NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
20620 |
2g7j   |
7063 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H MET 1 1HT MET 1 -11.661 -7.500 10.467
2 2H MET 1 2HT MET 1 -12.206 -9.100 10.563
3 3H MET 1 3HT MET 1 -11.966 -8.374 9.048
4 HA MET 1 HA MET 1 -9.858 -8.995 11.035
5 1HB MET 1 2HB MET 1 -11.119 -10.636 9.130
6 2HB MET 1 1HB MET 1 -9.592 -10.169 8.393
7 1HG MET 1 2HG MET 1 -9.905 -11.450 11.101
8 2HG MET 1 1HG MET 1 -9.433 -12.279 9.621
9 1HE MET 1 1HE MET 1 -6.120 -12.257 11.699
10 2HE MET 1 2HE MET 1 -7.272 -13.249 10.809
11 3HE MET 1 3HE MET 1 -7.763 -12.452 12.303
12 H TYR 2 H TYR 2 -7.742 -9.077 9.459
13 HA TYR 2 HA TYR 2 -7.296 -6.360 8.724
14 1HB TYR 2 2HB TYR 2 -5.650 -8.861 8.426
15 2HB TYR 2 1HB TYR 2 -5.085 -7.289 7.882
16 HD1 TYR 2 HD1 TYR 2 -6.066 -9.251 10.864
17 HD2 TYR 2 HD2 TYR 2 -4.215 -5.705 9.415
18 HE1 TYR 2 HE1 TYR 2 -5.213 -8.782 13.118
19 HE2 TYR 2 HE2 TYR 2 -3.353 -5.227 11.666
20 HH TYR 2 HH TYR 2 -3.966 -5.784 14.021
21 H LEU 3 H LEU 3 -6.709 -5.581 6.632
22 HA LEU 3 HA LEU 3 -8.512 -6.530 4.619
23 1HB LEU 3 2HB LEU 3 -6.360 -4.426 4.399
24 2HB LEU 3 1HB LEU 3 -7.677 -4.683 3.272
25 HG LEU 3 HG LEU 3 -7.879 -3.657 6.098
26 1HD1 LEU 3 1HD1 LEU 3 -8.496 -2.431 3.414
27 2HD1 LEU 3 2HD1 LEU 3 -7.160 -2.006 4.484
28 3HD1 LEU 3 3HD1 LEU 3 -8.822 -1.681 4.977
29 1HD2 LEU 3 1HD2 LEU 3 -10.292 -3.499 5.698
30 2HD2 LEU 3 2HD2 LEU 3 -9.733 -5.171 5.670
31 3HD2 LEU 3 3HD2 LEU 3 -10.086 -4.334 4.158
32 H ARG 4 H ARG 4 -8.122 -8.036 3.149
33 HA ARG 4 HA ARG 4 -5.513 -9.204 2.914
34 1HB ARG 4 2HB ARG 4 -6.535 -10.816 1.489
35 2HB ARG 4 1HB ARG 4 -7.697 -10.462 2.757
36 1HG ARG 4 2HG ARG 4 -8.821 -8.892 1.166
37 2HG ARG 4 1HG ARG 4 -7.744 -9.503 -0.092
38 1HD ARG 4 2HD ARG 4 -8.577 -11.812 0.491
39 2HD ARG 4 1HD ARG 4 -9.807 -11.026 1.480
40 HE ARG 4 HE ARG 4 -9.631 -11.029 -1.435
41 1HH1 ARG 4 1HH1 ARG 4 -11.247 -9.850 1.438
42 2HH1 ARG 4 2HH1 ARG 4 -12.702 -9.411 0.589
43 1HH2 ARG 4 1HH2 ARG 4 -11.534 -10.433 -2.558
44 2HH2 ARG 4 2HH2 ARG 4 -12.860 -9.730 -1.676
45 HA PRO 5 HA PRO 5 -3.563 -7.047 -0.359
46 1HB PRO 5 2HB PRO 5 -3.170 -9.056 -2.265
47 2HB PRO 5 1HB PRO 5 -2.086 -8.682 -0.921
48 1HG PRO 5 2HG PRO 5 -4.192 -10.787 -1.129
49 2HG PRO 5 1HG PRO 5 -2.592 -10.867 -0.368
50 1HD PRO 5 2HD PRO 5 -4.789 -10.610 1.113
51 2HD PRO 5 1HD PRO 5 -3.307 -9.724 1.535
52 H ASP 6 H ASP 6 -6.118 -9.230 -1.453
53 HA ASP 6 HA ASP 6 -6.754 -8.151 -3.923
54 1HB ASP 6 2HB ASP 6 -8.760 -9.113 -1.869
55 2HB ASP 6 1HB ASP 6 -8.980 -9.068 -3.611
56 H GLU 7 H GLU 7 -7.843 -7.166 -0.710
57 HA GLU 7 HA GLU 7 -9.693 -5.208 -1.665
58 1HB GLU 7 2HB GLU 7 -8.542 -5.667 1.092
59 2HB GLU 7 1HB GLU 7 -9.886 -4.592 0.725
60 1HG GLU 7 2HG GLU 7 -11.248 -6.428 0.026
61 2HG GLU 7 1HG GLU 7 -9.893 -7.546 0.166
62 H VAL 8 H VAL 8 -6.412 -5.150 -0.388
63 HA VAL 8 HA VAL 8 -6.117 -2.377 -0.123
64 HB VAL 8 HB VAL 8 -3.980 -4.388 -0.860
65 1HG1 VAL 8 1HG1 VAL 8 -3.756 -1.646 0.381
66 2HG1 VAL 8 2HG1 VAL 8 -3.258 -2.094 -1.251
67 3HG1 VAL 8 3HG1 VAL 8 -2.425 -2.776 0.145
68 1HG2 VAL 8 1HG2 VAL 8 -4.932 -3.428 1.836
69 2HG2 VAL 8 2HG2 VAL 8 -3.515 -4.441 1.559
70 3HG2 VAL 8 3HG2 VAL 8 -5.124 -5.049 1.169
71 H ALA 9 H ALA 9 -5.339 -4.499 -2.869
72 HA ALA 9 HA ALA 9 -4.448 -2.503 -4.624
73 1HB ALA 9 1HB ALA 9 -4.110 -4.913 -4.990
74 2HB ALA 9 2HB ALA 9 -4.822 -4.121 -6.395
75 3HB ALA 9 3HB ALA 9 -5.833 -5.091 -5.323
76 H ARG 10 H ARG 10 -7.680 -3.757 -3.964
77 HA ARG 10 HA ARG 10 -9.063 -2.535 -6.065
78 1HB ARG 10 2HB ARG 10 -9.981 -4.306 -4.589
79 2HB ARG 10 1HB ARG 10 -10.099 -3.130 -3.288
80 1HG ARG 10 2HG ARG 10 -11.652 -1.802 -4.653
81 2HG ARG 10 1HG ARG 10 -11.570 -3.036 -5.911
82 1HD ARG 10 2HD ARG 10 -12.618 -3.357 -3.105
83 2HD ARG 10 1HD ARG 10 -13.554 -3.380 -4.598
84 HE ARG 10 HE ARG 10 -11.838 -5.504 -3.570
85 1HH1 ARG 10 1HH1 ARG 10 -13.868 -4.310 -6.162
86 2HH1 ARG 10 2HH1 ARG 10 -14.145 -5.887 -6.833
87 1HH2 ARG 10 1HH2 ARG 10 -12.202 -7.578 -4.461
88 2HH2 ARG 10 2HH2 ARG 10 -13.196 -7.740 -5.871
89 H VAL 11 H VAL 11 -8.401 -1.357 -2.782
90 HA VAL 11 HA VAL 11 -9.875 1.039 -3.010
91 HB VAL 11 HB VAL 11 -7.498 0.437 -1.230
92 1HG1 VAL 11 1HG1 VAL 11 -7.867 2.847 -1.452
93 2HG1 VAL 11 2HG1 VAL 11 -8.290 2.279 0.164
94 3HG1 VAL 11 3HG1 VAL 11 -9.560 2.630 -1.009
95 1HG2 VAL 11 1HG2 VAL 11 -9.203 0.022 0.491
96 2HG2 VAL 11 2HG2 VAL 11 -9.336 -1.099 -0.863
97 3HG2 VAL 11 3HG2 VAL 11 -10.466 0.249 -0.722
98 H LEU 12 H LEU 12 -6.498 0.242 -3.672
99 HA LEU 12 HA LEU 12 -5.587 2.822 -4.252
100 1HB LEU 12 2HB LEU 12 -4.679 0.145 -5.288
101 2HB LEU 12 1HB LEU 12 -3.828 1.647 -5.603
102 HG LEU 12 HG LEU 12 -4.314 0.456 -2.869
103 1HD1 LEU 12 1HD1 LEU 12 -1.908 0.057 -2.852
104 2HD1 LEU 12 2HD1 LEU 12 -1.792 0.657 -4.506
105 3HD1 LEU 12 3HD1 LEU 12 -2.691 -0.821 -4.166
106 1HD2 LEU 12 1HD2 LEU 12 -2.725 2.881 -3.704
107 2HD2 LEU 12 2HD2 LEU 12 -2.811 2.211 -2.075
108 3HD2 LEU 12 3HD2 LEU 12 -4.252 2.899 -2.822
109 H GLU 13 H GLU 13 -7.134 0.409 -6.351
110 HA GLU 13 HA GLU 13 -6.907 1.721 -8.793
111 1HB GLU 13 2HB GLU 13 -9.294 0.154 -7.795
112 2HB GLU 13 1HB GLU 13 -8.893 0.486 -9.465
113 1HG GLU 13 2HG GLU 13 -6.873 -0.864 -9.255
114 2HG GLU 13 1HG GLU 13 -7.294 -1.212 -7.577
115 H LYS 14 H LYS 14 -9.363 1.991 -6.280
116 HA LYS 14 HA LYS 14 -11.100 3.736 -7.657
117 1HB LYS 14 2HB LYS 14 -11.225 2.282 -5.370
118 2HB LYS 14 1HB LYS 14 -11.025 3.894 -4.709
119 1HG LYS 14 2HG LYS 14 -13.364 3.369 -4.854
120 2HG LYS 14 1HG LYS 14 -12.978 4.644 -6.014
121 1HD LYS 14 2HD LYS 14 -12.975 3.068 -7.829
122 2HD LYS 14 1HD LYS 14 -13.155 1.715 -6.710
123 1HE LYS 14 2HE LYS 14 -15.173 3.917 -7.120
124 2HE LYS 14 1HE LYS 14 -15.264 2.309 -7.838
125 1HZ LYS 14 1HZ LYS 14 -16.629 2.380 -5.888
126 2HZ LYS 14 2HZ LYS 14 -15.355 2.971 -4.941
127 3HZ LYS 14 3HZ LYS 14 -15.291 1.390 -5.561
128 H ALA 15 H ALA 15 -8.302 4.265 -5.650
129 HA ALA 15 HA ALA 15 -8.826 7.042 -5.153
130 1HB ALA 15 1HB ALA 15 -6.284 5.480 -4.737
131 2HB ALA 15 2HB ALA 15 -7.593 5.642 -3.567
132 3HB ALA 15 3HB ALA 15 -6.668 7.062 -4.058
133 H GLY 16 H GLY 16 -8.085 5.688 -7.985
134 1HA GLY 16 2HA GLY 16 -7.540 6.811 -9.949
135 2HA GLY 16 1HA GLY 16 -7.073 8.201 -8.989
136 H PHE 17 H PHE 17 -5.808 4.985 -8.478
137 HA PHE 17 HA PHE 17 -3.130 5.989 -8.983
138 1HB PHE 17 2HB PHE 17 -4.263 3.558 -7.670
139 2HB PHE 17 1HB PHE 17 -2.605 3.530 -8.250
140 HD1 PHE 17 HD1 PHE 17 -4.868 5.679 -6.207
141 HD2 PHE 17 HD2 PHE 17 -0.943 4.148 -6.798
142 HE1 PHE 17 HE1 PHE 17 -4.135 6.765 -4.126
143 HE2 PHE 17 HE2 PHE 17 -0.200 5.235 -4.720
144 HZ PHE 17 HZ PHE 17 -1.798 6.546 -3.379
145 H THR 18 H THR 18 -1.603 4.324 -9.982
146 HA THR 18 HA THR 18 -2.803 2.893 -12.245
147 HB THR 18 HB THR 18 -0.748 3.631 -13.597
148 HG1 THR 18 HG1 THR 18 -0.419 5.098 -11.285
149 1HG2 THR 18 1HG2 THR 18 -2.986 4.452 -14.102
150 2HG2 THR 18 2HG2 THR 18 -1.802 5.744 -14.297
151 3HG2 THR 18 3HG2 THR 18 -2.827 5.696 -12.862
152 H VAL 19 H VAL 19 -1.105 1.328 -13.201
153 HA VAL 19 HA VAL 19 0.078 -0.017 -10.895
154 HB VAL 19 HB VAL 19 -1.382 -1.364 -12.295
155 1HG1 VAL 19 1HG1 VAL 19 0.578 -0.845 -14.522
156 2HG1 VAL 19 2HG1 VAL 19 -1.077 -0.237 -14.419
157 3HG1 VAL 19 3HG1 VAL 19 -0.782 -1.969 -14.582
158 1HG2 VAL 19 1HG2 VAL 19 0.379 -2.540 -11.162
159 2HG2 VAL 19 2HG2 VAL 19 1.515 -2.174 -12.460
160 3HG2 VAL 19 3HG2 VAL 19 0.152 -3.254 -12.759
161 H ASP 20 H ASP 20 2.187 -0.326 -10.583
162 HA ASP 20 HA ASP 20 4.034 1.030 -12.416
163 1HB ASP 20 2HB ASP 20 4.114 1.738 -10.069
164 2HB ASP 20 1HB ASP 20 4.420 0.078 -9.568
165 H VAL 21 H VAL 21 3.756 -1.989 -10.561
166 HA VAL 21 HA VAL 21 5.018 -3.431 -12.734
167 HB VAL 21 HB VAL 21 6.982 -2.822 -11.467
168 1HG1 VAL 21 1HG1 VAL 21 5.629 -4.028 -9.060
169 2HG1 VAL 21 2HG1 VAL 21 5.948 -2.314 -9.329
170 3HG1 VAL 21 3HG1 VAL 21 7.291 -3.439 -9.124
171 1HG2 VAL 21 1HG2 VAL 21 6.960 -5.058 -12.413
172 2HG2 VAL 21 2HG2 VAL 21 6.231 -5.691 -10.937
173 3HG2 VAL 21 3HG2 VAL 21 7.867 -5.032 -10.900
174 H VAL 22 H VAL 22 4.003 -5.322 -13.015
175 HA VAL 22 HA VAL 22 2.268 -6.229 -10.823
176 HB VAL 22 HB VAL 22 0.996 -5.539 -12.757
177 1HG1 VAL 22 1HG1 VAL 22 2.637 -7.531 -14.312
178 2HG1 VAL 22 2HG1 VAL 22 2.656 -5.777 -14.494
179 3HG1 VAL 22 3HG1 VAL 22 1.212 -6.694 -14.927
180 1HG2 VAL 22 1HG2 VAL 22 -0.268 -7.591 -13.193
181 2HG2 VAL 22 2HG2 VAL 22 0.142 -7.431 -11.485
182 3HG2 VAL 22 3HG2 VAL 22 1.049 -8.545 -12.509
183 H THR 23 H THR 23 2.727 -8.088 -9.881
184 HA THR 23 HA THR 23 3.894 -10.273 -11.436
185 HB THR 23 HB THR 23 5.475 -10.840 -9.603
186 HG1 THR 23 HG1 THR 23 4.670 -8.290 -8.627
187 1HG2 THR 23 1HG2 THR 23 6.317 -9.643 -11.564
188 2HG2 THR 23 2HG2 THR 23 7.170 -9.136 -10.106
189 3HG2 THR 23 3HG2 THR 23 5.923 -8.101 -10.802
190 H ASN 24 H ASN 24 3.733 -12.359 -10.203
191 HA ASN 24 HA ASN 24 1.151 -12.632 -9.021
192 1HB ASN 24 2HB ASN 24 2.338 -14.393 -10.375
193 2HB ASN 24 1HB ASN 24 3.419 -14.636 -9.008
194 1HD2 ASN 24 1HD2 ASN 24 2.807 -16.752 -8.688
195 2HD2 ASN 24 2HD2 ASN 24 1.254 -17.196 -8.074
196 H LYS 25 H LYS 25 3.936 -11.420 -7.758
197 HA LYS 25 HA LYS 25 3.443 -12.476 -5.061
198 1HB LYS 25 2HB LYS 25 5.861 -10.999 -6.109
199 2HB LYS 25 1HB LYS 25 5.679 -11.659 -4.491
200 1HG LYS 25 2HG LYS 25 5.500 -13.924 -5.494
201 2HG LYS 25 1HG LYS 25 5.844 -13.205 -7.069
202 1HD LYS 25 2HD LYS 25 7.881 -14.105 -6.123
203 2HD LYS 25 1HD LYS 25 7.980 -12.342 -6.174
204 1HE LYS 25 2HE LYS 25 7.257 -12.299 -3.796
205 2HE LYS 25 1HE LYS 25 7.346 -14.058 -3.788
206 1HZ LYS 25 1HZ LYS 25 9.720 -13.850 -4.384
207 2HZ LYS 25 2HZ LYS 25 9.346 -13.176 -2.874
208 3HZ LYS 25 3HZ LYS 25 9.593 -12.162 -4.213
209 H THR 26 H THR 26 3.038 -9.662 -6.989
210 HA THR 26 HA THR 26 2.053 -8.141 -4.796
211 HB THR 26 HB THR 26 4.520 -7.973 -4.390
212 HG1 THR 26 HG1 THR 26 2.867 -6.232 -3.938
213 1HG2 THR 26 1HG2 THR 26 4.490 -6.428 -6.986
214 2HG2 THR 26 2HG2 THR 26 5.288 -7.979 -6.707
215 3HG2 THR 26 3HG2 THR 26 5.848 -6.530 -5.869
216 H TYR 27 H TYR 27 1.039 -6.249 -5.406
217 HA TYR 27 HA TYR 27 1.048 -5.607 -8.273
218 1HB TYR 27 2HB TYR 27 -0.961 -5.026 -6.096
219 2HB TYR 27 1HB TYR 27 -0.997 -4.207 -7.650
220 HD1 TYR 27 HD1 TYR 27 -1.216 -5.666 -9.745
221 HD2 TYR 27 HD2 TYR 27 -2.032 -7.085 -5.818
222 HE1 TYR 27 HE1 TYR 27 -2.587 -7.474 -10.690
223 HE2 TYR 27 HE2 TYR 27 -3.401 -8.902 -6.753
224 HH TYR 27 HH TYR 27 -3.362 -9.756 -10.007
225 H GLY 28 H GLY 28 2.847 -4.317 -8.419
226 1HA GLY 28 2HA GLY 28 3.456 -2.224 -6.591
227 2HA GLY 28 1HA GLY 28 4.097 -2.398 -8.224
228 H TYR 29 H TYR 29 2.552 -0.274 -6.398
229 HA TYR 29 HA TYR 29 0.766 0.608 -8.560
230 1HB TYR 29 2HB TYR 29 0.159 -0.062 -5.794
231 2HB TYR 29 1HB TYR 29 -0.393 1.548 -6.230
232 HD1 TYR 29 HD1 TYR 29 -0.954 -1.994 -6.566
233 HD2 TYR 29 HD2 TYR 29 -1.935 1.802 -8.213
234 HE1 TYR 29 HE1 TYR 29 -2.879 -3.000 -7.718
235 HE2 TYR 29 HE2 TYR 29 -3.867 0.809 -9.368
236 HH TYR 29 HH TYR 29 -5.042 -2.298 -8.654
237 H ARG 30 H ARG 30 0.625 2.793 -8.936
238 HA ARG 30 HA ARG 30 2.168 4.593 -7.262
239 1HB ARG 30 2HB ARG 30 3.525 5.424 -9.058
240 2HB ARG 30 1HB ARG 30 3.797 3.699 -8.836
241 1HG ARG 30 2HG ARG 30 2.886 3.157 -10.826
242 2HG ARG 30 1HG ARG 30 1.736 4.499 -10.790
243 1HD ARG 30 2HD ARG 30 3.120 5.295 -12.348
244 2HD ARG 30 1HD ARG 30 3.968 5.902 -10.945
245 HE ARG 30 HE ARG 30 5.131 3.500 -11.314
246 1HH1 ARG 30 1HH1 ARG 30 4.496 6.164 -13.484
247 2HH1 ARG 30 2HH1 ARG 30 5.864 5.844 -14.496
248 1HH2 ARG 30 1HH2 ARG 30 6.950 3.090 -12.579
249 2HH2 ARG 30 2HH2 ARG 30 7.311 4.107 -13.948
250 H ARG 31 H ARG 31 1.600 6.719 -7.402
251 HA ARG 31 HA ARG 31 -0.178 7.532 -9.581
252 1HB ARG 31 2HB ARG 31 -1.544 7.007 -7.492
253 2HB ARG 31 1HB ARG 31 -0.726 8.363 -6.727
254 1HG ARG 31 2HG ARG 31 -1.614 9.862 -8.452
255 2HG ARG 31 1HG ARG 31 -2.453 8.498 -9.194
256 1HD ARG 31 2HD ARG 31 -4.024 9.708 -7.844
257 2HD ARG 31 1HD ARG 31 -3.682 8.171 -7.052
258 HE ARG 31 HE ARG 31 -1.945 10.177 -6.067
259 1HH1 ARG 31 1HH1 ARG 31 -5.312 9.185 -5.903
260 2HH1 ARG 31 2HH1 ARG 31 -5.560 9.866 -4.324
261 1HH2 ARG 31 1HH2 ARG 31 -2.276 11.046 -3.982
262 2HH2 ARG 31 2HH2 ARG 31 -3.833 10.890 -3.218
263 H GLY 32 H GLY 32 1.285 8.812 -10.559
264 1HA GLY 32 2HA GLY 32 2.659 10.639 -10.884
265 2HA GLY 32 1HA GLY 32 2.267 11.171 -9.251
266 H GLU 33 H GLU 33 4.058 11.351 -8.083
267 HA GLU 33 HA GLU 33 6.248 9.467 -8.536
268 1HB GLU 33 2HB GLU 33 6.138 12.050 -6.978
269 2HB GLU 33 1HB GLU 33 7.565 11.029 -7.110
270 1HG GLU 33 2HG GLU 33 7.450 11.316 -9.583
271 2HG GLU 33 1HG GLU 33 6.158 12.489 -9.331
272 H ASN 34 H ASN 34 3.594 9.250 -6.898
273 HA ASN 34 HA ASN 34 4.733 8.387 -4.345
274 1HB ASN 34 2HB ASN 34 1.839 8.442 -5.237
275 2HB ASN 34 1HB ASN 34 2.414 8.084 -3.612
276 1HD2 ASN 34 1HD2 ASN 34 1.676 10.528 -5.911
277 2HD2 ASN 34 2HD2 ASN 34 1.954 11.884 -4.874
278 H TYR 35 H TYR 35 5.392 6.360 -4.146
279 HA TYR 35 HA TYR 35 4.225 4.330 -5.933
280 1HB TYR 35 2HB TYR 35 7.041 4.454 -4.826
281 2HB TYR 35 1HB TYR 35 6.398 3.170 -5.842
282 HD1 TYR 35 HD1 TYR 35 5.768 3.700 -8.219
283 HD2 TYR 35 HD2 TYR 35 7.894 6.444 -5.762
284 HE1 TYR 35 HE1 TYR 35 6.493 4.924 -10.224
285 HE2 TYR 35 HE2 TYR 35 8.619 7.680 -7.759
286 HH TYR 35 HH TYR 35 8.940 7.286 -10.156
287 H VAL 36 H VAL 36 3.350 2.579 -5.024
288 HA VAL 36 HA VAL 36 4.240 1.744 -2.361
289 HB VAL 36 HB VAL 36 1.979 1.243 -1.612
290 1HG1 VAL 36 1HG1 VAL 36 2.211 4.114 -2.494
291 2HG1 VAL 36 2HG1 VAL 36 2.909 3.419 -1.030
292 3HG1 VAL 36 3HG1 VAL 36 1.156 3.501 -1.217
293 1HG2 VAL 36 1HG2 VAL 36 0.911 0.849 -3.760
294 2HG2 VAL 36 2HG2 VAL 36 1.036 2.564 -4.152
295 3HG2 VAL 36 3HG2 VAL 36 0.009 2.036 -2.819
296 H TYR 37 H TYR 37 3.337 -0.555 -1.914
297 HA TYR 37 HA TYR 37 3.096 -2.086 -4.405
298 1HB TYR 37 2HB TYR 37 5.088 -2.737 -2.219
299 2HB TYR 37 1HB TYR 37 4.803 -3.686 -3.670
300 HD1 TYR 37 HD1 TYR 37 6.544 -0.870 -2.233
301 HD2 TYR 37 HD2 TYR 37 5.461 -2.738 -5.899
302 HE1 TYR 37 HE1 TYR 37 8.298 0.404 -3.392
303 HE2 TYR 37 HE2 TYR 37 7.211 -1.468 -7.072
304 HH TYR 37 HH TYR 37 8.482 0.687 -6.735
305 H VAL 38 H VAL 38 1.344 -3.332 -4.213
306 HA VAL 38 HA VAL 38 0.252 -3.994 -1.622
307 HB VAL 38 HB VAL 38 -0.613 -4.992 -4.343
308 1HG1 VAL 38 1HG1 VAL 38 -2.063 -4.941 -1.699
309 2HG1 VAL 38 2HG1 VAL 38 -1.428 -6.373 -2.510
310 3HG1 VAL 38 3HG1 VAL 38 -2.749 -5.460 -3.238
311 1HG2 VAL 38 1HG2 VAL 38 -1.624 -2.645 -2.743
312 2HG2 VAL 38 2HG2 VAL 38 -2.336 -3.253 -4.240
313 3HG2 VAL 38 3HG2 VAL 38 -0.711 -2.566 -4.252
314 H ASN 39 H ASN 39 1.236 -5.520 -0.456
315 HA ASN 39 HA ASN 39 2.838 -7.574 -1.626
316 1HB ASN 39 2HB ASN 39 3.215 -6.562 0.648
317 2HB ASN 39 1HB ASN 39 1.796 -7.438 1.212
318 1HD2 ASN 39 1HD2 ASN 39 4.136 -8.666 -1.106
319 2HD2 ASN 39 2HD2 ASN 39 4.777 -9.913 -0.084
320 H ARG 40 H ARG 40 1.835 -9.065 -2.833
321 HA ARG 40 HA ARG 40 -0.839 -9.948 -2.258
322 1HB ARG 40 2HB ARG 40 0.163 -9.667 -4.562
323 2HB ARG 40 1HB ARG 40 1.114 -11.109 -4.243
324 1HG ARG 40 2HG ARG 40 -0.958 -12.394 -3.969
325 2HG ARG 40 1HG ARG 40 -1.888 -10.943 -4.353
326 1HD ARG 40 2HD ARG 40 -0.657 -10.830 -6.522
327 2HD ARG 40 1HD ARG 40 0.061 -12.393 -6.132
328 HE ARG 40 HE ARG 40 -2.551 -12.932 -5.909
329 1HH1 ARG 40 1HH1 ARG 40 -0.724 -11.304 -8.413
330 2HH1 ARG 40 2HH1 ARG 40 -1.833 -11.731 -9.678
331 1HH2 ARG 40 1HH2 ARG 40 -3.979 -13.521 -7.551
332 2HH2 ARG 40 2HH2 ARG 40 -3.696 -13.001 -9.182
333 H GLU 41 H GLU 41 2.188 -10.750 -1.135
334 HA GLU 41 HA GLU 41 1.782 -13.564 -0.712
335 1HB GLU 41 2HB GLU 41 3.732 -11.774 0.726
336 2HB GLU 41 1HB GLU 41 3.843 -13.510 0.481
337 1HG GLU 41 2HG GLU 41 4.283 -13.224 -1.846
338 2HG GLU 41 1HG GLU 41 3.954 -11.493 -1.743
339 H ALA 42 H ALA 42 0.374 -10.896 0.596
340 HA ALA 42 HA ALA 42 0.547 -11.504 3.388
341 1HB ALA 42 1HB ALA 42 0.219 -9.215 2.596
342 2HB ALA 42 2HB ALA 42 -1.082 -9.719 3.674
343 3HB ALA 42 3HB ALA 42 -1.350 -9.671 1.932
344 H ARG 43 H ARG 43 -0.106 -13.707 3.384
345 HA ARG 43 HA ARG 43 -2.722 -14.528 2.692
346 1HB ARG 43 2HB ARG 43 -0.754 -15.665 4.697
347 2HB ARG 43 1HB ARG 43 -2.234 -16.473 4.184
348 1HG ARG 43 2HG ARG 43 -1.442 -16.638 1.933
349 2HG ARG 43 1HG ARG 43 -0.037 -15.641 2.304
350 1HD ARG 43 2HD ARG 43 0.812 -17.370 3.792
351 2HD ARG 43 1HD ARG 43 -0.616 -18.358 3.477
352 HE ARG 43 HE ARG 43 0.324 -17.996 1.002
353 1HH1 ARG 43 1HH1 ARG 43 2.012 -18.874 3.951
354 2HH1 ARG 43 2HH1 ARG 43 3.183 -19.866 3.128
355 1HH2 ARG 43 1HH2 ARG 43 1.839 -19.289 -0.072
356 2HH2 ARG 43 2HH2 ARG 43 3.076 -20.113 0.826
357 H MET 44 H MET 44 -1.272 -13.137 5.550
358 HA MET 44 HA MET 44 -3.975 -12.550 6.549
359 1HB MET 44 2HB MET 44 -1.311 -12.371 7.989
360 2HB MET 44 1HB MET 44 -2.859 -11.900 8.672
361 1HG MET 44 2HG MET 44 -2.384 -14.016 9.558
362 2HG MET 44 1HG MET 44 -3.604 -14.279 8.317
363 1HE MET 44 1HE MET 44 -1.405 -17.536 8.176
364 2HE MET 44 2HE MET 44 -3.021 -16.879 8.436
365 3HE MET 44 3HE MET 44 -1.748 -16.583 9.620
366 H GLY 45 H GLY 45 -4.620 -10.419 6.530
367 1HA GLY 45 2HA GLY 45 -3.142 -8.720 4.753
368 2HA GLY 45 1HA GLY 45 -4.687 -8.356 5.497
369 H ARG 46 H ARG 46 -1.635 -9.118 7.115
370 HA ARG 46 HA ARG 46 -1.869 -6.586 8.560
371 1HB ARG 46 2HB ARG 46 -1.638 -8.676 9.865
372 2HB ARG 46 1HB ARG 46 -0.083 -8.970 9.099
373 1HG ARG 46 2HG ARG 46 0.835 -6.981 10.118
374 2HG ARG 46 1HG ARG 46 -0.736 -6.588 10.817
375 1HD ARG 46 2HD ARG 46 0.784 -7.615 12.452
376 2HD ARG 46 1HD ARG 46 -0.663 -8.585 12.187
377 HE ARG 46 HE ARG 46 0.803 -9.963 10.661
378 1HH1 ARG 46 1HH1 ARG 46 2.114 -8.150 13.363
379 2HH1 ARG 46 2HH1 ARG 46 3.466 -9.220 13.590
380 1HH2 ARG 46 1HH2 ARG 46 2.563 -11.397 10.986
381 2HH2 ARG 46 2HH2 ARG 46 3.704 -11.068 12.252
382 H THR 47 H THR 47 0.236 -8.337 6.367
383 HA THR 47 HA THR 47 2.082 -6.040 6.335
384 HB THR 47 HB THR 47 3.705 -7.575 5.259
385 HG1 THR 47 HG1 THR 47 2.487 -9.137 4.309
386 1HG2 THR 47 1HG2 THR 47 4.201 -8.940 7.231
387 2HG2 THR 47 2HG2 THR 47 2.590 -8.607 7.867
388 3HG2 THR 47 3HG2 THR 47 3.755 -7.295 7.686
389 H ALA 48 H ALA 48 -0.515 -6.242 4.952
390 HA ALA 48 HA ALA 48 -0.080 -7.051 2.250
391 1HB ALA 48 1HB ALA 48 -2.355 -6.325 1.861
392 2HB ALA 48 2HB ALA 48 -2.382 -5.505 3.423
393 3HB ALA 48 3HB ALA 48 -2.254 -7.263 3.350
394 H LEU 49 H LEU 49 -0.083 -3.921 3.897
395 HA LEU 49 HA LEU 49 0.123 -2.619 1.277
396 1HB LEU 49 2HB LEU 49 -1.621 -1.753 2.748
397 2HB LEU 49 1HB LEU 49 -0.425 -1.410 3.984
398 HG LEU 49 HG LEU 49 0.662 0.191 2.371
399 1HD1 LEU 49 1HD1 LEU 49 -0.689 0.987 0.492
400 2HD1 LEU 49 2HD1 LEU 49 -1.858 -0.298 0.798
401 3HD1 LEU 49 3HD1 LEU 49 -0.214 -0.700 0.301
402 1HD2 LEU 49 1HD2 LEU 49 -2.196 0.724 3.169
403 2HD2 LEU 49 2HD2 LEU 49 -1.022 1.953 2.696
404 3HD2 LEU 49 3HD2 LEU 49 -0.759 0.998 4.156
405 H ILE 50 H ILE 50 2.216 -2.720 0.672
406 HA ILE 50 HA ILE 50 4.213 -1.612 2.515
407 HB ILE 50 HB ILE 50 4.760 -2.574 -0.294
408 1HG1 ILE 50 2HG1 ILE 50 3.704 -4.443 0.915
409 2HG1 ILE 50 1HG1 ILE 50 5.412 -4.755 0.632
410 1HG2 ILE 50 1HG2 ILE 50 7.034 -2.922 0.653
411 2HG2 ILE 50 2HG2 ILE 50 6.469 -2.192 2.159
412 3HG2 ILE 50 3HG2 ILE 50 6.499 -1.242 0.673
413 1HD1 ILE 50 1HD1 ILE 50 4.786 -5.466 2.844
414 2HD1 ILE 50 2HD1 ILE 50 4.161 -3.860 3.213
415 3HD1 ILE 50 3HD1 ILE 50 5.889 -4.093 2.950
416 H ILE 51 H ILE 51 4.963 0.463 2.232
417 HA ILE 51 HA ILE 51 3.878 1.876 -0.097
418 HB ILE 51 HB ILE 51 4.370 3.989 1.199
419 1HG1 ILE 51 2HG1 ILE 51 4.469 2.142 3.590
420 2HG1 ILE 51 1HG1 ILE 51 5.903 2.865 2.867
421 1HG2 ILE 51 1HG2 ILE 51 2.122 3.120 0.933
422 2HG2 ILE 51 2HG2 ILE 51 2.326 3.814 2.544
423 3HG2 ILE 51 3HG2 ILE 51 2.345 2.063 2.328
424 1HD1 ILE 51 1HD1 ILE 51 3.593 4.339 4.103
425 2HD1 ILE 51 2HD1 ILE 51 4.988 5.090 3.328
426 3HD1 ILE 51 3HD1 ILE 51 5.203 4.133 4.794
427 H HIS 52 H HIS 52 6.588 2.841 1.929
428 HA HIS 52 HA HIS 52 8.714 2.267 0.217
429 1HB HIS 52 2HB HIS 52 7.558 3.794 -1.357
430 2HB HIS 52 1HB HIS 52 7.503 5.040 -0.121
431 HD1 HIS 52 HD1 HIS 52 9.779 6.212 0.469
432 HD2 HIS 52 HD2 HIS 52 9.918 3.660 -2.809
433 HE1 HIS 52 HE1 HIS 52 11.905 6.788 -0.731
434 HE2 HIS 52 HE2 HIS 52 11.843 5.397 -2.847
435 HA PRO 53 HA PRO 53 10.873 3.902 3.883
436 1HB PRO 53 2HB PRO 53 12.831 4.776 1.802
437 2HB PRO 53 1HB PRO 53 13.111 3.911 3.318
438 1HG PRO 53 2HG PRO 53 13.176 2.614 1.003
439 2HG PRO 53 1HG PRO 53 12.443 1.873 2.432
440 1HD PRO 53 2HD PRO 53 11.139 3.084 0.039
441 2HD PRO 53 1HD PRO 53 10.639 1.688 1.014
442 H ARG 54 H ARG 54 12.382 6.163 4.015
443 HA ARG 54 HA ARG 54 12.364 8.455 4.020
444 1HB ARG 54 2HB ARG 54 12.003 8.354 1.587
445 2HB ARG 54 1HB ARG 54 10.276 8.205 1.848
446 1HG ARG 54 2HG ARG 54 10.424 10.477 2.998
447 2HG ARG 54 1HG ARG 54 12.033 10.598 2.272
448 1HD ARG 54 2HD ARG 54 10.795 9.917 0.090
449 2HD ARG 54 1HD ARG 54 9.357 10.452 0.948
450 HE ARG 54 HE ARG 54 10.227 12.663 0.966
451 1HH1 ARG 54 1HH1 ARG 54 12.279 10.409 -0.740
452 2HH1 ARG 54 2HH1 ARG 54 12.954 11.607 -1.805
453 1HH2 ARG 54 1HH2 ARG 54 11.087 14.263 -0.429
454 2HH2 ARG 54 2HH2 ARG 54 12.269 13.810 -1.633
455 H LEU 55 H LEU 55 9.128 7.083 3.656
456 HA LEU 55 HA LEU 55 7.926 9.122 5.338
457 1HB LEU 55 2HB LEU 55 6.859 6.802 3.749
458 2HB LEU 55 1HB LEU 55 5.837 7.747 4.814
459 HG LEU 55 HG LEU 55 7.393 8.950 2.531
460 1HD1 LEU 55 1HD1 LEU 55 5.271 8.967 1.311
461 2HD1 LEU 55 2HD1 LEU 55 4.514 8.050 2.614
462 3HD1 LEU 55 3HD1 LEU 55 5.803 7.321 1.655
463 1HD2 LEU 55 1HD2 LEU 55 6.799 10.522 4.256
464 2HD2 LEU 55 2HD2 LEU 55 5.136 9.925 4.274
465 3HD2 LEU 55 3HD2 LEU 55 5.759 10.780 2.854
466 H LYS 56 H LYS 56 9.756 6.896 6.422
467 HA LYS 56 HA LYS 56 8.209 4.854 7.528
468 1HB LYS 56 2HB LYS 56 10.733 4.939 7.251
469 2HB LYS 56 1HB LYS 56 10.784 5.901 8.719
470 1HG LYS 56 2HG LYS 56 10.070 4.117 10.052
471 2HG LYS 56 1HG LYS 56 9.485 3.198 8.661
472 1HD LYS 56 2HD LYS 56 11.866 3.068 7.868
473 2HD LYS 56 1HD LYS 56 12.352 3.774 9.410
474 1HE LYS 56 2HE LYS 56 10.721 1.253 9.192
475 2HE LYS 56 1HE LYS 56 12.483 1.258 9.250
476 1HZ LYS 56 1HZ LYS 56 10.724 2.403 11.346
477 2HZ LYS 56 2HZ LYS 56 12.414 2.279 11.406
478 3HZ LYS 56 3HZ LYS 56 11.458 0.877 11.425
479 H ASP 57 H ASP 57 9.460 7.765 9.233
480 HA ASP 57 HA ASP 57 8.013 7.121 11.615
481 1HB ASP 57 2HB ASP 57 8.788 9.216 12.491
482 2HB ASP 57 1HB ASP 57 10.109 8.508 11.567
483 H ARG 58 H ARG 58 7.444 9.210 8.861
484 HA ARG 58 HA ARG 58 5.244 10.645 9.871
485 1HB ARG 58 2HB ARG 58 6.544 11.288 7.864
486 2HB ARG 58 1HB ARG 58 5.874 9.909 7.006
487 1HG ARG 58 2HG ARG 58 4.678 11.866 6.338
488 2HG ARG 58 1HG ARG 58 3.612 10.877 7.338
489 1HD ARG 58 2HD ARG 58 3.878 12.294 9.201
490 2HD ARG 58 1HD ARG 58 5.237 13.141 8.461
491 HE ARG 58 HE ARG 58 2.423 13.360 7.557
492 1HH1 ARG 58 1HH1 ARG 58 5.631 14.704 8.017
493 2HH1 ARG 58 2HH1 ARG 58 5.222 16.249 7.338
494 1HH2 ARG 58 1HH2 ARG 58 1.873 15.364 6.692
495 2HH2 ARG 58 2HH2 ARG 58 3.062 16.625 6.580
496 H SER 59 H SER 59 5.391 7.823 7.748
497 HA SER 59 HA SER 59 2.641 7.483 7.439
498 1HB SER 59 2HB SER 59 3.230 5.310 6.515
499 2HB SER 59 1HB SER 59 4.407 6.495 5.994
500 HG SER 59 HG SER 59 5.880 5.667 7.378
501 H SER 60 H SER 60 4.904 6.066 9.767
502 HA SER 60 HA SER 60 3.134 4.323 11.050
503 1HB SER 60 2HB SER 60 5.534 5.762 12.199
504 2HB SER 60 1HB SER 60 4.759 4.335 12.890
505 HG SER 60 HG SER 60 6.387 4.577 10.635
506 H SER 61 H SER 61 3.361 7.767 11.227
507 HA SER 61 HA SER 61 2.115 7.999 13.809
508 1HB SER 61 2HB SER 61 2.557 10.080 11.654
509 2HB SER 61 1HB SER 61 2.053 10.410 13.311
510 HG SER 61 HG SER 61 4.527 9.324 12.424
511 H LEU 62 H LEU 62 1.072 7.568 10.575
512 HA LEU 62 HA LEU 62 -1.667 8.360 11.232
513 1HB LEU 62 2HB LEU 62 -0.391 7.528 8.624
514 2HB LEU 62 1HB LEU 62 -2.100 7.870 8.814
515 HG LEU 62 HG LEU 62 0.095 9.877 9.344
516 1HD1 LEU 62 1HD1 LEU 62 0.062 9.305 6.989
517 2HD1 LEU 62 2HD1 LEU 62 -0.641 10.905 7.224
518 3HD1 LEU 62 3HD1 LEU 62 -1.687 9.515 6.936
519 1HD2 LEU 62 1HD2 LEU 62 -2.899 10.182 9.096
520 2HD2 LEU 62 2HD2 LEU 62 -1.741 11.487 9.361
521 3HD2 LEU 62 3HD2 LEU 62 -1.977 10.252 10.598
522 H ALA 63 H ALA 63 0.327 5.578 10.541
523 HA ALA 63 HA ALA 63 -1.613 3.844 11.768
524 1HB ALA 63 1HB ALA 63 -0.877 3.372 8.881
525 2HB ALA 63 2HB ALA 63 -2.457 3.889 9.468
526 3HB ALA 63 3HB ALA 63 -1.834 2.294 9.898
527 H ASP 64 H ASP 64 -0.626 2.173 12.744
528 HA ASP 64 HA ASP 64 2.199 2.238 12.976
529 1HB ASP 64 2HB ASP 64 0.217 0.178 13.973
530 2HB ASP 64 1HB ASP 64 1.902 0.290 14.474
531 HA PRO 65 HA PRO 65 3.297 -0.728 9.858
532 1HB PRO 65 2HB PRO 65 5.761 -1.301 11.256
533 2HB PRO 65 1HB PRO 65 5.525 -0.341 9.794
534 1HG PRO 65 2HG PRO 65 6.296 0.709 12.205
535 2HG PRO 65 1HG PRO 65 5.436 1.625 10.954
536 1HD PRO 65 2HD PRO 65 4.377 0.361 13.450
537 2HD PRO 65 1HD PRO 65 3.952 1.916 12.701
538 H ALA 66 H ALA 66 3.693 -2.981 9.572
539 HA ALA 66 HA ALA 66 2.728 -4.609 11.789
540 1HB ALA 66 1HB ALA 66 3.353 -5.390 8.944
541 2HB ALA 66 2HB ALA 66 1.769 -4.901 9.544
542 3HB ALA 66 3HB ALA 66 2.518 -6.380 10.142
543 H SER 67 H SER 67 5.626 -3.618 10.497
544 HA SER 67 HA SER 67 7.179 -5.436 12.078
545 1HB SER 67 2HB SER 67 6.848 -6.751 10.021
546 2HB SER 67 1HB SER 67 7.522 -5.418 9.088
547 HG SER 67 HG SER 67 9.168 -6.842 9.427
548 H ASP 68 H ASP 68 8.907 -4.389 9.590
549 HA ASP 68 HA ASP 68 9.300 -1.625 10.356
550 1HB ASP 68 2HB ASP 68 10.766 -3.038 11.902
551 2HB ASP 68 1HB ASP 68 11.663 -3.500 10.469
552 H ILE 69 H ILE 69 11.263 -4.099 8.786
553 HA ILE 69 HA ILE 69 10.896 -2.744 6.213
554 HB ILE 69 HB ILE 69 13.395 -3.329 5.798
555 1HG1 ILE 69 2HG1 ILE 69 13.372 -3.077 8.792
556 2HG1 ILE 69 1HG1 ILE 69 13.562 -4.602 7.960
557 1HG2 ILE 69 1HG2 ILE 69 14.092 -1.144 6.600
558 2HG2 ILE 69 2HG2 ILE 69 12.669 -1.055 7.640
559 3HG2 ILE 69 3HG2 ILE 69 12.479 -1.053 5.886
560 1HD1 ILE 69 1HD1 ILE 69 15.640 -3.795 6.956
561 2HD1 ILE 69 2HD1 ILE 69 15.703 -3.722 8.718
562 3HD1 ILE 69 3HD1 ILE 69 15.436 -2.249 7.783
563 H LYS 70 H LYS 70 10.575 -4.060 4.608
564 HA LYS 70 HA LYS 70 10.925 -6.962 5.015
565 1HB LYS 70 2HB LYS 70 8.563 -6.232 4.805
566 2HB LYS 70 1HB LYS 70 8.933 -5.530 3.237
567 1HG LYS 70 2HG LYS 70 9.479 -7.745 2.368
568 2HG LYS 70 1HG LYS 70 9.117 -8.453 3.942
