
197 1HB ALA 28 1HB ALA 28 5.756 -5.381 -0.091
198 2HB ALA 28 2HB ALA 28 5.818 -4.737 1.549
199 3HB ALA 28 3HB ALA 28 7.096 -5.807 0.974
200 H GLY 29 H GLY 29 7.252 -5.102 -1.995
201 1HA GLY 29 2HA GLY 29 9.971 -5.954 -1.939
202 2HA GLY 29 1HA GLY 29 8.876 -6.070 -3.310
203 H ILE 30 H ILE 30 8.269 -3.386 -3.701
204 HA ILE 30 HA ILE 30 10.362 -2.540 -5.325
205 HB ILE 30 HB ILE 30 8.107 -0.925 -4.124
206 1HG1 ILE 30 2HG1 ILE 30 7.422 -2.792 -5.579
207 2HG1 ILE 30 1HG1 ILE 30 7.063 -1.234 -6.315
208 1HG2 ILE 30 1HG2 ILE 30 9.945 -0.190 -6.400
209 2HG2 ILE 30 2HG2 ILE 30 9.941 0.549 -4.798
210 3HG2 ILE 30 3HG2 ILE 30 8.542 0.732 -5.857
211 1HD1 ILE 30 1HD1 ILE 30 9.447 -1.643 -7.404
212 2HD1 ILE 30 2HD1 ILE 30 7.956 -2.266 -8.109
213 3HD1 ILE 30 3HD1 ILE 30 8.979 -3.323 -7.135
214 H ASN 31 H ASN 31 9.434 -1.319 -2.087
215 HA ASN 31 HA ASN 31 11.372 0.621 -1.783
216 1HB ASN 31 2HB ASN 31 9.525 0.093 -0.149
217 2HB ASN 31 1HB ASN 31 10.508 -1.253 0.433
218 1HD2 ASN 31 1HD2 ASN 31 9.543 1.259 1.706
219 2HD2 ASN 31 2HD2 ASN 31 10.962 2.003 2.355
220 H SER 32 H SER 32 11.635 -2.819 -0.863
221 HA SER 32 HA SER 32 14.342 -2.670 -0.092
222 1HB SER 32 2HB SER 32 14.245 -5.227 -0.577
223 2HB SER 32 1HB SER 32 13.222 -4.569 0.701
224 HG SER 32 HG SER 32 11.478 -4.893 -0.498
225 H PHE 33 H PHE 33 12.799 -3.262 -3.192
226 HA PHE 33 HA PHE 33 14.982 -4.201 -4.648
227 1HB PHE 33 2HB PHE 33 13.335 -4.281 -6.168
228 2HB PHE 33 1HB PHE 33 12.336 -3.207 -5.200
229 HD1 PHE 33 1HD PHE 33 11.864 -1.029 -5.948
230 HD2 PHE 33 2HD PHE 33 15.001 -3.239 -7.776
231 HE1 PHE 33 1HE PHE 33 12.057 0.689 -7.679
232 HE2 PHE 33 2HE PHE 33 15.197 -1.517 -9.515
233 HZ PHE 33 HZ PHE 33 13.723 0.449 -9.469
234 H VAL 34 H VAL 34 14.039 -0.918 -3.798
235 HA VAL 34 HA VAL 34 15.905 0.474 -5.400
236 HB VAL 34 HB VAL 34 14.930 1.459 -2.742
237 1HG1 VAL 34 1HG1 VAL 34 15.379 3.547 -3.521
238 2HG1 VAL 34 2HG1 VAL 34 15.098 3.102 -5.205
239 3HG1 VAL 34 3HG1 VAL 34 16.599 2.632 -4.406
240 1HG2 VAL 34 1HG2 VAL 34 12.875 0.884 -3.511
241 2HG2 VAL 34 2HG2 VAL 34 13.382 0.890 -5.199
242 3HG2 VAL 34 3HG2 VAL 34 13.051 2.413 -4.375
243 H SER 35 H SER 35 16.004 -0.180 -1.924
244 HA SER 35 HA SER 35 18.587 0.735 -1.469
245 1HB SER 35 2HB SER 35 17.089 -1.511 -0.122
246 2HB SER 35 1HB SER 35 18.607 -0.842 0.477
247 HG SER 35 HG SER 35 16.327 0.758 -0.017
248 H GLY 36 H GLY 36 17.503 -2.481 -2.490
249 1HA GLY 36 2HA GLY 36 19.974 -3.795 -2.392
250 2HA GLY 36 1HA GLY 36 18.636 -4.232 -3.446
251 H VAL 37 H VAL 37 18.434 -2.047 -5.081
252 HA VAL 37 HA VAL 37 20.665 -2.463 -6.844
253 HB VAL 37 HB VAL 37 19.516 -0.955 -8.379
254 1HG1 VAL 37 1HG1 VAL 37 18.054 -2.534 -8.986
255 2HG1 VAL 37 2HG1 VAL 37 17.172 -2.441 -7.462
256 3HG1 VAL 37 3HG1 VAL 37 18.641 -3.415 -7.573
257 1HG2 VAL 37 1HG2 VAL 37 17.395 0.101 -7.797
258 2HG2 VAL 37 2HG2 VAL 37 18.696 0.682 -6.756
259 3HG2 VAL 37 3HG2 VAL 37 17.538 -0.501 -6.146
260 H ALA 38 H ALA 38 19.706 -0.071 -4.504
261 HA ALA 38 HA ALA 38 21.353 2.050 -5.464
262 1HB ALA 38 1HB ALA 38 20.742 3.202 -3.502
263 2HB ALA 38 2HB ALA 38 20.389 1.703 -2.641
264 3HB ALA 38 3HB ALA 38 19.336 2.236 -3.951
265 H SER 39 H SER 39 21.942 -0.755 -3.516