569 1HD LYS 70 2HD LYS 70 6.807 -7.674 3.763
570 2HD LYS 70 1HD LYS 70 7.169 -6.949 2.196
571 1HE LYS 70 2HE LYS 70 6.093 -9.043 1.805
572 2HE LYS 70 1HE LYS 70 7.792 -9.217 1.373
573 1HZ LYS 70 1HZ LYS 70 6.392 -10.273 3.761
574 2HZ LYS 70 2HZ LYS 70 8.081 -10.153 3.700
575 3HZ LYS 70 3HZ LYS 70 7.261 -11.128 2.581
576 H THR 71 H THR 71 12.432 -7.886 3.777
577 HA THR 71 HA THR 71 13.822 -6.250 1.890
578 HB THR 71 HB THR 71 15.280 -8.294 1.606
579 HG1 THR 71 HG1 THR 71 14.678 -10.080 2.532
580 1HG2 THR 71 1HG2 THR 71 16.339 -7.953 3.792
581 2HG2 THR 71 2HG2 THR 71 14.875 -7.156 4.373
582 3HG2 THR 71 3HG2 THR 71 15.823 -6.423 3.079
583 H CYS 72 H CYS 72 13.233 -5.947 -0.021
584 HA CYS 72 HA CYS 72 11.169 -7.510 -1.268
585 1HB CYS 72 2HB CYS 72 12.582 -5.163 -2.477
586 2HB CYS 72 1HB CYS 72 10.919 -5.686 -2.706
587 HG CYS 72 HG CYS 72 11.299 -5.034 0.463
588 H ASP 73 H ASP 73 11.325 -8.786 -3.054
589 HA ASP 73 HA ASP 73 13.931 -8.957 -4.389
590 1HB ASP 73 2HB ASP 73 13.148 -11.014 -5.389
591 2HB ASP 73 1HB ASP 73 12.819 -11.084 -3.661
592 H HIS 74 H HIS 74 10.538 -8.188 -4.900
593 HA HIS 74 HA HIS 74 11.077 -7.461 -7.687
594 1HB HIS 74 2HB HIS 74 8.524 -7.891 -6.150
595 2HB HIS 74 1HB HIS 74 8.539 -7.140 -7.742
596 HD1 HIS 74 HD1 HIS 74 7.127 -9.848 -7.124
597 HD2 HIS 74 HD2 HIS 74 10.913 -9.443 -8.785
598 HE1 HIS 74 HE1 HIS 74 7.534 -11.979 -8.390
599 HE2 HIS 74 HE2 HIS 74 9.796 -11.675 -9.482
600 H TYR 75 H TYR 75 9.906 -6.035 -4.663
601 HA TYR 75 HA TYR 75 9.218 -3.558 -5.927
602 1HB TYR 75 2HB TYR 75 9.585 -3.393 -3.034
603 2HB TYR 75 1HB TYR 75 8.158 -3.057 -4.005
604 HD1 TYR 75 HD1 TYR 75 9.165 -4.854 -1.348
605 HD2 TYR 75 HD2 TYR 75 7.265 -5.504 -5.088
606 HE1 TYR 75 HE1 TYR 75 8.163 -6.903 -0.462
607 HE2 TYR 75 HE2 TYR 75 6.255 -7.556 -4.218
608 HH TYR 75 HH TYR 75 6.319 -8.403 -0.892
609 H GLN 76 H GLN 76 10.947 -2.516 -6.828
610 HA GLN 76 HA GLN 76 13.551 -2.641 -5.897
611 1HB GLN 76 2HB GLN 76 13.856 -0.494 -7.273
612 2HB GLN 76 1HB GLN 76 13.396 -1.969 -8.095
613 1HG GLN 76 2HG GLN 76 11.270 -0.071 -7.228
614 2HG GLN 76 1HG GLN 76 12.231 0.308 -8.648
615 1HE2 GLN 76 1HE2 GLN 76 9.404 -0.268 -8.455
616 2HE2 GLN 76 2HE2 GLN 76 9.116 -1.645 -9.464
617 H ASN 77 H ASN 77 11.275 0.092 -5.477
618 HA ASN 77 HA ASN 77 11.140 1.731 -3.941
619 1HB ASN 77 2HB ASN 77 12.715 -0.275 -2.363
620 2HB ASN 77 1HB ASN 77 12.385 1.319 -1.700
621 1HD2 ASN 77 1HD2 ASN 77 11.066 -1.754 -2.559
622 2HD2 ASN 77 2HD2 ASN 77 9.509 -1.508 -1.853
623 H PHE 78 H PHE 78 14.328 0.677 -4.802
624 HA PHE 78 HA PHE 78 16.036 1.993 -5.631
625 1HB PHE 78 2HB PHE 78 14.818 4.075 -5.618
626 2HB PHE 78 1HB PHE 78 15.023 4.218 -3.875
627 HD1 PHE 78 HD1 PHE 78 16.875 5.321 -2.996
628 HD2 PHE 78 HD2 PHE 78 16.933 4.039 -7.056
629 HE1 PHE 78 HE1 PHE 78 18.992 6.524 -3.344
630 HE2 PHE 78 HE2 PHE 78 19.049 5.243 -7.409
631 HZ PHE 78 HZ PHE 78 20.081 6.484 -5.551
632 HA PRO 79 HA PRO 79 18.285 2.749 -1.436
633 1HB PRO 79 2HB PRO 79 16.560 1.515 0.607
634 2HB PRO 79 1HB PRO 79 17.369 3.086 0.606
635 1HG PRO 79 2HG PRO 79 14.748 2.949 0.293
636 2HG PRO 79 1HG PRO 79 15.702 4.082 -0.679
637 1HD PRO 79 2HD PRO 79 14.685 1.360 -1.437
638 2HD PRO 79 1HD PRO 79 14.522 2.896 -2.319
639 H LEU 80 H LEU 80 17.309 -0.036 -2.728
640 HA LEU 80 HA LEU 80 17.848 -2.362 -1.993
641 1HB LEU 80 2HB LEU 80 18.434 -1.479 -4.251
642 2HB LEU 80 1HB LEU 80 20.005 -1.026 -3.633
643 HG LEU 80 HG LEU 80 19.727 -3.182 -5.025
644 1HD1 LEU 80 1HD1 LEU 80 21.276 -3.144 -2.445
645 2HD1 LEU 80 2HD1 LEU 80 21.804 -2.477 -3.990
646 3HD1 LEU 80 3HD1 LEU 80 21.579 -4.217 -3.812
647 1HD2 LEU 80 1HD2 LEU 80 18.902 -4.153 -2.300
648 2HD2 LEU 80 2HD2 LEU 80 19.329 -5.175 -3.673
649 3HD2 LEU 80 3HD2 LEU 80 17.903 -4.139 -3.754
650 H TYR 81 H TYR 81 18.514 -3.163 -0.137
651 HA TYR 81 HA TYR 81 20.308 -1.891 1.601
652 1HB TYR 81 2HB TYR 81 18.394 -3.583 2.060
653 2HB TYR 81 1HB TYR 81 19.621 -4.812 1.788
654 HD1 TYR 81 HD1 TYR 81 21.136 -5.400 3.504
655 HD2 TYR 81 HD2 TYR 81 18.736 -1.911 3.917
656 HE1 TYR 81 HE1 TYR 81 21.814 -5.215 5.859
657 HE2 TYR 81 HE2 TYR 81 19.415 -1.716 6.271
658 HH TYR 81 HH TYR 81 20.261 -3.159 8.072
659 H LEU 82 H LEU 82 22.376 -1.631 1.102
660 HA LEU 82 HA LEU 82 23.881 -3.633 -0.359
661 1HB LEU 82 2HB LEU 82 23.950 -0.918 -0.272
662 2HB LEU 82 1HB LEU 82 25.252 -1.296 0.836
663 HG LEU 82 HG LEU 82 26.024 -0.876 -1.475
664 1HD1 LEU 82 1HD1 LEU 82 26.469 -3.706 -0.545
665 2HD1 LEU 82 2HD1 LEU 82 27.354 -2.285 0.010
666 3HD1 LEU 82 3HD1 LEU 82 27.487 -2.806 -1.670
667 1HD2 LEU 82 1HD2 LEU 82 24.105 -1.744 -2.678
668 2HD2 LEU 82 2HD2 LEU 82 24.474 -3.377 -2.121
669 3HD2 LEU 82 3HD2 LEU 82 25.585 -2.546 -3.210
670 H GLY 83 H GLY 83 23.282 -2.832 2.917
671 1HA GLY 83 2HA GLY 83 25.830 -3.724 3.943
672 2HA GLY 83 1HA GLY 83 24.435 -3.244 4.886
673 H GLY 84 H GLY 84 25.105 -5.809 2.529
674 1HA GLY 84 2HA GLY 84 24.892 -7.890 4.476
675 2HA GLY 84 1HA GLY 84 23.415 -7.741 3.531
676 H GLU 85 H GLU 85 24.783 -10.089 3.390
677 HA GLU 85 HA GLU 85 26.678 -10.253 1.308
678 1HB GLU 85 2HB GLU 85 26.147 -12.059 2.981
679 2HB GLU 85 1HB GLU 85 24.673 -12.375 2.082
680 1HG GLU 85 2HG GLU 85 25.998 -12.914 0.099
681 2HG GLU 85 1HG GLU 85 27.475 -12.617 1.014
682 H THR 86 H THR 86 23.232 -11.135 1.252
683 HA THR 86 HA THR 86 23.127 -10.624 -1.610
684 HB THR 86 HB THR 86 20.705 -11.344 -1.332
685 HG1 THR 86 HG1 THR 86 20.057 -11.374 0.690
686 1HG2 THR 86 1HG2 THR 86 21.248 -13.725 -1.081
687 2HG2 THR 86 2HG2 THR 86 22.837 -13.292 -0.448
688 3HG2 THR 86 3HG2 THR 86 22.416 -12.902 -2.116
689 H HIS 87 H HIS 87 22.444 -8.732 -2.426
690 HA HIS 87 HA HIS 87 21.485 -6.750 -0.509
691 1HB HIS 87 2HB HIS 87 22.070 -6.204 -3.422
692 2HB HIS 87 1HB HIS 87 21.995 -5.073 -2.086
693 HD1 HIS 87 HD1 HIS 87 24.442 -6.480 -4.150
694 HD2 HIS 87 HD2 HIS 87 24.123 -5.979 -0.028
695 HE1 HIS 87 HE1 HIS 87 26.795 -6.536 -3.266
696 HE2 HIS 87 HE2 HIS 87 26.591 -6.215 -0.779
697 H GLU 88 H GLU 88 19.442 -6.792 -0.155
698 HA GLU 88 HA GLU 88 17.584 -7.113 -2.400
699 1HB GLU 88 2HB GLU 88 16.037 -7.973 -0.452
700 2HB GLU 88 1HB GLU 88 17.154 -9.060 -1.264
701 1HG GLU 88 2HG GLU 88 18.774 -8.285 0.666
702 2HG GLU 88 1HG GLU 88 17.248 -7.944 1.486
703 H HIS 89 H HIS 89 15.770 -5.844 -2.380
704 HA HIS 89 HA HIS 89 16.282 -3.225 -1.367
705 1HB HIS 89 2HB HIS 89 13.709 -4.261 -2.585
706 2HB HIS 89 1HB HIS 89 14.256 -2.590 -2.514
707 HD1 HIS 89 HD1 HIS 89 15.892 -1.807 -4.311
708 HD2 HIS 89 HD2 HIS 89 14.970 -5.846 -4.575
709 HE1 HIS 89 HE1 HIS 89 16.838 -2.570 -6.508
710 HE2 HIS 89 HE2 HIS 89 16.081 -4.959 -6.743
711 H TYR 90 H TYR 90 14.295 -2.081 -0.133
712 HA TYR 90 HA TYR 90 12.934 -4.001 1.548
713 1HB TYR 90 2HB TYR 90 13.571 -2.946 3.659
714 2HB TYR 90 1HB TYR 90 14.962 -3.618 2.824
715 HD1 TYR 90 HD1 TYR 90 13.360 -0.596 4.054
716 HD2 TYR 90 HD2 TYR 90 16.651 -2.127 1.835
717 HE1 TYR 90 HE1 TYR 90 14.521 1.547 4.306
718 HE2 TYR 90 HE2 TYR 90 17.818 0.021 2.076
719 HH TYR 90 HH TYR 90 16.702 2.485 4.226
720 H GLY 91 H GLY 91 10.977 -3.494 2.001
721 1HA GLY 91 2HA GLY 91 10.129 -0.676 1.699
722 2HA GLY 91 1HA GLY 91 9.115 -2.047 1.255
723 H ILE 92 H ILE 92 8.095 -0.216 3.013
724 HA ILE 92 HA ILE 92 8.536 -1.391 5.668
725 HB ILE 92 HB ILE 92 7.141 1.213 5.048
726 1HG1 ILE 92 2HG1 ILE 92 10.012 0.735 5.886
727 2HG1 ILE 92 1HG1 ILE 92 9.497 1.226 4.276
728 1HG2 ILE 92 1HG2 ILE 92 8.279 0.063 7.601
729 2HG2 ILE 92 2HG2 ILE 92 6.569 0.253 7.211
730 3HG2 ILE 92 3HG2 ILE 92 7.586 1.676 7.428
731 1HD1 ILE 92 1HD1 ILE 92 9.172 2.804 6.810
732 2HD1 ILE 92 2HD1 ILE 92 8.604 3.299 5.216
733 3HD1 ILE 92 3HD1 ILE 92 10.331 3.112 5.517
734 HA PRO 93 HA PRO 93 4.620 -3.419 4.932
735 1HB PRO 93 2HB PRO 93 4.651 -4.842 7.253
736 2HB PRO 93 1HB PRO 93 5.551 -5.310 5.805
737 1HG PRO 93 2HG PRO 93 6.503 -3.906 8.263
738 2HG PRO 93 1HG PRO 93 7.298 -5.180 7.320
739 1HD PRO 93 2HD PRO 93 7.971 -2.564 7.112
740 2HD PRO 93 1HD PRO 93 8.087 -3.698 5.751
741 H HIS 94 H HIS 94 2.755 -2.449 5.221
742 HA HIS 94 HA HIS 94 1.989 -1.589 7.938
743 1HB HIS 94 2HB HIS 94 1.218 -0.276 5.313
744 2HB HIS 94 1HB HIS 94 0.562 0.157 6.886
745 HD1 HIS 94 HD1 HIS 94 3.950 0.028 5.170
746 HD2 HIS 94 HD2 HIS 94 1.908 2.195 8.065
747 HE1 HIS 94 HE1 HIS 94 5.483 1.904 5.802
748 HE2 HIS 94 HE2 HIS 94 4.178 3.290 7.461
749 H GLY 95 H GLY 95 -0.565 -1.404 7.935
750 1HA GLY 95 2HA GLY 95 -2.044 -3.073 6.207
751 2HA GLY 95 1HA GLY 95 -1.555 -3.988 7.627
752 H PHE 96 H PHE 96 -4.207 -3.564 7.062
753 HA PHE 96 HA PHE 96 -5.028 -1.839 9.277
754 1HB PHE 96 2HB PHE 96 -6.068 -1.636 6.445
755 2HB PHE 96 1HB PHE 96 -6.929 -0.983 7.832
756 HD1 PHE 96 HD1 PHE 96 -4.103 -0.584 5.584
757 HD2 PHE 96 HD2 PHE 96 -6.064 0.933 9.040
758 HE1 PHE 96 HE1 PHE 96 -2.816 1.503 5.393
759 HE2 PHE 96 HE2 PHE 96 -4.782 3.023 8.855
760 HZ PHE 96 HZ PHE 96 -3.157 3.307 7.031
761 H SER 97 H SER 97 -7.633 -2.027 9.204
762 HA SER 97 HA SER 97 -8.525 -4.706 8.530
763 1HB SER 97 2HB SER 97 -9.459 -4.938 10.908
764 2HB SER 97 1HB SER 97 -7.721 -5.164 10.723
765 HG SER 97 HG SER 97 -7.602 -3.702 12.226
766 H SER 98 H SER 98 -8.914 -1.754 8.003
767 HA SER 98 HA SER 98 -11.807 -1.818 7.840
768 1HB SER 98 2HB SER 98 -10.369 0.621 8.927
769 2HB SER 98 1HB SER 98 -12.108 0.412 8.736
770 HG SER 98 HG SER 98 -10.362 -0.827 10.592
771 H ARG 99 H ARG 99 -12.186 -1.506 5.732
772 HA ARG 99 HA ARG 99 -10.199 -0.735 3.910
773 1HB ARG 99 2HB ARG 99 -13.194 -0.888 3.609
774 2HB ARG 99 1HB ARG 99 -12.090 -0.599 2.270
775 1HG ARG 99 2HG ARG 99 -10.967 -2.739 2.792
776 2HG ARG 99 1HG ARG 99 -12.190 -3.038 4.027
777 1HD ARG 99 2HD ARG 99 -12.894 -2.479 1.173
778 2HD ARG 99 1HD ARG 99 -12.541 -4.109 1.743
779 HE ARG 99 HE ARG 99 -14.791 -2.429 2.662
780 1HH1 ARG 99 1HH1 ARG 99 -13.254 -5.561 2.328
781 2HH1 ARG 99 2HH1 ARG 99 -14.733 -6.449 2.583
782 1HH2 ARG 99 1HH2 ARG 99 -16.732 -3.600 3.031
783 2HH2 ARG 99 2HH2 ARG 99 -16.698 -5.336 2.999
784 H ILE 100 H ILE 100 -12.931 1.077 5.226
785 HA ILE 100 HA ILE 100 -12.519 3.454 3.803
786 HB ILE 100 HB ILE 100 -14.549 2.944 5.155
787 1HG1 ILE 100 2HG1 ILE 100 -14.906 5.257 5.947
788 2HG1 ILE 100 1HG1 ILE 100 -13.177 5.563 5.795
789 1HG2 ILE 100 1HG2 ILE 100 -14.527 3.452 7.551
790 2HG2 ILE 100 2HG2 ILE 100 -12.781 3.692 7.471
791 3HG2 ILE 100 3HG2 ILE 100 -13.467 2.100 7.152
792 1HD1 ILE 100 1HD1 ILE 100 -15.047 4.865 3.546
793 2HD1 ILE 100 2HD1 ILE 100 -13.318 5.180 3.394
794 3HD1 ILE 100 3HD1 ILE 100 -14.406 6.467 3.911
795 H ALA 101 H ALA 101 -10.847 2.189 6.615
796 HA ALA 101 HA ALA 101 -9.617 4.644 7.385
797 1HB ALA 101 1HB ALA 101 -8.032 3.229 8.653
798 2HB ALA 101 2HB ALA 101 -8.767 1.799 7.925
799 3HB ALA 101 3HB ALA 101 -9.721 2.837 8.985
800 H LEU 102 H LEU 102 -8.730 1.987 5.244
801 HA LEU 102 HA LEU 102 -6.159 2.930 4.565
802 1HB LEU 102 2HB LEU 102 -6.927 0.663 4.036
803 2HB LEU 102 1HB LEU 102 -8.113 1.314 2.921
804 HG LEU 102 HG LEU 102 -6.326 2.139 1.465
805 1HD1 LEU 102 1HD1 LEU 102 -4.635 2.580 3.161
806 2HD1 LEU 102 2HD1 LEU 102 -3.998 1.538 1.890
807 3HD1 LEU 102 3HD1 LEU 102 -4.456 0.849 3.447
808 1HD2 LEU 102 1HD2 LEU 102 -6.005 -0.765 2.213
809 2HD2 LEU 102 2HD2 LEU 102 -5.491 -0.025 0.697
810 3HD2 LEU 102 3HD2 LEU 102 -7.207 -0.107 1.102
811 H GLU 103 H GLU 103 -9.374 3.628 3.337
812 HA GLU 103 HA GLU 103 -8.698 5.241 1.148
813 1HB GLU 103 2HB GLU 103 -11.026 4.361 2.014
814 2HB GLU 103 1HB GLU 103 -11.045 5.874 2.907
815 1HG GLU 103 2HG GLU 103 -10.841 7.142 0.864
816 2HG GLU 103 1HG GLU 103 -10.728 5.654 -0.075
817 H ARG 104 H ARG 104 -9.414 6.108 4.509
818 HA ARG 104 HA ARG 104 -8.813 8.870 4.256
819 1HB ARG 104 2HB ARG 104 -8.983 7.023 6.644
820 2HB ARG 104 1HB ARG 104 -8.694 8.752 6.788
821 1HG ARG 104 2HG ARG 104 -10.822 9.274 5.893
822 2HG ARG 104 1HG ARG 104 -11.083 7.611 5.371
823 1HD ARG 104 2HD ARG 104 -12.332 8.296 7.436
824 2HD ARG 104 1HD ARG 104 -11.333 6.856 7.601
825 HE ARG 104 HE ARG 104 -9.888 8.021 9.009
826 1HH1 ARG 104 1HH1 ARG 104 -12.443 10.111 7.822
827 2HH1 ARG 104 2HH1 ARG 104 -12.188 11.321 9.046
828 1HH2 ARG 104 1HH2 ARG 104 -9.555 9.626 10.605
829 2HH2 ARG 104 2HH2 ARG 104 -10.560 11.045 10.607
830 H TYR 105 H TYR 105 -6.857 6.047 4.839
831 HA TYR 105 HA TYR 105 -4.563 7.368 5.847
832 1HB TYR 105 2HB TYR 105 -5.019 4.883 5.935
833 2HB TYR 105 1HB TYR 105 -4.592 4.816 4.228
834 HD1 TYR 105 HD1 TYR 105 -2.357 4.481 3.616
835 HD2 TYR 105 HD2 TYR 105 -3.269 5.902 7.519
836 HE1 TYR 105 HE1 TYR 105 0.016 4.270 4.239
837 HE2 TYR 105 HE2 TYR 105 -0.900 5.703 8.151
838 HH TYR 105 HH TYR 105 1.082 4.652 7.532
839 H LEU 106 H LEU 106 -5.380 6.204 2.592
840 HA LEU 106 HA LEU 106 -3.247 7.406 1.220
841 1HB LEU 106 2HB LEU 106 -6.056 6.898 0.224
842 2HB LEU 106 1HB LEU 106 -4.650 7.194 -0.779
843 HG LEU 106 HG LEU 106 -5.029 4.799 1.022
844 1HD1 LEU 106 1HD1 LEU 106 -5.293 3.545 -1.052
845 2HD1 LEU 106 2HD1 LEU 106 -5.180 5.040 -1.980
846 3HD1 LEU 106 3HD1 LEU 106 -6.544 4.778 -0.894
847 1HD2 LEU 106 1HD2 LEU 106 -2.680 5.422 0.760
848 2HD2 LEU 106 2HD2 LEU 106 -2.874 5.434 -0.993
849 3HD2 LEU 106 3HD2 LEU 106 -3.041 3.923 -0.096
850 H ASN 107 H ASN 107 -6.351 8.604 2.265
851 HA ASN 107 HA ASN 107 -6.393 11.100 0.995
852 1HB ASN 107 2HB ASN 107 -8.276 10.047 2.257
853 2HB ASN 107 1HB ASN 107 -7.426 10.383 3.749
854 1HD2 ASN 107 1HD2 ASN 107 -9.237 11.725 1.126
855 2HD2 ASN 107 2HD2 ASN 107 -9.503 13.273 1.849
856 H GLY 108 H GLY 108 -5.298 10.256 4.254
857 1HA GLY 108 2HA GLY 108 -4.174 12.784 4.822
858 2HA GLY 108 1HA GLY 108 -3.777 11.281 5.641
859 H LEU 109 H LEU 109 -2.326 9.792 4.315
860 HA LEU 109 HA LEU 109 0.131 11.155 4.317
861 1HB LEU 109 2HB LEU 109 -0.233 8.776 4.926
862 2HB LEU 109 1HB LEU 109 -0.466 8.407 3.229
863 HG LEU 109 HG LEU 109 1.858 9.135 2.772
864 1HD1 LEU 109 1HD1 LEU 109 3.387 9.430 4.683
865 2HD1 LEU 109 2HD1 LEU 109 1.999 9.414 5.770
866 3HD1 LEU 109 3HD1 LEU 109 2.172 10.703 4.579
867 1HD2 LEU 109 1HD2 LEU 109 1.572 7.013 4.897
868 2HD2 LEU 109 2HD2 LEU 109 2.948 7.207 3.809
869 3HD2 LEU 109 3HD2 LEU 109 1.363 6.782 3.161
870 H PHE 110 H PHE 110 -1.997 10.327 1.641
871 HA PHE 110 HA PHE 110 0.120 11.211 -0.206
872 1HB PHE 110 2HB PHE 110 -2.041 9.159 -0.690
873 2HB PHE 110 1HB PHE 110 -0.931 9.751 -1.921
874 HD1 PHE 110 HD1 PHE 110 1.569 9.398 -1.512
875 HD2 PHE 110 HD2 PHE 110 -1.471 7.345 0.641
876 HE1 PHE 110 HE1 PHE 110 3.193 7.655 -0.891
877 HE2 PHE 110 HE2 PHE 110 0.146 5.597 1.270
878 HZ PHE 110 HZ PHE 110 2.483 5.753 0.505
879 H GLY 111 H GLY 111 -2.925 12.033 0.997
880 1HA GLY 111 2HA GLY 111 -3.676 13.310 -1.532
881 2HA GLY 111 1HA GLY 111 -4.781 12.932 -0.228
882 H ASP 112 H ASP 112 -4.427 14.195 1.835
883 HA ASP 112 HA ASP 112 -4.457 16.929 0.855
884 1HB ASP 112 2HB ASP 112 -6.430 15.582 2.000
885 2HB ASP 112 1HB ASP 112 -5.658 16.218 3.447
Start of MODEL 2
1 1H MET 1 1HT MET 1 -10.640 -5.843 11.171
2 2H MET 1 2HT MET 1 -11.767 -6.988 11.710
3 3H MET 1 3HT MET 1 -11.932 -6.296 10.172
4 HA MET 1 HA MET 1 -9.770 -8.096 11.084
5 1HB MET 1 2HB MET 1 -12.057 -8.454 9.142
6 2HB MET 1 1HB MET 1 -10.678 -9.544 9.215
7 1HG MET 1 2HG MET 1 -11.211 -10.061 11.542
8 2HG MET 1 1HG MET 1 -12.599 -8.977 11.462
9 1HE MET 1 1HE MET 1 -12.674 -12.058 12.389
10 2HE MET 1 2HE MET 1 -14.159 -12.600 11.605
11 3HE MET 1 3HE MET 1 -14.097 -11.019 12.385
12 H TYR 2 H TYR 2 -8.146 -8.533 9.566
13 HA TYR 2 HA TYR 2 -7.240 -6.172 8.306
14 1HB TYR 2 2HB TYR 2 -6.218 -9.006 8.250
15 2HB TYR 2 1HB TYR 2 -5.394 -7.678 7.440
16 HD1 TYR 2 HD1 TYR 2 -6.440 -8.978 10.744
17 HD2 TYR 2 HD2 TYR 2 -4.060 -6.138 8.662
18 HE1 TYR 2 HE1 TYR 2 -5.295 -8.411 12.843
19 HE2 TYR 2 HE2 TYR 2 -2.908 -5.560 10.756
20 HH TYR 2 HH TYR 2 -3.075 -5.714 13.060
21 H LEU 3 H LEU 3 -6.635 -5.907 6.078
22 HA LEU 3 HA LEU 3 -8.795 -6.855 4.357
23 1HB LEU 3 2HB LEU 3 -6.798 -4.637 3.902
24 2HB LEU 3 1HB LEU 3 -8.167 -5.012 2.876
25 HG LEU 3 HG LEU 3 -8.346 -4.024 5.723
26 1HD1 LEU 3 1HD1 LEU 3 -7.522 -2.308 4.202
27 2HD1 LEU 3 2HD1 LEU 3 -9.172 -1.952 4.709
28 3HD1 LEU 3 3HD1 LEU 3 -8.868 -2.616 3.105
29 1HD2 LEU 3 1HD2 LEU 3 -10.219 -5.469 5.108
30 2HD2 LEU 3 2HD2 LEU 3 -10.496 -4.501 3.660
31 3HD2 LEU 3 3HD2 LEU 3 -10.733 -3.788 5.255
32 H ARG 4 H ARG 4 -8.472 -8.016 2.543
33 HA ARG 4 HA ARG 4 -6.062 -9.416 2.075
34 1HB ARG 4 2HB ARG 4 -8.321 -8.858 0.142
35 2HB ARG 4 1HB ARG 4 -7.094 -10.098 -0.046
36 1HG ARG 4 2HG ARG 4 -7.960 -11.319 1.831
37 2HG ARG 4 1HG ARG 4 -9.101 -10.020 2.199
38 1HD ARG 4 2HD ARG 4 -9.060 -11.733 -0.290
39 2HD ARG 4 1HD ARG 4 -10.237 -11.817 1.021
40 HE ARG 4 HE ARG 4 -11.011 -9.607 0.366
41 1HH1 ARG 4 1HH1 ARG 4 -9.035 -11.358 -1.943
42 2HH1 ARG 4 2HH1 ARG 4 -9.531 -10.385 -3.297
43 1HH2 ARG 4 1HH2 ARG 4 -11.668 -8.329 -1.431
44 2HH2 ARG 4 2HH2 ARG 4 -11.044 -8.706 -3.008
45 HA PRO 5 HA PRO 5 -3.553 -6.513 -0.215
46 1HB PRO 5 2HB PRO 5 -2.659 -8.322 -2.154
47 2HB PRO 5 1HB PRO 5 -1.880 -8.008 -0.603
48 1HG PRO 5 2HG PRO 5 -3.725 -10.213 -1.388
49 2HG PRO 5 1HG PRO 5 -2.321 -10.251 -0.305
50 1HD PRO 5 2HD PRO 5 -4.814 -10.265 0.658
51 2HD PRO 5 1HD PRO 5 -3.519 -9.368 1.478
52 H ASP 6 H ASP 6 -5.521 -8.824 -2.023
53 HA ASP 6 HA ASP 6 -5.843 -7.376 -4.396
54 1HB ASP 6 2HB ASP 6 -6.404 -9.705 -4.299
55 2HB ASP 6 1HB ASP 6 -7.584 -9.429 -3.025
56 H GLU 7 H GLU 7 -7.718 -7.346 -1.397
57 HA GLU 7 HA GLU 7 -9.754 -5.580 -2.267
58 1HB GLU 7 2HB GLU 7 -9.733 -7.101 -0.206
59 2HB GLU 7 1HB GLU 7 -8.760 -5.863 0.570
60 1HG GLU 7 2HG GLU 7 -10.997 -5.538 1.260
61 2HG GLU 7 1HG GLU 7 -10.611 -4.245 0.127
62 H VAL 8 H VAL 8 -6.672 -5.105 -0.594
63 HA VAL 8 HA VAL 8 -6.801 -2.334 -0.209
64 HB VAL 8 HB VAL 8 -4.372 -4.073 -0.702
65 1HG1 VAL 8 1HG1 VAL 8 -3.083 -2.298 0.391
66 2HG1 VAL 8 2HG1 VAL 8 -4.532 -1.297 0.467
67 3HG1 VAL 8 3HG1 VAL 8 -3.841 -1.728 -1.097
68 1HG2 VAL 8 1HG2 VAL 8 -5.657 -3.138 1.861
69 2HG2 VAL 8 2HG2 VAL 8 -4.147 -4.043 1.744
70 3HG2 VAL 8 3HG2 VAL 8 -5.663 -4.785 1.228
71 H ALA 9 H ALA 9 -5.646 -4.254 -2.946
72 HA ALA 9 HA ALA 9 -4.602 -2.220 -4.529
73 1HB ALA 9 1HB ALA 9 -4.338 -4.622 -4.996
74 2HB ALA 9 2HB ALA 9 -4.897 -3.723 -6.409
75 3HB ALA 9 3HB ALA 9 -6.034 -4.700 -5.479
76 H ARG 10 H ARG 10 -7.941 -3.383 -4.233
77 HA ARG 10 HA ARG 10 -9.107 -1.788 -6.224
78 1HB ARG 10 2HB ARG 10 -10.188 -2.898 -3.647
79 2HB ARG 10 1HB ARG 10 -11.184 -1.913 -4.708
80 1HG ARG 10 2HG ARG 10 -10.824 -3.516 -6.519
81 2HG ARG 10 1HG ARG 10 -9.846 -4.506 -5.435
82 1HD ARG 10 2HD ARG 10 -11.744 -4.846 -3.977
83 2HD ARG 10 1HD ARG 10 -12.734 -3.773 -4.965
84 HE ARG 10 HE ARG 10 -13.073 -5.492 -6.435
85 1HH1 ARG 10 1HH1 ARG 10 -10.403 -6.285 -4.336
86 2HH1 ARG 10 2HH1 ARG 10 -10.235 -7.912 -4.930
87 1HH2 ARG 10 1HH2 ARG 10 -12.893 -7.638 -7.222
88 2HH2 ARG 10 2HH2 ARG 10 -11.686 -8.696 -6.542
89 H VAL 11 H VAL 11 -8.652 -1.086 -2.760
90 HA VAL 11 HA VAL 11 -9.904 1.446 -2.855
91 HB VAL 11 HB VAL 11 -7.875 0.419 -0.863
92 1HG1 VAL 11 1HG1 VAL 11 -8.803 2.121 0.648
93 2HG1 VAL 11 2HG1 VAL 11 -9.804 2.736 -0.666
94 3HG1 VAL 11 3HG1 VAL 11 -8.048 2.852 -0.767
95 1HG2 VAL 11 1HG2 VAL 11 -9.853 -0.080 0.507
96 2HG2 VAL 11 2HG2 VAL 11 -9.858 -0.984 -1.008
97 3HG2 VAL 11 3HG2 VAL 11 -10.890 0.437 -0.824
98 H LEU 12 H LEU 12 -6.553 0.459 -3.349
99 HA LEU 12 HA LEU 12 -5.402 3.008 -3.475
100 1HB LEU 12 2HB LEU 12 -4.699 0.503 -5.000
101 2HB LEU 12 1HB LEU 12 -3.707 1.948 -4.970
102 HG LEU 12 HG LEU 12 -4.390 0.240 -2.575
103 1HD1 LEU 12 1HD1 LEU 12 -2.854 -0.877 -4.070
104 2HD1 LEU 12 2HD1 LEU 12 -1.998 -0.327 -2.629
105 3HD1 LEU 12 3HD1 LEU 12 -1.838 0.562 -4.143
106 1HD2 LEU 12 1HD2 LEU 12 -4.119 2.606 -1.995
107 2HD2 LEU 12 2HD2 LEU 12 -2.557 2.628 -2.812
108 3HD2 LEU 12 3HD2 LEU 12 -2.787 1.630 -1.375
109 H GLU 13 H GLU 13 -6.801 1.020 -6.078
110 HA GLU 13 HA GLU 13 -6.455 2.887 -8.141
111 1HB GLU 13 2HB GLU 13 -7.061 0.448 -8.378
112 2HB GLU 13 1HB GLU 13 -8.706 0.885 -7.934
113 1HG GLU 13 2HG GLU 13 -7.764 2.584 -10.045
114 2HG GLU 13 1HG GLU 13 -7.557 0.887 -10.481
115 H LYS 14 H LYS 14 -8.989 2.500 -5.746
116 HA LYS 14 HA LYS 14 -10.883 4.314 -6.705
117 1HB LYS 14 2HB LYS 14 -10.099 3.594 -3.875
118 2HB LYS 14 1HB LYS 14 -11.495 4.579 -4.264
119 1HG LYS 14 2HG LYS 14 -12.475 2.737 -5.504
120 2HG LYS 14 1HG LYS 14 -11.048 1.751 -5.186
121 1HD LYS 14 2HD LYS 14 -12.463 1.006 -3.542
122 2HD LYS 14 1HD LYS 14 -11.608 2.284 -2.682
123 1HE LYS 14 2HE LYS 14 -14.236 2.717 -4.081
124 2HE LYS 14 1HE LYS 14 -14.126 2.207 -2.401
125 1HZ LYS 14 1HZ LYS 14 -13.019 4.730 -3.523
126 2HZ LYS 14 2HZ LYS 14 -12.923 4.241 -1.898
127 3HZ LYS 14 3HZ LYS 14 -14.430 4.584 -2.592
128 H ALA 15 H ALA 15 -7.999 4.830 -4.739
129 HA ALA 15 HA ALA 15 -8.415 7.660 -4.490
130 1HB ALA 15 1HB ALA 15 -6.259 7.688 -3.388
131 2HB ALA 15 2HB ALA 15 -5.932 6.043 -3.941
132 3HB ALA 15 3HB ALA 15 -7.228 6.344 -2.782
133 H GLY 16 H GLY 16 -7.678 5.918 -7.126
134 1HA GLY 16 2HA GLY 16 -7.203 6.864 -9.215
135 2HA GLY 16 1HA GLY 16 -6.507 8.258 -8.404
136 H PHE 17 H PHE 17 -5.460 5.196 -7.277
137 HA PHE 17 HA PHE 17 -2.799 5.715 -8.262
138 1HB PHE 17 2HB PHE 17 -4.013 3.680 -6.431
139 2HB PHE 17 1HB PHE 17 -2.408 3.423 -7.091
140 HD1 PHE 17 HD1 PHE 17 -4.445 5.724 -5.039
141 HD2 PHE 17 HD2 PHE 17 -0.531 4.508 -6.178
142 HE1 PHE 17 HE1 PHE 17 -3.490 7.114 -3.242
143 HE2 PHE 17 HE2 PHE 17 0.432 5.897 -4.386
144 HZ PHE 17 HZ PHE 17 -1.054 7.201 -2.918
145 H THR 18 H THR 18 -1.584 4.352 -9.595
146 HA THR 18 HA THR 18 -3.151 2.469 -11.232
147 HB THR 18 HB THR 18 -1.459 3.002 -13.058
148 HG1 THR 18 HG1 THR 18 -0.425 4.497 -11.100
149 1HG2 THR 18 1HG2 THR 18 -2.638 5.012 -13.789
150 2HG2 THR 18 2HG2 THR 18 -3.271 5.245 -12.159
151 3HG2 THR 18 3HG2 THR 18 -3.766 3.840 -13.104
152 H VAL 19 H VAL 19 -1.721 0.800 -12.321
153 HA VAL 19 HA VAL 19 -0.117 -0.439 -10.275
154 HB VAL 19 HB VAL 19 -1.634 -1.775 -11.678
155 1HG1 VAL 19 1HG1 VAL 19 -1.069 -2.294 -13.994
156 2HG1 VAL 19 2HG1 VAL 19 0.258 -1.136 -13.932
157 3HG1 VAL 19 3HG1 VAL 19 -1.408 -0.577 -13.778
158 1HG2 VAL 19 1HG2 VAL 19 1.270 -2.519 -11.994
159 2HG2 VAL 19 2HG2 VAL 19 -0.097 -3.619 -12.182
160 3HG2 VAL 19 3HG2 VAL 19 0.237 -2.886 -10.612
161 H ASP 20 H ASP 20 2.041 -0.793 -10.251
162 HA ASP 20 HA ASP 20 3.690 0.753 -12.128
163 1HB ASP 20 2HB ASP 20 4.104 1.227 -9.776
164 2HB ASP 20 1HB ASP 20 4.326 -0.484 -9.436
165 H VAL 21 H VAL 21 4.155 -2.275 -10.330
166 HA VAL 21 HA VAL 21 4.830 -3.611 -12.846
167 HB VAL 21 HB VAL 21 6.957 -3.083 -11.864
168 1HG1 VAL 21 1HG1 VAL 21 6.299 -2.682 -9.572
169 2HG1 VAL 21 2HG1 VAL 21 7.614 -3.858 -9.627
170 3HG1 VAL 21 3HG1 VAL 21 5.958 -4.397 -9.340
171 1HG2 VAL 21 1HG2 VAL 21 6.242 -5.974 -11.424
172 2HG2 VAL 21 2HG2 VAL 21 7.888 -5.341 -11.512
173 3HG2 VAL 21 3HG2 VAL 21 6.825 -5.241 -12.919
174 H VAL 22 H VAL 22 3.342 -5.128 -13.108
175 HA VAL 22 HA VAL 22 2.115 -6.373 -10.794
176 HB VAL 22 HB VAL 22 0.645 -5.758 -12.623
177 1HG1 VAL 22 1HG1 VAL 22 2.199 -7.711 -14.312
178 2HG1 VAL 22 2HG1 VAL 22 2.192 -5.957 -14.492
179 3HG1 VAL 22 3HG1 VAL 22 0.719 -6.880 -14.793
180 1HG2 VAL 22 1HG2 VAL 22 0.892 -8.749 -12.341
181 2HG2 VAL 22 2HG2 VAL 22 -0.529 -7.885 -12.926
182 3HG2 VAL 22 3HG2 VAL 22 0.011 -7.666 -11.262
183 H THR 23 H THR 23 2.755 -8.174 -9.913
184 HA THR 23 HA THR 23 4.159 -10.190 -11.509
185 HB THR 23 HB THR 23 5.698 -10.575 -9.536
186 HG1 THR 23 HG1 THR 23 4.359 -8.271 -8.694
187 1HG2 THR 23 1HG2 THR 23 7.259 -8.789 -10.150
188 2HG2 THR 23 2HG2 THR 23 5.952 -7.922 -10.954
189 3HG2 THR 23 3HG2 THR 23 6.490 -9.481 -11.577
190 H ASN 24 H ASN 24 4.210 -12.331 -10.342
191 HA ASN 24 HA ASN 24 1.522 -12.772 -9.372
192 1HB ASN 24 2HB ASN 24 2.146 -15.196 -9.457
193 2HB ASN 24 1HB ASN 24 2.303 -14.345 -10.987
194 1HD2 ASN 24 1HD2 ASN 24 3.733 -15.778 -11.840
195 2HD2 ASN 24 2HD2 ASN 24 5.373 -15.927 -11.286
196 H LYS 25 H LYS 25 4.016 -11.653 -7.768
197 HA LYS 25 HA LYS 25 3.154 -13.000 -5.297
198 1HB LYS 25 2HB LYS 25 5.994 -12.087 -5.816
199 2HB LYS 25 1HB LYS 25 5.398 -12.945 -4.404
200 1HG LYS 25 2HG LYS 25 4.964 -14.915 -5.767
201 2HG LYS 25 1HG LYS 25 5.529 -14.055 -7.200
202 1HD LYS 25 2HD LYS 25 7.354 -15.368 -6.497
203 2HD LYS 25 1HD LYS 25 7.718 -13.731 -5.954
204 1HE LYS 25 2HE LYS 25 8.244 -15.272 -4.187
205 2HE LYS 25 1HE LYS 25 6.844 -14.311 -3.719
206 1HZ LYS 25 1HZ LYS 25 5.396 -16.136 -4.220
207 2HZ LYS 25 2HZ LYS 25 6.632 -16.708 -3.203
208 3HZ LYS 25 3HZ LYS 25 6.674 -17.050 -4.863
209 H THR 26 H THR 26 3.215 -10.228 -7.031
210 HA THR 26 HA THR 26 3.068 -8.472 -4.756
211 HB THR 26 HB THR 26 5.386 -8.258 -6.687
212 HG1 THR 26 HG1 THR 26 5.105 -9.227 -4.103
213 1HG2 THR 26 1HG2 THR 26 4.583 -6.414 -4.443
214 2HG2 THR 26 2HG2 THR 26 4.504 -6.058 -6.170
215 3HG2 THR 26 3HG2 THR 26 6.067 -6.300 -5.390
216 H TYR 27 H TYR 27 1.845 -6.714 -5.221
217 HA TYR 27 HA TYR 27 1.412 -6.063 -8.059
218 1HB TYR 27 2HB TYR 27 -0.300 -5.524 -5.634
219 2HB TYR 27 1HB TYR 27 -0.594 -4.784 -7.197
220 HD1 TYR 27 HD1 TYR 27 -1.167 -6.251 -9.145
221 HD2 TYR 27 HD2 TYR 27 -1.045 -7.712 -5.152
222 HE1 TYR 27 HE1 TYR 27 -2.530 -8.179 -9.818
223 HE2 TYR 27 HE2 TYR 27 -2.408 -9.649 -5.813
224 HH TYR 27 HH TYR 27 -4.028 -10.240 -7.588
225 H GLY 28 H GLY 28 3.149 -4.715 -8.419
226 1HA GLY 28 2HA GLY 28 3.898 -2.599 -6.672
227 2HA GLY 28 1HA GLY 28 4.335 -2.742 -8.373
228 H TYR 29 H TYR 29 3.221 -0.495 -6.576
229 HA TYR 29 HA TYR 29 1.097 0.315 -8.425
230 1HB TYR 29 2HB TYR 29 0.829 -0.316 -5.580
231 2HB TYR 29 1HB TYR 29 0.175 1.253 -6.015
232 HD1 TYR 29 HD1 TYR 29 -0.101 -2.374 -6.537
233 HD2 TYR 29 HD2 TYR 29 -1.787 1.431 -7.426
234 HE1 TYR 29 HE1 TYR 29 -2.117 -3.477 -7.414
235 HE2 TYR 29 HE2 TYR 29 -3.807 0.337 -8.303
236 HH TYR 29 HH TYR 29 -4.470 -2.958 -7.811
237 H ARG 30 H ARG 30 0.825 2.537 -8.674
238 HA ARG 30 HA ARG 30 2.466 4.386 -7.188
239 1HB ARG 30 2HB ARG 30 3.674 5.207 -9.206
240 2HB ARG 30 1HB ARG 30 4.149 3.591 -8.705
241 1HG ARG 30 2HG ARG 30 2.788 2.623 -10.475
242 2HG ARG 30 1HG ARG 30 2.256 4.235 -10.962
243 1HD ARG 30 2HD ARG 30 4.460 4.842 -11.627
244 2HD ARG 30 1HD ARG 30 5.145 3.391 -10.898
245 HE ARG 30 HE ARG 30 3.315 2.554 -12.812
246 1HH1 ARG 30 1HH1 ARG 30 6.314 4.351 -12.698
247 2HH1 ARG 30 2HH1 ARG 30 6.849 3.823 -14.261
248 1HH2 ARG 30 1HH2 ARG 30 4.032 1.821 -14.871
249 2HH2 ARG 30 2HH2 ARG 30 5.557 2.384 -15.491
250 H ARG 31 H ARG 31 1.856 6.518 -7.459
251 HA ARG 31 HA ARG 31 -0.148 7.097 -9.536
252 1HB ARG 31 2HB ARG 31 -1.227 6.841 -7.265
253 2HB ARG 31 1HB ARG 31 -0.274 8.217 -6.727
254 1HG ARG 31 2HG ARG 31 -1.357 9.623 -8.406
255 2HG ARG 31 1HG ARG 31 -2.309 8.242 -8.949
256 1HD ARG 31 2HD ARG 31 -3.655 9.586 -7.484
257 2HD ARG 31 1HD ARG 31 -3.271 8.070 -6.673
258 HE ARG 31 HE ARG 31 -1.330 9.851 -5.874
259 1HH1 ARG 31 1HH1 ARG 31 -4.821 9.629 -5.661
260 2HH1 ARG 31 2HH1 ARG 31 -4.917 10.586 -4.220
261 1HH2 ARG 31 1HH2 ARG 31 -1.455 11.119 -3.957
262 2HH2 ARG 31 2HH2 ARG 31 -3.015 11.448 -3.264
263 H GLY 32 H GLY 32 1.998 7.668 -10.461
264 1HA GLY 32 2HA GLY 32 3.160 9.572 -11.259
265 2HA GLY 32 1HA GLY 32 2.731 10.417 -9.776
266 H GLU 33 H GLU 33 4.545 10.878 -8.676
267 HA GLU 33 HA GLU 33 6.860 9.147 -8.999
268 1HB GLU 33 2HB GLU 33 6.574 11.769 -7.523
269 2HB GLU 33 1HB GLU 33 8.087 10.918 -7.806
270 1HG GLU 33 2HG GLU 33 6.279 12.156 -9.864
271 2HG GLU 33 1HG GLU 33 7.899 12.679 -9.404
272 H ASN 34 H ASN 34 4.298 9.116 -6.970
273 HA ASN 34 HA ASN 34 5.798 8.193 -4.639
274 1HB ASN 34 2HB ASN 34 3.446 7.899 -3.661
275 2HB ASN 34 1HB ASN 34 3.971 9.545 -3.977
276 1HD2 ASN 34 1HD2 ASN 34 3.089 10.675 -5.711
277 2HD2 ASN 34 2HD2 ASN 34 1.612 10.184 -6.468
278 H TYR 35 H TYR 35 6.209 6.111 -4.294
279 HA TYR 35 HA TYR 35 4.804 4.149 -5.982
280 1HB TYR 35 2HB TYR 35 7.690 4.138 -5.086
281 2HB TYR 35 1HB TYR 35 6.906 2.835 -5.971
282 HD1 TYR 35 HD1 TYR 35 5.889 3.442 -8.264
283 HD2 TYR 35 HD2 TYR 35 8.745 5.856 -6.242
284 HE1 TYR 35 HE1 TYR 35 6.473 4.519 -10.394
285 HE2 TYR 35 HE2 TYR 35 9.335 6.945 -8.365
286 HH TYR 35 HH TYR 35 9.238 6.399 -10.790
287 H VAL 36 H VAL 36 3.985 2.394 -5.081
288 HA VAL 36 HA VAL 36 4.854 1.564 -2.409
289 HB VAL 36 HB VAL 36 2.484 1.040 -1.797
290 1HG1 VAL 36 1HG1 VAL 36 1.859 3.338 -1.194
291 2HG1 VAL 36 2HG1 VAL 36 3.103 3.950 -2.285
292 3HG1 VAL 36 3HG1 VAL 36 3.561 3.001 -0.868
293 1HG2 VAL 36 1HG2 VAL 36 0.672 2.176 -2.982
294 2HG2 VAL 36 2HG2 VAL 36 1.517 1.043 -4.036
295 3HG2 VAL 36 3HG2 VAL 36 1.824 2.774 -4.176
296 H TYR 37 H TYR 37 4.260 -0.692 -1.955
297 HA TYR 37 HA TYR 37 3.733 -2.253 -4.393
298 1HB TYR 37 2HB TYR 37 5.932 -2.741 -2.374
299 2HB TYR 37 1HB TYR 37 5.427 -3.924 -3.575
300 HD1 TYR 37 HD1 TYR 37 7.153 -0.739 -3.031
301 HD2 TYR 37 HD2 TYR 37 5.955 -3.622 -5.918
302 HE1 TYR 37 HE1 TYR 37 8.684 0.269 -4.663
303 HE2 TYR 37 HE2 TYR 37 7.487 -2.620 -7.561
304 HH TYR 37 HH TYR 37 8.580 -0.414 -7.956
305 H VAL 38 H VAL 38 2.026 -3.496 -4.111
306 HA VAL 38 HA VAL 38 1.120 -4.115 -1.417
307 HB VAL 38 HB VAL 38 -0.178 -4.747 -4.070
308 1HG1 VAL 38 1HG1 VAL 38 -2.192 -5.181 -2.764
309 2HG1 VAL 38 2HG1 VAL 38 -1.292 -4.888 -1.276
310 3HG1 VAL 38 3HG1 VAL 38 -0.882 -6.268 -2.297
311 1HG2 VAL 38 1HG2 VAL 38 -0.027 -2.360 -3.729
312 2HG2 VAL 38 2HG2 VAL 38 -0.695 -2.525 -2.105
313 3HG2 VAL 38 3HG2 VAL 38 -1.695 -2.891 -3.511
314 H ASN 39 H ASN 39 1.844 -5.849 -0.449
315 HA ASN 39 HA ASN 39 3.186 -7.972 -1.785
316 1HB ASN 39 2HB ASN 39 3.430 -7.117 0.664
317 2HB ASN 39 1HB ASN 39 2.061 -8.170 0.999
318 1HD2 ASN 39 1HD2 ASN 39 2.959 -10.146 -1.004
319 2HD2 ASN 39 2HD2 ASN 39 4.290 -10.978 -0.274
320 H ARG 40 H ARG 40 2.097 -9.336 -3.074
321 HA ARG 40 HA ARG 40 -0.690 -9.752 -2.923
322 1HB ARG 40 2HB ARG 40 0.425 -10.022 -5.026
323 2HB ARG 40 1HB ARG 40 1.485 -11.257 -4.372
324 1HG ARG 40 2HG ARG 40 -0.390 -12.785 -4.148
325 2HG ARG 40 1HG ARG 40 -1.489 -11.540 -4.750
326 1HD ARG 40 2HD ARG 40 -0.347 -11.503 -6.872
327 2HD ARG 40 1HD ARG 40 0.863 -12.638 -6.278
328 HE ARG 40 HE ARG 40 -1.145 -14.210 -6.017
329 1HH1 ARG 40 1HH1 ARG 40 -0.866 -11.768 -8.519
330 2HH1 ARG 40 2HH1 ARG 40 -1.812 -12.652 -9.676
331 1HH2 ARG 40 1HH2 ARG 40 -2.378 -15.390 -7.544
332 2HH2 ARG 40 2HH2 ARG 40 -2.673 -14.713 -9.120
333 H GLU 41 H GLU 41 2.048 -11.567 -1.687
334 HA GLU 41 HA GLU 41 0.301 -13.652 -0.689
335 1HB GLU 41 2HB GLU 41 3.294 -13.303 -0.595
336 2HB GLU 41 1HB GLU 41 2.446 -14.661 0.134
337 1HG GLU 41 2HG GLU 41 2.586 -13.935 -2.779
338 2HG GLU 41 1HG GLU 41 3.241 -15.369 -1.985
339 H ALA 42 H ALA 42 0.223 -10.841 0.375
340 HA ALA 42 HA ALA 42 0.999 -11.163 3.135
341 1HB ALA 42 1HB ALA 42 -0.227 -9.072 3.514
342 2HB ALA 42 2HB ALA 42 -0.814 -9.117 1.853
343 3HB ALA 42 3HB ALA 42 0.910 -8.924 2.175
344 H ARG 43 H ARG 43 -0.022 -13.252 3.343
345 HA ARG 43 HA ARG 43 -2.846 -13.551 2.991
346 1HB ARG 43 2HB ARG 43 -0.840 -15.382 4.322
347 2HB ARG 43 1HB ARG 43 -2.478 -15.822 3.853
348 1HG ARG 43 2HG ARG 43 -1.941 -15.475 1.520
349 2HG ARG 43 1HG ARG 43 -0.315 -14.940 1.949
350 1HD ARG 43 2HD ARG 43 0.158 -17.141 2.894
351 2HD ARG 43 1HD ARG 43 -1.472 -17.672 2.479
352 HE ARG 43 HE ARG 43 0.089 -16.691 0.248
353 1HH1 ARG 43 1HH1 ARG 43 -0.733 -19.504 2.169
354 2HH1 ARG 43 2HH1 ARG 43 -0.424 -20.630 0.883
355 1HH2 ARG 43 1HH2 ARG 43 0.543 -18.130 -1.412
356 2HH2 ARG 43 2HH2 ARG 43 0.303 -19.845 -1.181
357 H MET 44 H MET 44 -0.955 -12.258 5.411
358 HA MET 44 HA MET 44 -2.851 -12.817 7.551
359 1HB MET 44 2HB MET 44 -0.345 -11.126 7.512
360 2HB MET 44 1HB MET 44 -1.329 -11.429 8.935
361 1HG MET 44 2HG MET 44 -0.827 -13.814 8.774
362 2HG MET 44 1HG MET 44 0.170 -13.502 7.351
363 1HE MET 44 1HE MET 44 1.257 -15.082 9.835
364 2HE MET 44 2HE MET 44 2.836 -14.342 10.089
365 3HE MET 44 3HE MET 44 2.276 -14.690 8.452
366 H GLY 45 H GLY 45 -2.305 -10.509 5.105
367 1HA GLY 45 2HA GLY 45 -3.382 -8.545 4.576
368 2HA GLY 45 1HA GLY 45 -4.465 -8.840 5.929
369 H ARG 46 H ARG 46 -1.328 -9.001 7.003
370 HA ARG 46 HA ARG 46 -1.624 -6.455 8.359
371 1HB ARG 46 2HB ARG 46 0.366 -8.701 8.742
372 2HB ARG 46 1HB ARG 46 0.179 -7.307 9.788
373 1HG ARG 46 2HG ARG 46 -2.100 -8.031 10.318
374 2HG ARG 46 1HG ARG 46 -1.863 -9.460 9.315
375 1HD ARG 46 2HD ARG 46 -1.510 -10.054 11.617
376 2HD ARG 46 1HD ARG 46 0.034 -10.103 10.768
377 HE ARG 46 HE ARG 46 -0.797 -7.866 12.509
378 1HH1 ARG 46 1HH1 ARG 46 1.629 -10.085 11.305
379 2HH1 ARG 46 2HH1 ARG 46 2.903 -9.436 12.291
380 1HH2 ARG 46 1HH2 ARG 46 0.856 -6.994 13.790
381 2HH2 ARG 46 2HH2 ARG 46 2.474 -7.640 13.688
382 H THR 47 H THR 47 0.126 -7.810 5.759
383 HA THR 47 HA THR 47 2.115 -5.642 5.887
384 HB THR 47 HB THR 47 3.748 -7.249 4.897
385 HG1 THR 47 HG1 THR 47 2.815 -8.986 4.099
386 1HG2 THR 47 1HG2 THR 47 3.821 -6.847 7.281
387 2HG2 THR 47 2HG2 THR 47 4.103 -8.563 6.985
388 3HG2 THR 47 3HG2 THR 47 2.523 -8.012 7.556
389 H ALA 48 H ALA 48 -0.413 -5.766 4.440
390 HA ALA 48 HA ALA 48 0.086 -6.554 1.736
391 1HB ALA 48 1HB ALA 48 -2.139 -6.689 2.771
392 2HB ALA 48 2HB ALA 48 -2.147 -5.745 1.281
393 3HB ALA 48 3HB ALA 48 -2.197 -4.928 2.844
394 H LEU 49 H LEU 49 0.204 -3.501 3.480
395 HA LEU 49 HA LEU 49 0.568 -2.102 0.918
396 1HB LEU 49 2HB LEU 49 -1.325 -1.310 2.255
397 2HB LEU 49 1HB LEU 49 -0.244 -0.978 3.596
398 HG LEU 49 HG LEU 49 0.925 0.703 2.179
399 1HD1 LEU 49 1HD1 LEU 49 0.360 -0.226 -0.007
400 2HD1 LEU 49 2HD1 LEU 49 -0.130 1.462 0.117
401 3HD1 LEU 49 3HD1 LEU 49 -1.334 0.183 0.255
402 1HD2 LEU 49 1HD2 LEU 49 -0.782 1.422 3.743
403 2HD2 LEU 49 2HD2 LEU 49 -2.039 1.116 2.545
404 3HD2 LEU 49 3HD2 LEU 49 -0.855 2.393 2.272
405 H ILE 50 H ILE 50 2.664 -2.044 0.483
406 HA ILE 50 HA ILE 50 4.516 -1.323 2.650
407 HB ILE 50 HB ILE 50 5.021 -2.821 0.078
408 1HG1 ILE 50 2HG1 ILE 50 5.254 -3.781 2.933
409 2HG1 ILE 50 1HG1 ILE 50 3.788 -3.969 1.977
410 1HG2 ILE 50 1HG2 ILE 50 7.295 -3.176 1.009
411 2HG2 ILE 50 2HG2 ILE 50 6.910 -2.014 2.282
412 3HG2 ILE 50 3HG2 ILE 50 6.955 -1.497 0.596
413 1HD1 ILE 50 1HD1 ILE 50 6.483 -5.122 1.312
414 2HD1 ILE 50 2HD1 ILE 50 5.005 -5.322 0.369
415 3HD1 ILE 50 3HD1 ILE 50 5.110 -5.995 1.995
416 H ILE 51 H ILE 51 5.573 0.575 2.532
417 HA ILE 51 HA ILE 51 5.102 2.170 0.101
418 HB ILE 51 HB ILE 51 5.051 4.163 1.447
419 1HG1 ILE 51 2HG1 ILE 51 5.468 2.399 3.870
420 2HG1 ILE 51 1HG1 ILE 51 6.725 3.391 3.139
421 1HG2 ILE 51 1HG2 ILE 51 3.044 3.726 2.814
422 2HG2 ILE 51 2HG2 ILE 51 3.312 1.994 2.617
423 3HG2 ILE 51 3HG2 ILE 51 2.949 2.996 1.212
424 1HD1 ILE 51 1HD1 ILE 51 4.166 4.411 4.348
425 2HD1 ILE 51 2HD1 ILE 51 5.448 5.399 3.644
426 3HD1 ILE 51 3HD1 ILE 51 5.758 4.457 5.100
427 H HIS 52 H HIS 52 6.589 4.105 -0.012
428 HA HIS 52 HA HIS 52 9.291 3.193 -0.268
429 1HB HIS 52 2HB HIS 52 8.273 4.643 -1.946
430 2HB HIS 52 1HB HIS 52 7.977 5.882 -0.736
431 HD1 HIS 52 HD1 HIS 52 10.105 7.177 0.147
432 HD2 HIS 52 HD2 HIS 52 10.759 4.725 -3.135
433 HE1 HIS 52 HE1 HIS 52 12.307 7.907 -0.798
434 HE2 HIS 52 HE2 HIS 52 12.624 6.504 -2.864
435 HA PRO 53 HA PRO 53 10.899 4.504 3.733
436 1HB PRO 53 2HB PRO 53 13.341 4.941 2.127
437 2HB PRO 53 1HB PRO 53 13.129 3.980 3.600
438 1HG PRO 53 2HG PRO 53 13.421 2.756 1.270
439 2HG PRO 53 1HG PRO 53 12.231 2.163 2.440
440 1HD PRO 53 2HD PRO 53 11.798 3.799 -0.026
441 2HD PRO 53 1HD PRO 53 10.841 2.443 0.605
442 H ARG 54 H ARG 54 10.036 6.549 4.095
443 HA ARG 54 HA ARG 54 11.406 8.901 3.774
444 1HB ARG 54 2HB ARG 54 11.179 8.160 1.327
445 2HB ARG 54 1HB ARG 54 9.473 8.556 1.477
446 1HG ARG 54 2HG ARG 54 11.483 10.639 2.165
447 2HG ARG 54 1HG ARG 54 11.179 10.266 0.471
448 1HD ARG 54 2HD ARG 54 9.638 11.897 0.739
449 2HD ARG 54 1HD ARG 54 8.664 10.532 1.279
450 HE ARG 54 HE ARG 54 9.729 11.334 3.584
451 1HH1 ARG 54 1HH1 ARG 54 8.182 13.154 1.013
452 2HH1 ARG 54 2HH1 ARG 54 7.669 14.432 2.070
453 1HH2 ARG 54 1HH2 ARG 54 9.044 13.007 4.972
454 2HH2 ARG 54 2HH2 ARG 54 8.156 14.357 4.316
455 H LEU 55 H LEU 55 8.297 7.334 3.390
456 HA LEU 55 HA LEU 55 6.967 9.530 4.796
457 1HB LEU 55 2HB LEU 55 6.042 7.347 2.977
458 2HB LEU 55 1HB LEU 55 4.902 8.131 4.059
459 HG LEU 55 HG LEU 55 6.625 9.713 2.171
460 1HD1 LEU 55 1HD1 LEU 55 5.377 8.138 0.817
461 2HD1 LEU 55 2HD1 LEU 55 4.709 9.761 0.643
462 3HD1 LEU 55 3HD1 LEU 55 3.885 8.572 1.653
463 1HD2 LEU 55 1HD2 LEU 55 5.666 11.005 3.919
464 2HD2 LEU 55 2HD2 LEU 55 4.097 10.225 3.721
465 3HD2 LEU 55 3HD2 LEU 55 4.711 11.310 2.467
466 H LYS 56 H LYS 56 8.632 7.177 5.887
467 HA LYS 56 HA LYS 56 6.936 5.484 7.361
468 1HB LYS 56 2HB LYS 56 9.362 5.089 6.955
469 2HB LYS 56 1HB LYS 56 9.728 6.388 8.081
470 1HG LYS 56 2HG LYS 56 8.700 5.146 9.890
471 2HG LYS 56 1HG LYS 56 8.246 3.860 8.768
472 1HD LYS 56 2HD LYS 56 10.628 3.485 8.271
473 2HD LYS 56 1HD LYS 56 11.054 4.731 9.447
474 1HE LYS 56 2HE LYS 56 10.025 3.422 11.221
475 2HE LYS 56 1HE LYS 56 9.547 2.192 10.052
476 1HZ LYS 56 1HZ LYS 56 12.308 2.927 10.865
477 2HZ LYS 56 2HZ LYS 56 11.957 1.911 9.557
478 3HZ LYS 56 3HZ LYS 56 11.515 1.448 11.123
479 H ASP 57 H ASP 57 8.638 8.466 8.281
480 HA ASP 57 HA ASP 57 7.625 8.573 10.916
481 1HB ASP 57 2HB ASP 57 8.533 10.797 11.027
482 2HB ASP 57 1HB ASP 57 9.651 9.807 10.101
483 H ARG 58 H ARG 58 6.478 9.873 7.868
484 HA ARG 58 HA ARG 58 4.358 11.433 8.911
485 1HB ARG 58 2HB ARG 58 5.191 11.782 6.657
486 2HB ARG 58 1HB ARG 58 4.749 10.144 6.203
487 1HG ARG 58 2HG ARG 58 3.158 11.691 5.292
488 2HG ARG 58 1HG ARG 58 2.378 10.718 6.539
489 1HD ARG 58 2HD ARG 58 2.626 12.549 8.130
490 2HD ARG 58 1HD ARG 58 3.440 13.516 6.900
491 HE ARG 58 HE ARG 58 0.913 12.692 5.951
492 1HH1 ARG 58 1HH1 ARG 58 2.388 14.880 8.232
493 2HH1 ARG 58 2HH1 ARG 58 1.097 16.039 8.183
494 1HH2 ARG 58 1HH2 ARG 58 -0.816 14.178 5.868
495 2HH2 ARG 58 2HH2 ARG 58 -0.754 15.630 6.829
496 H SER 59 H SER 59 4.450 8.185 7.495
497 HA SER 59 HA SER 59 1.742 7.586 7.787
498 1HB SER 59 2HB SER 59 2.823 6.188 6.316
499 2HB SER 59 1HB SER 59 4.241 6.018 7.343
500 HG SER 59 HG SER 59 1.992 4.988 8.501
501 H SER 60 H SER 60 4.371 7.361 10.100
502 HA SER 60 HA SER 60 3.269 5.474 11.841
503 1HB SER 60 2HB SER 60 5.166 7.749 12.438
504 2HB SER 60 1HB SER 60 4.816 6.415 13.539
505 HG SER 60 HG SER 60 5.987 6.245 10.952
506 H SER 61 H SER 61 2.501 8.859 11.471
507 HA SER 61 HA SER 61 1.235 9.074 14.053
508 1HB SER 61 2HB SER 61 1.126 10.939 11.669
509 2HB SER 61 1HB SER 61 0.570 11.314 13.299
510 HG SER 61 HG SER 61 2.627 12.138 13.062
511 H LEU 62 H LEU 62 0.353 7.587 11.232
512 HA LEU 62 HA LEU 62 -2.516 8.067 11.718
513 1HB LEU 62 2HB LEU 62 -1.151 7.386 9.113
514 2HB LEU 62 1HB LEU 62 -2.880 7.575 9.335
515 HG LEU 62 HG LEU 62 -0.843 9.770 9.726
516 1HD1 LEU 62 1HD1 LEU 62 -1.021 9.091 7.390
517 2HD1 LEU 62 2HD1 LEU 62 -1.732 10.684 7.649
518 3HD1 LEU 62 3HD1 LEU 62 -2.773 9.273 7.465
519 1HD2 LEU 62 1HD2 LEU 62 -3.860 9.840 9.685
520 2HD2 LEU 62 2HD2 LEU 62 -2.791 11.237 9.828
521 3HD2 LEU 62 3HD2 LEU 62 -2.842 10.029 11.112
522 H ALA 63 H ALA 63 -0.210 5.688 10.435
523 HA ALA 63 HA ALA 63 -1.712 3.552 11.740
524 1HB ALA 63 1HB ALA 63 -2.671 3.655 9.510
525 2HB ALA 63 2HB ALA 63 -1.716 2.185 9.699
526 3HB ALA 63 3HB ALA 63 -1.062 3.548 8.794
527 H ASP 64 H ASP 64 -0.360 2.253 12.750
528 HA ASP 64 HA ASP 64 2.471 2.605 12.456
529 1HB ASP 64 2HB ASP 64 2.637 0.963 14.302
530 2HB ASP 64 1HB ASP 64 1.544 2.290 14.680
531 HA PRO 65 HA PRO 65 3.201 -0.638 9.566
532 1HB PRO 65 2HB PRO 65 5.918 -0.906 10.562
533 2HB PRO 65 1HB PRO 65 5.357 -0.196 9.047
534 1HG PRO 65 2HG PRO 65 6.444 1.270 11.062
535 2HG PRO 65 1HG PRO 65 5.246 1.917 9.926
536 1HD PRO 65 2HD PRO 65 4.869 0.939 12.729
537 2HD PRO 65 1HD PRO 65 4.153 2.347 11.916
538 H ALA 66 H ALA 66 3.409 -2.847 9.404
539 HA ALA 66 HA ALA 66 2.989 -4.357 11.833
540 1HB ALA 66 1HB ALA 66 2.595 -6.235 10.351
541 2HB ALA 66 2HB ALA 66 3.213 -5.312 8.980
542 3HB ALA 66 3HB ALA 66 1.715 -4.818 9.776
543 H SER 67 H SER 67 5.650 -3.213 10.434
544 HA SER 67 HA SER 67 7.455 -5.052 11.662
545 1HB SER 67 2HB SER 67 6.872 -6.231 9.528
546 2HB SER 67 1HB SER 67 7.495 -4.839 8.647
547 HG SER 67 HG SER 67 8.907 -6.658 10.293
548 H ASP 68 H ASP 68 9.237 -4.074 9.354
549 HA ASP 68 HA ASP 68 9.391 -1.211 9.785
550 1HB ASP 68 2HB ASP 68 10.704 -2.430 11.672
551 2HB ASP 68 1HB ASP 68 11.852 -2.835 10.404
552 H ILE 69 H ILE 69 10.998 -4.098 8.571
553 HA ILE 69 HA ILE 69 11.165 -2.925 5.921
554 HB ILE 69 HB ILE 69 13.586 -3.936 5.836
555 1HG1 ILE 69 2HG1 ILE 69 13.339 -3.138 8.731
556 2HG1 ILE 69 1HG1 ILE 69 13.460 -4.794 8.167
557 1HG2 ILE 69 1HG2 ILE 69 13.043 -1.615 5.366
558 2HG2 ILE 69 2HG2 ILE 69 14.514 -1.720 6.334
559 3HG2 ILE 69 3HG2 ILE 69 12.988 -1.263 7.092
560 1HD1 ILE 69 1HD1 ILE 69 15.597 -4.011 8.991
561 2HD1 ILE 69 2HD1 ILE 69 15.553 -2.653 7.868
562 3HD1 ILE 69 3HD1 ILE 69 15.685 -4.299 7.254
563 H LYS 70 H LYS 70 11.114 -4.398 4.330
564 HA LYS 70 HA LYS 70 11.370 -7.243 4.981
565 1HB LYS 70 2HB LYS 70 8.957 -6.805 5.024
566 2HB LYS 70 1HB LYS 70 9.052 -6.056 3.435
567 1HG LYS 70 2HG LYS 70 9.850 -8.228 2.521
568 2HG LYS 70 1HG LYS 70 9.557 -8.947 4.103
569 1HD LYS 70 2HD LYS 70 7.195 -8.407 3.939
570 2HD LYS 70 1HD LYS 70 7.469 -7.598 2.394
571 1HE LYS 70 2HE LYS 70 8.024 -10.515 2.921
572 2HE LYS 70 1HE LYS 70 6.551 -9.902 2.175
573 1HZ LYS 70 1HZ LYS 70 9.281 -9.475 1.072
574 2HZ LYS 70 2HZ LYS 70 7.810 -9.074 0.330
575 3HZ LYS 70 3HZ LYS 70 8.227 -10.700 0.561
576 H THR 71 H THR 71 12.421 -8.383 3.458
577 HA THR 71 HA THR 71 13.410 -6.923 1.153
578 HB THR 71 HB THR 71 14.879 -8.953 0.873
579 HG1 THR 71 HG1 THR 71 14.547 -9.827 3.436
580 1HG2 THR 71 1HG2 THR 71 16.322 -8.395 2.770
581 2HG2 THR 71 2HG2 THR 71 14.981 -7.549 3.547
582 3HG2 THR 71 3HG2 THR 71 15.651 -6.940 2.032
583 H CYS 72 H CYS 72 13.170 -7.570 -0.947
584 HA CYS 72 HA CYS 72 12.164 -9.956 -1.939
585 1HB CYS 72 2HB CYS 72 10.042 -9.318 -0.817
586 2HB CYS 72 1HB CYS 72 10.016 -7.821 -1.744
587 HG CYS 72 HG CYS 72 9.788 -10.971 -3.062
588 H ASP 73 H ASP 73 12.871 -9.957 -3.958
589 HA ASP 73 HA ASP 73 14.183 -7.807 -5.119
590 1HB ASP 73 2HB ASP 73 14.625 -10.121 -5.734
591 2HB ASP 73 1HB ASP 73 13.025 -10.259 -6.458
592 H HIS 74 H HIS 74 10.816 -8.579 -5.215
593 HA HIS 74 HA HIS 74 10.177 -7.248 -7.632
594 1HB HIS 74 2HB HIS 74 8.532 -8.118 -5.273
595 2HB HIS 74 1HB HIS 74 7.821 -7.220 -6.608
596 HD1 HIS 74 HD1 HIS 74 6.813 -10.007 -6.072
597 HD2 HIS 74 HD2 HIS 74 9.973 -9.188 -8.641
598 HE1 HIS 74 HE1 HIS 74 6.903 -11.949 -7.679
599 HE2 HIS 74 HE2 HIS 74 8.710 -11.335 -9.329
600 H TYR 75 H TYR 75 10.553 -6.089 -4.321
601 HA TYR 75 HA TYR 75 9.315 -3.547 -5.087
602 1HB TYR 75 2HB TYR 75 10.552 -3.844 -2.400
603 2HB TYR 75 1HB TYR 75 9.094 -2.991 -2.869
604 HD1 TYR 75 HD1 TYR 75 9.852 -4.998 -0.552
605 HD2 TYR 75 HD2 TYR 75 7.596 -5.321 -4.145
606 HE1 TYR 75 HE1 TYR 75 8.526 -6.801 0.455
607 HE2 TYR 75 HE2 TYR 75 6.263 -7.130 -3.143
608 HH TYR 75 HH TYR 75 6.087 -7.758 0.040
609 H GLN 76 H GLN 76 11.189 -3.120 -6.637
610 HA GLN 76 HA GLN 76 13.749 -2.612 -5.632
611 1HB GLN 76 2HB GLN 76 14.009 -1.068 -7.543
612 2HB GLN 76 1HB GLN 76 13.410 -2.643 -8.012
613 1HG GLN 76 2HG GLN 76 11.163 -1.747 -8.216
614 2HG GLN 76 1HG GLN 76 11.734 -0.166 -7.683
615 1HE2 GLN 76 1HE2 GLN 76 11.688 -2.468 -10.281
616 2HE2 GLN 76 2HE2 GLN 76 12.294 -1.407 -11.504
617 H ASN 77 H ASN 77 10.958 -0.459 -6.047
618 HA ASN 77 HA ASN 77 10.090 1.152 -4.753
619 1HB ASN 77 2HB ASN 77 10.418 -0.641 -3.107
620 2HB ASN 77 1HB ASN 77 11.993 0.027 -2.712
621 1HD2 ASN 77 1HD2 ASN 77 11.389 0.173 -0.668
622 2HD2 ASN 77 2HD2 ASN 77 10.341 1.415 -0.070
623 H PHE 78 H PHE 78 13.229 1.191 -5.650
624 HA PHE 78 HA PHE 78 14.331 3.045 -6.479
625 1HB PHE 78 2HB PHE 78 12.601 4.659 -5.879
626 2HB PHE 78 1HB PHE 78 13.176 4.661 -4.214
627 HD1 PHE 78 HD1 PHE 78 15.016 5.996 -3.564
628 HD2 PHE 78 HD2 PHE 78 14.084 5.531 -7.693
629 HE1 PHE 78 HE1 PHE 78 16.609 7.786 -4.123
630 HE2 PHE 78 HE2 PHE 78 15.676 7.321 -8.258
631 HZ PHE 78 HZ PHE 78 16.939 8.450 -6.469
632 HA PRO 79 HA PRO 79 17.099 3.840 -2.658
633 1HB PRO 79 2HB PRO 79 16.020 1.993 -0.607
634 2HB PRO 79 1HB PRO 79 16.614 3.652 -0.432
635 1HG PRO 79 2HG PRO 79 14.014 3.201 -0.336
636 2HG PRO 79 1HG PRO 79 14.627 4.576 -1.267
637 1HD PRO 79 2HD PRO 79 13.799 1.867 -2.253
638 2HD PRO 79 1HD PRO 79 13.317 3.471 -2.853
639 H LEU 80 H LEU 80 15.960 0.480 -2.278
640 HA LEU 80 HA LEU 80 17.053 -1.539 -2.388
641 1HB LEU 80 2HB LEU 80 18.408 0.139 -4.342
642 2HB LEU 80 1HB LEU 80 19.464 -1.094 -3.685
643 HG LEU 80 HG LEU 80 16.820 -1.559 -5.066
644 1HD1 LEU 80 1HD1 LEU 80 18.165 -2.512 -6.844
645 2HD1 LEU 80 2HD1 LEU 80 19.642 -2.155 -5.948
646 3HD1 LEU 80 3HD1 LEU 80 18.639 -0.837 -6.557
647 1HD2 LEU 80 1HD2 LEU 80 17.461 -3.929 -4.953
648 2HD2 LEU 80 2HD2 LEU 80 17.202 -3.222 -3.359
649 3HD2 LEU 80 3HD2 LEU 80 18.842 -3.489 -3.948
650 H TYR 81 H TYR 81 17.971 -2.432 -0.675
651 HA TYR 81 HA TYR 81 19.332 -0.812 1.205
652 1HB TYR 81 2HB TYR 81 17.879 -2.734 1.817
653 2HB TYR 81 1HB TYR 81 19.099 -3.829 1.173
654 HD1 TYR 81 HD1 TYR 81 18.460 -1.284 3.783
655 HD2 TYR 81 HD2 TYR 81 20.974 -4.452 2.469
656 HE1 TYR 81 HE1 TYR 81 19.620 -1.255 5.948
657 HE2 TYR 81 HE2 TYR 81 22.138 -4.435 4.631
658 HH TYR 81 HH TYR 81 22.572 -2.758 6.449
659 H LEU 82 H LEU 82 21.417 -0.465 1.541
660 HA LEU 82 HA LEU 82 23.339 -1.686 -0.273
661 1HB LEU 82 2HB LEU 82 23.079 0.857 0.592
662 2HB LEU 82 1HB LEU 82 24.195 0.258 1.802
663 HG LEU 82 HG LEU 82 25.391 1.350 -0.014
664 1HD1 LEU 82 1HD1 LEU 82 26.967 -0.403 -0.580
665 2HD1 LEU 82 2HD1 LEU 82 25.795 -1.633 -0.107
666 3HD1 LEU 82 3HD1 LEU 82 26.471 -0.547 1.108
667 1HD2 LEU 82 1HD2 LEU 82 24.141 -0.739 -1.789
668 2HD2 LEU 82 2HD2 LEU 82 25.361 0.441 -2.274
669 3HD2 LEU 82 3HD2 LEU 82 23.754 0.983 -1.781
670 H GLY 83 H GLY 83 23.293 -3.808 0.665
671 1HA GLY 83 2HA GLY 83 24.537 -4.008 3.326
672 2HA GLY 83 1HA GLY 83 23.707 -5.306 2.480
673 H GLY 84 H GLY 84 26.265 -3.083 1.485
674 1HA GLY 84 2HA GLY 84 28.410 -3.491 0.727
675 2HA GLY 84 1HA GLY 84 28.262 -5.132 1.345
676 H GLU 85 H GLU 85 28.042 -6.736 -0.067
677 HA GLU 85 HA GLU 85 27.920 -6.216 -2.886
678 1HB GLU 85 2HB GLU 85 29.132 -8.154 -1.926
679 2HB GLU 85 1HB GLU 85 27.608 -8.819 -1.373
680 1HG GLU 85 2HG GLU 85 26.858 -8.894 -3.751
681 2HG GLU 85 1HG GLU 85 28.490 -8.426 -4.222
682 H THR 86 H THR 86 25.827 -7.920 -0.620
683 HA THR 86 HA THR 86 23.684 -8.305 -2.397
684 HB THR 86 HB THR 86 22.353 -8.796 -0.339
685 HG1 THR 86 HG1 THR 86 23.626 -7.234 0.966
686 1HG2 THR 86 1HG2 THR 86 25.088 -10.071 -0.435
687 2HG2 THR 86 2HG2 THR 86 23.691 -10.549 -1.401
688 3HG2 THR 86 3HG2 THR 86 23.661 -10.746 0.352
689 H HIS 87 H HIS 87 22.450 -6.774 -3.261
690 HA HIS 87 HA HIS 87 21.585 -4.561 -1.521
691 1HB HIS 87 2HB HIS 87 21.748 -4.629 -4.543
692 2HB HIS 87 1HB HIS 87 21.091 -3.297 -3.597
693 HD1 HIS 87 HD1 HIS 87 23.408 -2.660 -5.418
694 HD2 HIS 87 HD2 HIS 87 23.917 -3.949 -1.500
695 HE1 HIS 87 HE1 HIS 87 25.691 -1.869 -4.725
696 HE2 HIS 87 HE2 HIS 87 26.075 -2.921 -2.475
697 H GLU 88 H GLU 88 19.807 -5.409 -0.613
698 HA GLU 88 HA GLU 88 17.994 -6.967 -2.266
699 1HB GLU 88 2HB GLU 88 16.740 -7.226 -0.037
700 2HB GLU 88 1HB GLU 88 18.277 -8.052 -0.236
701 1HG GLU 88 2HG GLU 88 18.225 -5.359 1.026
702 2HG GLU 88 1HG GLU 88 17.714 -6.765 1.959
703 H HIS 89 H HIS 89 16.163 -6.352 -2.992
704 HA HIS 89 HA HIS 89 15.336 -3.615 -2.869
705 1HB HIS 89 2HB HIS 89 13.767 -6.032 -3.845
706 2HB HIS 89 1HB HIS 89 13.463 -4.351 -4.255
707 HD1 HIS 89 HD1 HIS 89 14.021 -4.081 -6.660
708 HD2 HIS 89 HD2 HIS 89 16.773 -6.508 -4.718
709 HE1 HIS 89 HE1 HIS 89 15.752 -4.655 -8.388
710 HE2 HIS 89 HE2 HIS 89 17.300 -6.277 -7.238
711 H TYR 90 H TYR 90 13.900 -2.733 -1.352
712 HA TYR 90 HA TYR 90 12.514 -4.595 0.420
713 1HB TYR 90 2HB TYR 90 13.494 -3.762 2.427
714 2HB TYR 90 1HB TYR 90 14.819 -4.172 1.343
715 HD1 TYR 90 HD1 TYR 90 15.815 -2.208 -0.045
716 HD2 TYR 90 HD2 TYR 90 13.434 -1.666 3.444
717 HE1 TYR 90 HE1 TYR 90 16.737 0.052 0.228
718 HE2 TYR 90 HE2 TYR 90 14.356 0.596 3.722
719 HH TYR 90 HH TYR 90 16.470 1.818 3.049
720 H GLY 91 H GLY 91 11.113 -3.519 1.991
721 1HA GLY 91 2HA GLY 91 10.421 -0.744 1.542
722 2HA GLY 91 1HA GLY 91 9.193 -1.898 1.036
723 H ILE 92 H ILE 92 8.273 -0.301 2.856
724 HA ILE 92 HA ILE 92 8.673 -1.581 5.480
725 HB ILE 92 HB ILE 92 7.525 1.155 4.903
726 1HG1 ILE 92 2HG1 ILE 92 10.262 0.418 5.966
727 2HG1 ILE 92 1HG1 ILE 92 9.943 0.909 4.307
728 1HG2 ILE 92 1HG2 ILE 92 8.334 -0.183 7.485
729 2HG2 ILE 92 2HG2 ILE 92 6.696 0.236 6.980
730 3HG2 ILE 92 3HG2 ILE 92 7.863 1.510 7.330
731 1HD1 ILE 92 1HD1 ILE 92 9.501 2.593 6.759
732 2HD1 ILE 92 2HD1 ILE 92 9.206 3.091 5.094
733 3HD1 ILE 92 3HD1 ILE 92 10.848 2.729 5.629
734 HA PRO 93 HA PRO 93 4.622 -3.299 4.583
735 1HB PRO 93 2HB PRO 93 4.933 -4.565 7.214
736 2HB PRO 93 1HB PRO 93 4.777 -5.311 5.619
737 1HG PRO 93 2HG PRO 93 7.088 -5.345 6.977
738 2HG PRO 93 1HG PRO 93 7.036 -5.214 5.214
739 1HD PRO 93 2HD PRO 93 7.469 -3.064 7.257
740 2HD PRO 93 1HD PRO 93 8.312 -3.336 5.716
741 H HIS 94 H HIS 94 2.617 -2.688 5.042
742 HA HIS 94 HA HIS 94 1.932 -1.734 7.732
743 1HB HIS 94 2HB HIS 94 1.177 -0.350 5.142
744 2HB HIS 94 1HB HIS 94 0.489 0.032 6.715
745 HD1 HIS 94 HD1 HIS 94 3.802 0.134 4.894
746 HD2 HIS 94 HD2 HIS 94 1.903 1.855 8.162
747 HE1 HIS 94 HE1 HIS 94 5.340 1.951 5.680
748 HE2 HIS 94 HE2 HIS 94 4.042 3.135 7.499
749 H GLY 95 H GLY 95 -0.603 -1.501 7.782
750 1HA GLY 95 2HA GLY 95 -2.150 -3.150 6.087
751 2HA GLY 95 1HA GLY 95 -1.634 -4.067 7.496
752 H PHE 96 H PHE 96 -4.313 -3.580 6.988
753 HA PHE 96 HA PHE 96 -5.031 -1.631 9.051
754 1HB PHE 96 2HB PHE 96 -6.224 -1.740 6.270
755 2HB PHE 96 1HB PHE 96 -6.819 -0.731 7.586
756 HD1 PHE 96 HD1 PHE 96 -4.145 -1.230 5.143
757 HD2 PHE 96 HD2 PHE 96 -5.608 1.240 8.284
758 HE1 PHE 96 HE1 PHE 96 -2.547 0.525 4.504
759 HE2 PHE 96 HE2 PHE 96 -4.016 3.000 7.644
760 HZ PHE 96 HZ PHE 96 -2.482 2.643 5.755
761 H SER 97 H SER 97 -7.765 -1.785 8.812
762 HA SER 97 HA SER 97 -8.507 -4.601 8.916
763 1HB SER 97 2HB SER 97 -7.484 -4.064 11.130
764 2HB SER 97 1HB SER 97 -8.689 -2.800 11.354
765 HG SER 97 HG SER 97 -9.622 -4.434 12.348
766 H SER 98 H SER 98 -9.169 -1.793 7.723
767 HA SER 98 HA SER 98 -11.945 -2.324 7.342
768 1HB SER 98 2HB SER 98 -11.168 0.210 8.824
769 2HB SER 98 1HB SER 98 -12.757 -0.101 8.131
770 HG SER 98 HG SER 98 -11.874 -2.120 9.762
771 H ARG 99 H ARG 99 -12.591 -1.515 5.385
772 HA ARG 99 HA ARG 99 -10.649 -0.591 3.587
773 1HB ARG 99 2HB ARG 99 -13.616 -0.835 3.498
774 2HB ARG 99 1HB ARG 99 -12.809 0.084 2.235
775 1HG ARG 99 2HG ARG 99 -11.418 -1.871 1.721
776 2HG ARG 99 1HG ARG 99 -12.277 -2.789 2.961
777 1HD ARG 99 2HD ARG 99 -13.084 -3.155 0.612
778 2HD ARG 99 1HD ARG 99 -14.321 -2.654 1.764
779 HE ARG 99 HE ARG 99 -13.841 -0.326 0.797
780 1HH1 ARG 99 1HH1 ARG 99 -13.552 -3.273 -1.086
781 2HH1 ARG 99 2HH1 ARG 99 -14.138 -2.533 -2.548
782 1HH2 ARG 99 1HH2 ARG 99 -14.575 0.652 -1.112
783 2HH2 ARG 99 2HH2 ARG 99 -14.724 -0.301 -2.560
784 H ILE 100 H ILE 100 -13.280 1.217 5.184
785 HA ILE 100 HA ILE 100 -12.667 3.714 4.055
786 HB ILE 100 HB ILE 100 -14.766 3.316 5.267
787 1HG1 ILE 100 2HG1 ILE 100 -14.860 5.448 6.503
788 2HG1 ILE 100 1HG1 ILE 100 -13.102 5.532 6.491
789 1HG2 ILE 100 1HG2 ILE 100 -13.041 3.323 7.734
790 2HG2 ILE 100 2HG2 ILE 100 -13.911 1.937 7.071
791 3HG2 ILE 100 3HG2 ILE 100 -14.804 3.315 7.716
792 1HD1 ILE 100 1HD1 ILE 100 -14.079 6.988 4.808
793 2HD1 ILE 100 2HD1 ILE 100 -14.883 5.604 4.063
794 3HD1 ILE 100 3HD1 ILE 100 -13.122 5.707 4.062
795 H ALA 101 H ALA 101 -11.282 2.024 6.802
796 HA ALA 101 HA ALA 101 -9.783 4.111 7.911
797 1HB ALA 101 1HB ALA 101 -10.030 1.975 9.044
798 2HB ALA 101 2HB ALA 101 -8.319 2.346 8.814
799 3HB ALA 101 3HB ALA 101 -9.116 1.172 7.768
800 H LEU 102 H LEU 102 -8.778 1.623 5.582
801 HA LEU 102 HA LEU 102 -6.295 2.663 4.909
802 1HB LEU 102 2HB LEU 102 -6.930 0.470 4.199
803 2HB LEU 102 1HB LEU 102 -8.300 1.089 3.299
804 HG LEU 102 HG LEU 102 -6.772 2.130 1.680
805 1HD1 LEU 102 1HD1 LEU 102 -4.386 1.633 1.738
806 2HD1 LEU 102 2HD1 LEU 102 -4.586 0.815 3.287
807 3HD1 LEU 102 3HD1 LEU 102 -4.880 2.552 3.161
808 1HD2 LEU 102 1HD2 LEU 102 -5.936 0.057 0.672
809 2HD2 LEU 102 2HD2 LEU 102 -7.587 -0.117 1.266
810 3HD2 LEU 102 3HD2 LEU 102 -6.242 -0.792 2.185
811 H GLU 103 H GLU 103 -9.488 3.396 3.602
812 HA GLU 103 HA GLU 103 -8.717 5.003 1.458
813 1HB GLU 103 2HB GLU 103 -11.061 4.048 2.308
814 2HB GLU 103 1HB GLU 103 -11.197 5.671 2.965