266 HA SER 39 HA SER 39 24.230 0.138 -2.126
267 1HB SER 39 2HB SER 39 23.419 -2.654 -2.970
268 2HB SER 39 1HB SER 39 24.734 -2.290 -1.852
269 HG SER 39 HG SER 39 22.801 -2.754 -0.740
270 H GLY 40 H GLY 40 23.766 -1.190 -5.338
271 1HA GLY 40 2HA GLY 40 25.903 -0.083 -6.580
272 2HA GLY 40 1HA GLY 40 26.595 -1.511 -5.825
273 H ALA 41 H ALA 41 23.551 -0.815 -7.552
274 HA ALA 41 HA ALA 41 23.336 -3.352 -8.718
275 1HB ALA 41 1HB ALA 41 21.479 -1.729 -8.521
276 2HB ALA 41 2HB ALA 41 21.641 -2.398 -10.145
277 3HB ALA 41 3HB ALA 41 22.221 -0.768 -9.802
278 H GLY 42 H GLY 42 25.046 -0.477 -9.759
279 1HA GLY 42 2HA GLY 42 25.482 -1.297 -12.444
280 2HA GLY 42 1HA GLY 42 26.369 -0.051 -11.587
281 H SER 43 H SER 43 26.906 -2.336 -9.511
282 HA SER 43 HA SER 43 29.522 -2.881 -10.311
283 1HB SER 43 2HB SER 43 27.797 -4.439 -8.372
284 2HB SER 43 1HB SER 43 29.549 -4.569 -8.509
285 HG SER 43 HG SER 43 28.345 -2.065 -8.054
286 H ILE 44 H ILE 44 26.759 -5.147 -10.276
287 HA ILE 44 HA ILE 44 27.985 -6.521 -12.572
288 HB ILE 44 HB ILE 44 28.624 -7.954 -10.827
289 1HG1 ILE 44 2HG1 ILE 44 27.425 -10.006 -11.222
290 2HG1 ILE 44 1HG1 ILE 44 26.001 -9.125 -11.760
291 1HG2 ILE 44 1HG2 ILE 44 26.830 -6.816 -9.253
292 2HG2 ILE 44 2HG2 ILE 44 27.539 -8.386 -8.884
293 3HG2 ILE 44 3HG2 ILE 44 25.940 -8.294 -9.620
294 1HD1 ILE 44 1HD1 ILE 44 28.189 -8.313 -13.365
295 2HD1 ILE 44 2HD1 ILE 44 26.746 -9.209 -13.837
296 3HD1 ILE 44 3HD1 ILE 44 28.182 -10.074 -13.288
297 H GLY 45 H GLY 45 25.017 -6.953 -10.595
298 1HA GLY 45 2HA GLY 45 22.823 -6.447 -11.262
299 2HA GLY 45 1HA GLY 45 23.399 -6.207 -12.905
300 H ARG 46 H ARG 46 24.795 -8.694 -13.107
301 HA ARG 46 HA ARG 46 24.478 -10.877 -13.670
302 1HB ARG 46 2HB ARG 46 23.334 -10.804 -11.283
303 2HB ARG 46 1HB ARG 46 21.875 -11.058 -12.228
304 1HG ARG 46 2HG ARG 46 22.524 -13.204 -11.669
305 2HG ARG 46 1HG ARG 46 23.169 -13.006 -13.300
306 1HD ARG 46 2HD ARG 46 24.947 -13.948 -12.135
307 2HD ARG 46 1HD ARG 46 25.319 -12.224 -12.122
308 HE ARG 46 HE ARG 46 23.886 -12.714 -9.818
309 1HH1 ARG 46 1HH1 ARG 46 26.894 -13.793 -11.219
310 2HH1 ARG 46 2HH1 ARG 46 27.650 -14.077 -9.687
311 1HH2 ARG 46 1HH2 ARG 46 24.877 -13.086 -7.803
312 2HH2 ARG 46 2HH2 ARG 46 26.505 -13.676 -7.746
313 H ARG 47 H ARG 47 21.169 -9.574 -13.439
314 HA ARG 47 HA ARG 47 19.456 -9.491 -14.924
315 1HB ARG 47 2HB ARG 47 21.542 -9.430 -17.104
316 2HB ARG 47 1HB ARG 47 19.908 -8.793 -17.166
317 1HG ARG 47 2HG ARG 47 22.066 -7.691 -15.378
318 2HG ARG 47 1HG ARG 47 21.696 -7.079 -16.982
319 1HD ARG 47 2HD ARG 47 19.237 -7.044 -15.888
320 2HD ARG 47 1HD ARG 47 20.222 -6.775 -14.448
321 HE ARG 47 HE ARG 47 20.666 -4.673 -15.211
322 1HH1 ARG 47 1HH1 ARG 47 19.576 -6.616 -17.897
323 2HH1 ARG 47 2HH1 ARG 47 19.605 -5.300 -19.023
324 1HH2 ARG 47 1HH2 ARG 47 20.715 -2.941 -16.695
325 2HH2 ARG 47 2HH2 ARG 47 20.253 -3.215 -18.342
326 HA PRO 48 HA PRO 48 19.932 -13.986 -16.001
327 1HB PRO 48 2HB PRO 48 17.881 -14.926 -14.530
328 2HB PRO 48 1HB PRO 48 19.482 -14.647 -13.834
329 1HG PRO 48 2HG PRO 48 17.033 -12.928 -13.706
330 2HG PRO 48 1HG PRO 48 18.187 -13.330 -12.420
331 1HD PRO 48 2HD PRO 48 18.239 -10.976 -13.801
332 2HD PRO 48 1HD PRO 48 19.688 -11.727 -13.097