815 1HG GLU 103 2HG GLU 103 -11.003 6.657 0.811
816 2HG GLU 103 1HG GLU 103 -10.582 5.110 0.080
817 H ARG 104 H ARG 104 -9.785 6.058 4.711
818 HA ARG 104 HA ARG 104 -9.122 8.789 4.201
819 1HB ARG 104 2HB ARG 104 -9.527 9.108 6.629
820 2HB ARG 104 1HB ARG 104 -10.848 8.338 5.771
821 1HG ARG 104 2HG ARG 104 -10.212 6.185 6.680
822 2HG ARG 104 1HG ARG 104 -8.836 6.928 7.504
823 1HD ARG 104 2HD ARG 104 -10.210 8.144 8.954
824 2HD ARG 104 1HD ARG 104 -11.633 7.911 7.943
825 HE ARG 104 HE ARG 104 -10.634 5.438 8.952
826 1HH1 ARG 104 1HH1 ARG 104 -12.465 8.287 9.831
827 2HH1 ARG 104 2HH1 ARG 104 -13.433 7.462 11.021
828 1HH2 ARG 104 1HH2 ARG 104 -11.926 4.327 10.513
829 2HH2 ARG 104 2HH2 ARG 104 -13.128 5.219 11.404
830 H TYR 105 H TYR 105 -7.297 6.113 5.498
831 HA TYR 105 HA TYR 105 -5.250 7.763 6.599
832 1HB TYR 105 2HB TYR 105 -5.441 4.827 6.025
833 2HB TYR 105 1HB TYR 105 -3.925 5.557 6.528
834 HD1 TYR 105 HD1 TYR 105 -5.893 3.491 7.943
835 HD2 TYR 105 HD2 TYR 105 -5.083 7.641 8.403
836 HE1 TYR 105 HE1 TYR 105 -6.635 3.372 10.283
837 HE2 TYR 105 HE2 TYR 105 -5.819 7.532 10.746
838 HH TYR 105 HH TYR 105 -6.238 4.662 12.415
839 H LEU 106 H LEU 106 -5.661 6.086 3.478
840 HA LEU 106 HA LEU 106 -3.230 6.924 2.325
841 1HB LEU 106 2HB LEU 106 -5.948 6.535 1.062
842 2HB LEU 106 1HB LEU 106 -4.485 6.838 0.147
843 HG LEU 106 HG LEU 106 -4.980 4.430 1.902
844 1HD1 LEU 106 1HD1 LEU 106 -4.917 4.701 -1.100
845 2HD1 LEU 106 2HD1 LEU 106 -6.357 4.433 -0.118
846 3HD1 LEU 106 3HD1 LEU 106 -5.101 3.197 -0.199
847 1HD2 LEU 106 1HD2 LEU 106 -2.687 5.070 0.048
848 2HD2 LEU 106 2HD2 LEU 106 -2.919 3.562 0.934
849 3HD2 LEU 106 3HD2 LEU 106 -2.618 5.062 1.811
850 H ASN 107 H ASN 107 -6.338 8.458 2.684
851 HA ASN 107 HA ASN 107 -6.010 10.870 1.369
852 1HB ASN 107 2HB ASN 107 -8.076 10.021 2.456
853 2HB ASN 107 1HB ASN 107 -7.371 10.363 4.020
854 1HD2 ASN 107 1HD2 ASN 107 -8.840 11.694 1.194
855 2HD2 ASN 107 2HD2 ASN 107 -9.068 13.280 1.828
856 H GLY 108 H GLY 108 -5.307 10.105 4.744
857 1HA GLY 108 2HA GLY 108 -4.139 12.611 5.370
858 2HA GLY 108 1HA GLY 108 -3.984 11.140 6.315
859 H LEU 109 H LEU 109 -2.703 9.528 4.375
860 HA LEU 109 HA LEU 109 -0.026 10.408 4.913
861 1HB LEU 109 2HB LEU 109 -0.654 8.077 5.167
862 2HB LEU 109 1HB LEU 109 -1.076 7.979 3.469
863 HG LEU 109 HG LEU 109 1.280 8.289 2.852
864 1HD1 LEU 109 1HD1 LEU 109 3.021 8.270 4.548
865 2HD1 LEU 109 2HD1 LEU 109 1.800 8.258 5.822
866 3HD1 LEU 109 3HD1 LEU 109 1.959 9.662 4.766
867 1HD2 LEU 109 1HD2 LEU 109 0.887 6.114 4.903
868 2HD2 LEU 109 2HD2 LEU 109 2.104 6.139 3.627
869 3HD2 LEU 109 3HD2 LEU 109 0.393 6.029 3.213
870 H PHE 110 H PHE 110 -1.598 9.415 1.849
871 HA PHE 110 HA PHE 110 0.579 10.698 0.397
872 1HB PHE 110 2HB PHE 110 -1.715 8.970 -0.543
873 2HB PHE 110 1HB PHE 110 -0.490 9.654 -1.608
874 HD1 PHE 110 HD1 PHE 110 1.920 8.996 -1.239
875 HD2 PHE 110 HD2 PHE 110 -1.343 6.956 0.578
876 HE1 PHE 110 HE1 PHE 110 3.366 7.045 -0.843
877 HE2 PHE 110 HE2 PHE 110 0.098 5.003 0.981
878 HZ PHE 110 HZ PHE 110 2.457 5.045 0.270
879 H GLY 111 H GLY 111 -2.555 11.425 1.416
880 1HA GLY 111 2HA GLY 111 -3.271 13.110 -0.814
881 2HA GLY 111 1HA GLY 111 -4.160 12.926 0.689
882 H ASP 112 H ASP 112 -0.904 14.086 -0.184
883 HA ASP 112 HA ASP 112 -1.194 16.380 1.519
884 1HB ASP 112 2HB ASP 112 1.016 15.281 1.152
885 2HB ASP 112 1HB ASP 112 0.931 15.801 -0.528
Start of MODEL 3
1 1H MET 1 1HT MET 1 -11.259 -7.610 9.882
2 2H MET 1 2HT MET 1 -12.693 -8.417 9.466
3 3H MET 1 3HT MET 1 -11.815 -7.584 8.279
4 HA MET 1 HA MET 1 -10.771 -9.918 9.767
5 1HB MET 1 2HB MET 1 -11.889 -9.741 6.975
6 2HB MET 1 1HB MET 1 -11.169 -11.174 7.696
7 1HG MET 1 2HG MET 1 -13.714 -9.815 8.551
8 2HG MET 1 1HG MET 1 -13.576 -11.353 7.701
9 1HE MET 1 1HE MET 1 -11.949 -13.653 10.405
10 2HE MET 1 2HE MET 1 -11.133 -12.732 9.141
11 3HE MET 1 3HE MET 1 -12.642 -13.572 8.786
12 H TYR 2 H TYR 2 -9.772 -7.233 8.970
13 HA TYR 2 HA TYR 2 -8.017 -6.183 8.016
14 1HB TYR 2 2HB TYR 2 -6.990 -9.008 7.765
15 2HB TYR 2 1HB TYR 2 -6.071 -7.619 7.182
16 HD1 TYR 2 HD1 TYR 2 -4.886 -6.221 8.679
17 HD2 TYR 2 HD2 TYR 2 -7.507 -9.201 10.211
18 HE1 TYR 2 HE1 TYR 2 -3.984 -5.841 10.931
19 HE2 TYR 2 HE2 TYR 2 -6.614 -8.835 12.471
20 HH TYR 2 HH TYR 2 -4.665 -7.947 13.574
21 H LEU 3 H LEU 3 -6.874 -5.876 5.884
22 HA LEU 3 HA LEU 3 -8.833 -6.457 3.786
23 1HB LEU 3 2HB LEU 3 -6.587 -4.436 3.839
24 2HB LEU 3 1HB LEU 3 -7.739 -4.638 2.533
25 HG LEU 3 HG LEU 3 -8.366 -3.708 5.333
26 1HD1 LEU 3 1HD1 LEU 3 -8.337 -2.276 2.684
27 2HD1 LEU 3 2HD1 LEU 3 -7.246 -2.010 4.045
28 3HD1 LEU 3 3HD1 LEU 3 -8.956 -1.602 4.191
29 1HD2 LEU 3 1HD2 LEU 3 -10.635 -3.351 4.520
30 2HD2 LEU 3 2HD2 LEU 3 -10.188 -5.056 4.418
31 3HD2 LEU 3 3HD2 LEU 3 -10.200 -4.055 2.964
32 H ARG 4 H ARG 4 -8.400 -7.983 2.346
33 HA ARG 4 HA ARG 4 -5.884 -9.259 2.131
34 1HB ARG 4 2HB ARG 4 -8.181 -9.208 0.160
35 2HB ARG 4 1HB ARG 4 -6.809 -10.301 0.085
36 1HG ARG 4 2HG ARG 4 -7.489 -11.280 2.233
37 2HG ARG 4 1HG ARG 4 -8.894 -10.208 2.252
38 1HD ARG 4 2HD ARG 4 -8.266 -12.384 0.265
39 2HD ARG 4 1HD ARG 4 -9.615 -12.321 1.399
40 HE ARG 4 HE ARG 4 -10.012 -10.103 -0.075
41 1HH1 ARG 4 1HH1 ARG 4 -9.477 -13.460 -0.943
42 2HH1 ARG 4 2HH1 ARG 4 -10.288 -13.323 -2.470
43 1HH2 ARG 4 1HH2 ARG 4 -11.083 -9.925 -2.075
44 2HH2 ARG 4 2HH2 ARG 4 -11.217 -11.322 -3.111
45 HA PRO 5 HA PRO 5 -3.483 -6.712 -0.590
46 1HB PRO 5 2HB PRO 5 -2.924 -8.611 -2.584
47 2HB PRO 5 1HB PRO 5 -1.946 -8.297 -1.148
48 1HG PRO 5 2HG PRO 5 -3.956 -10.432 -1.646
49 2HG PRO 5 1HG PRO 5 -2.465 -10.493 -0.690
50 1HD PRO 5 2HD PRO 5 -4.879 -10.362 0.470
51 2HD PRO 5 1HD PRO 5 -3.475 -9.525 1.169
52 H ASP 6 H ASP 6 -5.886 -8.839 -2.021
53 HA ASP 6 HA ASP 6 -6.345 -7.493 -4.424
54 1HB ASP 6 2HB ASP 6 -8.276 -9.058 -2.691
55 2HB ASP 6 1HB ASP 6 -8.572 -8.589 -4.364
56 H GLU 7 H GLU 7 -8.179 -7.233 -1.360
57 HA GLU 7 HA GLU 7 -9.858 -5.156 -2.160
58 1HB GLU 7 2HB GLU 7 -8.978 -6.168 0.509
59 2HB GLU 7 1HB GLU 7 -9.857 -4.650 0.426
60 1HG GLU 7 2HG GLU 7 -11.480 -6.278 0.832
61 2HG GLU 7 1HG GLU 7 -11.624 -5.908 -0.883
62 H VAL 8 H VAL 8 -6.669 -5.023 -0.630
63 HA VAL 8 HA VAL 8 -6.542 -2.261 -0.180
64 HB VAL 8 HB VAL 8 -4.282 -4.133 -0.932
65 1HG1 VAL 8 1HG1 VAL 8 -3.655 -1.797 -1.266
66 2HG1 VAL 8 2HG1 VAL 8 -2.806 -2.485 0.120
67 3HG1 VAL 8 3HG1 VAL 8 -4.183 -1.411 0.370
68 1HG2 VAL 8 1HG2 VAL 8 -5.309 -3.253 1.765
69 2HG2 VAL 8 2HG2 VAL 8 -3.864 -4.224 1.489
70 3HG2 VAL 8 3HG2 VAL 8 -5.450 -4.865 1.066
71 H ALA 9 H ALA 9 -5.533 -4.154 -3.014
72 HA ALA 9 HA ALA 9 -4.739 -2.016 -4.637
73 1HB ALA 9 1HB ALA 9 -4.902 -3.559 -6.479
74 2HB ALA 9 2HB ALA 9 -5.931 -4.634 -5.533
75 3HB ALA 9 3HB ALA 9 -4.245 -4.397 -5.074
76 H ARG 10 H ARG 10 -7.901 -3.541 -4.195
77 HA ARG 10 HA ARG 10 -9.294 -2.218 -6.235
78 1HB ARG 10 2HB ARG 10 -10.065 -3.597 -3.713
79 2HB ARG 10 1HB ARG 10 -11.267 -2.564 -4.471
80 1HG ARG 10 2HG ARG 10 -11.453 -4.948 -5.109
81 2HG ARG 10 1HG ARG 10 -11.217 -3.864 -6.478
82 1HD ARG 10 2HD ARG 10 -9.175 -4.700 -6.964
83 2HD ARG 10 1HD ARG 10 -8.781 -5.015 -5.275
84 HE ARG 10 HE ARG 10 -10.743 -6.827 -5.883
85 1HH1 ARG 10 1HH1 ARG 10 -7.608 -6.043 -7.242
86 2HH1 ARG 10 2HH1 ARG 10 -7.247 -7.690 -7.676
87 1HH2 ARG 10 1HH2 ARG 10 -10.294 -8.970 -6.495
88 2HH2 ARG 10 2HH2 ARG 10 -8.804 -9.346 -7.301
89 H VAL 11 H VAL 11 -8.735 -1.285 -2.856
90 HA VAL 11 HA VAL 11 -10.303 1.071 -2.931
91 HB VAL 11 HB VAL 11 -7.930 0.421 -1.164
92 1HG1 VAL 11 1HG1 VAL 11 -8.308 2.829 -1.247
93 2HG1 VAL 11 2HG1 VAL 11 -8.784 2.176 0.321
94 3HG1 VAL 11 3HG1 VAL 11 -10.015 2.586 -0.875
95 1HG2 VAL 11 1HG2 VAL 11 -9.777 -1.147 -0.905
96 2HG2 VAL 11 2HG2 VAL 11 -10.899 0.194 -0.677
97 3HG2 VAL 11 3HG2 VAL 11 -9.638 -0.113 0.516
98 H LEU 12 H LEU 12 -6.899 0.424 -3.597
99 HA LEU 12 HA LEU 12 -6.075 3.062 -4.058
100 1HB LEU 12 2HB LEU 12 -5.090 0.498 -5.311
101 2HB LEU 12 1HB LEU 12 -4.275 2.045 -5.436
102 HG LEU 12 HG LEU 12 -4.751 0.518 -2.877
103 1HD1 LEU 12 1HD1 LEU 12 -2.338 0.186 -2.886
104 2HD1 LEU 12 2HD1 LEU 12 -2.226 0.998 -4.448
105 3HD1 LEU 12 3HD1 LEU 12 -3.087 -0.535 -4.311
106 1HD2 LEU 12 1HD2 LEU 12 -3.293 3.101 -3.406
107 2HD2 LEU 12 2HD2 LEU 12 -3.253 2.208 -1.885
108 3HD2 LEU 12 3HD2 LEU 12 -4.770 2.897 -2.464
109 H GLU 13 H GLU 13 -7.437 0.644 -6.283
110 HA GLU 13 HA GLU 13 -7.317 2.146 -8.624
111 1HB GLU 13 2HB GLU 13 -9.346 0.099 -7.741
112 2HB GLU 13 1HB GLU 13 -9.216 0.728 -9.371
113 1HG GLU 13 2HG GLU 13 -6.825 -0.105 -9.345
114 2HG GLU 13 1HG GLU 13 -7.272 -0.986 -7.881
115 H LYS 14 H LYS 14 -9.693 2.097 -6.045
116 HA LYS 14 HA LYS 14 -11.653 3.733 -7.235
117 1HB LYS 14 2HB LYS 14 -11.704 2.306 -5.073
118 2HB LYS 14 1HB LYS 14 -11.053 3.732 -4.296
119 1HG LYS 14 2HG LYS 14 -12.975 5.024 -4.855
120 2HG LYS 14 1HG LYS 14 -13.607 3.737 -5.883
121 1HD LYS 14 2HD LYS 14 -14.804 3.703 -3.806
122 2HD LYS 14 1HD LYS 14 -13.762 2.284 -3.876
123 1HE LYS 14 2HE LYS 14 -13.610 3.188 -1.678
124 2HE LYS 14 1HE LYS 14 -12.091 3.535 -2.505
125 1HZ LYS 14 1HZ LYS 14 -12.757 5.781 -2.837
126 2HZ LYS 14 2HZ LYS 14 -13.023 5.419 -1.203
127 3HZ LYS 14 3HZ LYS 14 -14.329 5.476 -2.287
128 H ALA 15 H ALA 15 -8.781 4.393 -5.374
129 HA ALA 15 HA ALA 15 -9.173 7.228 -5.207
130 1HB ALA 15 1HB ALA 15 -6.656 5.624 -4.790
131 2HB ALA 15 2HB ALA 15 -7.858 5.989 -3.552
132 3HB ALA 15 3HB ALA 15 -6.929 7.295 -4.290
133 H GLY 16 H GLY 16 -8.459 5.319 -7.804
134 1HA GLY 16 2HA GLY 16 -8.120 6.178 -9.973
135 2HA GLY 16 1HA GLY 16 -7.437 7.633 -9.269
136 H PHE 17 H PHE 17 -6.250 4.764 -7.911
137 HA PHE 17 HA PHE 17 -3.637 5.293 -8.986
138 1HB PHE 17 2HB PHE 17 -4.749 3.384 -6.969
139 2HB PHE 17 1HB PHE 17 -3.140 3.138 -7.620
140 HD1 PHE 17 HD1 PHE 17 -1.341 4.136 -6.587
141 HD2 PHE 17 HD2 PHE 17 -5.228 5.781 -6.028
142 HE1 PHE 17 HE1 PHE 17 -0.428 5.735 -4.955
143 HE2 PHE 17 HE2 PHE 17 -4.322 7.382 -4.395
144 HZ PHE 17 HZ PHE 17 -1.917 7.358 -3.856
145 H THR 18 H THR 18 -2.327 3.786 -10.084
146 HA THR 18 HA THR 18 -3.809 1.770 -11.627
147 HB THR 18 HB THR 18 -2.257 2.471 -13.571
148 HG1 THR 18 HG1 THR 18 -1.357 4.124 -11.766
149 1HG2 THR 18 1HG2 THR 18 -3.841 4.170 -14.319
150 2HG2 THR 18 2HG2 THR 18 -4.443 4.353 -12.673
151 3HG2 THR 18 3HG2 THR 18 -4.692 2.837 -13.538
152 H VAL 19 H VAL 19 -2.346 0.182 -12.703
153 HA VAL 19 HA VAL 19 -0.472 -0.811 -10.785
154 HB VAL 19 HB VAL 19 -1.883 -2.368 -12.022
155 1HG1 VAL 19 1HG1 VAL 19 -2.092 -1.178 -14.121
156 2HG1 VAL 19 2HG1 VAL 19 -1.505 -2.817 -14.403
157 3HG1 VAL 19 3HG1 VAL 19 -0.386 -1.457 -14.471
158 1HG2 VAL 19 1HG2 VAL 19 0.257 -3.176 -11.194
159 2HG2 VAL 19 2HG2 VAL 19 1.027 -2.715 -12.711
160 3HG2 VAL 19 3HG2 VAL 19 -0.191 -3.991 -12.692
161 H ASP 20 H ASP 20 1.666 -0.715 -10.767
162 HA ASP 20 HA ASP 20 3.067 0.715 -12.920
163 1HB ASP 20 2HB ASP 20 3.438 1.580 -10.658
164 2HB ASP 20 1HB ASP 20 3.922 -0.019 -10.102
165 H VAL 21 H VAL 21 3.127 -2.211 -10.989
166 HA VAL 21 HA VAL 21 4.255 -3.756 -13.131
167 HB VAL 21 HB VAL 21 6.280 -2.727 -12.066
168 1HG1 VAL 21 1HG1 VAL 21 5.519 -2.542 -9.788
169 2HG1 VAL 21 2HG1 VAL 21 6.982 -3.526 -9.847
170 3HG1 VAL 21 3HG1 VAL 21 5.409 -4.297 -9.648
171 1HG2 VAL 21 1HG2 VAL 21 7.549 -4.813 -11.808
172 2HG2 VAL 21 2HG2 VAL 21 6.494 -4.850 -13.220
173 3HG2 VAL 21 3HG2 VAL 21 6.037 -5.716 -11.754
174 H VAL 22 H VAL 22 4.365 -6.107 -12.423
175 HA VAL 22 HA VAL 22 2.890 -6.701 -9.992
176 HB VAL 22 HB VAL 22 1.060 -6.571 -11.505
177 1HG1 VAL 22 1HG1 VAL 22 2.247 -6.624 -13.608
178 2HG1 VAL 22 2HG1 VAL 22 0.953 -7.822 -13.612
179 3HG1 VAL 22 3HG1 VAL 22 2.627 -8.332 -13.383
180 1HG2 VAL 22 1HG2 VAL 22 0.191 -8.848 -11.514
181 2HG2 VAL 22 2HG2 VAL 22 1.007 -8.485 -9.993
182 3HG2 VAL 22 3HG2 VAL 22 1.811 -9.476 -11.210
183 H THR 23 H THR 23 4.043 -8.153 -8.946
184 HA THR 23 HA THR 23 5.473 -10.183 -10.525
185 HB THR 23 HB THR 23 7.239 -10.236 -8.828
186 HG1 THR 23 HG1 THR 23 5.611 -8.268 -7.606
187 1HG2 THR 23 1HG2 THR 23 8.294 -8.086 -9.337
188 2HG2 THR 23 2HG2 THR 23 6.745 -7.458 -9.898
189 3HG2 THR 23 3HG2 THR 23 7.528 -8.778 -10.768
190 H ASN 24 H ASN 24 5.940 -12.175 -9.287
191 HA ASN 24 HA ASN 24 3.568 -13.348 -8.434
192 1HB ASN 24 2HB ASN 24 5.087 -15.221 -7.621
193 2HB ASN 24 1HB ASN 24 5.234 -14.769 -9.313
194 1HD2 ASN 24 1HD2 ASN 24 7.293 -15.685 -9.385
195 2HD2 ASN 24 2HD2 ASN 24 8.666 -14.888 -8.698
196 H LYS 25 H LYS 25 5.830 -11.530 -6.568
197 HA LYS 25 HA LYS 25 4.743 -12.650 -4.086
198 1HB LYS 25 2HB LYS 25 7.275 -11.104 -4.619
199 2HB LYS 25 1HB LYS 25 6.711 -11.530 -3.009
200 1HG LYS 25 2HG LYS 25 6.943 -13.854 -3.445
201 2HG LYS 25 1HG LYS 25 7.230 -13.564 -5.160
202 1HD LYS 25 2HD LYS 25 9.324 -14.061 -4.062
203 2HD LYS 25 1HD LYS 25 9.311 -12.375 -4.581
204 1HE LYS 25 2HE LYS 25 10.240 -12.467 -2.393
205 2HE LYS 25 1HE LYS 25 8.643 -11.736 -2.273
206 1HZ LYS 25 1HZ LYS 25 7.745 -13.739 -1.401
207 2HZ LYS 25 2HZ LYS 25 9.161 -13.420 -0.524
208 3HZ LYS 25 3HZ LYS 25 9.163 -14.605 -1.732
209 H THR 26 H THR 26 4.577 -9.840 -6.034
210 HA THR 26 HA THR 26 2.846 -8.521 -4.232
211 HB THR 26 HB THR 26 4.762 -8.007 -2.910
212 HG1 THR 26 HG1 THR 26 4.074 -5.747 -4.513
213 1HG2 THR 26 1HG2 THR 26 6.075 -6.968 -5.417
214 2HG2 THR 26 2HG2 THR 26 6.501 -8.439 -4.540
215 3HG2 THR 26 3HG2 THR 26 6.737 -6.865 -3.783
216 H TYR 27 H TYR 27 1.837 -6.738 -5.070
217 HA TYR 27 HA TYR 27 2.152 -6.246 -7.917
218 1HB TYR 27 2HB TYR 27 0.281 -5.029 -5.872
219 2HB TYR 27 1HB TYR 27 0.245 -4.679 -7.592
220 HD1 TYR 27 HD1 TYR 27 -1.007 -6.733 -4.990
221 HD2 TYR 27 HD2 TYR 27 -0.224 -6.663 -9.166
222 HE1 TYR 27 HE1 TYR 27 -2.642 -8.538 -5.315
223 HE2 TYR 27 HE2 TYR 27 -1.851 -8.474 -9.509
224 HH TYR 27 HH TYR 27 -2.893 -10.303 -8.198
225 H GLY 28 H GLY 28 2.483 -4.121 -8.761
226 1HA GLY 28 2HA GLY 28 3.668 -2.195 -6.855
227 2HA GLY 28 1HA GLY 28 4.195 -2.357 -8.530
228 H TYR 29 H TYR 29 2.664 -0.261 -6.725
229 HA TYR 29 HA TYR 29 0.596 0.323 -8.732
230 1HB TYR 29 2HB TYR 29 0.323 -0.259 -5.884
231 2HB TYR 29 1HB TYR 29 -0.467 1.232 -6.356
232 HD1 TYR 29 HD1 TYR 29 -2.478 1.187 -7.689
233 HD2 TYR 29 HD2 TYR 29 -0.329 -2.404 -6.927
234 HE1 TYR 29 HE1 TYR 29 -4.363 -0.125 -8.573
235 HE2 TYR 29 HE2 TYR 29 -2.206 -3.722 -7.804
236 HH TYR 29 HH TYR 29 -4.739 -2.357 -9.582
237 H ARG 30 H ARG 30 0.235 2.497 -9.182
238 HA ARG 30 HA ARG 30 1.701 4.495 -7.651
239 1HB ARG 30 2HB ARG 30 3.010 5.316 -9.477
240 2HB ARG 30 1HB ARG 30 3.298 3.585 -9.359
241 1HG ARG 30 2HG ARG 30 1.784 3.182 -11.217
242 2HG ARG 30 1HG ARG 30 1.429 4.906 -11.318
243 1HD ARG 30 2HD ARG 30 3.852 5.303 -11.763
244 2HD ARG 30 1HD ARG 30 4.075 3.553 -11.835
245 HE ARG 30 HE ARG 30 2.314 5.049 -13.678
246 1HH1 ARG 30 1HH1 ARG 30 4.720 2.573 -13.073
247 2HH1 ARG 30 2HH1 ARG 30 4.688 1.987 -14.710
248 1HH2 ARG 30 1HH2 ARG 30 2.287 4.274 -15.811
249 2HH2 ARG 30 2HH2 ARG 30 3.306 2.942 -16.258
250 H ARG 31 H ARG 31 0.909 6.546 -7.835
251 HA ARG 31 HA ARG 31 -0.708 7.252 -10.154
252 1HB ARG 31 2HB ARG 31 -2.208 6.599 -8.086
253 2HB ARG 31 1HB ARG 31 -1.712 8.175 -7.478
254 1HG ARG 31 2HG ARG 31 -2.485 9.064 -9.763
255 2HG ARG 31 1HG ARG 31 -3.325 7.523 -9.914
256 1HD ARG 31 2HD ARG 31 -4.982 8.787 -8.981
257 2HD ARG 31 1HD ARG 31 -4.220 8.167 -7.517
258 HE ARG 31 HE ARG 31 -2.935 10.371 -7.576
259 1HH1 ARG 31 1HH1 ARG 31 -6.225 9.988 -8.718
260 2HH1 ARG 31 2HH1 ARG 31 -6.629 11.668 -8.519
261 1HH2 ARG 31 1HH2 ARG 31 -3.438 12.578 -7.339
262 2HH2 ARG 31 2HH2 ARG 31 -5.029 13.148 -7.793
263 H GLY 32 H GLY 32 0.072 9.121 -10.936
264 1HA GLY 32 2HA GLY 32 1.311 11.060 -11.054
265 2HA GLY 32 1HA GLY 32 0.983 11.284 -9.338
266 H GLU 33 H GLU 33 2.690 11.191 -8.011
267 HA GLU 33 HA GLU 33 5.024 9.627 -8.922
268 1HB GLU 33 2HB GLU 33 5.251 12.185 -8.699
269 2HB GLU 33 1HB GLU 33 5.198 11.905 -6.964
270 1HG GLU 33 2HG GLU 33 7.163 10.464 -7.127
271 2HG GLU 33 1HG GLU 33 7.208 10.722 -8.869
272 H ASN 34 H ASN 34 2.526 9.196 -7.117
273 HA ASN 34 HA ASN 34 3.832 8.397 -4.636
274 1HB ASN 34 2HB ASN 34 0.929 8.100 -5.448
275 2HB ASN 34 1HB ASN 34 1.591 7.834 -3.841
276 1HD2 ASN 34 1HD2 ASN 34 0.660 10.179 -6.210
277 2HD2 ASN 34 2HD2 ASN 34 0.729 11.564 -5.169
278 H TYR 35 H TYR 35 4.918 6.553 -4.716
279 HA TYR 35 HA TYR 35 3.844 4.335 -6.321
280 1HB TYR 35 2HB TYR 35 6.648 4.654 -5.234
281 2HB TYR 35 1HB TYR 35 6.088 3.415 -6.348
282 HD1 TYR 35 HD1 TYR 35 5.296 4.176 -8.669
283 HD2 TYR 35 HD2 TYR 35 7.515 6.667 -6.027
284 HE1 TYR 35 HE1 TYR 35 5.952 5.597 -10.568
285 HE2 TYR 35 HE2 TYR 35 8.173 8.096 -7.916
286 HH TYR 35 HH TYR 35 8.407 7.962 -10.325
287 H VAL 36 H VAL 36 3.126 2.563 -5.331
288 HA VAL 36 HA VAL 36 4.072 1.917 -2.635
289 HB VAL 36 HB VAL 36 1.746 1.282 -1.951
290 1HG1 VAL 36 1HG1 VAL 36 2.746 3.367 -1.169
291 2HG1 VAL 36 2HG1 VAL 36 1.007 3.540 -1.404
292 3HG1 VAL 36 3HG1 VAL 36 2.129 4.203 -2.595
293 1HG2 VAL 36 1HG2 VAL 36 -0.149 2.277 -3.156
294 2HG2 VAL 36 2HG2 VAL 36 0.724 1.110 -4.148
295 3HG2 VAL 36 3HG2 VAL 36 0.955 2.839 -4.411
296 H TYR 37 H TYR 37 4.089 -0.302 -2.185
297 HA TYR 37 HA TYR 37 3.454 -2.022 -4.492
298 1HB TYR 37 2HB TYR 37 5.540 -2.279 -2.330
299 2HB TYR 37 1HB TYR 37 5.057 -3.649 -3.324
300 HD1 TYR 37 HD1 TYR 37 5.731 -3.824 -5.612
301 HD2 TYR 37 HD2 TYR 37 6.726 -0.360 -3.354
302 HE1 TYR 37 HE1 TYR 37 7.306 -3.142 -7.372
303 HE2 TYR 37 HE2 TYR 37 8.306 0.337 -5.108
304 HH TYR 37 HH TYR 37 8.368 -1.102 -8.197
305 H VAL 38 H VAL 38 1.772 -3.295 -4.289
306 HA VAL 38 HA VAL 38 0.636 -3.786 -1.645
307 HB VAL 38 HB VAL 38 -0.504 -4.503 -4.355
308 1HG1 VAL 38 1HG1 VAL 38 -1.370 -5.882 -2.547
309 2HG1 VAL 38 2HG1 VAL 38 -2.609 -4.777 -3.144
310 3HG1 VAL 38 3HG1 VAL 38 -1.780 -4.436 -1.626
311 1HG2 VAL 38 1HG2 VAL 38 -1.991 -2.575 -4.027
312 2HG2 VAL 38 2HG2 VAL 38 -0.296 -2.100 -4.140
313 3HG2 VAL 38 3HG2 VAL 38 -1.092 -2.150 -2.568
314 H ASN 39 H ASN 39 1.619 -5.429 -0.660
315 HA ASN 39 HA ASN 39 3.104 -7.404 -1.998
316 1HB ASN 39 2HB ASN 39 3.407 -6.596 0.391
317 2HB ASN 39 1HB ASN 39 2.056 -7.642 0.821
318 1HD2 ASN 39 1HD2 ASN 39 2.346 -9.852 0.844
319 2HD2 ASN 39 2HD2 ASN 39 3.903 -10.590 0.700
320 H ARG 40 H ARG 40 2.625 -9.403 -2.717
321 HA ARG 40 HA ARG 40 -0.208 -9.968 -3.009
322 1HB ARG 40 2HB ARG 40 1.375 -10.044 -4.946
323 2HB ARG 40 1HB ARG 40 2.166 -11.422 -4.196
324 1HG ARG 40 2HG ARG 40 0.531 -11.986 -5.998
325 2HG ARG 40 1HG ARG 40 0.232 -12.778 -4.447
326 1HD ARG 40 2HD ARG 40 -1.437 -11.134 -3.892
327 2HD ARG 40 1HD ARG 40 -1.111 -10.257 -5.382
328 HE ARG 40 HE ARG 40 -1.819 -12.661 -6.323
329 1HH1 ARG 40 1HH1 ARG 40 -3.283 -10.615 -3.903
330 2HH1 ARG 40 2HH1 ARG 40 -4.910 -11.112 -4.251
331 1HH2 ARG 40 1HH2 ARG 40 -3.971 -13.328 -6.820
332 2HH2 ARG 40 2HH2 ARG 40 -5.296 -12.671 -5.903
333 H GLU 41 H GLU 41 2.509 -11.089 -1.255
334 HA GLU 41 HA GLU 41 1.444 -13.693 -0.631
335 1HB GLU 41 2HB GLU 41 3.679 -12.259 0.792
336 2HB GLU 41 1HB GLU 41 3.444 -13.994 0.607
337 1HG GLU 41 2HG GLU 41 3.935 -13.852 -1.747
338 2HG GLU 41 1HG GLU 41 4.045 -12.096 -1.650
339 H ALA 42 H ALA 42 0.110 -11.017 0.092
340 HA ALA 42 HA ALA 42 0.179 -10.850 2.958
341 1HB ALA 42 1HB ALA 42 -0.152 -8.866 1.605
342 2HB ALA 42 2HB ALA 42 -1.549 -9.135 2.650
343 3HB ALA 42 3HB ALA 42 -1.635 -9.542 0.936
344 H ARG 43 H ARG 43 -0.439 -13.324 2.887
345 HA ARG 43 HA ARG 43 -3.243 -13.887 2.778
346 1HB ARG 43 2HB ARG 43 -0.938 -15.318 4.112
347 2HB ARG 43 1HB ARG 43 -2.586 -15.934 4.099
348 1HG ARG 43 2HG ARG 43 -2.562 -16.230 1.757
349 2HG ARG 43 1HG ARG 43 -1.081 -15.286 1.582
350 1HD ARG 43 2HD ARG 43 -1.252 -17.878 3.104
351 2HD ARG 43 1HD ARG 43 -0.778 -17.766 1.408
352 HE ARG 43 HE ARG 43 1.181 -16.569 2.077
353 1HH1 ARG 43 1HH1 ARG 43 -0.657 -17.943 4.728
354 2HH1 ARG 43 2HH1 ARG 43 0.656 -17.848 5.857
355 1HH2 ARG 43 1HH2 ARG 43 2.903 -16.432 3.557
356 2HH2 ARG 43 2HH2 ARG 43 2.682 -16.974 5.202
357 H MET 44 H MET 44 -1.174 -12.313 4.922
358 HA MET 44 HA MET 44 -3.381 -11.999 6.840
359 1HB MET 44 2HB MET 44 -0.401 -11.803 7.358
360 2HB MET 44 1HB MET 44 -1.650 -11.393 8.525
361 1HG MET 44 2HG MET 44 -2.438 -13.702 8.494
362 2HG MET 44 1HG MET 44 -1.177 -14.116 7.333
363 1HE MET 44 1HE MET 44 1.299 -12.425 8.365
364 2HE MET 44 2HE MET 44 1.418 -14.120 7.889
365 3HE MET 44 3HE MET 44 2.083 -13.589 9.434
366 H GLY 45 H GLY 45 -4.306 -10.089 6.500
367 1HA GLY 45 2HA GLY 45 -3.172 -8.074 4.885
368 2HA GLY 45 1HA GLY 45 -4.655 -7.938 5.808
369 H ARG 46 H ARG 46 -1.743 -8.637 7.592
370 HA ARG 46 HA ARG 46 -1.644 -5.923 8.618
371 1HB ARG 46 2HB ARG 46 0.165 -8.242 9.308
372 2HB ARG 46 1HB ARG 46 -0.097 -6.780 10.228
373 1HG ARG 46 2HG ARG 46 -2.538 -7.603 10.384
374 2HG ARG 46 1HG ARG 46 -1.848 -9.165 9.949
375 1HD ARG 46 2HD ARG 46 -1.289 -7.479 12.372
376 2HD ARG 46 1HD ARG 46 -1.891 -9.133 12.305
377 HE ARG 46 HE ARG 46 0.879 -8.300 11.742
378 1HH1 ARG 46 1HH1 ARG 46 -1.453 -10.768 12.595
379 2HH1 ARG 46 2HH1 ARG 46 -0.235 -11.954 12.985
380 1HH2 ARG 46 1HH2 ARG 46 2.469 -9.823 12.317
381 2HH2 ARG 46 2HH2 ARG 46 1.991 -11.411 12.847
382 H THR 47 H THR 47 -0.350 -7.801 6.176
383 HA THR 47 HA THR 47 1.887 -5.997 5.733
384 HB THR 47 HB THR 47 3.357 -7.868 5.113
385 HG1 THR 47 HG1 THR 47 1.327 -9.270 4.734
386 1HG2 THR 47 1HG2 THR 47 3.483 -7.139 7.423
387 2HG2 THR 47 2HG2 THR 47 3.691 -8.888 7.336
388 3HG2 THR 47 3HG2 THR 47 2.147 -8.211 7.858
389 H ALA 48 H ALA 48 0.788 -5.048 4.082
390 HA ALA 48 HA ALA 48 0.361 -6.545 1.639
391 1HB ALA 48 1HB ALA 48 -2.040 -6.128 1.524
392 2HB ALA 48 2HB ALA 48 -1.995 -5.363 3.113
393 3HB ALA 48 3HB ALA 48 -1.645 -7.084 2.953
394 H LEU 49 H LEU 49 0.279 -3.501 3.398
395 HA LEU 49 HA LEU 49 0.480 -2.159 0.789
396 1HB LEU 49 2HB LEU 49 -1.392 -1.310 2.145
397 2HB LEU 49 1HB LEU 49 -0.276 -0.934 3.447
398 HG LEU 49 HG LEU 49 0.903 0.641 1.889
399 1HD1 LEU 49 1HD1 LEU 49 -1.489 0.107 0.138
400 2HD1 LEU 49 2HD1 LEU 49 0.186 -0.315 -0.218
401 3HD1 LEU 49 3HD1 LEU 49 -0.292 1.378 -0.110
402 1HD2 LEU 49 1HD2 LEU 49 -0.719 2.415 2.105
403 2HD2 LEU 49 2HD2 LEU 49 -0.736 1.407 3.552
404 3HD2 LEU 49 3HD2 LEU 49 -2.013 1.241 2.345
405 H ILE 50 H ILE 50 2.585 -2.053 0.313
406 HA ILE 50 HA ILE 50 4.374 -1.136 2.460
407 HB ILE 50 HB ILE 50 5.068 -2.752 0.003
408 1HG1 ILE 50 2HG1 ILE 50 5.107 -3.498 2.938
409 2HG1 ILE 50 1HG1 ILE 50 3.818 -3.935 1.824
410 1HG2 ILE 50 1HG2 ILE 50 7.315 -2.899 1.021
411 2HG2 ILE 50 2HG2 ILE 50 6.802 -1.757 2.267
412 3HG2 ILE 50 3HG2 ILE 50 6.880 -1.248 0.580
413 1HD1 ILE 50 1HD1 ILE 50 6.688 -4.808 1.632
414 2HD1 ILE 50 2HD1 ILE 50 5.391 -5.249 0.518
415 3HD1 ILE 50 3HD1 ILE 50 5.329 -5.780 2.198
416 H ILE 51 H ILE 51 4.387 0.973 2.288
417 HA ILE 51 HA ILE 51 4.012 2.350 -0.167
418 HB ILE 51 HB ILE 51 4.500 4.406 1.273
419 1HG1 ILE 51 2HG1 ILE 51 4.254 2.430 3.551
420 2HG1 ILE 51 1HG1 ILE 51 5.806 3.051 2.996
421 1HG2 ILE 51 1HG2 ILE 51 2.319 4.294 2.352
422 2HG2 ILE 51 2HG2 ILE 51 2.289 2.545 2.136
423 3HG2 ILE 51 3HG2 ILE 51 2.246 3.608 0.729
424 1HD1 ILE 51 1HD1 ILE 51 3.535 4.706 4.077
425 2HD1 ILE 51 2HD1 ILE 51 5.105 5.313 3.549
426 3HD1 ILE 51 3HD1 ILE 51 4.998 4.251 4.952
427 H HIS 52 H HIS 52 6.602 3.094 2.107
428 HA HIS 52 HA HIS 52 8.810 2.692 0.437
429 1HB HIS 52 2HB HIS 52 7.761 4.416 -0.980
430 2HB HIS 52 1HB HIS 52 7.612 5.489 0.402
431 HD1 HIS 52 HD1 HIS 52 10.002 6.262 1.441
432 HD2 HIS 52 HD2 HIS 52 10.035 4.804 -2.445
433 HE1 HIS 52 HE1 HIS 52 12.150 7.086 0.464
434 HE2 HIS 52 HE2 HIS 52 12.000 6.443 -1.999
435 HA PRO 53 HA PRO 53 10.652 3.513 4.492
436 1HB PRO 53 2HB PRO 53 13.127 4.244 3.371
437 2HB PRO 53 1HB PRO 53 12.668 2.642 3.948
438 1HG PRO 53 2HG PRO 53 12.694 3.721 1.178
439 2HG PRO 53 1HG PRO 53 13.014 2.076 1.746
440 1HD PRO 53 2HD PRO 53 10.719 2.730 0.527
441 2HD PRO 53 1HD PRO 53 10.764 1.548 1.854
442 H ARG 54 H ARG 54 12.413 5.402 5.137
443 HA ARG 54 HA ARG 54 12.736 7.604 5.535
444 1HB ARG 54 2HB ARG 54 13.187 8.072 3.276
445 2HB ARG 54 1HB ARG 54 11.497 7.905 2.820
446 1HG ARG 54 2HG ARG 54 10.926 9.980 3.688
447 2HG ARG 54 1HG ARG 54 12.356 10.048 4.720
448 1HD ARG 54 2HD ARG 54 12.466 10.109 1.711
449 2HD ARG 54 1HD ARG 54 12.410 11.559 2.711
450 HE ARG 54 HE ARG 54 14.489 10.229 3.776
451 1HH1 ARG 54 1HH1 ARG 54 13.721 11.035 0.443
452 2HH1 ARG 54 2HH1 ARG 54 15.383 11.132 -0.048
453 1HH2 ARG 54 1HH2 ARG 54 16.668 10.387 3.128
454 2HH2 ARG 54 2HH2 ARG 54 17.053 10.770 1.478
455 H LEU 55 H LEU 55 9.491 6.921 4.333
456 HA LEU 55 HA LEU 55 8.232 8.988 5.885
457 1HB LEU 55 2HB LEU 55 7.218 6.716 4.195
458 2HB LEU 55 1HB LEU 55 6.134 7.741 5.115
459 HG LEU 55 HG LEU 55 8.013 8.702 2.957
460 1HD1 LEU 55 1HD1 LEU 55 5.014 8.352 2.933
461 2HD1 LEU 55 2HD1 LEU 55 6.176 7.353 2.059
462 3HD1 LEU 55 3HD1 LEU 55 5.987 9.055 1.642
463 1HD2 LEU 55 1HD2 LEU 55 6.682 10.796 3.191
464 2HD2 LEU 55 2HD2 LEU 55 7.673 10.407 4.597
465 3HD2 LEU 55 3HD2 LEU 55 5.934 10.098 4.633
466 H LYS 56 H LYS 56 9.729 6.540 7.056
467 HA LYS 56 HA LYS 56 7.972 4.836 8.363
468 1HB LYS 56 2HB LYS 56 10.471 4.611 8.121
469 2HB LYS 56 1HB LYS 56 10.633 5.771 9.431
470 1HG LYS 56 2HG LYS 56 9.531 4.272 10.960
471 2HG LYS 56 1HG LYS 56 9.203 3.132 9.650
472 1HD LYS 56 2HD LYS 56 11.662 2.932 9.304
473 2HD LYS 56 1HD LYS 56 11.899 3.928 10.744
474 1HE LYS 56 2HE LYS 56 10.727 2.275 12.092
475 2HE LYS 56 1HE LYS 56 10.431 1.295 10.654
476 1HZ LYS 56 1HZ LYS 56 12.288 0.400 11.815
477 2HZ LYS 56 2HZ LYS 56 13.062 1.911 11.885
478 3HZ LYS 56 3HZ LYS 56 12.871 1.121 10.392
479 H ASP 57 H ASP 57 9.494 7.813 9.599
480 HA ASP 57 HA ASP 57 8.169 7.649 12.117
481 1HB ASP 57 2HB ASP 57 9.111 9.876 12.536
482 2HB ASP 57 1HB ASP 57 10.329 8.774 11.906
483 H ARG 58 H ARG 58 7.455 9.210 9.083
484 HA ARG 58 HA ARG 58 5.358 10.874 10.089
485 1HB ARG 58 2HB ARG 58 6.429 11.510 8.038
486 2HB ARG 58 1HB ARG 58 6.070 9.956 7.302
487 1HG ARG 58 2HG ARG 58 4.572 11.512 6.354
488 2HG ARG 58 1HG ARG 58 3.630 10.549 7.491
489 1HD ARG 58 2HD ARG 58 4.773 13.284 8.065
490 2HD ARG 58 1HD ARG 58 3.109 12.960 7.578
491 HE ARG 58 HE ARG 58 3.019 11.558 9.684
492 1HH1 ARG 58 1HH1 ARG 58 5.021 14.404 9.331
493 2HH1 ARG 58 2HH1 ARG 58 5.093 14.722 11.039
494 1HH2 ARG 58 1HH2 ARG 58 3.156 11.943 11.941
495 2HH2 ARG 58 2HH2 ARG 58 4.025 13.328 12.519
496 H SER 59 H SER 59 5.372 7.878 8.181
497 HA SER 59 HA SER 59 2.596 7.627 8.005
498 1HB SER 59 2HB SER 59 3.884 6.425 6.446
499 2HB SER 59 1HB SER 59 4.855 5.661 7.698
500 HG SER 59 HG SER 59 2.215 5.099 8.001
501 H SER 60 H SER 60 4.815 6.599 10.527
502 HA SER 60 HA SER 60 3.188 4.719 11.814
503 1HB SER 60 2HB SER 60 5.294 6.554 12.974
504 2HB SER 60 1HB SER 60 4.591 5.171 13.814
505 HG SER 60 HG SER 60 6.341 5.239 11.625
506 H SER 61 H SER 61 2.973 8.180 11.750
507 HA SER 61 HA SER 61 1.431 8.483 14.125
508 1HB SER 61 2HB SER 61 1.546 10.276 11.687
509 2HB SER 61 1HB SER 61 0.954 10.725 13.286
510 HG SER 61 HG SER 61 2.927 11.041 13.915
511 H LEU 62 H LEU 62 0.738 7.223 11.062
512 HA LEU 62 HA LEU 62 -2.149 7.678 11.413
513 1HB LEU 62 2HB LEU 62 -0.559 7.163 8.901
514 2HB LEU 62 1HB LEU 62 -2.306 7.292 8.966
515 HG LEU 62 HG LEU 62 -0.386 9.509 9.686
516 1HD1 LEU 62 1HD1 LEU 62 -0.333 9.024 7.305
517 2HD1 LEU 62 2HD1 LEU 62 -1.156 10.553 7.612
518 3HD1 LEU 62 3HD1 LEU 62 -2.093 9.108 7.235
519 1HD2 LEU 62 1HD2 LEU 62 -2.406 10.911 9.681
520 2HD2 LEU 62 2HD2 LEU 62 -2.476 9.658 10.921
521 3HD2 LEU 62 3HD2 LEU 62 -3.394 9.472 9.426
522 H ALA 63 H ALA 63 0.258 5.301 10.317
523 HA ALA 63 HA ALA 63 -1.666 3.181 10.980
524 1HB ALA 63 1HB ALA 63 -1.716 3.548 8.561
525 2HB ALA 63 2HB ALA 63 -1.062 1.962 8.966
526 3HB ALA 63 3HB ALA 63 0.023 3.266 8.484
527 H ASP 64 H ASP 64 -0.826 1.432 11.970
528 HA ASP 64 HA ASP 64 1.887 1.642 12.938
529 1HB ASP 64 2HB ASP 64 -0.281 -0.396 13.498
530 2HB ASP 64 1HB ASP 64 1.291 -0.371 14.288
531 HA PRO 65 HA PRO 65 3.472 -1.142 9.816
532 1HB PRO 65 2HB PRO 65 5.916 -1.150 11.431
533 2HB PRO 65 1HB PRO 65 5.662 -0.531 9.797
534 1HG PRO 65 2HG PRO 65 6.099 1.101 11.906
535 2HG PRO 65 1HG PRO 65 5.069 1.565 10.539
536 1HD PRO 65 2HD PRO 65 4.277 0.554 13.248
537 2HD PRO 65 1HD PRO 65 3.563 1.867 12.283
538 H ALA 66 H ALA 66 3.360 -3.302 9.742
539 HA ALA 66 HA ALA 66 2.953 -4.804 12.176
540 1HB ALA 66 1HB ALA 66 3.048 -5.761 9.319
541 2HB ALA 66 2HB ALA 66 1.599 -5.208 10.163
542 3HB ALA 66 3HB ALA 66 2.437 -6.662 10.709
543 H SER 67 H SER 67 5.642 -3.740 10.834
544 HA SER 67 HA SER 67 7.347 -5.761 11.910
545 1HB SER 67 2HB SER 67 6.687 -6.748 9.710
546 2HB SER 67 1HB SER 67 7.376 -5.332 8.923
547 HG SER 67 HG SER 67 8.813 -7.122 10.602
548 H ASP 68 H ASP 68 9.143 -4.724 9.633
549 HA ASP 68 HA ASP 68 9.607 -1.959 10.382
550 1HB ASP 68 2HB ASP 68 10.782 -3.447 12.116
551 2HB ASP 68 1HB ASP 68 11.816 -3.977 10.800
552 H ILE 69 H ILE 69 10.880 -4.847 8.820
553 HA ILE 69 HA ILE 69 11.154 -3.414 6.315
554 HB ILE 69 HB ILE 69 13.483 -4.614 6.091
555 1HG1 ILE 69 2HG1 ILE 69 13.318 -4.075 9.046
556 2HG1 ILE 69 1HG1 ILE 69 13.294 -5.675 8.337
557 1HG2 ILE 69 1HG2 ILE 69 13.109 -2.210 5.877
558 2HG2 ILE 69 2HG2 ILE 69 14.593 -2.548 6.768
559 3HG2 ILE 69 3HG2 ILE 69 13.139 -2.044 7.631
560 1HD1 ILE 69 1HD1 ILE 69 15.546 -5.288 7.436
561 2HD1 ILE 69 2HD1 ILE 69 15.497 -5.152 9.194
562 3HD1 ILE 69 3HD1 ILE 69 15.560 -3.697 8.199
563 H LYS 70 H LYS 70 10.862 -4.652 4.605
564 HA LYS 70 HA LYS 70 10.909 -7.581 4.911
565 1HB LYS 70 2HB LYS 70 8.553 -6.725 4.706
566 2HB LYS 70 1HB LYS 70 8.978 -6.041 3.144
567 1HG LYS 70 2HG LYS 70 9.403 -8.247 2.247
568 2HG LYS 70 1HG LYS 70 9.105 -8.975 3.829
569 1HD LYS 70 2HD LYS 70 6.793 -8.012 3.735
570 2HD LYS 70 1HD LYS 70 7.127 -7.524 2.074
571 1HE LYS 70 2HE LYS 70 7.280 -10.365 3.080
572 2HE LYS 70 1HE LYS 70 5.866 -9.672 2.290
573 1HZ LYS 70 1HZ LYS 70 8.557 -10.116 1.111
574 2HZ LYS 70 2HZ LYS 70 7.350 -9.197 0.355
575 3HZ LYS 70 3HZ LYS 70 7.092 -10.847 0.655
576 H THR 71 H THR 71 12.711 -8.162 3.906
577 HA THR 71 HA THR 71 13.748 -6.561 1.720
578 HB THR 71 HB THR 71 15.728 -8.152 1.964
579 HG1 THR 71 HG1 THR 71 15.547 -9.721 3.367
580 1HG2 THR 71 1HG2 THR 71 14.896 -6.451 4.318
581 2HG2 THR 71 2HG2 THR 71 15.757 -5.901 2.881
582 3HG2 THR 71 3HG2 THR 71 16.536 -7.019 3.999
583 H CYS 72 H CYS 72 14.071 -7.203 -0.312
584 HA CYS 72 HA CYS 72 14.140 -9.652 -1.506
585 1HB CYS 72 2HB CYS 72 11.877 -10.109 -0.615
586 2HB CYS 72 1HB CYS 72 11.278 -8.651 -1.394
587 HG CYS 72 HG CYS 72 12.219 -11.586 -2.854
588 H ASP 73 H ASP 73 14.876 -9.159 -3.504
589 HA ASP 73 HA ASP 73 14.995 -6.416 -4.229
590 1HB ASP 73 2HB ASP 73 16.368 -8.805 -4.953
591 2HB ASP 73 1HB ASP 73 15.862 -7.976 -6.425
592 H HIS 74 H HIS 74 12.495 -6.531 -4.177
593 HA HIS 74 HA HIS 74 11.665 -6.353 -6.998
594 1HB HIS 74 2HB HIS 74 9.989 -7.201 -4.618
595 2HB HIS 74 1HB HIS 74 9.310 -6.758 -6.176
596 HD1 HIS 74 HD1 HIS 74 8.302 -9.040 -6.674
597 HD2 HIS 74 HD2 HIS 74 12.390 -9.187 -5.914
598 HE1 HIS 74 HE1 HIS 74 9.008 -11.405 -7.175
599 HE2 HIS 74 HE2 HIS 74 11.447 -11.504 -6.559
600 H TYR 75 H TYR 75 11.195 -5.225 -3.667
601 HA TYR 75 HA TYR 75 9.849 -2.805 -4.488
602 1HB TYR 75 2HB TYR 75 11.004 -3.102 -1.753
603 2HB TYR 75 1HB TYR 75 9.475 -2.391 -2.248
604 HD1 TYR 75 HD1 TYR 75 11.216 -5.488 -1.385
605 HD2 TYR 75 HD2 TYR 75 7.498 -3.764 -2.510
606 HE1 TYR 75 HE1 TYR 75 10.065 -7.542 -0.687
607 HE2 TYR 75 HE2 TYR 75 6.333 -5.817 -1.822
608 HH TYR 75 HH TYR 75 6.642 -8.031 -1.282
609 H GLN 76 H GLN 76 11.509 -1.896 -5.868
610 HA GLN 76 HA GLN 76 14.166 -1.574 -5.094
611 1HB GLN 76 2HB GLN 76 14.220 0.180 -6.891
612 2HB GLN 76 1HB GLN 76 13.663 -1.405 -7.387
613 1HG GLN 76 2HG GLN 76 11.331 -0.583 -7.194
614 2HG GLN 76 1HG GLN 76 11.970 1.021 -6.844
615 1HE2 GLN 76 1HE2 GLN 76 10.298 0.113 -9.053
616 2HE2 GLN 76 2HE2 GLN 76 11.158 0.504 -10.498
617 H ASN 77 H ASN 77 11.578 0.872 -5.064
618 HA ASN 77 HA ASN 77 11.249 2.749 -3.871
619 1HB ASN 77 2HB ASN 77 12.882 1.163 -1.915
620 2HB ASN 77 1HB ASN 77 12.337 2.792 -1.531
621 1HD2 ASN 77 1HD2 ASN 77 11.389 -0.494 -2.058
622 2HD2 ASN 77 2HD2 ASN 77 9.761 -0.319 -1.505
623 H PHE 78 H PHE 78 14.561 2.315 -2.663
624 HA PHE 78 HA PHE 78 15.787 4.125 -4.404
625 1HB PHE 78 2HB PHE 78 14.264 5.776 -3.427
626 2HB PHE 78 1HB PHE 78 14.860 5.399 -1.819
627 HD1 PHE 78 HD1 PHE 78 16.851 6.361 -0.986
628 HD2 PHE 78 HD2 PHE 78 15.747 6.893 -5.061
629 HE1 PHE 78 HE1 PHE 78 18.579 8.093 -1.224
630 HE2 PHE 78 HE2 PHE 78 17.477 8.623 -5.306
631 HZ PHE 78 HZ PHE 78 18.896 9.223 -3.387
632 HA PRO 79 HA PRO 79 18.753 3.904 -0.732
633 1HB PRO 79 2HB PRO 79 17.583 2.586 1.567
634 2HB PRO 79 1HB PRO 79 18.133 4.254 1.413
635 1HG PRO 79 2HG PRO 79 15.515 3.586 1.698
636 2HG PRO 79 1HG PRO 79 16.055 5.024 0.813
637 1HD PRO 79 2HD PRO 79 15.247 2.339 -0.258
638 2HD PRO 79 1HD PRO 79 14.782 3.958 -0.825
639 H LEU 80 H LEU 80 16.700 1.064 -0.617
640 HA LEU 80 HA LEU 80 17.032 -1.113 -0.287
641 1HB LEU 80 2HB LEU 80 18.863 -2.080 -1.884
642 2HB LEU 80 1HB LEU 80 17.319 -1.483 -2.454
643 HG LEU 80 HG LEU 80 18.645 0.743 -2.848
644 1HD1 LEU 80 1HD1 LEU 80 20.853 -1.297 -3.036
645 2HD1 LEU 80 2HD1 LEU 80 20.721 -0.087 -1.758
646 3HD1 LEU 80 3HD1 LEU 80 20.956 0.419 -3.430
647 1HD2 LEU 80 1HD2 LEU 80 17.545 -0.672 -4.487
648 2HD2 LEU 80 2HD2 LEU 80 18.971 -1.706 -4.541
649 3HD2 LEU 80 3HD2 LEU 80 19.073 -0.032 -5.095
650 H TYR 81 H TYR 81 17.619 -2.226 1.238
651 HA TYR 81 HA TYR 81 20.365 -2.087 2.299
652 1HB TYR 81 2HB TYR 81 19.020 -0.973 3.898
653 2HB TYR 81 1HB TYR 81 17.716 -2.139 3.742
654 HD1 TYR 81 HD1 TYR 81 21.141 -1.655 5.079
655 HD2 TYR 81 HD2 TYR 81 17.639 -4.073 5.097
656 HE1 TYR 81 HE1 TYR 81 22.018 -2.905 7.008
657 HE2 TYR 81 HE2 TYR 81 18.510 -5.336 7.018
658 HH TYR 81 HH TYR 81 20.650 -5.839 8.075
659 H LEU 82 H LEU 82 21.382 -4.023 2.382
660 HA LEU 82 HA LEU 82 20.026 -6.299 1.269
661 1HB LEU 82 2HB LEU 82 22.460 -5.625 0.895
662 2HB LEU 82 1HB LEU 82 22.774 -6.330 2.468
663 HG LEU 82 HG LEU 82 23.172 -7.749 0.336
664 1HD1 LEU 82 1HD1 LEU 82 23.317 -8.631 2.604
665 2HD1 LEU 82 2HD1 LEU 82 22.601 -9.798 1.493
666 3HD1 LEU 82 3HD1 LEU 82 21.572 -8.900 2.610
667 1HD2 LEU 82 1HD2 LEU 82 21.017 -7.296 -0.703
668 2HD2 LEU 82 2HD2 LEU 82 20.197 -8.078 0.649
669 3HD2 LEU 82 3HD2 LEU 82 21.240 -9.024 -0.413
670 H GLY 83 H GLY 83 19.543 -8.293 2.487
671 1HA GLY 83 2HA GLY 83 19.328 -8.145 5.320
672 2HA GLY 83 1HA GLY 83 19.272 -9.616 4.365
673 H GLY 84 H GLY 84 21.615 -7.166 5.359
674 1HA GLY 84 2HA GLY 84 23.467 -8.449 6.790
675 2HA GLY 84 1HA GLY 84 23.812 -9.058 5.175
676 H GLU 85 H GLU 85 24.373 -7.526 3.513
677 HA GLU 85 HA GLU 85 25.779 -5.186 4.394
678 1HB GLU 85 2HB GLU 85 25.029 -5.814 1.546
679 2HB GLU 85 1HB GLU 85 26.413 -4.920 2.135
680 1HG GLU 85 2HG GLU 85 27.387 -6.882 1.490
681 2HG GLU 85 1HG GLU 85 27.089 -7.194 3.199
682 H THR 86 H THR 86 24.968 -3.554 2.038
683 HA THR 86 HA THR 86 22.142 -3.055 2.622
684 HB THR 86 HB THR 86 23.226 -1.392 3.926
685 HG1 THR 86 HG1 THR 86 22.305 -0.297 1.462
686 1HG2 THR 86 1HG2 THR 86 25.449 -1.442 2.915
687 2HG2 THR 86 2HG2 THR 86 24.848 0.215 3.015
688 3HG2 THR 86 3HG2 THR 86 24.827 -0.643 1.474
689 H HIS 87 H HIS 87 21.486 -3.989 0.675
690 HA HIS 87 HA HIS 87 21.391 -2.206 -1.492
691 1HB HIS 87 2HB HIS 87 22.531 -3.557 -3.214
692 2HB HIS 87 1HB HIS 87 23.639 -2.986 -1.971
693 HD1 HIS 87 HD1 HIS 87 22.038 -6.103 -3.303
694 HD2 HIS 87 HD2 HIS 87 24.711 -4.987 -0.327
695 HE1 HIS 87 HE1 HIS 87 23.023 -8.238 -2.423
696 HE2 HIS 87 HE2 HIS 87 24.717 -7.544 -0.687
697 H GLU 88 H GLU 88 19.796 -4.306 0.195
698 HA GLU 88 HA GLU 88 18.614 -5.776 -2.051
699 1HB GLU 88 2HB GLU 88 19.233 -7.024 0.026
700 2HB GLU 88 1HB GLU 88 18.017 -6.096 0.888
701 1HG GLU 88 2HG GLU 88 16.259 -7.115 -0.262
702 2HG GLU 88 1HG GLU 88 17.324 -7.720 -1.532
703 H HIS 89 H HIS 89 16.707 -5.329 -2.844
704 HA HIS 89 HA HIS 89 15.435 -2.879 -2.268
705 1HB HIS 89 2HB HIS 89 14.373 -5.348 -3.663
706 2HB HIS 89 1HB HIS 89 13.581 -3.778 -3.673
707 HD1 HIS 89 HD1 HIS 89 17.238 -3.559 -3.993
708 HD2 HIS 89 HD2 HIS 89 13.982 -3.971 -6.546
709 HE1 HIS 89 HE1 HIS 89 18.082 -2.919 -6.269
710 HE2 HIS 89 HE2 HIS 89 16.124 -3.266 -7.824
711 H TYR 90 H TYR 90 13.816 -2.367 -0.826
712 HA TYR 90 HA TYR 90 12.557 -4.488 0.701
713 1HB TYR 90 2HB TYR 90 13.470 -3.921 2.811
714 2HB TYR 90 1HB TYR 90 14.852 -4.015 1.722
715 HD1 TYR 90 HD1 TYR 90 15.716 -1.779 0.730
716 HD2 TYR 90 HD2 TYR 90 13.109 -2.017 4.086
717 HE1 TYR 90 HE1 TYR 90 16.357 0.502 1.394
718 HE2 TYR 90 HE2 TYR 90 13.745 0.256 4.755
719 HH TYR 90 HH TYR 90 15.585 1.831 4.438
720 H GLY 91 H GLY 91 10.956 -3.678 2.214
721 1HA GLY 91 2HA GLY 91 10.321 -0.831 2.065
722 2HA GLY 91 1HA GLY 91 9.096 -1.943 1.458
723 H ILE 92 H ILE 92 8.119 -0.546 3.371
724 HA ILE 92 HA ILE 92 8.508 -2.035 5.880
725 HB ILE 92 HB ILE 92 7.325 0.727 5.536
726 1HG1 ILE 92 2HG1 ILE 92 10.055 -0.094 6.560
727 2HG1 ILE 92 1HG1 ILE 92 9.741 0.644 4.994
728 1HG2 ILE 92 1HG2 ILE 92 8.115 -0.797 8.021
729 2HG2 ILE 92 2HG2 ILE 92 6.466 -0.469 7.486
730 3HG2 ILE 92 3HG2 ILE 92 7.517 0.861 7.975
731 1HD1 ILE 92 1HD1 ILE 92 8.957 2.664 6.091
732 2HD1 ILE 92 2HD1 ILE 92 10.595 2.254 6.600
733 3HD1 ILE 92 3HD1 ILE 92 9.232 1.925 7.669
734 HA PRO 93 HA PRO 93 4.538 -3.823 4.825
735 1HB PRO 93 2HB PRO 93 4.797 -4.908 7.569
736 2HB PRO 93 1HB PRO 93 4.547 -5.755 6.039
737 1HG PRO 93 2HG PRO 93 6.905 -5.827 7.269
738 2HG PRO 93 1HG PRO 93 6.796 -5.717 5.504
739 1HD PRO 93 2HD PRO 93 7.381 -3.564 7.504
740 2HD PRO 93 1HD PRO 93 8.139 -3.868 5.927
741 H HIS 94 H HIS 94 2.728 -2.704 4.921
742 HA HIS 94 HA HIS 94 1.728 -1.855 7.562
743 1HB HIS 94 2HB HIS 94 1.299 -0.544 4.869
744 2HB HIS 94 1HB HIS 94 0.371 -0.141 6.307
745 HD1 HIS 94 HD1 HIS 94 4.029 -0.205 5.247
746 HD2 HIS 94 HD2 HIS 94 1.420 1.930 7.674
747 HE1 HIS 94 HE1 HIS 94 5.361 1.728 6.129
748 HE2 HIS 94 HE2 HIS 94 3.690 3.131 7.401
749 H GLY 95 H GLY 95 -0.746 -1.731 7.523
750 1HA GLY 95 2HA GLY 95 -2.233 -3.229 5.640
751 2HA GLY 95 1HA GLY 95 -1.796 -4.266 6.991
752 H PHE 96 H PHE 96 -4.448 -3.690 6.379
753 HA PHE 96 HA PHE 96 -5.303 -2.015 8.618
754 1HB PHE 96 2HB PHE 96 -6.364 -1.543 5.824
755 2HB PHE 96 1HB PHE 96 -6.710 -0.604 7.273
756 HD1 PHE 96 HD1 PHE 96 -4.893 0.792 8.284
757 HD2 PHE 96 HD2 PHE 96 -4.490 -1.099 4.494
758 HE1 PHE 96 HE1 PHE 96 -3.005 2.275 7.745
759 HE2 PHE 96 HE2 PHE 96 -2.610 0.381 3.951
760 HZ PHE 96 HZ PHE 96 -1.862 2.069 5.577
761 H SER 97 H SER 97 -7.982 -1.898 8.098
762 HA SER 97 HA SER 97 -8.952 -4.542 7.411
763 1HB SER 97 2HB SER 97 -9.278 -3.429 10.211
764 2HB SER 97 1HB SER 97 -10.010 -4.914 9.603
765 HG SER 97 HG SER 97 -7.352 -4.927 9.161
766 H SER 98 H SER 98 -9.283 -1.534 6.806
767 HA SER 98 HA SER 98 -12.146 -1.632 6.490
768 1HB SER 98 2HB SER 98 -10.857 0.554 8.144
769 2HB SER 98 1HB SER 98 -12.531 0.561 7.589
770 HG SER 98 HG SER 98 -12.085 -1.763 8.786
771 H ARG 99 H ARG 99 -12.872 -0.372 4.826
772 HA ARG 99 HA ARG 99 -11.070 0.330 2.789
773 1HB ARG 99 2HB ARG 99 -13.899 1.346 3.134
774 2HB ARG 99 1HB ARG 99 -12.986 1.272 1.634
775 1HG ARG 99 2HG ARG 99 -13.031 -1.134 1.670
776 2HG ARG 99 1HG ARG 99 -13.817 -1.127 3.251
777 1HD ARG 99 2HD ARG 99 -15.519 -1.515 1.639
778 2HD ARG 99 1HD ARG 99 -15.708 0.147 2.191
779 HE ARG 99 HE ARG 99 -14.557 -0.664 -0.403
780 1HH1 ARG 99 1HH1 ARG 99 -16.083 1.740 1.649
781 2HH1 ARG 99 2HH1 ARG 99 -16.415 2.834 0.335
782 1HH2 ARG 99 1HH2 ARG 99 -15.047 0.756 -2.138
783 2HH2 ARG 99 2HH2 ARG 99 -15.875 2.256 -1.816
784 H ILE 100 H ILE 100 -13.099 2.420 4.819
785 HA ILE 100 HA ILE 100 -12.060 4.857 3.920
786 HB ILE 100 HB ILE 100 -14.191 4.737 5.075
787 1HG1 ILE 100 2HG1 ILE 100 -13.939 6.649 6.608
788 2HG1 ILE 100 1HG1 ILE 100 -12.198 6.394 6.642
789 1HG2 ILE 100 1HG2 ILE 100 -13.670 2.961 6.644
790 2HG2 ILE 100 2HG2 ILE 100 -14.341 4.362 7.481
791 3HG2 ILE 100 3HG2 ILE 100 -12.606 4.046 7.539
792 1HD1 ILE 100 1HD1 ILE 100 -12.833 8.239 5.178
793 2HD1 ILE 100 2HD1 ILE 100 -13.803 7.130 4.206
794 3HD1 ILE 100 3HD1 ILE 100 -12.053 6.933 4.286
795 H ALA 101 H ALA 101 -10.927 2.657 6.406
796 HA ALA 101 HA ALA 101 -9.183 4.355 7.782
797 1HB ALA 101 1HB ALA 101 -7.963 2.317 8.414
798 2HB ALA 101 2HB ALA 101 -8.870 1.409 7.205
799 3HB ALA 101 3HB ALA 101 -9.707 2.120 8.587
800 H LEU 102 H LEU 102 -8.448 2.140 5.084
801 HA LEU 102 HA LEU 102 -5.831 3.041 4.627
802 1HB LEU 102 2HB LEU 102 -6.568 0.970 3.681
803 2HB LEU 102 1HB LEU 102 -7.869 1.758 2.815
804 HG LEU 102 HG LEU 102 -6.253 2.848 1.334
805 1HD1 LEU 102 1HD1 LEU 102 -4.392 3.073 2.874
806 2HD1 LEU 102 2HD1 LEU 102 -3.886 2.226 1.411
807 3HD1 LEU 102 3HD1 LEU 102 -4.179 1.324 2.899
808 1HD2 LEU 102 1HD2 LEU 102 -7.144 0.655 0.722
809 2HD2 LEU 102 2HD2 LEU 102 -5.805 -0.125 1.565
810 3HD2 LEU 102 3HD2 LEU 102 -5.491 0.867 0.143
811 H GLU 103 H GLU 103 -8.929 4.093 3.361
812 HA GLU 103 HA GLU 103 -8.066 5.788 1.330
813 1HB GLU 103 2HB GLU 103 -10.462 4.950 2.177
814 2HB GLU 103 1HB GLU 103 -10.470 6.551 2.902
815 1HG GLU 103 2HG GLU 103 -10.127 7.573 0.740
816 2HG GLU 103 1HG GLU 103 -10.015 5.983 -0.016
817 H ARG 104 H ARG 104 -8.885 6.604 4.714
818 HA ARG 104 HA ARG 104 -8.247 9.361 4.399
819 1HB ARG 104 2HB ARG 104 -8.470 9.513 6.820
820 2HB ARG 104 1HB ARG 104 -9.802 8.616 6.115
821 1HG ARG 104 2HG ARG 104 -8.868 6.538 6.859
822 2HG ARG 104 1HG ARG 104 -7.411 7.355 7.423
823 1HD ARG 104 2HD ARG 104 -10.188 7.845 8.472
824 2HD ARG 104 1HD ARG 104 -8.982 6.820 9.247
825 HE ARG 104 HE ARG 104 -7.599 9.013 9.226
826 1HH1 ARG 104 1HH1 ARG 104 -11.072 8.827 9.589
827 2HH1 ARG 104 2HH1 ARG 104 -11.173 10.206 10.646
828 1HH2 ARG 104 1HH2 ARG 104 -7.717 10.838 10.619
829 2HH2 ARG 104 2HH2 ARG 104 -9.259 11.333 11.259
830 H TYR 105 H TYR 105 -6.367 6.560 5.249
831 HA TYR 105 HA TYR 105 -4.169 8.043 6.288
832 1HB TYR 105 2HB TYR 105 -4.406 5.193 5.324
833 2HB TYR 105 1HB TYR 105 -2.936 5.872 6.005
834 HD1 TYR 105 HD1 TYR 105 -4.604 7.650 8.020
835 HD2 TYR 105 HD2 TYR 105 -4.523 3.503 7.096
836 HE1 TYR 105 HE1 TYR 105 -5.430 7.137 10.281
837 HE2 TYR 105 HE2 TYR 105 -5.351 2.976 9.351
838 HH TYR 105 HH TYR 105 -5.370 4.032 11.602
839 H LEU 106 H LEU 106 -4.976 6.686 3.101
840 HA LEU 106 HA LEU 106 -2.664 7.517 1.733
841 1HB LEU 106 2HB LEU 106 -5.522 7.455 0.747
842 2HB LEU 106 1HB LEU 106 -4.110 7.610 -0.280
843 HG LEU 106 HG LEU 106 -4.767 5.210 1.432
844 1HD1 LEU 106 1HD1 LEU 106 -6.326 5.465 -0.426
845 2HD1 LEU 106 2HD1 LEU 106 -5.240 4.102 -0.701
846 3HD1 LEU 106 3HD1 LEU 106 -4.976 5.624 -1.550
847 1HD2 LEU 106 1HD2 LEU 106 -2.374 5.473 1.149
848 2HD2 LEU 106 2HD2 LEU 106 -2.577 5.684 -0.590
849 3HD2 LEU 106 3HD2 LEU 106 -2.953 4.132 0.159
850 H ASN 107 H ASN 107 -5.685 9.124 2.441
851 HA ASN 107 HA ASN 107 -5.352 11.615 1.303
852 1HB ASN 107 2HB ASN 107 -7.412 10.884 2.367
853 2HB ASN 107 1HB ASN 107 -6.631 10.834 3.930
854 1HD2 ASN 107 1HD2 ASN 107 -6.304 12.707 5.064
855 2HD2 ASN 107 2HD2 ASN 107 -7.019 14.218 4.609
856 H GLY 108 H GLY 108 -4.615 10.706 4.638
857 1HA GLY 108 2HA GLY 108 -3.392 13.169 5.313
858 2HA GLY 108 1HA GLY 108 -3.283 11.684 6.239
859 H LEU 109 H LEU 109 -1.887 9.996 4.654
860 HA LEU 109 HA LEU 109 0.731 10.805 5.270
861 1HB LEU 109 2HB LEU 109 0.066 8.469 5.195
862 2HB LEU 109 1HB LEU 109 -0.230 8.583 3.471
863 HG LEU 109 HG LEU 109 2.186 9.008 3.110
864 1HD1 LEU 109 1HD1 LEU 109 3.754 8.588 4.930
865 2HD1 LEU 109 2HD1 LEU 109 2.407 8.416 6.055
866 3HD1 LEU 109 3HD1 LEU 109 2.718 9.969 5.281
867 1HD2 LEU 109 1HD2 LEU 109 1.290 6.757 2.899
868 2HD2 LEU 109 2HD2 LEU 109 1.534 6.483 4.624
869 3HD2 LEU 109 3HD2 LEU 109 2.922 6.721 3.562
870 H PHE 110 H PHE 110 -0.769 10.361 2.058
871 HA PHE 110 HA PHE 110 1.569 11.530 0.811
872 1HB PHE 110 2HB PHE 110 -0.991 10.463 -0.403
873 2HB PHE 110 1HB PHE 110 0.409 11.019 -1.317
874 HD1 PHE 110 HD1 PHE 110 -1.185 8.212 -0.026
875 HD2 PHE 110 HD2 PHE 110 2.690 9.871 -0.577
876 HE1 PHE 110 HE1 PHE 110 -0.206 5.960 0.124
877 HE2 PHE 110 HE2 PHE 110 3.679 7.623 -0.431
878 HZ PHE 110 HZ PHE 110 2.228 5.666 -0.082
879 H GLY 111 H GLY 111 -1.923 12.230 0.926
880 1HA GLY 111 2HA GLY 111 -3.062 14.213 0.752
881 2HA GLY 111 1HA GLY 111 -1.549 15.031 1.122
882 H ASP 112 H ASP 112 -2.709 13.038 -1.598
883 HA ASP 112 HA ASP 112 -1.370 14.819 -3.429
884 1HB ASP 112 2HB ASP 112 -1.192 12.244 -3.427
885 2HB ASP 112 1HB ASP 112 -2.833 12.256 -4.058
Start of MODEL 4
1 1H MET 1 1HT MET 1 -10.509 -6.516 11.857
2 2H MET 1 2HT MET 1 -9.112 -6.898 12.738
3 3H MET 1 3HT MET 1 -10.464 -7.918 12.811
4 HA MET 1 HA MET 1 -8.827 -8.907 11.402
5 1HB MET 1 2HB MET 1 -11.204 -7.730 9.950
6 2HB MET 1 1HB MET 1 -10.150 -8.938 9.233
7 1HG MET 1 2HG MET 1 -11.770 -9.288 11.743
8 2HG MET 1 1HG MET 1 -12.169 -9.936 10.153
9 1HE MET 1 1HE MET 1 -11.165 -13.157 12.120
10 2HE MET 1 2HE MET 1 -12.398 -12.378 11.128
11 3HE MET 1 3HE MET 1 -12.041 -11.757 12.741
12 H TYR 2 H TYR 2 -8.528 -8.442 8.669
13 HA TYR 2 HA TYR 2 -7.152 -5.856 8.547
14 1HB TYR 2 2HB TYR 2 -6.120 -8.498 7.533
15 2HB TYR 2 1HB TYR 2 -5.343 -6.953 7.249
16 HD1 TYR 2 HD1 TYR 2 -4.245 -5.763 9.110
17 HD2 TYR 2 HD2 TYR 2 -5.882 -9.656 9.613
18 HE1 TYR 2 HE1 TYR 2 -2.943 -6.035 11.175
19 HE2 TYR 2 HE2 TYR 2 -4.588 -9.938 11.684
20 HH TYR 2 HH TYR 2 -2.455 -8.988 12.659
21 H LEU 3 H LEU 3 -6.221 -6.183 5.909
22 HA LEU 3 HA LEU 3 -8.724 -6.431 4.373
23 1HB LEU 3 2HB LEU 3 -6.402 -4.569 3.844
24 2HB LEU 3 1HB LEU 3 -7.850 -4.702 2.866
25 HG LEU 3 HG LEU 3 -7.750 -3.724 5.721
26 1HD1 LEU 3 1HD1 LEU 3 -8.306 -1.541 4.723
27 2HD1 LEU 3 2HD1 LEU 3 -8.105 -2.245 3.118
28 3HD1 LEU 3 3HD1 LEU 3 -6.726 -2.135 4.212
29 1HD2 LEU 3 1HD2 LEU 3 -10.026 -3.871 3.748
30 2HD2 LEU 3 2HD2 LEU 3 -10.085 -3.074 5.320
31 3HD2 LEU 3 3HD2 LEU 3 -9.857 -4.819 5.226
32 H ARG 4 H ARG 4 -8.636 -7.664 2.537
33 HA ARG 4 HA ARG 4 -6.516 -9.475 2.120
34 1HB ARG 4 2HB ARG 4 -8.614 -8.600 0.122
35 2HB ARG 4 1HB ARG 4 -7.638 -10.052 0.026
36 1HG ARG 4 2HG ARG 4 -8.755 -11.001 1.919
37 2HG ARG 4 1HG ARG 4 -9.629 -9.491 2.212
38 1HD ARG 4 2HD ARG 4 -10.735 -9.706 0.048
39 2HD ARG 4 1HD ARG 4 -9.850 -11.196 -0.266
40 HE ARG 4 HE ARG 4 -11.088 -12.209 1.582
41 1HH1 ARG 4 1HH1 ARG 4 -12.292 -9.144 0.385
42 2HH1 ARG 4 2HH1 ARG 4 -13.951 -9.497 0.765
43 1HH2 ARG 4 1HH2 ARG 4 -13.263 -12.684 2.080
44 2HH2 ARG 4 2HH2 ARG 4 -14.504 -11.504 1.764
45 HA PRO 5 HA PRO 5 -3.583 -7.200 -0.347
46 1HB PRO 5 2HB PRO 5 -3.118 -9.067 -2.355
47 2HB PRO 5 1HB PRO 5 -2.289 -9.035 -0.792
48 1HG PRO 5 2HG PRO 5 -4.611 -10.694 -1.678
49 2HG PRO 5 1HG PRO 5 -3.234 -11.142 -0.653
50 1HD PRO 5 2HD PRO 5 -5.650 -10.626 0.395
51 2HD PRO 5 1HD PRO 5 -4.159 -10.143 1.233
52 H ASP 6 H ASP 6 -5.848 -9.111 -2.353
53 HA ASP 6 HA ASP 6 -6.014 -7.278 -4.475
54 1HB ASP 6 2HB ASP 6 -7.914 -8.523 -5.248
55 2HB ASP 6 1HB ASP 6 -6.749 -9.662 -4.588
56 H GLU 7 H GLU 7 -7.713 -7.428 -1.413
57 HA GLU 7 HA GLU 7 -9.835 -5.665 -2.032
58 1HB GLU 7 2HB GLU 7 -9.756 -7.173 -0.046
59 2HB GLU 7 1HB GLU 7 -8.525 -6.136 0.657
60 1HG GLU 7 2HG GLU 7 -10.511 -5.511 1.698
61 2HG GLU 7 1HG GLU 7 -10.229 -4.263 0.487
62 H VAL 8 H VAL 8 -6.627 -5.152 -0.613
63 HA VAL 8 HA VAL 8 -6.777 -2.378 -0.235
64 HB VAL 8 HB VAL 8 -4.352 -4.048 -0.946
65 1HG1 VAL 8 1HG1 VAL 8 -3.948 -1.678 -1.359
66 2HG1 VAL 8 2HG1 VAL 8 -3.034 -2.238 0.043
67 3HG1 VAL 8 3HG1 VAL 8 -4.503 -1.292 0.272
68 1HG2 VAL 8 1HG2 VAL 8 -3.920 -4.016 1.478
69 2HG2 VAL 8 2HG2 VAL 8 -5.437 -4.824 1.080
70 3HG2 VAL 8 3HG2 VAL 8 -5.454 -3.183 1.726
71 H ALA 9 H ALA 9 -5.862 -4.295 -3.053
72 HA ALA 9 HA ALA 9 -5.060 -2.214 -4.745
73 1HB ALA 9 1HB ALA 9 -4.652 -4.581 -5.217
74 2HB ALA 9 2HB ALA 9 -5.441 -3.774 -6.571
75 3HB ALA 9 3HB ALA 9 -6.376 -4.819 -5.503
76 H ARG 10 H ARG 10 -8.264 -3.541 -4.060
77 HA ARG 10 HA ARG 10 -9.715 -2.221 -6.060
78 1HB ARG 10 2HB ARG 10 -10.697 -2.822 -3.267
79 2HB ARG 10 1HB ARG 10 -11.681 -2.596 -4.703
80 1HG ARG 10 2HG ARG 10 -10.797 -4.643 -5.657
81 2HG ARG 10 1HG ARG 10 -9.750 -4.859 -4.250
82 1HD ARG 10 2HD ARG 10 -11.888 -4.785 -2.861
83 2HD ARG 10 1HD ARG 10 -12.751 -4.981 -4.385
84 HE ARG 10 HE ARG 10 -10.718 -6.967 -3.977
85 1HH1 ARG 10 1HH1 ARG 10 -14.033 -6.084 -3.311
86 2HH1 ARG 10 2HH1 ARG 10 -14.544 -7.709 -2.965
87 1HH2 ARG 10 1HH2 ARG 10 -11.338 -9.097 -3.480
88 2HH2 ARG 10 2HH2 ARG 10 -12.996 -9.436 -3.054
89 H VAL 11 H VAL 11 -8.997 -1.255 -2.727
90 HA VAL 11 HA VAL 11 -10.370 1.192 -2.743
91 HB VAL 11 HB VAL 11 -7.888 0.508 -1.155
92 1HG1 VAL 11 1HG1 VAL 11 -10.090 2.498 -0.609
93 2HG1 VAL 11 2HG1 VAL 11 -8.447 2.886 -1.121
94 3HG1 VAL 11 3HG1 VAL 11 -8.729 2.142 0.454
95 1HG2 VAL 11 1HG2 VAL 11 -9.580 -1.202 -0.836
96 2HG2 VAL 11 2HG2 VAL 11 -10.794 0.032 -0.503
97 3HG2 VAL 11 3HG2 VAL 11 -9.448 -0.204 0.611
98 H LEU 12 H LEU 12 -7.027 0.386 -3.569
99 HA LEU 12 HA LEU 12 -6.069 2.978 -3.980
100 1HB LEU 12 2HB LEU 12 -5.274 0.396 -5.330
101 2HB LEU 12 1HB LEU 12 -4.371 1.894 -5.446
102 HG LEU 12 HG LEU 12 -4.863 0.348 -2.896
103 1HD1 LEU 12 1HD1 LEU 12 -3.336 -0.815 -4.387
104 2HD1 LEU 12 2HD1 LEU 12 -2.470 -0.146 -3.004
105 3HD1 LEU 12 3HD1 LEU 12 -2.378 0.654 -4.575
106 1HD2 LEU 12 1HD2 LEU 12 -3.215 2.812 -3.446
107 2HD2 LEU 12 2HD2 LEU 12 -3.226 1.909 -1.930
108 3HD2 LEU 12 3HD2 LEU 12 -4.688 2.730 -2.479
109 H GLU 13 H GLU 13 -7.315 0.665 -6.410
110 HA GLU 13 HA GLU 13 -7.183 2.415 -8.583
111 1HB GLU 13 2HB GLU 13 -8.949 0.024 -8.083
112 2HB GLU 13 1HB GLU 13 -8.840 0.857 -9.623
113 1HG GLU 13 2HG GLU 13 -6.339 0.401 -9.510
114 2HG GLU 13 1HG GLU 13 -6.731 -0.723 -8.208
115 H LYS 14 H LYS 14 -9.638 1.995 -6.124
116 HA LYS 14 HA LYS 14 -11.720 3.443 -7.379
117 1HB LYS 14 2HB LYS 14 -11.803 1.971 -5.276
118 2HB LYS 14 1HB LYS 14 -11.222 3.377 -4.411
119 1HG LYS 14 2HG LYS 14 -13.628 3.212 -4.228
120 2HG LYS 14 1HG LYS 14 -13.173 4.651 -5.143
121 1HD LYS 14 2HD LYS 14 -13.602 3.409 -7.238
122 2HD LYS 14 1HD LYS 14 -14.149 2.033 -6.279
123 1HE LYS 14 2HE LYS 14 -15.371 4.787 -6.230
124 2HE LYS 14 1HE LYS 14 -16.006 3.415 -7.132
125 1HZ LYS 14 1HZ LYS 14 -17.143 3.748 -5.010
126 2HZ LYS 14 2HZ LYS 14 -15.684 3.501 -4.179
127 3HZ LYS 14 3HZ LYS 14 -16.373 2.239 -5.080
128 H ALA 15 H ALA 15 -9.109 4.341 -5.222
129 HA ALA 15 HA ALA 15 -9.765 7.096 -5.001
130 1HB ALA 15 1HB ALA 15 -7.100 5.746 -4.577
131 2HB ALA 15 2HB ALA 15 -8.367 5.927 -3.363
132 3HB ALA 15 3HB ALA 15 -7.556 7.353 -4.011
133 H GLY 16 H GLY 16 -8.456 5.329 -7.581
134 1HA GLY 16 2HA GLY 16 -8.278 6.496 -9.706
135 2HA GLY 16 1HA GLY 16 -7.572 7.850 -8.839
136 H PHE 17 H PHE 17 -6.356 5.046 -7.564
137 HA PHE 17 HA PHE 17 -3.771 5.456 -8.739
138 1HB PHE 17 2HB PHE 17 -4.923 3.579 -6.717
139 2HB PHE 17 1HB PHE 17 -3.357 3.237 -7.419
140 HD1 PHE 17 HD1 PHE 17 -1.425 4.489 -6.806
141 HD2 PHE 17 HD2 PHE 17 -5.268 5.561 -5.329
142 HE1 PHE 17 HE1 PHE 17 -0.369 5.968 -5.145
143 HE2 PHE 17 HE2 PHE 17 -4.223 7.043 -3.667
144 HZ PHE 17 HZ PHE 17 -1.771 7.248 -3.572
145 H THR 18 H THR 18 -2.573 3.901 -9.953
146 HA THR 18 HA THR 18 -4.122 1.719 -11.152
147 HB THR 18 HB THR 18 -3.024 2.203 -13.369
148 HG1 THR 18 HG1 THR 18 -1.970 4.252 -11.872
149 1HG2 THR 18 1HG2 THR 18 -4.899 4.315 -12.299
150 2HG2 THR 18 2HG2 THR 18 -5.365 2.761 -12.996
151 3HG2 THR 18 3HG2 THR 18 -4.592 3.987 -14.003
152 H VAL 19 H VAL 19 -2.856 -0.063 -11.854
153 HA VAL 19 HA VAL 19 -0.361 -0.290 -10.402
154 HB VAL 19 HB VAL 19 -2.082 -2.129 -10.503
155 1HG1 VAL 19 1HG1 VAL 19 -1.004 -2.489 -13.294
156 2HG1 VAL 19 2HG1 VAL 19 -2.651 -2.038 -12.850
157 3HG1 VAL 19 3HG1 VAL 19 -2.032 -3.638 -12.439
158 1HG2 VAL 19 1HG2 VAL 19 0.151 -2.563 -9.696
159 2HG2 VAL 19 2HG2 VAL 19 0.734 -2.796 -11.345
160 3HG2 VAL 19 3HG2 VAL 19 -0.417 -3.935 -10.645
161 H ASP 20 H ASP 20 1.657 -0.599 -11.258
162 HA ASP 20 HA ASP 20 1.978 0.086 -14.105
163 1HB ASP 20 2HB ASP 20 3.119 1.642 -12.650
164 2HB ASP 20 1HB ASP 20 3.864 0.325 -11.753
165 H VAL 21 H VAL 21 3.681 -1.801 -11.629
166 HA VAL 21 HA VAL 21 4.197 -3.883 -13.646
167 HB VAL 21 HB VAL 21 6.218 -2.828 -12.637
168 1HG1 VAL 21 1HG1 VAL 21 5.243 -4.071 -10.061
169 2HG1 VAL 21 2HG1 VAL 21 5.337 -2.346 -10.411
170 3HG1 VAL 21 3HG1 VAL 21 6.812 -3.306 -10.311
171 1HG2 VAL 21 1HG2 VAL 21 5.797 -5.740 -11.985
172 2HG2 VAL 21 2HG2 VAL 21 7.362 -4.932 -12.046
173 3HG2 VAL 21 3HG2 VAL 21 6.385 -5.070 -13.506
174 H VAL 22 H VAL 22 3.603 -6.018 -13.188
175 HA VAL 22 HA VAL 22 2.511 -6.450 -10.496
176 HB VAL 22 HB VAL 22 0.728 -7.761 -11.208
177 1HG1 VAL 22 1HG1 VAL 22 -0.547 -6.392 -12.779
178 2HG1 VAL 22 2HG1 VAL 22 0.926 -5.522 -13.202
179 3HG1 VAL 22 3HG1 VAL 22 0.284 -5.424 -11.564
180 1HG2 VAL 22 1HG2 VAL 22 0.356 -8.485 -13.549
181 2HG2 VAL 22 2HG2 VAL 22 1.799 -9.185 -12.812
182 3HG2 VAL 22 3HG2 VAL 22 1.950 -7.850 -13.960
183 H THR 23 H THR 23 3.460 -7.985 -9.416
184 HA THR 23 HA THR 23 4.615 -10.258 -10.876
185 HB THR 23 HB THR 23 6.408 -10.420 -9.184
186 HG1 THR 23 HG1 THR 23 5.183 -8.053 -8.205
187 1HG2 THR 23 1HG2 THR 23 7.768 -8.515 -9.919
188 2HG2 THR 23 2HG2 THR 23 6.320 -7.729 -10.551
189 3HG2 THR 23 3HG2 THR 23 6.888 -9.237 -11.267
190 H ASN 24 H ASN 24 4.544 -12.262 -9.597
191 HA ASN 24 HA ASN 24 2.062 -12.462 -8.256
192 1HB ASN 24 2HB ASN 24 2.624 -14.802 -7.840
193 2HB ASN 24 1HB ASN 24 3.026 -14.365 -9.494
194 1HD2 ASN 24 1HD2 ASN 24 5.149 -14.330 -10.137
195 2HD2 ASN 24 2HD2 ASN 24 6.429 -14.990 -9.170
196 H LYS 25 H LYS 25 5.135 -11.523 -7.190
197 HA LYS 25 HA LYS 25 4.653 -12.143 -4.400
198 1HB LYS 25 2HB LYS 25 6.857 -10.740 -5.880
199 2HB LYS 25 1HB LYS 25 6.764 -10.697 -4.124
200 1HG LYS 25 2HG LYS 25 6.774 -13.182 -4.131
201 2HG LYS 25 1HG LYS 25 7.056 -13.124 -5.873
202 1HD LYS 25 2HD LYS 25 9.168 -12.154 -5.614
203 2HD LYS 25 1HD LYS 25 8.835 -11.661 -3.950
204 1HE LYS 25 2HE LYS 25 9.087 -14.509 -4.897
205 2HE LYS 25 1HE LYS 25 10.367 -13.591 -4.109
206 1HZ LYS 25 1HZ LYS 25 7.710 -14.091 -2.876
207 2HZ LYS 25 2HZ LYS 25 9.091 -13.445 -2.127
208 3HZ LYS 25 3HZ LYS 25 9.070 -15.071 -2.611
209 H THR 26 H THR 26 4.330 -9.384 -6.551
210 HA THR 26 HA THR 26 2.892 -7.898 -4.584
211 HB THR 26 HB THR 26 5.178 -7.554 -3.734
212 HG1 THR 26 HG1 THR 26 4.146 -5.769 -3.222
213 1HG2 THR 26 1HG2 THR 26 5.706 -6.239 -6.401
214 2HG2 THR 26 2HG2 THR 26 6.407 -7.758 -5.843
215 3HG2 THR 26 3HG2 THR 26 6.803 -6.249 -5.019
216 H TYR 27 H TYR 27 1.872 -6.083 -5.413
217 HA TYR 27 HA TYR 27 2.119 -5.692 -8.314
218 1HB TYR 27 2HB TYR 27 -0.090 -5.024 -6.368
219 2HB TYR 27 1HB TYR 27 -0.058 -4.396 -8.008
220 HD1 TYR 27 HD1 TYR 27 1.294 -7.313 -8.754
221 HD2 TYR 27 HD2 TYR 27 -2.352 -5.899 -7.079
222 HE1 TYR 27 HE1 TYR 27 0.146 -9.332 -9.562
223 HE2 TYR 27 HE2 TYR 27 -3.509 -7.913 -7.876
224 HH TYR 27 HH TYR 27 -3.187 -9.608 -9.725
225 H GLY 28 H GLY 28 3.188 -3.972 -9.005
226 1HA GLY 28 2HA GLY 28 3.951 -1.900 -7.105
227 2HA GLY 28 1HA GLY 28 4.545 -2.080 -8.750
228 H TYR 29 H TYR 29 2.339 -0.528 -6.704
229 HA TYR 29 HA TYR 29 0.617 0.369 -8.884
230 1HB TYR 29 2HB TYR 29 0.422 0.154 -5.953
231 2HB TYR 29 1HB TYR 29 -0.369 1.552 -6.660
232 HD1 TYR 29 HD1 TYR 29 -2.405 1.316 -7.887
233 HD2 TYR 29 HD2 TYR 29 -0.237 -2.136 -6.674
234 HE1 TYR 29 HE1 TYR 29 -4.307 -0.100 -8.538
235 HE2 TYR 29 HE2 TYR 29 -2.131 -3.561 -7.320
236 HH TYR 29 HH TYR 29 -4.579 -3.339 -7.626
237 H ARG 30 H ARG 30 0.337 2.527 -9.446
238 HA ARG 30 HA ARG 30 2.314 4.413 -8.360
239 1HB ARG 30 2HB ARG 30 2.923 5.125 -10.635
240 2HB ARG 30 1HB ARG 30 3.338 3.440 -10.344
241 1HG ARG 30 2HG ARG 30 1.480 2.682 -11.626
242 2HG ARG 30 1HG ARG 30 0.826 4.315 -11.747
243 1HD ARG 30 2HD ARG 30 2.725 5.006 -13.092
244 2HD ARG 30 1HD ARG 30 3.454 3.406 -12.922
245 HE ARG 30 HE ARG 30 0.960 2.968 -13.993
246 1HH1 ARG 30 1HH1 ARG 30 3.795 4.795 -14.928
247 2HH1 ARG 30 2HH1 ARG 30 3.528 4.575 -16.630
248 1HH2 ARG 30 1HH2 ARG 30 0.561 2.747 -16.225
249 2HH2 ARG 30 2HH2 ARG 30 1.680 3.429 -17.372
250 H ARG 31 H ARG 31 1.734 6.497 -8.333
251 HA ARG 31 HA ARG 31 0.038 7.701 -10.227
252 1HB ARG 31 2HB ARG 31 -1.712 6.594 -8.777
253 2HB ARG 31 1HB ARG 31 -1.158 7.606 -7.448
254 1HG ARG 31 2HG ARG 31 -1.743 9.604 -8.705
255 2HG ARG 31 1HG ARG 31 -2.262 8.607 -10.065
256 1HD ARG 31 2HD ARG 31 -4.203 9.283 -8.845
257 2HD ARG 31 1HD ARG 31 -3.949 7.561 -8.568
258 HE ARG 31 HE ARG 31 -3.084 8.131 -6.373
259 1HH1 ARG 31 1HH1 ARG 31 -4.718 10.702 -8.091
260 2HH1 ARG 31 2HH1 ARG 31 -5.245 11.519 -6.645
261 1HH2 ARG 31 1HH2 ARG 31 -3.752 9.221 -4.455
262 2HH2 ARG 31 2HH2 ARG 31 -4.677 10.679 -4.587
263 H GLY 32 H GLY 32 1.570 9.247 -10.457
264 1HA GLY 32 2HA GLY 32 2.566 11.292 -9.905
265 2HA GLY 32 1HA GLY 32 1.995 11.098 -8.252
266 H GLU 33 H GLU 33 3.811 11.226 -7.020
267 HA GLU 33 HA GLU 33 6.143 9.647 -7.825
268 1HB GLU 33 2HB GLU 33 7.354 10.774 -6.057
269 2HB GLU 33 1HB GLU 33 6.513 11.969 -7.030
270 1HG GLU 33 2HG GLU 33 5.389 10.921 -4.456
271 2HG GLU 33 1HG GLU 33 6.494 12.290 -4.518
272 H ASN 34 H ASN 34 3.362 8.997 -6.457
273 HA ASN 34 HA ASN 34 4.309 7.550 -4.116
274 1HB ASN 34 2HB ASN 34 1.476 7.570 -5.158
275 2HB ASN 34 1HB ASN 34 2.031 7.274 -3.515
276 1HD2 ASN 34 1HD2 ASN 34 1.191 9.624 -5.873
277 2HD2 ASN 34 2HD2 ASN 34 1.323 11.015 -4.854
278 H TYR 35 H TYR 35 5.430 5.802 -4.829
279 HA TYR 35 HA TYR 35 3.994 3.904 -6.568
280 1HB TYR 35 2HB TYR 35 6.368 4.851 -7.199
281 2HB TYR 35 1HB TYR 35 6.940 3.704 -6.001
282 HD1 TYR 35 HD1 TYR 35 7.451 1.549 -6.682
283 HD2 TYR 35 HD2 TYR 35 4.763 3.861 -9.030
284 HE1 TYR 35 HE1 TYR 35 7.412 -0.230 -8.376
285 HE2 TYR 35 HE2 TYR 35 4.713 2.085 -10.735
286 HH TYR 35 HH TYR 35 6.017 0.204 -11.494
287 H VAL 36 H VAL 36 2.940 2.555 -5.257
288 HA VAL 36 HA VAL 36 4.306 1.627 -2.823
289 HB VAL 36 HB VAL 36 2.063 1.019 -1.962
290 1HG1 VAL 36 1HG1 VAL 36 1.331 3.297 -1.476
291 2HG1 VAL 36 2HG1 VAL 36 2.346 3.908 -2.782
292 3HG1 VAL 36 3HG1 VAL 36 3.088 3.154 -1.371
293 1HG2 VAL 36 1HG2 VAL 36 0.062 1.915 -3.079
294 2HG2 VAL 36 2HG2 VAL 36 0.887 0.706 -4.063
295 3HG2 VAL 36 3HG2 VAL 36 1.062 2.420 -4.441
296 H TYR 37 H TYR 37 4.273 -0.547 -2.280
297 HA TYR 37 HA TYR 37 3.830 -2.342 -4.577
298 1HB TYR 37 2HB TYR 37 5.799 -2.403 -2.297
299 2HB TYR 37 1HB TYR 37 5.427 -3.855 -3.218
300 HD1 TYR 37 HD1 TYR 37 6.737 -4.352 -5.028
301 HD2 TYR 37 HD2 TYR 37 6.443 -0.293 -3.795
302 HE1 TYR 37 HE1 TYR 37 8.390 -3.726 -6.730
303 HE2 TYR 37 HE2 TYR 37 8.094 0.358 -5.505
304 HH TYR 37 HH TYR 37 9.083 -1.806 -7.982
305 H VAL 38 H VAL 38 2.013 -3.478 -4.378
306 HA VAL 38 HA VAL 38 0.892 -4.023 -1.745
307 HB VAL 38 HB VAL 38 -0.185 -4.744 -4.478
308 1HG1 VAL 38 1HG1 VAL 38 -2.321 -5.079 -3.318
309 2HG1 VAL 38 2HG1 VAL 38 -1.523 -4.773 -1.774
310 3HG1 VAL 38 3HG1 VAL 38 -1.079 -6.186 -2.734
311 1HG2 VAL 38 1HG2 VAL 38 -0.886 -2.445 -2.658
312 2HG2 VAL 38 2HG2 VAL 38 -1.707 -2.847 -4.165
313 3HG2 VAL 38 3HG2 VAL 38 -0.019 -2.335 -4.190
314 H ASN 39 H ASN 39 1.830 -5.650 -0.708
315 HA ASN 39 HA ASN 39 3.232 -7.778 -1.917
316 1HB ASN 39 2HB ASN 39 3.613 -6.995 0.400
317 2HB ASN 39 1HB ASN 39 2.048 -7.646 0.861
318 1HD2 ASN 39 1HD2 ASN 39 4.273 -9.224 -1.367
319 2HD2 ASN 39 2HD2 ASN 39 4.645 -10.555 -0.329
320 H ARG 40 H ARG 40 2.360 -9.331 -3.098
321 HA ARG 40 HA ARG 40 -0.433 -9.969 -2.905
322 1HB ARG 40 2HB ARG 40 1.810 -10.779 -4.707
323 2HB ARG 40 1HB ARG 40 0.356 -11.776 -4.653
324 1HG ARG 40 2HG ARG 40 0.549 -8.867 -5.376
325 2HG ARG 40 1HG ARG 40 0.067 -10.219 -6.413
326 1HD ARG 40 2HD ARG 40 -1.419 -9.899 -3.901
327 2HD ARG 40 1HD ARG 40 -1.687 -8.645 -5.114
328 HE ARG 40 HE ARG 40 -2.553 -10.313 -6.582
329 1HH1 ARG 40 1HH1 ARG 40 -1.824 -11.571 -3.383
330 2HH1 ARG 40 2HH1 ARG 40 -2.912 -12.906 -3.533
331 1HH2 ARG 40 1HH2 ARG 40 -3.997 -12.052 -6.755
332 2HH2 ARG 40 2HH2 ARG 40 -4.162 -13.180 -5.437
333 H GLU 41 H GLU 41 2.369 -11.070 -1.447
334 HA GLU 41 HA GLU 41 1.352 -13.756 -0.999
335 1HB GLU 41 2HB GLU 41 3.945 -12.523 -0.071
336 2HB GLU 41 1HB GLU 41 3.551 -14.240 -0.180
337 1HG GLU 41 2HG GLU 41 3.462 -14.137 -2.566
338 2HG GLU 41 1HG GLU 41 3.619 -12.379 -2.547
339 H ALA 42 H ALA 42 0.672 -10.892 0.260
340 HA ALA 42 HA ALA 42 0.675 -11.694 3.065
341 1HB ALA 42 1HB ALA 42 -0.320 -9.511 3.496
342 2HB ALA 42 2HB ALA 42 -0.449 -9.210 1.762
343 3HB ALA 42 3HB ALA 42 1.140 -9.349 2.518
344 H ARG 43 H ARG 43 -0.587 -13.595 2.465
345 HA ARG 43 HA ARG 43 -3.158 -13.332 1.269
346 1HB ARG 43 2HB ARG 43 -1.862 -15.681 2.661
347 2HB ARG 43 1HB ARG 43 -3.326 -15.758 1.685
348 1HG ARG 43 2HG ARG 43 -2.143 -15.176 -0.291
349 2HG ARG 43 1HG ARG 43 -0.694 -14.767 0.626
350 1HD ARG 43 2HD ARG 43 -0.471 -17.121 1.293
351 2HD ARG 43 1HD ARG 43 -1.896 -17.516 0.329
352 HE ARG 43 HE ARG 43 -0.628 -16.812 -1.645
353 1HH1 ARG 43 1HH1 ARG 43 1.192 -17.566 1.273
354 2HH1 ARG 43 2HH1 ARG 43 2.675 -17.854 0.407
355 1HH2 ARG 43 1HH2 ARG 43 1.315 -17.206 -2.754
356 2HH2 ARG 43 2HH2 ARG 43 2.736 -17.666 -1.869
357 H MET 44 H MET 44 -2.025 -13.044 4.470
358 HA MET 44 HA MET 44 -4.756 -13.296 5.523
359 1HB MET 44 2HB MET 44 -2.089 -13.062 6.921
360 2HB MET 44 1HB MET 44 -3.632 -13.019 7.762
361 1HG MET 44 2HG MET 44 -2.586 -15.304 6.103
362 2HG MET 44 1HG MET 44 -2.621 -15.230 7.864
363 1HE MET 44 1HE MET 44 -3.929 -17.553 8.016
364 2HE MET 44 2HE MET 44 -3.816 -17.663 6.259
365 3HE MET 44 3HE MET 44 -5.368 -17.908 7.060
366 H GLY 45 H GLY 45 -3.016 -11.050 4.021
367 1HA GLY 45 2HA GLY 45 -3.284 -8.786 3.778
368 2HA GLY 45 1HA GLY 45 -4.648 -8.901 4.873
369 H ARG 46 H ARG 46 -1.552 -9.996 5.963
370 HA ARG 46 HA ARG 46 -1.591 -8.068 8.081
371 1HB ARG 46 2HB ARG 46 0.387 -10.238 7.377
372 2HB ARG 46 1HB ARG 46 0.457 -9.259 8.828
373 1HG ARG 46 2HG ARG 46 -1.775 -10.126 9.463
374 2HG ARG 46 1HG ARG 46 -1.708 -11.196 8.060
375 1HD ARG 46 2HD ARG 46 0.233 -11.164 10.371
376 2HD ARG 46 1HD ARG 46 -1.033 -12.359 10.098
377 HE ARG 46 HE ARG 46 0.507 -12.386 7.820
378 1HH1 ARG 46 1HH1 ARG 46 1.067 -12.916 11.232
379 2HH1 ARG 46 2HH1 ARG 46 2.353 -14.059 10.967
380 1HH2 ARG 46 1HH2 ARG 46 2.232 -13.880 7.484
381 2HH2 ARG 46 2HH2 ARG 46 3.012 -14.591 8.860
382 H THR 47 H THR 47 0.676 -8.848 5.453
383 HA THR 47 HA THR 47 2.045 -6.294 5.969
384 HB THR 47 HB THR 47 3.990 -7.400 4.818
385 HG1 THR 47 HG1 THR 47 3.246 -9.098 3.700
386 1HG2 THR 47 1HG2 THR 47 4.604 -8.822 6.719
387 2HG2 THR 47 2HG2 THR 47 2.925 -8.831 7.263
388 3HG2 THR 47 3HG2 THR 47 3.848 -7.326 7.274
389 H ALA 48 H ALA 48 -0.276 -6.314 4.394
390 HA ALA 48 HA ALA 48 0.189 -6.948 1.680
391 1HB ALA 48 1HB ALA 48 -1.975 -5.952 1.256
392 2HB ALA 48 2HB ALA 48 -1.974 -5.223 2.862
393 3HB ALA 48 3HB ALA 48 -2.028 -6.978 2.690
394 H LEU 49 H LEU 49 0.163 -3.793 3.369
395 HA LEU 49 HA LEU 49 0.740 -2.551 0.776
396 1HB LEU 49 2HB LEU 49 -1.201 -1.715 2.058
397 2HB LEU 49 1HB LEU 49 -0.116 -1.236 3.349
398 HG LEU 49 HG LEU 49 0.998 0.344 1.819
399 1HD1 LEU 49 1HD1 LEU 49 0.569 -0.827 -0.282
400 2HD1 LEU 49 2HD1 LEU 49 0.017 0.845 -0.353
401 3HD1 LEU 49 3HD1 LEU 49 -1.151 -0.458 -0.140
402 1HD2 LEU 49 1HD2 LEU 49 -0.833 1.963 1.679
403 2HD2 LEU 49 2HD2 LEU 49 -0.821 1.124 3.231
404 3HD2 LEU 49 3HD2 LEU 49 -1.993 0.673 1.993
405 H ILE 50 H ILE 50 2.768 -2.120 0.308
406 HA ILE 50 HA ILE 50 4.586 -1.272 2.471
407 HB ILE 50 HB ILE 50 5.471 -2.037 -0.301
408 1HG1 ILE 50 2HG1 ILE 50 4.207 -3.953 0.607
409 2HG1 ILE 50 1HG1 ILE 50 5.924 -4.307 0.486
410 1HG2 ILE 50 1HG2 ILE 50 6.851 -1.973 2.377
411 2HG2 ILE 50 2HG2 ILE 50 7.060 -0.827 1.054
412 3HG2 ILE 50 3HG2 ILE 50 7.592 -2.498 0.864
413 1HD1 ILE 50 1HD1 ILE 50 4.974 -5.189 2.530
414 2HD1 ILE 50 2HD1 ILE 50 4.447 -3.571 3.000
415 3HD1 ILE 50 3HD1 ILE 50 6.169 -3.939 2.882
416 H ILE 51 H ILE 51 5.086 0.862 2.525
417 HA ILE 51 HA ILE 51 4.185 2.449 0.222
418 HB ILE 51 HB ILE 51 3.852 4.303 1.901
419 1HG1 ILE 51 2HG1 ILE 51 3.364 3.281 4.269
420 2HG1 ILE 51 1HG1 ILE 51 4.517 2.049 3.774
421 1HG2 ILE 51 1HG2 ILE 51 2.216 1.790 2.215
422 2HG2 ILE 51 2HG2 ILE 51 2.010 3.027 0.974
423 3HG2 ILE 51 3HG2 ILE 51 1.703 3.415 2.667
424 1HD1 ILE 51 1HD1 ILE 51 6.210 3.784 3.444
425 2HD1 ILE 51 2HD1 ILE 51 5.591 3.766 5.096
426 3HD1 ILE 51 3HD1 ILE 51 5.050 5.005 3.963
427 H HIS 52 H HIS 52 6.946 1.383 0.716
428 HA HIS 52 HA HIS 52 9.061 2.084 0.206
429 1HB HIS 52 2HB HIS 52 8.059 3.664 -1.382
430 2HB HIS 52 1HB HIS 52 7.774 4.819 -0.091
431 HD1 HIS 52 HD1 HIS 52 10.032 5.837 1.019
432 HD2 HIS 52 HD2 HIS 52 10.457 3.938 -2.657
433 HE1 HIS 52 HE1 HIS 52 12.278 6.559 0.146
434 HE2 HIS 52 HE2 HIS 52 12.420 5.564 -2.177
435 HA PRO 53 HA PRO 53 10.742 3.277 4.210
436 1HB PRO 53 2HB PRO 53 13.090 4.162 2.624
437 2HB PRO 53 1HB PRO 53 13.009 3.033 3.980
438 1HG PRO 53 2HG PRO 53 13.382 2.172 1.478
439 2HG PRO 53 1HG PRO 53 12.397 1.256 2.633
440 1HD PRO 53 2HD PRO 53 11.537 2.990 0.360
441 2HD PRO 53 1HD PRO 53 10.828 1.476 0.955
442 H ARG 54 H ARG 54 12.455 5.294 4.741
443 HA ARG 54 HA ARG 54 12.673 7.520 5.099
444 1HB ARG 54 2HB ARG 54 12.803 7.909 2.714
445 2HB ARG 54 1HB ARG 54 11.051 7.831 2.572
446 1HG ARG 54 2HG ARG 54 10.840 9.838 3.943
447 2HG ARG 54 1HG ARG 54 12.592 9.912 4.111
448 1HD ARG 54 2HD ARG 54 12.714 10.075 1.606
449 2HD ARG 54 1HD ARG 54 10.964 10.252 1.604
450 HE ARG 54 HE ARG 54 11.270 12.299 2.916
451 1HH1 ARG 54 1HH1 ARG 54 14.047 11.024 1.199
452 2HH1 ARG 54 2HH1 ARG 54 14.881 12.544 1.140
453 1HH2 ARG 54 1HH2 ARG 54 12.371 14.302 2.867
454 2HH2 ARG 54 2HH2 ARG 54 13.917 14.414 2.087
455 H LEU 55 H LEU 55 9.396 6.727 4.033
456 HA LEU 55 HA LEU 55 8.180 8.713 5.714
457 1HB LEU 55 2HB LEU 55 7.068 6.497 4.001
458 2HB LEU 55 1HB LEU 55 6.064 7.616 4.905
459 HG LEU 55 HG LEU 55 8.006 8.399 2.731
460 1HD1 LEU 55 1HD1 LEU 55 4.990 8.263 2.713
461 2HD1 LEU 55 2HD1 LEU 55 6.076 7.169 1.856
462 3HD1 LEU 55 3HD1 LEU 55 6.008 8.875 1.408
463 1HD2 LEU 55 1HD2 LEU 55 7.831 10.171 4.274
464 2HD2 LEU 55 2HD2 LEU 55 6.087 9.941 4.454
465 3HD2 LEU 55 3HD2 LEU 55 6.748 10.575 2.939
466 H LYS 56 H LYS 56 9.762 6.591 7.037
467 HA LYS 56 HA LYS 56 8.117 4.598 8.122
468 1HB LYS 56 2HB LYS 56 10.588 4.520 8.127
469 2HB LYS 56 1HB LYS 56 10.615 5.812 9.319
470 1HG LYS 56 2HG LYS 56 9.716 4.443 10.992
471 2HG LYS 56 1HG LYS 56 9.189 3.223 9.826
472 1HD LYS 56 2HD LYS 56 11.503 2.660 9.338
473 2HD LYS 56 1HD LYS 56 12.064 3.922 10.437
474 1HE LYS 56 2HE LYS 56 10.318 1.638 11.316
475 2HE LYS 56 1HE LYS 56 12.079 1.559 11.338
476 1HZ LYS 56 1HZ LYS 56 11.225 2.204 13.487
477 2HZ LYS 56 2HZ LYS 56 10.404 3.526 12.811
478 3HZ LYS 56 3HZ LYS 56 12.102 3.487 12.805
479 H ASP 57 H ASP 57 9.459 7.364 9.970
480 HA ASP 57 HA ASP 57 7.502 7.030 12.014
481 1HB ASP 57 2HB ASP 57 9.442 9.275 11.462
482 2HB ASP 57 1HB ASP 57 8.380 9.234 12.867
483 H ARG 58 H ARG 58 7.668 8.986 9.143
484 HA ARG 58 HA ARG 58 5.590 10.786 9.634
485 1HB ARG 58 2HB ARG 58 6.972 11.035 7.678
486 2HB ARG 58 1HB ARG 58 6.498 9.456 7.076
487 1HG ARG 58 2HG ARG 58 5.359 11.102 5.789
488 2HG ARG 58 1HG ARG 58 4.175 10.316 6.828
489 1HD ARG 58 2HD ARG 58 4.151 12.180 8.324
490 2HD ARG 58 1HD ARG 58 5.509 12.935 7.491
491 HE ARG 58 HE ARG 58 3.650 12.720 5.536
492 1HH1 ARG 58 1HH1 ARG 58 3.539 14.042 8.781
493 2HH1 ARG 58 2HH1 ARG 58 2.337 15.237 8.390
494 1HH2 ARG 58 1HH2 ARG 58 2.090 14.283 5.017
495 2HH2 ARG 58 2HH2 ARG 58 1.510 15.370 6.242
496 H SER 59 H SER 59 5.446 7.659 7.945
497 HA SER 59 HA SER 59 2.660 7.519 7.795
498 1HB SER 59 2HB SER 59 3.737 6.106 6.320
499 2HB SER 59 1HB SER 59 4.882 5.536 7.530
500 HG SER 59 HG SER 59 2.355 4.899 8.246
501 H SER 60 H SER 60 4.890 6.510 10.334
502 HA SER 60 HA SER 60 3.169 4.850 11.784
503 1HB SER 60 2HB SER 60 5.426 6.593 12.783
504 2HB SER 60 1HB SER 60 4.657 5.308 13.714
505 HG SER 60 HG SER 60 6.647 4.751 12.534
506 H SER 61 H SER 61 3.241 8.329 11.576
507 HA SER 61 HA SER 61 1.695 8.770 13.955
508 1HB SER 61 2HB SER 61 2.219 10.583 11.588
509 2HB SER 61 1HB SER 61 1.482 11.083 13.111
510 HG SER 61 HG SER 61 3.784 9.781 13.608
511 H LEU 62 H LEU 62 0.947 7.448 11.018
512 HA LEU 62 HA LEU 62 -1.884 8.247 11.228
513 1HB LEU 62 2HB LEU 62 -0.339 7.443 8.760
514 2HB LEU 62 1HB LEU 62 -2.053 7.808 8.806
515 HG LEU 62 HG LEU 62 0.117 9.793 9.490
516 1HD1 LEU 62 1HD1 LEU 62 0.279 9.188 7.156
517 2HD1 LEU 62 2HD1 LEU 62 -0.413 10.802 7.314
518 3HD1 LEU 62 3HD1 LEU 62 -1.458 9.428 6.948
519 1HD2 LEU 62 1HD2 LEU 62 -1.692 11.430 9.307
520 2HD2 LEU 62 2HD2 LEU 62 -2.027 10.240 10.567
521 3HD2 LEU 62 3HD2 LEU 62 -2.842 10.127 9.007
522 H ALA 63 H ALA 63 0.186 5.673 9.919
523 HA ALA 63 HA ALA 63 -1.617 3.683 11.105
524 1HB ALA 63 1HB ALA 63 -1.487 2.318 9.083
525 2HB ALA 63 2HB ALA 63 -0.540 3.576 8.288
526 3HB ALA 63 3HB ALA 63 -2.214 3.889 8.746
527 H ASP 64 H ASP 64 -0.461 2.532 12.468
528 HA ASP 64 HA ASP 64 2.371 2.558 12.550
529 1HB ASP 64 2HB ASP 64 1.008 2.309 14.563
530 2HB ASP 64 1HB ASP 64 0.371 0.782 13.967
531 HA PRO 65 HA PRO 65 3.429 -0.520 9.541
532 1HB PRO 65 2HB PRO 65 5.676 -1.033 11.428
533 2HB PRO 65 1HB PRO 65 5.716 -0.696 9.694
534 1HG PRO 65 2HG PRO 65 6.402 1.182 11.442
535 2HG PRO 65 1HG PRO 65 5.460 1.591 9.996
536 1HD PRO 65 2HD PRO 65 4.555 1.306 12.830
537 2HD PRO 65 1HD PRO 65 4.030 2.462 11.589
538 H ALA 66 H ALA 66 3.310 -2.702 9.260
539 HA ALA 66 HA ALA 66 2.122 -4.222 11.429
540 1HB ALA 66 1HB ALA 66 2.670 -5.011 8.567
541 2HB ALA 66 2HB ALA 66 1.168 -4.304 9.163
542 3HB ALA 66 3HB ALA 66 1.672 -5.898 9.722
543 H SER 67 H SER 67 5.092 -3.465 11.064
544 HA SER 67 HA SER 67 6.342 -5.734 12.118
545 1HB SER 67 2HB SER 67 5.907 -6.550 9.772
546 2HB SER 67 1HB SER 67 6.978 -5.273 9.208
547 HG SER 67 HG SER 67 7.578 -7.703 10.217
548 H ASP 68 H ASP 68 8.440 -4.645 9.993
549 HA ASP 68 HA ASP 68 8.984 -2.005 11.054
550 1HB ASP 68 2HB ASP 68 10.101 -3.578 12.664
551 2HB ASP 68 1HB ASP 68 11.058 -4.193 11.326
552 H ILE 69 H ILE 69 10.824 -4.555 9.445
553 HA ILE 69 HA ILE 69 10.873 -2.933 7.012
554 HB ILE 69 HB ILE 69 13.327 -3.807 6.779
555 1HG1 ILE 69 2HG1 ILE 69 13.092 -3.616 9.774
556 2HG1 ILE 69 1HG1 ILE 69 13.122 -5.148 8.920
557 1HG2 ILE 69 1HG2 ILE 69 12.590 -1.508 8.582
558 2HG2 ILE 69 2HG2 ILE 69 12.711 -1.464 6.825
559 3HG2 ILE 69 3HG2 ILE 69 14.154 -1.731 7.802
560 1HD1 ILE 69 1HD1 ILE 69 15.355 -4.578 8.047
561 2HD1 ILE 69 2HD1 ILE 69 15.307 -4.628 9.811
562 3HD1 ILE 69 3HD1 ILE 69 15.308 -3.076 8.972
563 H LYS 70 H LYS 70 11.106 -4.059 5.127
564 HA LYS 70 HA LYS 70 10.904 -6.991 5.301
565 1HB LYS 70 2HB LYS 70 8.673 -6.188 4.871
566 2HB LYS 70 1HB LYS 70 9.252 -5.103 3.614
567 1HG LYS 70 2HG LYS 70 9.814 -6.964 2.196
568 2HG LYS 70 1HG LYS 70 9.384 -8.105 3.468
569 1HD LYS 70 2HD LYS 70 7.066 -7.338 3.377
570 2HD LYS 70 1HD LYS 70 7.496 -6.183 2.113
571 1HE LYS 70 2HE LYS 70 6.470 -8.207 1.185
572 2HE LYS 70 1HE LYS 70 8.132 -8.002 0.635
573 1HZ LYS 70 1HZ LYS 70 8.850 -9.628 2.263
574 2HZ LYS 70 2HZ LYS 70 7.656 -10.296 1.259
575 3HZ LYS 70 3HZ LYS 70 7.263 -9.803 2.838
576 H THR 71 H THR 71 12.748 -7.710 4.452
577 HA THR 71 HA THR 71 14.065 -6.266 2.308
578 HB THR 71 HB THR 71 15.738 -8.233 2.617
579 HG1 THR 71 HG1 THR 71 15.568 -9.165 4.733
580 1HG2 THR 71 1HG2 THR 71 15.248 -6.196 4.793
581 2HG2 THR 71 2HG2 THR 71 16.201 -5.955 3.328
582 3HG2 THR 71 3HG2 THR 71 16.749 -7.093 4.561
583 H CYS 72 H CYS 72 14.097 -6.850 0.219
584 HA CYS 72 HA CYS 72 13.479 -9.482 -0.706
585 1HB CYS 72 2HB CYS 72 11.416 -8.545 -2.007
586 2HB CYS 72 1HB CYS 72 11.229 -9.082 -0.340
587 HG CYS 72 HG CYS 72 12.029 -5.990 -0.070
588 H ASP 73 H ASP 73 12.666 -8.965 -3.277
589 HA ASP 73 HA ASP 73 15.101 -7.663 -4.274
590 1HB ASP 73 2HB ASP 73 14.820 -9.160 -6.268
591 2HB ASP 73 1HB ASP 73 15.147 -9.993 -4.756
592 H HIS 74 H HIS 74 11.709 -8.197 -5.217
593 HA HIS 74 HA HIS 74 11.831 -6.608 -7.542
594 1HB HIS 74 2HB HIS 74 9.466 -7.493 -5.888
595 2HB HIS 74 1HB HIS 74 9.313 -6.652 -7.427
596 HD1 HIS 74 HD1 HIS 74 8.197 -9.511 -7.007
597 HD2 HIS 74 HD2 HIS 74 11.914 -8.637 -8.645
598 HE1 HIS 74 HE1 HIS 74 8.804 -11.508 -8.403
599 HE2 HIS 74 HE2 HIS 74 10.936 -10.846 -9.570
600 H TYR 75 H TYR 75 11.615 -5.660 -4.284
601 HA TYR 75 HA TYR 75 10.210 -3.179 -4.739
602 1HB TYR 75 2HB TYR 75 11.745 -4.249 -2.358
603 2HB TYR 75 1HB TYR 75 10.898 -2.709 -2.362
604 HD1 TYR 75 HD1 TYR 75 9.548 -3.373 -0.461
605 HD2 TYR 75 HD2 TYR 75 9.434 -5.615 -4.072
606 HE1 TYR 75 HE1 TYR 75 7.513 -4.511 0.316
607 HE2 TYR 75 HE2 TYR 75 7.394 -6.749 -3.310
608 HH TYR 75 HH TYR 75 5.587 -5.681 -0.638
609 H GLN 76 H GLN 76 12.309 -3.312 -6.516
610 HA GLN 76 HA GLN 76 14.737 -2.349 -5.391
611 1HB GLN 76 2HB GLN 76 15.580 -2.387 -7.644
612 2HB GLN 76 1HB GLN 76 14.721 -3.870 -7.286
613 1HG GLN 76 2HG GLN 76 12.732 -2.872 -8.462
614 2HG GLN 76 1HG GLN 76 13.804 -1.577 -8.996
615 1HE2 GLN 76 1HE2 GLN 76 13.664 -2.074 -11.150
616 2HE2 GLN 76 2HE2 GLN 76 14.351 -3.508 -11.831
617 H ASN 77 H ASN 77 11.920 -0.737 -6.283
618 HA ASN 77 HA ASN 77 13.187 1.728 -7.062
619 1HB ASN 77 2HB ASN 77 10.377 0.968 -6.334
620 2HB ASN 77 1HB ASN 77 10.833 2.667 -6.401
621 1HD2 ASN 77 1HD2 ASN 77 10.216 -0.201 -8.205
622 2HD2 ASN 77 2HD2 ASN 77 10.294 0.522 -9.776
623 H PHE 78 H PHE 78 13.156 0.070 -4.268
624 HA PHE 78 HA PHE 78 13.131 2.429 -2.541
625 1HB PHE 78 2HB PHE 78 13.362 -0.509 -1.832
626 2HB PHE 78 1HB PHE 78 13.255 0.812 -0.677
627 HD1 PHE 78 HD1 PHE 78 11.147 2.062 -2.926
628 HD2 PHE 78 HD2 PHE 78 11.420 -1.367 -0.423
629 HE1 PHE 78 HE1 PHE 78 8.700 1.864 -2.937
630 HE2 PHE 78 HE2 PHE 78 8.970 -1.567 -0.433
631 HZ PHE 78 HZ PHE 78 7.607 0.046 -1.691
632 HA PRO 79 HA PRO 79 17.396 3.265 -2.486
633 1HB PRO 79 2HB PRO 79 17.801 3.175 0.315
634 2HB PRO 79 1HB PRO 79 17.426 4.589 -0.669
635 1HG PRO 79 2HG PRO 79 15.620 2.880 0.956
636 2HG PRO 79 1HG PRO 79 15.511 4.609 0.595
637 1HD PRO 79 2HD PRO 79 13.894 2.841 -0.579
638 2HD PRO 79 1HD PRO 79 14.532 4.236 -1.476
639 H LEU 80 H LEU 80 16.365 0.387 -0.812
640 HA LEU 80 HA LEU 80 17.308 -1.677 -0.637
641 1HB LEU 80 2HB LEU 80 18.336 -1.162 -2.884
642 2HB LEU 80 1HB LEU 80 19.751 -0.571 -2.036
643 HG LEU 80 HG LEU 80 18.771 -3.407 -1.738
644 1HD1 LEU 80 1HD1 LEU 80 20.469 -4.030 -3.382
645 2HD1 LEU 80 2HD1 LEU 80 20.805 -2.325 -3.686
646 3HD1 LEU 80 3HD1 LEU 80 19.229 -3.001 -4.100
647 1HD2 LEU 80 1HD2 LEU 80 21.451 -2.118 -1.289
648 2HD2 LEU 80 2HD2 LEU 80 21.055 -3.820 -1.054
649 3HD2 LEU 80 3HD2 LEU 80 20.312 -2.593 -0.030
650 H TYR 81 H TYR 81 18.227 -2.652 1.026
651 HA TYR 81 HA TYR 81 19.367 -0.946 3.069
652 1HB TYR 81 2HB TYR 81 17.558 -2.566 3.569
653 2HB TYR 81 1HB TYR 81 18.637 -3.884 3.134
654 HD1 TYR 81 HD1 TYR 81 19.827 -4.939 4.814
655 HD2 TYR 81 HD2 TYR 81 18.448 -0.964 5.457
656 HE1 TYR 81 HE1 TYR 81 20.611 -5.046 7.141
657 HE2 TYR 81 HE2 TYR 81 19.231 -1.065 7.786
658 HH TYR 81 HH TYR 81 21.250 -3.607 8.931
659 H LEU 82 H LEU 82 21.480 -0.627 3.123
660 HA LEU 82 HA LEU 82 23.317 -2.469 1.871
661 1HB LEU 82 2HB LEU 82 23.354 0.182 2.053
662 2HB LEU 82 1HB LEU 82 24.217 -0.160 3.538
663 HG LEU 82 HG LEU 82 25.752 0.301 1.693
664 1HD1 LEU 82 1HD1 LEU 82 26.509 -1.209 3.436
665 2HD1 LEU 82 2HD1 LEU 82 27.167 -1.687 1.871
666 3HD1 LEU 82 3HD1 LEU 82 25.815 -2.579 2.570
667 1HD2 LEU 82 1HD2 LEU 82 24.520 -2.123 0.396
668 2HD2 LEU 82 2HD2 LEU 82 25.932 -1.245 -0.193
669 3HD2 LEU 82 3HD2 LEU 82 24.357 -0.455 -0.148
670 H GLY 83 H GLY 83 23.389 -4.334 3.068
671 1HA GLY 83 2HA GLY 83 24.077 -4.137 5.914
672 2HA GLY 83 1HA GLY 83 23.553 -5.594 5.082
673 H GLY 84 H GLY 84 25.142 -7.045 5.096
674 1HA GLY 84 2HA GLY 84 27.910 -6.076 4.931
675 2HA GLY 84 1HA GLY 84 27.410 -7.656 5.519
676 H GLU 85 H GLU 85 26.834 -9.272 4.013
677 HA GLU 85 HA GLU 85 28.286 -9.040 1.521
678 1HB GLU 85 2HB GLU 85 28.333 -11.056 3.081
679 2HB GLU 85 1HB GLU 85 26.710 -11.417 2.520
680 1HG GLU 85 2HG GLU 85 29.043 -11.159 0.648
681 2HG GLU 85 1HG GLU 85 28.621 -12.676 1.436
682 H THR 86 H THR 86 25.058 -10.375 2.246
683 HA THR 86 HA THR 86 24.173 -9.647 -0.412
684 HB THR 86 HB THR 86 23.504 -11.827 0.341
685 HG1 THR 86 HG1 THR 86 21.897 -10.873 -0.889
686 1HG2 THR 86 1HG2 THR 86 22.166 -10.471 2.686
687 2HG2 THR 86 2HG2 THR 86 23.623 -11.462 2.757
688 3HG2 THR 86 3HG2 THR 86 22.081 -12.191 2.302
689 H HIS 87 H HIS 87 23.125 -7.837 -0.894
690 HA HIS 87 HA HIS 87 21.902 -6.305 1.312
691 1HB HIS 87 2HB HIS 87 22.682 -5.107 -1.349
692 2HB HIS 87 1HB HIS 87 22.337 -4.288 0.162
693 HD1 HIS 87 HD1 HIS 87 24.989 -4.089 -1.658
694 HD2 HIS 87 HD2 HIS 87 24.557 -6.079 1.971
695 HE1 HIS 87 HE1 HIS 87 27.294 -4.205 -0.664
696 HE2 HIS 87 HE2 HIS 87 27.040 -5.583 1.430
697 H GLU 88 H GLU 88 19.754 -5.728 1.117
698 HA GLU 88 HA GLU 88 18.384 -6.791 -1.261
699 1HB GLU 88 2HB GLU 88 17.411 -7.079 1.586
700 2HB GLU 88 1HB GLU 88 16.662 -7.748 0.143
701 1HG GLU 88 2HG GLU 88 18.620 -9.176 -0.204
702 2HG GLU 88 1HG GLU 88 19.348 -8.519 1.260
703 H HIS 89 H HIS 89 16.280 -5.839 -1.675
704 HA HIS 89 HA HIS 89 16.255 -3.035 -0.941
705 1HB HIS 89 2HB HIS 89 14.505 -4.643 -2.804
706 2HB HIS 89 1HB HIS 89 14.284 -2.924 -2.501
707 HD1 HIS 89 HD1 HIS 89 15.938 -1.297 -3.640
708 HD2 HIS 89 HD2 HIS 89 16.739 -5.315 -4.375
709 HE1 HIS 89 HE1 HIS 89 17.605 -1.326 -5.520
710 HE2 HIS 89 HE2 HIS 89 17.852 -3.766 -6.127
711 H TYR 90 H TYR 90 15.303 -2.382 0.863
712 HA TYR 90 HA TYR 90 13.332 -4.171 2.067
713 1HB TYR 90 2HB TYR 90 13.919 -3.291 4.184
714 2HB TYR 90 1HB TYR 90 15.436 -3.532 3.327
715 HD1 TYR 90 HD1 TYR 90 16.522 -1.470 2.245
716 HD2 TYR 90 HD2 TYR 90 13.375 -1.216 5.092
717 HE1 TYR 90 HE1 TYR 90 17.150 0.861 2.721
718 HE2 TYR 90 HE2 TYR 90 13.989 1.111 5.576
719 HH TYR 90 HH TYR 90 16.412 2.818 3.694
720 H GLY 91 H GLY 91 11.342 -3.565 2.595
721 1HA GLY 91 2HA GLY 91 10.591 -0.730 2.237
722 2HA GLY 91 1HA GLY 91 9.538 -2.051 1.735
723 H ILE 92 H ILE 92 8.253 -0.510 3.373
724 HA ILE 92 HA ILE 92 8.622 -1.652 6.064
725 HB ILE 92 HB ILE 92 7.218 0.941 5.403
726 1HG1 ILE 92 2HG1 ILE 92 10.017 0.515 6.481
727 2HG1 ILE 92 1HG1 ILE 92 9.630 1.050 4.850
728 1HG2 ILE 92 1HG2 ILE 92 6.476 -0.093 7.474
729 2HG2 ILE 92 2HG2 ILE 92 7.432 1.347 7.822
730 3HG2 ILE 92 3HG2 ILE 92 8.148 -0.253 8.015
731 1HD1 ILE 92 1HD1 ILE 92 8.643 3.080 5.733
732 2HD1 ILE 92 2HD1 ILE 92 10.310 2.895 6.284
733 3HD1 ILE 92 3HD1 ILE 92 8.974 2.537 7.378
734 HA PRO 93 HA PRO 93 4.799 -3.781 4.960
735 1HB PRO 93 2HB PRO 93 5.115 -4.755 7.742
736 2HB PRO 93 1HB PRO 93 4.926 -5.670 6.238
737 1HG PRO 93 2HG PRO 93 7.284 -5.562 7.478
738 2HG PRO 93 1HG PRO 93 7.174 -5.520 5.709
739 1HD PRO 93 2HD PRO 93 7.628 -3.262 7.629
740 2HD PRO 93 1HD PRO 93 8.407 -3.583 6.064
741 H HIS 94 H HIS 94 2.734 -3.196 5.260
742 HA HIS 94 HA HIS 94 1.949 -1.958 7.799
743 1HB HIS 94 2HB HIS 94 1.499 -0.819 5.042
744 2HB HIS 94 1HB HIS 94 0.480 -0.379 6.407
745 HD1 HIS 94 HD1 HIS 94 4.093 -0.212 5.306
746 HD2 HIS 94 HD2 HIS 94 1.496 1.594 7.997
747 HE1 HIS 94 HE1 HIS 94 5.364 1.722 6.268
748 HE2 HIS 94 HE2 HIS 94 3.690 2.931 7.716
749 H GLY 95 H GLY 95 -0.495 -1.742 7.865
750 1HA GLY 95 2HA GLY 95 -2.143 -3.432 6.324
751 2HA GLY 95 1HA GLY 95 -1.618 -4.277 7.780
752 H PHE 96 H PHE 96 -4.303 -3.667 7.355
753 HA PHE 96 HA PHE 96 -4.800 -1.519 9.290
754 1HB PHE 96 2HB PHE 96 -6.278 -1.748 6.656
755 2HB PHE 96 1HB PHE 96 -6.443 -0.474 7.862
756 HD1 PHE 96 HD1 PHE 96 -4.556 -1.688 5.031
757 HD2 PHE 96 HD2 PHE 96 -4.593 1.142 8.207
758 HE1 PHE 96 HE1 PHE 96 -2.790 -0.404 3.903
759 HE2 PHE 96 HE2 PHE 96 -2.829 2.434 7.079
760 HZ PHE 96 HZ PHE 96 -1.925 1.660 4.927
761 H SER 97 H SER 97 -7.612 -1.544 8.905
762 HA SER 97 HA SER 97 -8.483 -4.311 9.243
763 1HB SER 97 2HB SER 97 -8.893 -2.220 11.415
764 2HB SER 97 1HB SER 97 -9.483 -3.881 11.447
765 HG SER 97 HG SER 97 -7.008 -4.248 11.085
766 H SER 98 H SER 98 -8.911 -1.574 7.709
767 HA SER 98 HA SER 98 -11.619 -2.020 7.073
768 1HB SER 98 2HB SER 98 -11.904 -0.841 9.272
769 2HB SER 98 1HB SER 98 -11.088 0.558 8.574
770 HG SER 98 HG SER 98 -13.376 -0.605 7.374
771 H ARG 99 H ARG 99 -12.026 -1.234 5.102
772 HA ARG 99 HA ARG 99 -9.949 -0.210 3.510
773 1HB ARG 99 2HB ARG 99 -12.925 -0.142 2.997
774 2HB ARG 99 1HB ARG 99 -11.667 0.085 1.787
775 1HG ARG 99 2HG ARG 99 -10.848 -2.213 2.337
776 2HG ARG 99 1HG ARG 99 -12.288 -2.414 3.338
777 1HD ARG 99 2HD ARG 99 -12.329 -1.690 0.425
778 2HD ARG 99 1HD ARG 99 -12.497 -3.334 1.035
779 HE ARG 99 HE ARG 99 -14.395 -1.523 2.185
780 1HH1 ARG 99 1HH1 ARG 99 -13.701 -3.625 -0.530
781 2HH1 ARG 99 2HH1 ARG 99 -15.360 -3.706 -1.053
782 1HH2 ARG 99 1HH2 ARG 99 -16.577 -1.651 1.521
783 2HH2 ARG 99 2HH2 ARG 99 -17.003 -2.584 0.118
784 H ILE 100 H ILE 100 -12.785 1.367 4.899
785 HA ILE 100 HA ILE 100 -12.411 3.924 3.868
786 HB ILE 100 HB ILE 100 -14.400 2.977 5.194
787 1HG1 ILE 100 2HG1 ILE 100 -14.055 5.399 4.376
788 2HG1 ILE 100 1HG1 ILE 100 -15.264 5.115 5.618
789 1HG2 ILE 100 1HG2 ILE 100 -13.213 2.325 7.190
790 2HG2 ILE 100 2HG2 ILE 100 -14.448 3.523 7.584
791 3HG2 ILE 100 3HG2 ILE 100 -12.751 3.999 7.490
792 1HD1 ILE 100 1HD1 ILE 100 -12.496 6.218 6.032
793 2HD1 ILE 100 2HD1 ILE 100 -13.657 5.879 7.318
794 3HD1 ILE 100 3HD1 ILE 100 -14.013 7.114 6.107
795 H ALA 101 H ALA 101 -10.896 2.380 6.655
796 HA ALA 101 HA ALA 101 -9.659 4.682 7.728
797 1HB ALA 101 1HB ALA 101 -8.171 3.112 8.883
798 2HB ALA 101 2HB ALA 101 -8.771 1.802 7.868
799 3HB ALA 101 3HB ALA 101 -9.857 2.607 8.999
800 H LEU 102 H LEU 102 -8.556 2.219 5.440
801 HA LEU 102 HA LEU 102 -6.022 3.282 4.895
802 1HB LEU 102 2HB LEU 102 -6.570 1.062 4.182
803 2HB LEU 102 1HB LEU 102 -7.921 1.640 3.227
804 HG LEU 102 HG LEU 102 -6.364 2.714 1.660
805 1HD1 LEU 102 1HD1 LEU 102 -3.966 2.275 1.803
806 2HD1 LEU 102 2HD1 LEU 102 -4.206 1.474 3.358
807 3HD1 LEU 102 3HD1 LEU 102 -4.539 3.198 3.193
808 1HD2 LEU 102 1HD2 LEU 102 -5.746 -0.193 2.172
809 2HD2 LEU 102 2HD2 LEU 102 -5.458 0.678 0.665
810 3HD2 LEU 102 3HD2 LEU 102 -7.108 0.431 1.239
811 H GLU 103 H GLU 103 -9.199 3.955 3.511
812 HA GLU 103 HA GLU 103 -8.417 5.578 1.379
813 1HB GLU 103 2HB GLU 103 -10.785 4.679 2.128
814 2HB GLU 103 1HB GLU 103 -10.881 6.226 2.957
815 1HG GLU 103 2HG GLU 103 -10.473 7.390 0.840
816 2HG GLU 103 1HG GLU 103 -10.422 5.838 0.009
817 H ARG 104 H ARG 104 -9.082 6.391 4.763
818 HA ARG 104 HA ARG 104 -8.667 9.189 4.443
819 1HB ARG 104 2HB ARG 104 -8.424 7.574 6.990
820 2HB ARG 104 1HB ARG 104 -8.656 9.313 6.863
821 1HG ARG 104 2HG ARG 104 -10.856 8.911 5.823
822 2HG ARG 104 1HG ARG 104 -10.624 7.178 6.062
823 1HD ARG 104 2HD ARG 104 -11.932 7.864 7.882
824 2HD ARG 104 1HD ARG 104 -10.297 7.731 8.530
825 HE ARG 104 HE ARG 104 -11.232 10.351 7.622
826 1HH1 ARG 104 1HH1 ARG 104 -10.379 8.233 10.282
827 2HH1 ARG 104 2HH1 ARG 104 -10.310 9.514 11.454
828 1HH2 ARG 104 1HH2 ARG 104 -11.179 12.029 9.149
829 2HH2 ARG 104 2HH2 ARG 104 -10.770 11.685 10.812
830 H TYR 105 H TYR 105 -6.566 6.485 5.290
831 HA TYR 105 HA TYR 105 -4.360 8.071 6.086
832 1HB TYR 105 2HB TYR 105 -4.543 5.193 5.193
833 2HB TYR 105 1HB TYR 105 -3.080 5.936 5.816
834 HD1 TYR 105 HD1 TYR 105 -4.670 3.532 6.934
835 HD2 TYR 105 HD2 TYR 105 -4.619 7.672 7.894
836 HE1 TYR 105 HE1 TYR 105 -5.405 3.007 9.220
837 HE2 TYR 105 HE2 TYR 105 -5.351 7.160 10.183
838 HH TYR 105 HH TYR 105 -5.160 4.206 11.547
839 H LEU 106 H LEU 106 -5.324 6.612 3.000
840 HA LEU 106 HA LEU 106 -3.065 7.341 1.498
841 1HB LEU 106 2HB LEU 106 -5.965 7.216 0.648
842 2HB LEU 106 1HB LEU 106 -4.609 7.352 -0.455
843 HG LEU 106 HG LEU 106 -5.127 5.014 1.388
844 1HD1 LEU 106 1HD1 LEU 106 -5.486 5.304 -1.595
845 2HD1 LEU 106 2HD1 LEU 106 -6.771 5.139 -0.399
846 3HD1 LEU 106 3HD1 LEU 106 -5.653 3.805 -0.681
847 1HD2 LEU 106 1HD2 LEU 106 -2.748 5.374 0.960
848 2HD2 LEU 106 2HD2 LEU 106 -3.058 5.400 -0.776
849 3HD2 LEU 106 3HD2 LEU 106 -3.331 3.922 0.148
850 H ASN 107 H ASN 107 -5.941 9.105 2.429
851 HA ASN 107 HA ASN 107 -5.472 11.440 0.908
852 1HB ASN 107 2HB ASN 107 -7.266 10.644 3.126
853 2HB ASN 107 1HB ASN 107 -6.997 12.367 2.921
854 1HD2 ASN 107 1HD2 ASN 107 -8.350 9.482 1.535
855 2HD2 ASN 107 2HD2 ASN 107 -9.253 10.274 0.291
856 H GLY 108 H GLY 108 -4.321 10.367 4.019
857 1HA GLY 108 2HA GLY 108 -3.365 13.031 4.706
858 2HA GLY 108 1HA GLY 108 -3.262 11.595 5.712
859 H LEU 109 H LEU 109 -1.985 9.862 3.919
860 HA LEU 109 HA LEU 109 0.701 10.797 4.383
861 1HB LEU 109 2HB LEU 109 0.010 8.493 4.898
862 2HB LEU 109 1HB LEU 109 -0.275 8.205 3.194
863 HG LEU 109 HG LEU 109 2.127 8.552 2.742
864 1HD1 LEU 109 1HD1 LEU 109 2.370 8.727 5.742
865 2HD1 LEU 109 2HD1 LEU 109 2.627 10.050 4.607
866 3HD1 LEU 109 3HD1 LEU 109 3.708 8.658 4.596
867 1HD2 LEU 109 1HD2 LEU 109 2.914 6.476 3.782
868 2HD2 LEU 109 2HD2 LEU 109 1.293 6.301 3.112
869 3HD2 LEU 109 3HD2 LEU 109 1.515 6.489 4.852
870 H PHE 110 H PHE 110 -1.217 9.938 1.504
871 HA PHE 110 HA PHE 110 1.092 10.698 -0.148
872 1HB PHE 110 2HB PHE 110 -1.331 9.031 -0.839
873 2HB PHE 110 1HB PHE 110 -0.039 9.440 -1.962
874 HD1 PHE 110 HD1 PHE 110 -1.247 6.940 0.064
875 HD2 PHE 110 HD2 PHE 110 2.397 8.899 -0.923
876 HE1 PHE 110 HE1 PHE 110 0.012 4.957 0.787
877 HE2 PHE 110 HE2 PHE 110 3.665 6.920 -0.203
878 HZ PHE 110 HZ PHE 110 2.470 4.946 0.655
879 H GLY 111 H GLY 111 -2.137 11.619 0.632
880 1HA GLY 111 2HA GLY 111 -2.182 13.450 -1.670
881 2HA GLY 111 1HA GLY 111 -3.618 12.853 -0.852
882 H ASP 112 H ASP 112 -0.584 14.392 0.265
883 HA ASP 112 HA ASP 112 -2.186 16.069 1.996
884 1HB ASP 112 2HB ASP 112 -0.120 16.277 3.309
885 2HB ASP 112 1HB ASP 112 -0.559 14.591 3.093
Start of MODEL 5
1 1H MET 1 1HT MET 1 -9.738 -9.206 13.275
2 2H MET 1 2HT MET 1 -9.368 -7.565 13.047
3 3H MET 1 3HT MET 1 -8.140 -8.730 12.960
4 HA MET 1 HA MET 1 -9.210 -9.711 11.008
5 1HB MET 1 2HB MET 1 -11.013 -7.295 11.275
6 2HB MET 1 1HB MET 1 -10.954 -8.348 9.870
7 1HG MET 1 2HG MET 1 -11.742 -10.213 11.210
8 2HG MET 1 1HG MET 1 -11.752 -9.189 12.646
9 1HE MET 1 1HE MET 1 -14.287 -10.888 11.637
10 2HE MET 1 2HE MET 1 -15.566 -9.708 11.919
11 3HE MET 1 3HE MET 1 -14.266 -9.894 13.095
12 H TYR 2 H TYR 2 -8.483 -9.031 8.944
13 HA TYR 2 HA TYR 2 -7.330 -6.339 8.810
14 1HB TYR 2 2HB TYR 2 -5.988 -8.887 7.906
15 2HB TYR 2 1HB TYR 2 -5.390 -7.270 7.563
16 HD1 TYR 2 HD1 TYR 2 -5.710 -9.893 10.058
17 HD2 TYR 2 HD2 TYR 2 -4.473 -5.884 9.375
18 HE1 TYR 2 HE1 TYR 2 -4.470 -9.922 12.175
19 HE2 TYR 2 HE2 TYR 2 -3.224 -5.900 11.491
20 HH TYR 2 HH TYR 2 -3.247 -7.102 13.631
21 H LEU 3 H LEU 3 -6.543 -6.031 6.409
22 HA LEU 3 HA LEU 3 -8.766 -6.801 4.649
23 1HB LEU 3 2HB LEU 3 -6.722 -4.588 4.381
24 2HB LEU 3 1HB LEU 3 -7.976 -4.943 3.209
25 HG LEU 3 HG LEU 3 -8.510 -4.077 6.050
26 1HD1 LEU 3 1HD1 LEU 3 -8.572 -2.488 3.489
27 2HD1 LEU 3 2HD1 LEU 3 -7.404 -2.307 4.799
28 3HD1 LEU 3 3HD1 LEU 3 -9.102 -1.913 5.070
29 1HD2 LEU 3 1HD2 LEU 3 -10.298 -5.415 5.008
30 2HD2 LEU 3 2HD2 LEU 3 -10.340 -4.280 3.659
31 3HD2 LEU 3 3HD2 LEU 3 -10.787 -3.741 5.278
32 H ARG 4 H ARG 4 -8.382 -8.153 2.985
33 HA ARG 4 HA ARG 4 -5.827 -9.412 2.749
34 1HB ARG 4 2HB ARG 4 -8.199 -9.594 0.879
35 2HB ARG 4 1HB ARG 4 -6.838 -10.703 0.938
36 1HG ARG 4 2HG ARG 4 -9.015 -10.329 2.971
37 2HG ARG 4 1HG ARG 4 -8.616 -11.777 2.046
38 1HD ARG 4 2HD ARG 4 -6.466 -11.911 3.243
39 2HD ARG 4 1HD ARG 4 -6.923 -10.498 4.194
40 HE ARG 4 HE ARG 4 -7.688 -13.183 4.666
41 1HH1 ARG 4 1HH1 ARG 4 -8.981 -9.925 4.797
42 2HH1 ARG 4 2HH1 ARG 4 -10.122 -10.290 6.050
43 1HH2 ARG 4 1HH2 ARG 4 -9.185 -13.662 6.335
44 2HH2 ARG 4 2HH2 ARG 4 -10.221 -12.403 6.944
45 HA PRO 5 HA PRO 5 -3.589 -7.067 -0.215
46 1HB PRO 5 2HB PRO 5 -3.179 -8.956 -2.246
47 2HB PRO 5 1HB PRO 5 -2.135 -8.682 -0.850
48 1HG PRO 5 2HG PRO 5 -4.228 -10.759 -1.277
49 2HG PRO 5 1HG PRO 5 -2.687 -10.870 -0.404
50 1HD PRO 5 2HD PRO 5 -5.026 -10.684 0.894
51 2HD PRO 5 1HD PRO 5 -3.561 -9.892 1.508
52 H ASP 6 H ASP 6 -5.973 -9.183 -1.793
53 HA ASP 6 HA ASP 6 -6.350 -7.673 -4.121
54 1HB ASP 6 2HB ASP 6 -8.358 -9.426 -2.681
55 2HB ASP 6 1HB ASP 6 -8.465 -8.902 -4.359
56 H GLU 7 H GLU 7 -7.865 -7.499 -0.968
57 HA GLU 7 HA GLU 7 -9.889 -5.631 -1.546
58 1HB GLU 7 2HB GLU 7 -9.626 -7.099 0.518
59 2HB GLU 7 1HB GLU 7 -8.425 -5.947 1.076
60 1HG GLU 7 2HG GLU 7 -10.404 -5.364 2.165
61 2HG GLU 7 1HG GLU 7 -10.226 -4.181 0.869
62 H VAL 8 H VAL 8 -6.644 -5.262 -0.165
63 HA VAL 8 HA VAL 8 -6.653 -2.479 0.137
64 HB VAL 8 HB VAL 8 -4.295 -4.304 -0.379
65 1HG1 VAL 8 1HG1 VAL 8 -3.718 -1.970 -0.779
66 2HG1 VAL 8 2HG1 VAL 8 -2.945 -2.567 0.689
67 3HG1 VAL 8 3HG1 VAL 8 -4.365 -1.528 0.801
68 1HG2 VAL 8 1HG2 VAL 8 -5.503 -3.341 2.214
69 2HG2 VAL 8 2HG2 VAL 8 -4.034 -4.305 2.056
70 3HG2 VAL 8 3HG2 VAL 8 -5.588 -4.982 1.569
71 H ALA 9 H ALA 9 -5.549 -4.495 -2.562
72 HA ALA 9 HA ALA 9 -4.460 -2.468 -4.150
73 1HB ALA 9 1HB ALA 9 -4.681 -4.038 -6.008
74 2HB ALA 9 2HB ALA 9 -5.745 -5.049 -5.031
75 3HB ALA 9 3HB ALA 9 -4.058 -4.835 -4.563
76 H ARG 10 H ARG 10 -7.761 -3.795 -4.071
77 HA ARG 10 HA ARG 10 -8.751 -2.320 -6.241
78 1HB ARG 10 2HB ARG 10 -9.772 -4.229 -4.548
79 2HB ARG 10 1HB ARG 10 -10.708 -2.804 -4.117
80 1HG ARG 10 2HG ARG 10 -10.395 -3.857 -6.921
81 2HG ARG 10 1HG ARG 10 -11.769 -4.185 -5.865
82 1HD ARG 10 2HD ARG 10 -12.577 -2.045 -6.020
83 2HD ARG 10 1HD ARG 10 -10.988 -1.353 -6.348
84 HE ARG 10 HE ARG 10 -11.186 -2.034 -8.615
85 1HH1 ARG 10 1HH1 ARG 10 -14.109 -2.534 -6.731
86 2HH1 ARG 10 2HH1 ARG 10 -15.123 -2.684 -8.131
87 1HH2 ARG 10 1HH2 ARG 10 -12.530 -2.236 -10.443
88 2HH2 ARG 10 2HH2 ARG 10 -14.238 -2.521 -10.233
89 H VAL 11 H VAL 11 -8.453 -1.500 -2.820
90 HA VAL 11 HA VAL 11 -9.941 0.909 -2.936
91 HB VAL 11 HB VAL 11 -7.687 0.191 -1.053
92 1HG1 VAL 11 1HG1 VAL 11 -9.860 2.271 -0.797
93 2HG1 VAL 11 2HG1 VAL 11 -8.149 2.588 -1.080
94 3HG1 VAL 11 3HG1 VAL 11 -8.671 1.864 0.442
95 1HG2 VAL 11 1HG2 VAL 11 -9.473 -1.449 -0.960
96 2HG2 VAL 11 2HG2 VAL 11 -10.670 -0.167 -0.775
97 3HG2 VAL 11 3HG2 VAL 11 -9.484 -0.456 0.499
98 H LEU 12 H LEU 12 -6.484 0.210 -3.292
99 HA LEU 12 HA LEU 12 -5.593 2.839 -3.689
100 1HB LEU 12 2HB LEU 12 -4.519 0.256 -4.830
101 2HB LEU 12 1HB LEU 12 -3.675 1.792 -4.876
102 HG LEU 12 HG LEU 12 -4.440 0.310 -2.359
103 1HD1 LEU 12 1HD1 LEU 12 -1.787 0.613 -3.751
104 2HD1 LEU 12 2HD1 LEU 12 -2.716 -0.876 -3.569
105 3HD1 LEU 12 3HD1 LEU 12 -2.024 -0.088 -2.151
106 1HD2 LEU 12 1HD2 LEU 12 -2.760 2.778 -2.776
107 2HD2 LEU 12 2HD2 LEU 12 -3.014 1.948 -1.240
108 3HD2 LEU 12 3HD2 LEU 12 -4.369 2.730 -2.057
109 H GLU 13 H GLU 13 -6.674 0.389 -6.007
110 HA GLU 13 HA GLU 13 -6.364 1.826 -8.375
111 1HB GLU 13 2HB GLU 13 -6.937 -0.566 -8.262
112 2HB GLU 13 1HB GLU 13 -8.522 -0.159 -7.628
113 1HG GLU 13 2HG GLU 13 -8.923 1.106 -9.769
114 2HG GLU 13 1HG GLU 13 -7.449 0.360 -10.381
115 H LYS 14 H LYS 14 -9.018 1.744 -6.076
116 HA LYS 14 HA LYS 14 -10.891 3.318 -7.445
117 1HB LYS 14 2HB LYS 14 -11.105 1.873 -5.317
118 2HB LYS 14 1HB LYS 14 -10.546 3.292 -4.459
119 1HG LYS 14 2HG LYS 14 -12.458 4.560 -5.331
120 2HG LYS 14 1HG LYS 14 -13.041 3.092 -6.125
121 1HD LYS 14 2HD LYS 14 -13.085 1.979 -3.903
122 2HD LYS 14 1HD LYS 14 -12.659 3.522 -3.165
123 1HE LYS 14 2HE LYS 14 -15.131 2.950 -4.787
124 2HE LYS 14 1HE LYS 14 -15.058 3.102 -3.034
125 1HZ LYS 14 1HZ LYS 14 -14.615 5.222 -5.053
126 2HZ LYS 14 2HZ LYS 14 -14.206 5.413 -3.420
127 3HZ LYS 14 3HZ LYS 14 -15.820 5.147 -3.866
128 H ALA 15 H ALA 15 -8.338 4.139 -5.189
129 HA ALA 15 HA ALA 15 -9.043 6.887 -4.925
130 1HB ALA 15 1HB ALA 15 -6.985 7.097 -3.656
131 2HB ALA 15 2HB ALA 15 -6.463 5.506 -4.217
132 3HB ALA 15 3HB ALA 15 -7.878 5.654 -3.174
133 H GLY 16 H GLY 16 -7.980 5.515 -7.638
134 1HA GLY 16 2HA GLY 16 -7.489 6.738 -9.573
135 2HA GLY 16 1HA GLY 16 -7.019 8.096 -8.570
136 H PHE 17 H PHE 17 -5.768 4.865 -8.113
137 HA PHE 17 HA PHE 17 -3.094 5.867 -8.727
138 1HB PHE 17 2HB PHE 17 -4.146 3.476 -7.255
139 2HB PHE 17 1HB PHE 17 -2.486 3.518 -7.822
140 HD1 PHE 17 HD1 PHE 17 -0.859 4.359 -6.442
141 HD2 PHE 17 HD2 PHE 17 -4.898 5.546 -5.835
142 HE1 PHE 17 HE1 PHE 17 -0.190 5.569 -4.409
143 HE2 PHE 17 HE2 PHE 17 -4.238 6.763 -3.801
144 HZ PHE 17 HZ PHE 17 -1.880 6.772 -3.082
145 H THR 18 H THR 18 -1.589 4.441 -9.884
146 HA THR 18 HA THR 18 -2.932 2.838 -11.961
147 HB THR 18 HB THR 18 -0.382 4.095 -12.733
148 HG1 THR 18 HG1 THR 18 -2.708 5.655 -12.179
149 1HG2 THR 18 1HG2 THR 18 -1.748 2.832 -14.301
150 2HG2 THR 18 2HG2 THR 18 -1.647 4.521 -14.802
151 3HG2 THR 18 3HG2 THR 18 -3.106 3.920 -14.013
152 H VAL 19 H VAL 19 -1.586 1.115 -12.855
153 HA VAL 19 HA VAL 19 0.135 -0.046 -10.842
154 HB VAL 19 HB VAL 19 -1.530 -1.376 -12.241
155 1HG1 VAL 19 1HG1 VAL 19 0.639 -1.145 -14.323
156 2HG1 VAL 19 2HG1 VAL 19 -0.972 -0.432 -14.428
157 3HG1 VAL 19 3HG1 VAL 19 -0.782 -2.186 -14.415
158 1HG2 VAL 19 1HG2 VAL 19 0.130 -2.456 -10.851
159 2HG2 VAL 19 2HG2 VAL 19 1.332 -2.305 -12.131
160 3HG2 VAL 19 3HG2 VAL 19 -0.072 -3.349 -12.361
161 H ASP 20 H ASP 20 2.317 -0.531 -11.100
162 HA ASP 20 HA ASP 20 3.683 0.865 -13.315
163 1HB ASP 20 2HB ASP 20 4.098 1.950 -11.149
164 2HB ASP 20 1HB ASP 20 4.660 0.421 -10.483
165 H VAL 21 H VAL 21 4.333 -1.644 -10.873
166 HA VAL 21 HA VAL 21 5.429 -3.311 -13.025
167 HB VAL 21 HB VAL 21 7.316 -2.470 -11.789
168 1HG1 VAL 21 1HG1 VAL 21 6.197 -1.825 -9.721
169 2HG1 VAL 21 2HG1 VAL 21 7.604 -2.833 -9.382
170 3HG1 VAL 21 3HG1 VAL 21 5.982 -3.522 -9.289
171 1HG2 VAL 21 1HG2 VAL 21 7.432 -4.795 -12.514
172 2HG2 VAL 21 2HG2 VAL 21 6.749 -5.316 -10.971
173 3HG2 VAL 21 3HG2 VAL 21 8.335 -4.547 -11.018
174 H VAL 22 H VAL 22 4.154 -5.013 -13.277
175 HA VAL 22 HA VAL 22 2.602 -5.935 -10.987
176 HB VAL 22 HB VAL 22 1.262 -5.425 -12.900
177 1HG1 VAL 22 1HG1 VAL 22 2.883 -5.611 -14.673
178 2HG1 VAL 22 2HG1 VAL 22 1.488 -6.621 -15.042
179 3HG1 VAL 22 3HG1 VAL 22 2.978 -7.357 -14.451
180 1HG2 VAL 22 1HG2 VAL 22 0.136 -7.582 -13.287
181 2HG2 VAL 22 2HG2 VAL 22 0.500 -7.297 -11.584
182 3HG2 VAL 22 3HG2 VAL 22 1.498 -8.408 -12.527
183 H THR 23 H THR 23 4.057 -7.154 -9.846
184 HA THR 23 HA THR 23 5.049 -9.589 -11.142
185 HB THR 23 HB THR 23 6.247 -10.054 -9.045
186 HG1 THR 23 HG1 THR 23 4.772 -7.845 -8.146
187 1HG2 THR 23 1HG2 THR 23 7.445 -8.748 -10.674
188 2HG2 THR 23 2HG2 THR 23 7.814 -8.132 -9.060
189 3HG2 THR 23 3HG2 THR 23 6.682 -7.265 -10.100
190 H ASN 24 H ASN 24 4.420 -11.660 -10.351
191 HA ASN 24 HA ASN 24 1.639 -11.744 -9.701
192 1HB ASN 24 2HB ASN 24 2.965 -13.378 -11.168
193 2HB ASN 24 1HB ASN 24 3.506 -14.111 -9.660
194 1HD2 ASN 24 1HD2 ASN 24 2.480 -16.053 -10.033
195 2HD2 ASN 24 2HD2 ASN 24 0.758 -16.221 -10.003
196 H LYS 25 H LYS 25 4.098 -11.039 -7.748
197 HA LYS 25 HA LYS 25 2.922 -12.425 -5.424
198 1HB LYS 25 2HB LYS 25 5.760 -11.425 -5.744
199 2HB LYS 25 1HB LYS 25 5.110 -12.271 -4.347
200 1HG LYS 25 2HG LYS 25 4.900 -14.299 -5.568
201 2HG LYS 25 1HG LYS 25 5.256 -13.484 -7.097
202 1HD LYS 25 2HD LYS 25 7.503 -12.935 -6.251
203 2HD LYS 25 1HD LYS 25 7.144 -13.813 -4.763
204 1HE LYS 25 2HE LYS 25 6.888 -15.873 -6.024
205 2HE LYS 25 1HE LYS 25 7.162 -15.006 -7.534
206 1HZ LYS 25 1HZ LYS 25 9.150 -16.170 -6.733
207 2HZ LYS 25 2HZ LYS 25 9.136 -15.230 -5.325
208 3HZ LYS 25 3HZ LYS 25 9.394 -14.496 -6.829
209 H THR 26 H THR 26 3.285 -9.510 -6.993
210 HA THR 26 HA THR 26 2.616 -7.890 -4.734
211 HB THR 26 HB THR 26 5.441 -7.931 -5.770
212 HG1 THR 26 HG1 THR 26 4.622 -9.046 -3.766
213 1HG2 THR 26 1HG2 THR 26 4.123 -5.649 -4.313
214 2HG2 THR 26 2HG2 THR 26 4.742 -5.631 -5.965
215 3HG2 THR 26 3HG2 THR 26 5.856 -5.813 -4.612
216 H TYR 27 H TYR 27 1.393 -6.283 -5.498
217 HA TYR 27 HA TYR 27 1.573 -5.549 -8.314
218 1HB TYR 27 2HB TYR 27 -0.342 -4.645 -6.158
219 2HB TYR 27 1HB TYR 27 -0.412 -4.130 -7.835
220 HD1 TYR 27 HD1 TYR 27 -0.380 -6.277 -9.526
221 HD2 TYR 27 HD2 TYR 27 -1.863 -6.223 -5.541
222 HE1 TYR 27 HE1 TYR 27 -1.855 -8.169 -10.056
223 HE2 TYR 27 HE2 TYR 27 -3.337 -8.118 -6.057
224 HH TYR 27 HH TYR 27 -4.388 -9.161 -7.969
225 H GLY 28 H GLY 28 3.260 -4.199 -8.690
226 1HA GLY 28 2HA GLY 28 3.998 -2.072 -6.932
227 2HA GLY 28 1HA GLY 28 4.515 -2.269 -8.606
228 H TYR 29 H TYR 29 2.865 -0.303 -6.582
229 HA TYR 29 HA TYR 29 1.041 0.650 -8.691
230 1HB TYR 29 2HB TYR 29 0.505 -0.265 -5.979
231 2HB TYR 29 1HB TYR 29 -0.102 1.357 -6.250
232 HD1 TYR 29 HD1 TYR 29 -1.958 1.742 -7.768
233 HD2 TYR 29 HD2 TYR 29 -0.365 -2.165 -7.235
234 HE1 TYR 29 HE1 TYR 29 -3.940 0.790 -8.879
235 HE2 TYR 29 HE2 TYR 29 -2.335 -3.128 -8.345
236 HH TYR 29 HH TYR 29 -4.702 -2.497 -8.759
237 H ARG 30 H ARG 30 1.003 2.855 -9.021
238 HA ARG 30 HA ARG 30 2.122 4.572 -6.972
239 1HB ARG 30 2HB ARG 30 3.677 5.711 -8.494
240 2HB ARG 30 1HB ARG 30 4.119 4.035 -8.217
241 1HG ARG 30 2HG ARG 30 3.359 3.394 -10.375
242 2HG ARG 30 1HG ARG 30 2.614 4.971 -10.646
243 1HD ARG 30 2HD ARG 30 4.727 6.048 -10.761
244 2HD ARG 30 1HD ARG 30 5.564 4.616 -10.167
245 HE ARG 30 HE ARG 30 4.884 3.549 -12.324
246 1HH1 ARG 30 1HH1 ARG 30 5.166 7.035 -12.076
247 2HH1 ARG 30 2HH1 ARG 30 5.547 7.245 -13.751
248 1HH2 ARG 30 1HH2 ARG 30 5.394 3.825 -14.527
249 2HH2 ARG 30 2HH2 ARG 30 5.680 5.428 -15.147
250 H ARG 31 H ARG 31 1.753 6.770 -7.272
251 HA ARG 31 HA ARG 31 0.065 7.636 -9.487
252 1HB ARG 31 2HB ARG 31 -1.430 6.936 -7.563
253 2HB ARG 31 1HB ARG 31 -0.672 8.196 -6.600
254 1HG ARG 31 2HG ARG 31 -1.467 9.863 -8.260
255 2HG ARG 31 1HG ARG 31 -2.338 8.564 -9.080
256 1HD ARG 31 2HD ARG 31 -3.884 9.677 -7.626
257 2HD ARG 31 1HD ARG 31 -3.517 8.099 -6.932
258 HE ARG 31 HE ARG 31 -1.741 9.994 -5.855
259 1HH1 ARG 31 1HH1 ARG 31 -5.130 9.092 -5.716
260 2HH1 ARG 31 2HH1 ARG 31 -5.357 9.730 -4.120
261 1HH2 ARG 31 1HH2 ARG 31 -2.029 10.810 -3.748
262 2HH2 ARG 31 2HH2 ARG 31 -3.588 10.701 -2.994
263 H GLY 32 H GLY 32 1.946 8.762 -10.142
264 1HA GLY 32 2HA GLY 32 3.465 10.507 -10.137
265 2HA GLY 32 1HA GLY 32 2.636 11.162 -8.727
266 H GLU 33 H GLU 33 4.061 11.389 -7.115
267 HA GLU 33 HA GLU 33 6.157 9.410 -6.748
268 1HB GLU 33 2HB GLU 33 5.543 12.020 -5.382
269 2HB GLU 33 1HB GLU 33 6.766 10.913 -4.773
270 1HG GLU 33 2HG GLU 33 7.910 11.038 -6.956
271 2HG GLU 33 1HG GLU 33 6.727 12.239 -7.472
272 H ASN 34 H ASN 34 3.115 9.091 -6.172
273 HA ASN 34 HA ASN 34 3.270 8.191 -3.403
274 1HB ASN 34 2HB ASN 34 0.989 8.012 -5.392
275 2HB ASN 34 1HB ASN 34 0.898 7.530 -3.706
276 1HD2 ASN 34 1HD2 ASN 34 2.577 9.842 -2.891
277 2HD2 ASN 34 2HD2 ASN 34 1.516 11.201 -2.946
278 H TYR 35 H TYR 35 4.801 6.540 -3.576
279 HA TYR 35 HA TYR 35 4.253 4.364 -5.456
280 1HB TYR 35 2HB TYR 35 6.694 4.963 -3.778
281 2HB TYR 35 1HB TYR 35 6.539 3.583 -4.856
282 HD1 TYR 35 HD1 TYR 35 7.407 7.050 -4.577
283 HD2 TYR 35 HD2 TYR 35 6.262 4.024 -7.341
284 HE1 TYR 35 HE1 TYR 35 8.312 8.400 -6.421
285 HE2 TYR 35 HE2 TYR 35 7.162 5.366 -9.193
286 HH TYR 35 HH TYR 35 9.102 8.162 -8.658
287 H VAL 36 H VAL 36 3.216 2.636 -4.775
288 HA VAL 36 HA VAL 36 3.818 1.578 -2.108
289 HB VAL 36 HB VAL 36 1.439 0.851 -1.858
290 1HG1 VAL 36 1HG1 VAL 36 2.274 2.774 -0.636
291 2HG1 VAL 36 2HG1 VAL 36 0.593 3.021 -1.110
292 3HG1 VAL 36 3HG1 VAL 36 1.888 3.826 -1.996
293 1HG2 VAL 36 1HG2 VAL 36 -0.286 2.022 -3.152
294 2HG2 VAL 36 2HG2 VAL 36 0.732 1.006 -4.173
295 3HG2 VAL 36 3HG2 VAL 36 0.972 2.753 -4.149
296 H TYR 37 H TYR 37 3.292 -0.723 -1.917
297 HA TYR 37 HA TYR 37 3.148 -2.140 -4.491
298 1HB TYR 37 2HB TYR 37 5.182 -2.654 -2.307
299 2HB TYR 37 1HB TYR 37 4.923 -3.699 -3.698
300 HD1 TYR 37 HD1 TYR 37 6.321 -0.523 -2.537
301 HD2 TYR 37 HD2 TYR 37 5.643 -3.009 -5.921
302 HE1 TYR 37 HE1 TYR 37 7.916 0.824 -3.837
303 HE2 TYR 37 HE2 TYR 37 7.235 -1.671 -7.231
304 HH TYR 37 HH TYR 37 8.232 0.510 -7.258
305 H VAL 38 H VAL 38 1.400 -3.405 -4.351
306 HA VAL 38 HA VAL 38 0.343 -4.169 -1.766
307 HB VAL 38 HB VAL 38 -0.691 -5.023 -4.466
308 1HG1 VAL 38 1HG1 VAL 38 -2.829 -5.237 -3.278
309 2HG1 VAL 38 2HG1 VAL 38 -2.024 -4.799 -1.771
310 3HG1 VAL 38 3HG1 VAL 38 -1.584 -6.289 -2.607
311 1HG2 VAL 38 1HG2 VAL 38 -1.432 -2.554 -2.899
312 2HG2 VAL 38 2HG2 VAL 38 -2.207 -3.110 -4.385
313 3HG2 VAL 38 3HG2 VAL 38 -0.522 -2.586 -4.410
314 H ASN 39 H ASN 39 1.310 -5.802 -0.757
315 HA ASN 39 HA ASN 39 2.646 -7.901 -2.192
316 1HB ASN 39 2HB ASN 39 3.355 -6.971 0.063
317 2HB ASN 39 1HB ASN 39 2.002 -7.857 0.759
318 1HD2 ASN 39 1HD2 ASN 39 3.896 -9.015 -1.937
319 2HD2 ASN 39 2HD2 ASN 39 4.642 -10.337 -1.104
320 H ARG 40 H ARG 40 1.532 -9.479 -3.168
321 HA ARG 40 HA ARG 40 -1.124 -10.212 -2.376
322 1HB ARG 40 2HB ARG 40 0.747 -11.686 -4.244
323 2HB ARG 40 1HB ARG 40 -0.993 -11.901 -4.125
324 1HG ARG 40 2HG ARG 40 -1.317 -9.600 -4.918
325 2HG ARG 40 1HG ARG 40 0.432 -9.423 -5.073
326 1HD ARG 40 2HD ARG 40 -0.271 -9.960 -7.236
327 2HD ARG 40 1HD ARG 40 0.311 -11.491 -6.588
328 HE ARG 40 HE ARG 40 -2.561 -10.794 -6.630
329 1HH1 ARG 40 1HH1 ARG 40 0.055 -13.045 -7.212
330 2HH1 ARG 40 2HH1 ARG 40 -0.984 -14.284 -7.844
331 1HH2 ARG 40 1HH2 ARG 40 -3.926 -12.412 -7.510
332 2HH2 ARG 40 2HH2 ARG 40 -3.236 -13.920 -8.032
333 H GLU 41 H GLU 41 1.911 -10.943 -1.237
334 HA GLU 41 HA GLU 41 1.345 -13.651 -0.356
335 1HB GLU 41 2HB GLU 41 3.713 -11.902 0.318
336 2HB GLU 41 1HB GLU 41 3.603 -13.650 0.475
337 1HG GLU 41 2HG GLU 41 3.569 -13.929 -1.897
338 2HG GLU 41 1HG GLU 41 3.454 -12.186 -2.145
339 H ALA 42 H ALA 42 -0.026 -11.058 0.613
340 HA ALA 42 HA ALA 42 0.690 -10.812 3.362
341 1HB ALA 42 1HB ALA 42 -1.322 -9.431 3.552
342 2HB ALA 42 2HB ALA 42 -1.798 -9.911 1.922
343 3HB ALA 42 3HB ALA 42 -0.334 -8.960 2.170
344 H ARG 43 H ARG 43 0.576 -12.688 4.425
345 HA ARG 43 HA ARG 43 -1.151 -14.787 4.201
346 1HB ARG 43 2HB ARG 43 0.085 -13.710 6.742
347 2HB ARG 43 1HB ARG 43 -0.575 -15.328 6.541
348 1HG ARG 43 2HG ARG 43 1.125 -15.915 4.983
349 2HG ARG 43 1HG ARG 43 1.691 -14.244 4.889
350 1HD ARG 43 2HD ARG 43 2.382 -14.326 7.221
351 2HD ARG 43 1HD ARG 43 1.769 -15.974 7.360
352 HE ARG 43 HE ARG 43 3.533 -16.708 5.921
353 1HH1 ARG 43 1HH1 ARG 43 3.813 -13.374 6.972
354 2HH1 ARG 43 2HH1 ARG 43 5.516 -13.284 6.652
355 1HH2 ARG 43 1HH2 ARG 43 5.784 -16.582 5.502
356 2HH2 ARG 43 2HH2 ARG 43 6.626 -15.089 5.822
357 H MET 44 H MET 44 -1.486 -12.487 6.910
358 HA MET 44 HA MET 44 -4.342 -13.076 7.011
359 1HB MET 44 2HB MET 44 -2.970 -11.117 8.827
360 2HB MET 44 1HB MET 44 -4.368 -12.130 9.152
361 1HG MET 44 2HG MET 44 -2.694 -13.083 10.428
362 2HG MET 44 1HG MET 44 -2.729 -14.097 8.986
363 1HE MET 44 1HE MET 44 1.071 -14.048 9.973
364 2HE MET 44 2HE MET 44 -0.336 -15.060 9.648
365 3HE MET 44 3HE MET 44 -0.305 -14.026 11.076
366 H GLY 45 H GLY 45 -2.416 -10.970 5.373
367 1HA GLY 45 2HA GLY 45 -3.050 -9.074 4.138
368 2HA GLY 45 1HA GLY 45 -4.502 -8.944 5.125
369 H ARG 46 H ARG 46 -2.090 -9.501 7.203
370 HA ARG 46 HA ARG 46 -2.171 -6.949 8.376
371 1HB ARG 46 2HB ARG 46 -1.796 -8.951 9.688
372 2HB ARG 46 1HB ARG 46 -0.301 -9.281 8.828
373 1HG ARG 46 2HG ARG 46 0.673 -7.231 9.771
374 2HG ARG 46 1HG ARG 46 -0.823 -6.954 10.663
375 1HD ARG 46 2HD ARG 46 -0.523 -8.975 11.918
376 2HD ARG 46 1HD ARG 46 0.863 -9.437 10.933
377 HE ARG 46 HE ARG 46 0.969 -6.962 12.516
378 1HH1 ARG 46 1HH1 ARG 46 2.090 -10.221 11.926
379 2HH1 ARG 46 2HH1 ARG 46 3.511 -10.065 12.912
380 1HH2 ARG 46 1HH2 ARG 46 2.823 -6.747 13.852
381 2HH2 ARG 46 2HH2 ARG 46 3.917 -8.086 14.020
382 H THR 47 H THR 47 0.031 -8.374 6.065
383 HA THR 47 HA THR 47 1.723 -5.967 6.222
384 HB THR 47 HB THR 47 3.543 -7.466 5.289
385 HG1 THR 47 HG1 THR 47 2.700 -9.323 4.645
386 1HG2 THR 47 1HG2 THR 47 2.445 -8.131 8.027
387 2HG2 THR 47 2HG2 THR 47 3.527 -6.794 7.639
388 3HG2 THR 47 3HG2 THR 47 4.089 -8.457 7.476
389 H ALA 48 H ALA 48 -0.619 -6.182 4.595
390 HA ALA 48 HA ALA 48 0.084 -7.056 1.961
391 1HB ALA 48 1HB ALA 48 -2.206 -7.199 2.782
392 2HB ALA 48 2HB ALA 48 -2.106 -6.241 1.306
393 3HB ALA 48 3HB ALA 48 -2.291 -5.440 2.868
394 H LEU 49 H LEU 49 -0.172 -3.880 3.531
395 HA LEU 49 HA LEU 49 0.257 -2.586 0.951
396 1HB LEU 49 2HB LEU 49 -1.514 -1.743 2.448
397 2HB LEU 49 1HB LEU 49 -0.297 -1.354 3.650
398 HG LEU 49 HG LEU 49 0.730 0.231 2.010
399 1HD1 LEU 49 1HD1 LEU 49 -0.124 -0.772 -0.035
400 2HD1 LEU 49 2HD1 LEU 49 -0.582 0.926 0.082
401 3HD1 LEU 49 3HD1 LEU 49 -1.769 -0.332 0.425
402 1HD2 LEU 49 1HD2 LEU 49 -0.729 1.049 3.754
403 2HD2 LEU 49 2HD2 LEU 49 -2.149 0.711 2.765
404 3HD2 LEU 49 3HD2 LEU 49 -1.005 1.957 2.268
405 H ILE 50 H ILE 50 2.389 -2.840 0.451
406 HA ILE 50 HA ILE 50 4.405 -1.877 2.331
407 HB ILE 50 HB ILE 50 4.899 -2.689 -0.526
408 1HG1 ILE 50 2HG1 ILE 50 3.687 -4.535 0.579
409 2HG1 ILE 50 1HG1 ILE 50 5.352 -4.969 0.217
410 1HG2 ILE 50 1HG2 ILE 50 6.697 -1.523 0.623
411 2HG2 ILE 50 2HG2 ILE 50 7.140 -3.202 0.308
412 3HG2 ILE 50 3HG2 ILE 50 6.644 -2.710 1.930
413 1HD1 ILE 50 1HD1 ILE 50 5.946 -4.544 2.561
414 2HD1 ILE 50 2HD1 ILE 50 4.719 -5.799 2.383
415 3HD1 ILE 50 3HD1 ILE 50 4.254 -4.180 2.902
416 H ILE 51 H ILE 51 5.576 0.057 1.996
417 HA ILE 51 HA ILE 51 4.639 1.723 -0.247
418 HB ILE 51 HB ILE 51 4.695 3.714 1.105
419 1HG1 ILE 51 2HG1 ILE 51 5.376 1.956 3.469
420 2HG1 ILE 51 1HG1 ILE 51 6.543 2.951 2.612
421 1HG2 ILE 51 1HG2 ILE 51 3.118 1.566 2.517
422 2HG2 ILE 51 2HG2 ILE 51 2.606 2.442 1.075
423 3HG2 ILE 51 3HG2 ILE 51 2.816 3.303 2.600
424 1HD1 ILE 51 1HD1 ILE 51 4.121 3.965 4.078
425 2HD1 ILE 51 2HD1 ILE 51 5.322 4.955 3.248
426 3HD1 ILE 51 3HD1 ILE 51 5.782 4.011 4.667
427 H HIS 52 H HIS 52 6.110 3.494 -0.776
428 HA HIS 52 HA HIS 52 8.829 2.793 -1.000
429 1HB HIS 52 2HB HIS 52 7.758 4.373 -2.534
430 2HB HIS 52 1HB HIS 52 7.418 5.476 -1.211
431 HD1 HIS 52 HD1 HIS 52 9.695 6.452 -0.021
432 HD2 HIS 52 HD2 HIS 52 10.027 4.981 -3.893
433 HE1 HIS 52 HE1 HIS 52 11.819 7.434 -0.919
434 HE2 HIS 52 HE2 HIS 52 11.790 6.811 -3.375
435 HA PRO 53 HA PRO 53 10.487 3.885 3.043
436 1HB PRO 53 2HB PRO 53 12.856 4.835 1.594
437 2HB PRO 53 1HB PRO 53 12.716 3.568 2.814
438 1HG PRO 53 2HG PRO 53 13.121 3.104 0.153
439 2HG PRO 53 1HG PRO 53 12.372 1.951 1.254
440 1HD PRO 53 2HD PRO 53 11.163 3.588 -0.864
441 2HD PRO 53 1HD PRO 53 10.578 2.088 -0.125
442 H ARG 54 H ARG 54 12.219 5.880 3.637
443 HA ARG 54 HA ARG 54 12.422 8.091 4.069
444 1HB ARG 54 2HB ARG 54 12.694 8.624 1.790
445 2HB ARG 54 1HB ARG 54 10.994 8.336 1.439
446 1HG ARG 54 2HG ARG 54 10.392 10.310 2.752
447 2HG ARG 54 1HG ARG 54 12.097 10.603 3.093
448 1HD ARG 54 2HD ARG 54 11.076 10.403 0.286
449 2HD ARG 54 1HD ARG 54 10.978 11.910 1.186
450 HE ARG 54 HE ARG 54 13.594 11.081 1.411
451 1HH1 ARG 54 1HH1 ARG 54 11.384 11.889 -1.194
452 2HH1 ARG 54 2HH1 ARG 54 12.637 12.501 -2.239
453 1HH2 ARG 54 1HH2 ARG 54 15.247 11.908 0.044
454 2HH2 ARG 54 2HH2 ARG 54 14.831 12.486 -1.539
455 H LEU 55 H LEU 55 9.157 7.170 3.089
456 HA LEU 55 HA LEU 55 7.949 9.248 4.701
457 1HB LEU 55 2HB LEU 55 6.990 7.205 2.760
458 2HB LEU 55 1HB LEU 55 5.838 7.883 3.896
459 HG LEU 55 HG LEU 55 7.518 9.535 2.006
460 1HD1 LEU 55 1HD1 LEU 55 5.441 9.807 0.722
461 2HD1 LEU 55 2HD1 LEU 55 4.649 8.628 1.770
462 3HD1 LEU 55 3HD1 LEU 55 5.993 8.132 0.740
463 1HD2 LEU 55 1HD2 LEU 55 5.186 10.174 3.804
464 2HD2 LEU 55 2HD2 LEU 55 5.849 11.276 2.594
465 3HD2 LEU 55 3HD2 LEU 55 6.842 10.764 3.961
466 H LYS 56 H LYS 56 9.387 6.683 5.819
467 HA LYS 56 HA LYS 56 7.399 5.035 6.922
468 1HB LYS 56 2HB LYS 56 9.859 4.489 6.726
469 2HB LYS 56 1HB LYS 56 10.114 5.489 8.153
470 1HG LYS 56 2HG LYS 56 8.642 4.054 9.448
471 2HG LYS 56 1HG LYS 56 8.315 3.076 8.018
472 1HD LYS 56 2HD LYS 56 9.932 1.904 9.300
473 2HD LYS 56 1HD LYS 56 10.778 2.592 7.914
474 1HE LYS 56 2HE LYS 56 11.607 4.406 9.293
475 2HE LYS 56 1HE LYS 56 10.709 3.792 10.680
476 1HZ LYS 56 1HZ LYS 56 13.034 3.149 10.772
477 2HZ LYS 56 2HZ LYS 56 12.905 2.368 9.271
478 3HZ LYS 56 3HZ LYS 56 12.047 1.780 10.607
479 H ASP 57 H ASP 57 9.196 7.739 8.408
480 HA ASP 57 HA ASP 57 7.910 7.655 10.910
481 1HB ASP 57 2HB ASP 57 9.981 8.948 10.449
482 2HB ASP 57 1HB ASP 57 9.034 10.090 9.503
483 H ARG 58 H ARG 58 7.252 9.764 8.123
484 HA ARG 58 HA ARG 58 4.975 11.059 9.010
485 1HB ARG 58 2HB ARG 58 6.131 11.631 6.945
486 2HB ARG 58 1HB ARG 58 5.683 10.094 6.230
487 1HG ARG 58 2HG ARG 58 4.299 11.785 5.298
488 2HG ARG 58 1HG ARG 58 3.304 10.793 6.364
489 1HD ARG 58 2HD ARG 58 3.284 12.464 8.041
490 2HD ARG 58 1HD ARG 58 4.560 13.382 7.241
491 HE ARG 58 HE ARG 58 2.776 13.562 5.368
492 1HH1 ARG 58 1HH1 ARG 58 2.141 13.595 8.812
493 2HH1 ARG 58 2HH1 ARG 58 0.719 14.586 8.676
494 1HH2 ARG 58 1HH2 ARG 58 0.930 14.902 5.183
495 2HH2 ARG 58 2HH2 ARG 58 0.033 15.337 6.609
496 H SER 59 H SER 59 5.219 7.982 7.292
497 HA SER 59 HA SER 59 2.495 7.359 7.176
498 1HB SER 59 2HB SER 59 3.948 6.171 5.753
499 2HB SER 59 1HB SER 59 5.012 5.706 7.073
500 HG SER 59 HG SER 59 2.337 4.808 6.693
501 H SER 60 H SER 60 4.943 6.347 9.606
502 HA SER 60 HA SER 60 3.195 4.737 11.098
503 1HB SER 60 2HB SER 60 4.881 5.061 12.960
504 2HB SER 60 1HB SER 60 5.527 4.454 11.437
505 HG SER 60 HG SER 60 5.570 7.155 11.481
506 H SER 61 H SER 61 3.621 8.177 11.062
507 HA SER 61 HA SER 61 2.407 8.801 13.535
508 1HB SER 61 2HB SER 61 3.728 10.426 12.217
509 2HB SER 61 1HB SER 61 2.473 10.431 10.979
510 HG SER 61 HG SER 61 1.151 10.975 13.093
511 H LEU 62 H LEU 62 1.151 7.813 10.468
512 HA LEU 62 HA LEU 62 -1.591 8.481 11.247
513 1HB LEU 62 2HB LEU 62 -0.525 7.317 8.669
514 2HB LEU 62 1HB LEU 62 -2.183 7.794 8.963
515 HG LEU 62 HG LEU 62 0.190 9.656 8.918
516 1HD1 LEU 62 1HD1 LEU 62 -0.398 8.796 6.705
517 2HD1 LEU 62 2HD1 LEU 62 -0.801 10.507 6.862
518 3HD1 LEU 62 3HD1 LEU 62 -2.073 9.287 6.961
519 1HD2 LEU 62 1HD2 LEU 62 -1.479 11.427 9.066
520 2HD2 LEU 62 2HD2 LEU 62 -1.547 10.373 10.479
521 3HD2 LEU 62 3HD2 LEU 62 -2.757 10.221 9.205
522 H ALA 63 H ALA 63 0.283 5.709 10.065
523 HA ALA 63 HA ALA 63 -1.097 3.979 11.938
524 1HB ALA 63 1HB ALA 63 -1.759 2.343 10.271
525 2HB ALA 63 2HB ALA 63 -1.131 3.372 8.983
526 3HB ALA 63 3HB ALA 63 -2.522 3.898 9.932
527 H ASP 64 H ASP 64 0.390 2.807 12.874
528 HA ASP 64 HA ASP 64 3.098 2.954 12.149
529 1HB ASP 64 2HB ASP 64 3.499 1.482 14.020
530 2HB ASP 64 1HB ASP 64 2.255 2.644 14.461
531 HA PRO 65 HA PRO 65 3.757 -0.391 9.335
532 1HB PRO 65 2HB PRO 65 6.231 -0.989 10.836
533 2HB PRO 65 1HB PRO 65 6.029 -0.522 9.146
534 1HG PRO 65 2HG PRO 65 7.044 1.176 10.951
535 2HG PRO 65 1HG PRO 65 5.997 1.737 9.633
536 1HD PRO 65 2HD PRO 65 5.341 1.280 12.516
537 2HD PRO 65 1HD PRO 65 4.813 2.586 11.433
538 H ALA 66 H ALA 66 3.360 -2.551 9.248
539 HA ALA 66 HA ALA 66 2.371 -3.821 11.606
540 1HB ALA 66 1HB ALA 66 2.859 -4.992 8.869
541 2HB ALA 66 2HB ALA 66 1.378 -4.187 9.392
542 3HB ALA 66 3HB ALA 66 1.873 -5.703 10.148
543 H SER 67 H SER 67 5.332 -3.899 9.820
544 HA SER 67 HA SER 67 6.532 -5.565 11.891
545 1HB SER 67 2HB SER 67 5.916 -7.040 9.948
546 2HB SER 67 1HB SER 67 6.963 -6.064 8.927
547 HG SER 67 HG SER 67 7.617 -7.855 10.992
548 H ASP 68 H ASP 68 9.073 -5.677 10.791
549 HA ASP 68 HA ASP 68 9.990 -2.991 11.133
550 1HB ASP 68 2HB ASP 68 11.352 -5.581 10.409
551 2HB ASP 68 1HB ASP 68 12.217 -4.055 10.421
552 H ILE 69 H ILE 69 10.928 -5.147 8.536
553 HA ILE 69 HA ILE 69 9.808 -3.470 6.455
554 HB ILE 69 HB ILE 69 12.016 -3.413 5.222
555 1HG1 ILE 69 2HG1 ILE 69 13.143 -3.996 7.969
556 2HG1 ILE 69 1HG1 ILE 69 13.164 -5.105 6.600
557 1HG2 ILE 69 1HG2 ILE 69 12.863 -1.419 6.370
558 2HG2 ILE 69 2HG2 ILE 69 11.846 -1.798 7.760
559 3HG2 ILE 69 3HG2 ILE 69 11.106 -1.396 6.211
560 1HD1 ILE 69 1HD1 ILE 69 14.555 -2.440 6.732
561 2HD1 ILE 69 2HD1 ILE 69 14.583 -3.557 5.365
562 3HD1 ILE 69 3HD1 ILE 69 15.314 -4.023 6.900
563 H LYS 70 H LYS 70 9.675 -4.636 4.448
564 HA LYS 70 HA LYS 70 10.233 -7.495 4.766
565 1HB LYS 70 2HB LYS 70 7.981 -7.132 4.057
566 2HB LYS 70 1HB LYS 70 8.492 -6.037 2.775
567 1HG LYS 70 2HG LYS 70 9.294 -7.759 1.445
568 2HG LYS 70 1HG LYS 70 9.435 -8.873 2.804
569 1HD LYS 70 2HD LYS 70 7.040 -9.113 2.916
570 2HD LYS 70 1HD LYS 70 6.822 -7.872 1.677
571 1HE LYS 70 2HE LYS 70 7.725 -9.241 -0.008
572 2HE LYS 70 1HE LYS 70 8.423 -10.359 1.161
573 1HZ LYS 70 1HZ LYS 70 6.338 -11.086 -0.058
574 2HZ LYS 70 2HZ LYS 70 5.498 -9.989 0.931
575 3HZ LYS 70 3HZ LYS 70 6.354 -11.278 1.627
576 H THR 71 H THR 71 12.166 -8.048 4.190
577 HA THR 71 HA THR 71 13.550 -6.733 2.011
578 HB THR 71 HB THR 71 15.285 -8.601 2.768
579 HG1 THR 71 HG1 THR 71 15.000 -8.989 5.037
580 1HG2 THR 71 1HG2 THR 71 16.173 -7.007 4.415
581 2HG2 THR 71 2HG2 THR 71 14.641 -6.135 4.389
582 3HG2 THR 71 3HG2 THR 71 15.649 -6.192 2.941
583 H CYS 72 H CYS 72 13.498 -7.450 -0.001
584 HA CYS 72 HA CYS 72 13.566 -10.099 -0.885
585 1HB CYS 72 2HB CYS 72 11.296 -10.198 0.162
586 2HB CYS 72 1HB CYS 72 10.771 -8.919 -0.927
587 HG CYS 72 HG CYS 72 11.762 -12.062 -1.861
588 H ASP 73 H ASP 73 13.697 -10.176 -3.167
589 HA ASP 73 HA ASP 73 14.374 -7.634 -4.320
590 1HB ASP 73 2HB ASP 73 15.554 -9.873 -4.748
591 2HB ASP 73 1HB ASP 73 14.234 -10.219 -5.858
592 H HIS 74 H HIS 74 12.098 -6.923 -3.938
593 HA HIS 74 HA HIS 74 10.815 -6.891 -6.568
594 1HB HIS 74 2HB HIS 74 9.324 -7.302 -3.968
595 2HB HIS 74 1HB HIS 74 8.550 -6.794 -5.457
596 HD1 HIS 74 HD1 HIS 74 7.870 -8.599 -7.064
597 HD2 HIS 74 HD2 HIS 74 10.371 -9.979 -4.045
598 HE1 HIS 74 HE1 HIS 74 7.847 -11.110 -7.262
599 HE2 HIS 74 HE2 HIS 74 9.188 -11.911 -5.276
600 H TYR 75 H TYR 75 11.183 -5.515 -3.357
601 HA TYR 75 HA TYR 75 10.210 -2.929 -4.305
602 1HB TYR 75 2HB TYR 75 10.981 -3.464 -1.460
603 2HB TYR 75 1HB TYR 75 9.731 -2.400 -2.092
604 HD1 TYR 75 HD1 TYR 75 10.487 -5.679 -0.819
605 HD2 TYR 75 HD2 TYR 75 7.607 -3.428 -2.998
606 HE1 TYR 75 HE1 TYR 75 8.818 -7.437 -0.419
607 HE2 TYR 75 HE2 TYR 75 5.930 -5.180 -2.597
608 HH TYR 75 HH TYR 75 5.865 -7.576 -2.096
609 H GLN 76 H GLN 76 12.255 -2.731 -5.583
610 HA GLN 76 HA GLN 76 14.671 -2.334 -4.075
611 1HB GLN 76 2HB GLN 76 15.552 -1.562 -6.324
612 2HB GLN 76 1HB GLN 76 15.032 -3.229 -6.218
613 1HG GLN 76 2HG GLN 76 12.879 -2.549 -7.258
614 2HG GLN 76 1HG GLN 76 13.555 -0.935 -7.484
615 1HE2 GLN 76 1HE2 GLN 76 12.648 -2.913 -9.449
616 2HE2 GLN 76 2HE2 GLN 76 13.996 -3.212 -10.491
617 H ASN 77 H ASN 77 12.291 -0.358 -5.748
618 HA ASN 77 HA ASN 77 11.725 1.823 -5.619
619 1HB ASN 77 2HB ASN 77 13.131 1.604 -2.955
620 2HB ASN 77 1HB ASN 77 12.273 3.048 -3.481
621 1HD2 ASN 77 1HD2 ASN 77 11.969 -0.239 -2.394
622 2HD2 ASN 77 2HD2 ASN 77 10.265 -0.193 -2.120
623 H PHE 78 H PHE 78 14.659 2.344 -3.807
624 HA PHE 78 HA PHE 78 16.101 3.505 -5.988
625 1HB PHE 78 2HB PHE 78 14.744 5.267 -3.964
626 2HB PHE 78 1HB PHE 78 16.223 5.778 -4.763
627 HD1 PHE 78 HD1 PHE 78 12.678 5.611 -4.966
628 HD2 PHE 78 HD2 PHE 78 16.219 5.832 -7.314
629 HE1 PHE 78 HE1 PHE 78 11.356 6.442 -6.870
630 HE2 PHE 78 HE2 PHE 78 14.908 6.662 -9.224
631 HZ PHE 78 HZ PHE 78 12.473 6.967 -9.002
632 HA PRO 79 HA PRO 79 18.624 4.088 -2.012
633 1HB PRO 79 2HB PRO 79 17.282 3.020 0.301
634 2HB PRO 79 1HB PRO 79 17.700 4.699 -0.048
635 1HG PRO 79 2HG PRO 79 15.124 3.753 0.042
636 2HG PRO 79 1HG PRO 79 15.624 5.163 -0.897
637 1HD PRO 79 2HD PRO 79 15.165 2.356 -1.804
638 2HD PRO 79 1HD PRO 79 14.716 3.884 -2.591
639 H LEU 80 H LEU 80 16.734 1.105 -1.645
640 HA LEU 80 HA LEU 80 17.281 -1.034 -1.040
641 1HB LEU 80 2HB LEU 80 19.418 -0.192 -2.679
642 2HB LEU 80 1HB LEU 80 20.143 -1.015 -1.310
643 HG LEU 80 HG LEU 80 18.021 -2.191 -3.113
644 1HD1 LEU 80 1HD1 LEU 80 20.128 -1.836 -4.303
645 2HD1 LEU 80 2HD1 LEU 80 19.833 -3.551 -4.019
646 3HD1 LEU 80 3HD1 LEU 80 20.999 -2.678 -3.023
647 1HD2 LEU 80 1HD2 LEU 80 19.733 -3.400 -0.952
648 2HD2 LEU 80 2HD2 LEU 80 18.624 -4.280 -2.003
649 3HD2 LEU 80 3HD2 LEU 80 18.001 -3.093 -0.858
650 H TYR 81 H TYR 81 17.899 -2.099 0.859
651 HA TYR 81 HA TYR 81 18.105 -0.420 3.089
652 1HB TYR 81 2HB TYR 81 17.139 -2.780 2.966
653 2HB TYR 81 1HB TYR 81 18.796 -3.356 3.094
654 HD1 TYR 81 HD1 TYR 81 17.634 -0.348 4.857
655 HD2 TYR 81 HD2 TYR 81 18.426 -4.515 5.181
656 HE1 TYR 81 HE1 TYR 81 17.475 -0.180 7.306
657 HE2 TYR 81 HE2 TYR 81 18.266 -4.357 7.627
658 HH TYR 81 HH TYR 81 18.340 -2.818 9.401
659 H LEU 82 H LEU 82 19.788 0.039 4.490
660 HA LEU 82 HA LEU 82 22.452 -0.853 3.633
661 1HB LEU 82 2HB LEU 82 21.666 1.831 4.775
662 2HB LEU 82 1HB LEU 82 23.323 1.299 4.556
663 HG LEU 82 HG LEU 82 21.307 1.684 2.339
664 1HD1 LEU 82 1HD1 LEU 82 22.029 3.795 3.354
665 2HD1 LEU 82 2HD1 LEU 82 22.664 3.606 1.718
666 3HD1 LEU 82 3HD1 LEU 82 23.713 3.330 3.109
667 1HD2 LEU 82 1HD2 LEU 82 24.251 1.036 2.231
668 2HD2 LEU 82 2HD2 LEU 82 23.199 1.335 0.847
669 3HD2 LEU 82 3HD2 LEU 82 22.937 -0.083 1.864
670 H GLY 83 H GLY 83 22.033 1.115 6.457
671 1HA GLY 83 2HA GLY 83 22.431 0.691 8.679
672 2HA GLY 83 1HA GLY 83 21.449 -0.744 8.429
673 H GLY 84 H GLY 84 22.623 -2.127 9.713
674 1HA GLY 84 2HA GLY 84 25.373 -2.707 8.804
675 2HA GLY 84 1HA GLY 84 24.700 -3.179 10.362
676 H GLU 85 H GLU 85 22.317 -3.590 8.217
677 HA GLU 85 HA GLU 85 22.591 -6.458 8.237
678 1HB GLU 85 2HB GLU 85 20.451 -4.535 7.408
679 2HB GLU 85 1HB GLU 85 20.338 -6.240 7.024
680 1HG GLU 85 2HG GLU 85 19.242 -6.279 9.002
681 2HG GLU 85 1HG GLU 85 20.886 -6.438 9.619
682 H THR 86 H THR 86 22.894 -3.875 6.023
683 HA THR 86 HA THR 86 24.046 -3.691 4.111
684 HB THR 86 HB THR 86 25.575 -5.389 3.346
685 HG1 THR 86 HG1 THR 86 23.881 -7.094 4.742
686 1HG2 THR 86 1HG2 THR 86 26.859 -5.756 5.405
687 2HG2 THR 86 2HG2 THR 86 25.440 -5.316 6.362
688 3HG2 THR 86 3HG2 THR 86 26.216 -4.115 5.323
689 H HIS 87 H HIS 87 21.980 -3.304 3.228
690 HA HIS 87 HA HIS 87 20.640 -3.306 1.438
691 1HB HIS 87 2HB HIS 87 22.659 -5.273 0.379
692 2HB HIS 87 1HB HIS 87 21.405 -4.538 -0.597
693 HD1 HIS 87 HD1 HIS 87 21.622 -1.963 -1.055
694 HD2 HIS 87 HD2 HIS 87 24.862 -3.686 0.883
695 HE1 HIS 87 HE1 HIS 87 23.485 -0.295 -1.251
696 HE2 HIS 87 HE2 HIS 87 25.497 -1.478 -0.303
697 H GLU 88 H GLU 88 19.912 -5.322 -0.348
698 HA GLU 88 HA GLU 88 18.479 -7.064 -0.639
699 1HB GLU 88 2HB GLU 88 19.131 -8.170 1.502
700 2HB GLU 88 1HB GLU 88 17.974 -7.137 2.339
701 1HG GLU 88 2HG GLU 88 16.142 -8.137 1.279
702 2HG GLU 88 1HG GLU 88 17.156 -8.888 0.050
703 H HIS 89 H HIS 89 16.818 -6.401 -1.625
704 HA HIS 89 HA HIS 89 15.972 -3.756 -1.454
705 1HB HIS 89 2HB HIS 89 14.466 -6.079 -2.721
706 2HB HIS 89 1HB HIS 89 14.246 -4.376 -3.096
707 HD1 HIS 89 HD1 HIS 89 14.825 -4.882 -5.601
708 HD2 HIS 89 HD2 HIS 89 17.897 -5.714 -2.928
709 HE1 HIS 89 HE1 HIS 89 16.890 -5.147 -6.998
710 HE2 HIS 89 HE2 HIS 89 18.646 -5.948 -5.386
711 H TYR 90 H TYR 90 14.424 -2.745 -0.179
712 HA TYR 90 HA TYR 90 12.747 -4.524 1.451
713 1HB TYR 90 2HB TYR 90 13.358 -3.478 3.465
714 2HB TYR 90 1HB TYR 90 14.881 -3.691 2.608
715 HD1 TYR 90 HD1 TYR 90 15.599 -1.580 1.128
716 HD2 TYR 90 HD2 TYR 90 12.912 -1.438 4.425
717 HE1 TYR 90 HE1 TYR 90 16.060 0.821 1.399
718 HE2 TYR 90 HE2 TYR 90 13.366 0.961 4.701
719 HH TYR 90 HH TYR 90 15.157 2.569 4.156
720 H GLY 91 H GLY 91 10.866 -3.652 2.301
721 1HA GLY 91 2HA GLY 91 10.165 -0.885 1.665
722 2HA GLY 91 1HA GLY 91 9.108 -2.156 1.053
723 H ILE 92 H ILE 92 8.305 -0.146 2.923
724 HA ILE 92 HA ILE 92 8.318 -1.457 5.524
725 HB ILE 92 HB ILE 92 7.038 1.180 4.772
726 1HG1 ILE 92 2HG1 ILE 92 9.062 2.035 6.193
727 2HG1 ILE 92 1HG1 ILE 92 9.792 0.495 5.760
728 1HG2 ILE 92 1HG2 ILE 92 6.073 0.167 6.766
729 2HG2 ILE 92 2HG2 ILE 92 7.012 1.603 7.178
730 3HG2 ILE 92 3HG2 ILE 92 7.683 -0.002 7.470
731 1HD1 ILE 92 1HD1 ILE 92 10.506 2.277 4.279
732 2HD1 ILE 92 2HD1 ILE 92 8.829 2.592 3.834
733 3HD1 ILE 92 3HD1 ILE 92 9.582 1.057 3.403
734 HA PRO 93 HA PRO 93 4.384 -3.305 4.490
735 1HB PRO 93 2HB PRO 93 4.283 -5.017 6.548
736 2HB PRO 93 1HB PRO 93 5.415 -5.241 5.208
737 1HG PRO 93 2HG PRO 93 5.902 -4.164 7.949
738 2HG PRO 93 1HG PRO 93 6.923 -5.222 6.962
739 1HD PRO 93 2HD PRO 93 7.271 -2.491 7.242
740 2HD PRO 93 1HD PRO 93 7.909 -3.465 5.903
741 H HIS 94 H HIS 94 2.289 -2.975 5.044
742 HA HIS 94 HA HIS 94 1.633 -1.926 7.706
743 1HB HIS 94 2HB HIS 94 0.705 -0.675 5.105
744 2HB HIS 94 1HB HIS 94 0.145 -0.223 6.711
745 HD1 HIS 94 HD1 HIS 94 3.208 -0.100 4.531
746 HD2 HIS 94 HD2 HIS 94 1.748 1.575 8.041
747 HE1 HIS 94 HE1 HIS 94 4.843 1.699 5.146
748 HE2 HIS 94 HE2 HIS 94 3.760 2.891 7.092
749 H GLY 95 H GLY 95 -0.869 -1.738 7.839
750 1HA GLY 95 2HA GLY 95 -2.501 -3.376 6.225
751 2HA GLY 95 1HA GLY 95 -1.965 -4.284 7.635
752 H PHE 96 H PHE 96 -4.632 -3.701 7.165
753 HA PHE 96 HA PHE 96 -5.278 -1.835 9.325
754 1HB PHE 96 2HB PHE 96 -6.514 -1.729 6.555
755 2HB PHE 96 1HB PHE 96 -7.016 -0.760 7.935
756 HD1 PHE 96 HD1 PHE 96 -5.678 1.090 8.719
757 HD2 PHE 96 HD2 PHE 96 -4.475 -1.225 5.358
758 HE1 PHE 96 HE1 PHE 96 -4.049 2.829 8.110
759 HE2 PHE 96 HE2 PHE 96 -2.843 0.508 4.743
760 HZ PHE 96 HZ PHE 96 -2.629 2.538 6.120
761 H SER 97 H SER 97 -8.125 -1.985 8.557
762 HA SER 97 HA SER 97 -8.811 -4.801 8.700
763 1HB SER 97 2HB SER 97 -9.687 -2.896 10.893
764 2HB SER 97 1HB SER 97 -10.014 -4.625 10.794
765 HG SER 97 HG SER 97 -7.629 -4.847 10.856
766 H SER 98 H SER 98 -9.804 -1.410 8.759
767 HA SER 98 HA SER 98 -12.211 -2.154 7.246
768 1HB SER 98 2HB SER 98 -11.663 0.383 8.809
769 2HB SER 98 1HB SER 98 -13.169 -0.026 7.985
770 HG SER 98 HG SER 98 -13.345 -1.840 9.391
771 H ARG 99 H ARG 99 -12.431 -1.477 5.212
772 HA ARG 99 HA ARG 99 -10.221 -0.488 3.791
773 1HB ARG 99 2HB ARG 99 -11.811 -0.244 1.889
774 2HB ARG 99 1HB ARG 99 -11.858 -1.823 2.659
775 1HG ARG 99 2HG ARG 99 -13.867 -1.097 3.911
776 2HG ARG 99 1HG ARG 99 -13.840 0.413 3.002
777 1HD ARG 99 2HD ARG 99 -15.416 -1.145 2.013
778 2HD ARG 99 1HD ARG 99 -14.072 -0.844 0.914
779 HE ARG 99 HE ARG 99 -13.370 -3.036 1.174
780 1HH1 ARG 99 1HH1 ARG 99 -16.061 -2.348 3.324
781 2HH1 ARG 99 2HH1 ARG 99 -16.299 -4.015 3.745
782 1HH2 ARG 99 1HH2 ARG 99 -13.708 -5.199 1.679
783 2HH2 ARG 99 2HH2 ARG 99 -14.956 -5.653 2.803
784 H ILE 100 H ILE 100 -12.975 1.151 5.217
785 HA ILE 100 HA ILE 100 -12.634 3.671 4.036
786 HB ILE 100 HB ILE 100 -14.617 2.902 5.385
787 1HG1 ILE 100 2HG1 ILE 100 -14.042 5.350 4.755
788 2HG1 ILE 100 1HG1 ILE 100 -15.296 5.062 5.951
789 1HG2 ILE 100 1HG2 ILE 100 -13.448 1.991 7.289
790 2HG2 ILE 100 2HG2 ILE 100 -14.585 3.239 7.804
791 3HG2 ILE 100 3HG2 ILE 100 -12.858 3.595 7.722
792 1HD1 ILE 100 1HD1 ILE 100 -12.455 5.884 6.505
793 2HD1 ILE 100 2HD1 ILE 100 -13.676 5.545 7.730
794 3HD1 ILE 100 3HD1 ILE 100 -13.891 6.901 6.622
795 H ALA 101 H ALA 101 -10.998 2.128 6.746
796 HA ALA 101 HA ALA 101 -9.657 4.448 7.688
797 1HB ALA 101 1HB ALA 101 -9.857 2.484 9.102
798 2HB ALA 101 2HB ALA 101 -8.155 2.882 8.844
799 3HB ALA 101 3HB ALA 101 -8.893 1.542 7.963
800 H LEU 102 H LEU 102 -8.794 1.858 5.435
801 HA LEU 102 HA LEU 102 -6.249 2.856 4.735
802 1HB LEU 102 2HB LEU 102 -6.905 0.602 4.161
803 2HB LEU 102 1HB LEU 102 -8.224 1.193 3.169
804 HG LEU 102 HG LEU 102 -6.600 2.159 1.589
805 1HD1 LEU 102 1HD1 LEU 102 -4.228 1.598 1.782
806 2HD1 LEU 102 2HD1 LEU 102 -4.534 0.844 3.348
807 3HD1 LEU 102 3HD1 LEU 102 -4.768 2.580 3.144
808 1HD2 LEU 102 1HD2 LEU 102 -6.157 -0.758 2.202
809 2HD2 LEU 102 2HD2 LEU 102 -5.785 0.045 0.677
810 3HD2 LEU 102 3HD2 LEU 102 -7.458 -0.085 1.220
811 H GLU 103 H GLU 103 -9.476 3.514 3.516
812 HA GLU 103 HA GLU 103 -8.893 5.093 1.306
813 1HB GLU 103 2HB GLU 103 -11.160 4.234 2.229
814 2HB GLU 103 1HB GLU 103 -11.151 5.693 3.203
815 1HG GLU 103 2HG GLU 103 -10.863 5.803 0.224
816 2HG GLU 103 1HG GLU 103 -12.439 5.729 1.006
817 H ARG 104 H ARG 104 -9.694 6.258 4.586
818 HA ARG 104 HA ARG 104 -8.979 8.934 4.078
819 1HB ARG 104 2HB ARG 104 -9.057 9.212 6.531
820 2HB ARG 104 1HB ARG 104 -10.467 8.381 5.894
821 1HG ARG 104 2HG ARG 104 -9.355 6.222 6.553
822 2HG ARG 104 1HG ARG 104 -8.152 7.197 7.401
823 1HD ARG 104 2HD ARG 104 -11.126 7.307 7.908
824 2HD ARG 104 1HD ARG 104 -9.982 6.370 8.866
825 HE ARG 104 HE ARG 104 -8.960 8.473 9.546
826 1HH1 ARG 104 1HH1 ARG 104 -12.131 8.646 8.077
827 2HH1 ARG 104 2HH1 ARG 104 -12.531 10.172 8.797
828 1HH2 ARG 104 1HH2 ARG 104 -9.482 10.458 10.516
829 2HH2 ARG 104 2HH2 ARG 104 -11.020 11.205 10.202
830 H TYR 105 H TYR 105 -7.124 6.183 5.089
831 HA TYR 105 HA TYR 105 -4.802 7.438 6.030
832 1HB TYR 105 2HB TYR 105 -5.344 4.988 6.161
833 2HB TYR 105 1HB TYR 105 -4.949 4.863 4.450
834 HD1 TYR 105 HD1 TYR 105 -3.544 5.818 7.737
835 HD2 TYR 105 HD2 TYR 105 -2.726 4.513 3.773
836 HE1 TYR 105 HE1 TYR 105 -1.187 5.475 8.340
837 HE2 TYR 105 HE2 TYR 105 -0.364 4.161 4.369
838 HH TYR 105 HH TYR 105 0.719 4.261 7.645
839 H LEU 106 H LEU 106 -5.689 6.377 2.757
840 HA LEU 106 HA LEU 106 -3.342 7.169 1.450
841 1HB LEU 106 2HB LEU 106 -6.154 7.067 0.358
842 2HB LEU 106 1HB LEU 106 -4.687 7.115 -0.602
843 HG LEU 106 HG LEU 106 -5.503 4.875 1.253
844 1HD1 LEU 106 1HD1 LEU 106 -6.882 4.961 -0.742
845 2HD1 LEU 106 2HD1 LEU 106 -5.777 3.590 -0.816
846 3HD1 LEU 106 3HD1 LEU 106 -5.442 5.045 -1.755
847 1HD2 LEU 106 1HD2 LEU 106 -3.079 5.150 1.149
848 2HD2 LEU 106 2HD2 LEU 106 -3.146 5.116 -0.614
849 3HD2 LEU 106 3HD2 LEU 106 -3.591 3.683 0.313
850 H ASN 107 H ASN 107 -6.185 8.969 2.385
851 HA ASN 107 HA ASN 107 -5.704 11.285 0.835
852 1HB ASN 107 2HB ASN 107 -7.330 10.749 3.314
853 2HB ASN 107 1HB ASN 107 -7.214 12.356 2.624
854 1HD2 ASN 107 1HD2 ASN 107 -8.418 9.130 2.182
855 2HD2 ASN 107 2HD2 ASN 107 -9.515 9.493 0.893
856 H GLY 108 H GLY 108 -4.917 10.427 4.189
857 1HA GLY 108 2HA GLY 108 -3.734 12.957 4.765
858 2HA GLY 108 1HA GLY 108 -3.601 11.503 5.743
859 H LEU 109 H LEU 109 -2.379 9.783 3.921
860 HA LEU 109 HA LEU 109 0.313 10.742 4.266
861 1HB LEU 109 2HB LEU 109 -0.330 8.433 4.820
862 2HB LEU 109 1HB LEU 109 -0.686 8.130 3.131
863 HG LEU 109 HG LEU 109 1.688 8.479 2.569
864 1HD1 LEU 109 1HD1 LEU 109 2.072 8.730 5.550
865 2HD1 LEU 109 2HD1 LEU 109 2.230 10.039 4.378
866 3HD1 LEU 109 3HD1 LEU 109 3.349 8.675 4.334
867 1HD2 LEU 109 1HD2 LEU 109 0.876 6.228 3.075
868 2HD2 LEU 109 2HD2 LEU 109 1.248 6.474 4.781
869 3HD2 LEU 109 3HD2 LEU 109 2.550 6.437 3.590
870 H PHE 110 H PHE 110 -1.712 9.833 1.485
871 HA PHE 110 HA PHE 110 0.509 10.600 -0.271
872 1HB PHE 110 2HB PHE 110 -1.911 8.884 -0.834
873 2HB PHE 110 1HB PHE 110 -0.671 9.292 -2.018
874 HD1 PHE 110 HD1 PHE 110 -1.719 6.880 0.275
875 HD2 PHE 110 HD2 PHE 110 1.798 8.755 -1.211
876 HE1 PHE 110 HE1 PHE 110 -0.378 4.963 1.037
877 HE2 PHE 110 HE2 PHE 110 3.147 6.840 -0.454
878 HZ PHE 110 HZ PHE 110 2.058 4.942 0.672
879 H GLY 111 H GLY 111 -2.249 11.928 0.931
880 1HA GLY 111 2HA GLY 111 -2.567 13.619 -1.456
881 2HA GLY 111 1HA GLY 111 -3.804 13.397 -0.226
882 H ASP 112 H ASP 112 -0.372 14.322 -0.335
883 HA ASP 112 HA ASP 112 -0.835 16.056 1.939
884 1HB ASP 112 2HB ASP 112 1.013 14.359 1.941
885 2HB ASP 112 1HB ASP 112 1.770 15.306 0.663
Start of MODEL 6
1 1H MET 1 1HT MET 1 -11.995 -9.076 11.341
2 2H MET 1 2HT MET 1 -11.904 -7.571 10.561
3 3H MET 1 3HT MET 1 -10.646 -8.076 11.580
4 HA MET 1 HA MET 1 -10.070 -9.855 10.107
5 1HB MET 1 2HB MET 1 -12.346 -8.765 8.434
6 2HB MET 1 1HB MET 1 -11.143 -9.896 7.834
7 1HG MET 1 2HG MET 1 -11.852 -11.540 9.476
8 2HG MET 1 1HG MET 1 -13.039 -10.404 10.112
9 1HE MET 1 1HE MET 1 -14.125 -9.033 7.438
10 2HE MET 1 2HE MET 1 -15.150 -9.563 8.773
11 3HE MET 1 3HE MET 1 -15.529 -10.050 7.120
12 H TYR 2 H TYR 2 -8.326 -9.426 8.860
13 HA TYR 2 HA TYR 2 -7.637 -6.651 8.486
14 1HB TYR 2 2HB TYR 2 -6.181 -9.215 7.843
15 2HB TYR 2 1HB TYR 2 -5.521 -7.623 7.499
16 HD1 TYR 2 HD1 TYR 2 -6.489 -9.955 10.182
17 HD2 TYR 2 HD2 TYR 2 -4.599 -6.266 9.236
18 HE1 TYR 2 HE1 TYR 2 -5.556 -9.861 12.454
19 HE2 TYR 2 HE2 TYR 2 -3.658 -6.154 11.500
20 HH TYR 2 HH TYR 2 -3.592 -8.797 13.594
21 H LEU 3 H LEU 3 -6.790 -5.867 6.407
22 HA LEU 3 HA LEU 3 -8.626 -6.547 4.268
23 1HB LEU 3 2HB LEU 3 -6.442 -4.459 4.380
24 2HB LEU 3 1HB LEU 3 -7.629 -4.625 3.101
25 HG LEU 3 HG LEU 3 -8.216 -3.885 5.970
26 1HD1 LEU 3 1HD1 LEU 3 -8.286 -2.260 3.431
27 2HD1 LEU 3 2HD1 LEU 3 -7.134 -2.086 4.757
28 3HD1 LEU 3 3HD1 LEU 3 -8.839 -1.714 5.014
29 1HD2 LEU 3 1HD2 LEU 3 -10.495 -3.504 5.195
30 2HD2 LEU 3 2HD2 LEU 3 -10.023 -5.188 4.976
31 3HD2 LEU 3 3HD2 LEU 3 -10.057 -4.094 3.592
32 H ARG 4 H ARG 4 -8.156 -7.931 2.695
33 HA ARG 4 HA ARG 4 -5.597 -9.168 2.479
34 1HB ARG 4 2HB ARG 4 -7.903 -9.225 0.520
35 2HB ARG 4 1HB ARG 4 -6.500 -10.277 0.473
36 1HG ARG 4 2HG ARG 4 -7.909 -11.691 1.497
37 2HG ARG 4 1HG ARG 4 -7.366 -10.828 2.937
38 1HD ARG 4 2HD ARG 4 -9.331 -9.640 3.138
39 2HD ARG 4 1HD ARG 4 -9.703 -9.769 1.417
40 HE ARG 4 HE ARG 4 -9.877 -12.105 3.212
41 1HH1 ARG 4 1HH1 ARG 4 -11.301 -9.934 0.857
42 2HH1 ARG 4 2HH1 ARG 4 -12.722 -10.906 0.624
43 1HH2 ARG 4 1HH2 ARG 4 -11.709 -13.413 2.876
44 2HH2 ARG 4 2HH2 ARG 4 -12.946 -12.905 1.763
45 HA PRO 5 HA PRO 5 -3.370 -6.637 -0.460
46 1HB PRO 5 2HB PRO 5 -2.888 -8.608 -2.402
47 2HB PRO 5 1HB PRO 5 -1.837 -8.209 -1.042
48 1HG PRO 5 2HG PRO 5 -3.841 -10.399 -1.311
49 2HG PRO 5 1HG PRO 5 -2.272 -10.404 -0.482
50 1HD PRO 5 2HD PRO 5 -4.549 -10.256 0.898
51 2HD PRO 5 1HD PRO 5 -3.124 -9.316 1.393
52 H ASP 6 H ASP 6 -5.732 -8.922 -1.736
53 HA ASP 6 HA ASP 6 -6.326 -7.678 -4.166
54 1HB ASP 6 2HB ASP 6 -7.108 -9.902 -3.762
55 2HB ASP 6 1HB ASP 6 -7.983 -9.401 -2.320
56 H GLU 7 H GLU 7 -7.673 -7.210 -0.942
57 HA GLU 7 HA GLU 7 -9.735 -5.422 -1.760
58 1HB GLU 7 2HB GLU 7 -9.551 -6.884 0.381
59 2HB GLU 7 1HB GLU 7 -8.590 -5.561 1.019
60 1HG GLU 7 2HG GLU 7 -10.855 -5.327 1.756
61 2HG GLU 7 1HG GLU 7 -10.478 -4.032 0.622
62 H VAL 8 H VAL 8 -6.515 -5.056 -0.354
63 HA VAL 8 HA VAL 8 -6.561 -2.264 -0.000
64 HB VAL 8 HB VAL 8 -4.184 -4.063 -0.515
65 1HG1 VAL 8 1HG1 VAL 8 -3.630 -1.728 -0.925
66 2HG1 VAL 8 2HG1 VAL 8 -2.855 -2.303 0.551
67 3HG1 VAL 8 3HG1 VAL 8 -4.291 -1.284 0.647
68 1HG2 VAL 8 1HG2 VAL 8 -5.432 -4.763 1.441
69 2HG2 VAL 8 2HG2 VAL 8 -5.429 -3.113 2.065
70 3HG2 VAL 8 3HG2 VAL 8 -3.916 -4.009 1.934
71 H ALA 9 H ALA 9 -5.187 -4.210 -2.656
72 HA ALA 9 HA ALA 9 -4.323 -2.057 -4.229
73 1HB ALA 9 1HB ALA 9 -4.162 -3.649 -6.040
74 2HB ALA 9 2HB ALA 9 -5.206 -4.778 -5.175
75 3HB ALA 9 3HB ALA 9 -3.605 -4.393 -4.539
76 H ARG 10 H ARG 10 -7.407 -3.727 -4.066
77 HA ARG 10 HA ARG 10 -8.626 -2.604 -6.322
78 1HB ARG 10 2HB ARG 10 -9.391 -4.551 -4.847
79 2HB ARG 10 1HB ARG 10 -10.080 -3.327 -3.789
80 1HG ARG 10 2HG ARG 10 -11.680 -2.705 -5.339
81 2HG ARG 10 1HG ARG 10 -10.764 -3.364 -6.696
82 1HD ARG 10 2HD ARG 10 -12.203 -4.918 -4.551
83 2HD ARG 10 1HD ARG 10 -12.656 -4.788 -6.251
84 HE ARG 10 HE ARG 10 -10.676 -6.519 -5.110
85 1HH1 ARG 10 1HH1 ARG 10 -11.599 -4.816 -8.039
86 2HH1 ARG 10 2HH1 ARG 10 -10.747 -5.909 -9.080
87 1HH2 ARG 10 1HH2 ARG 10 -9.544 -7.940 -6.482
88 2HH2 ARG 10 2HH2 ARG 10 -9.575 -7.668 -8.208
89 H VAL 11 H VAL 11 -8.506 -1.496 -2.964
90 HA VAL 11 HA VAL 11 -10.110 0.798 -3.360
91 HB VAL 11 HB VAL 11 -8.078 0.128 -1.233
92 1HG1 VAL 11 1HG1 VAL 11 -8.875 2.037 0.036
93 2HG1 VAL 11 2HG1 VAL 11 -9.953 2.494 -1.282
94 3HG1 VAL 11 3HG1 VAL 11 -8.205 2.579 -1.502
95 1HG2 VAL 11 1HG2 VAL 11 -11.089 0.255 -1.246
96 2HG2 VAL 11 2HG2 VAL 11 -10.088 -0.117 0.159
97 3HG2 VAL 11 3HG2 VAL 11 -10.104 -1.208 -1.225
98 H LEU 12 H LEU 12 -6.668 0.179 -3.729
99 HA LEU 12 HA LEU 12 -5.799 2.820 -4.069
100 1HB LEU 12 2HB LEU 12 -4.772 0.273 -5.318
101 2HB LEU 12 1HB LEU 12 -3.941 1.815 -5.407
102 HG LEU 12 HG LEU 12 -4.528 0.276 -2.875
103 1HD1 LEU 12 1HD1 LEU 12 -2.104 -0.044 -2.796
104 2HD1 LEU 12 2HD1 LEU 12 -1.953 0.740 -4.369
105 3HD1 LEU 12 3HD1 LEU 12 -2.821 -0.790 -4.224
106 1HD2 LEU 12 1HD2 LEU 12 -2.994 2.834 -3.310
107 2HD2 LEU 12 2HD2 LEU 12 -3.109 1.946 -1.791
108 3HD2 LEU 12 3HD2 LEU 12 -4.549 2.679 -2.495
109 H GLU 13 H GLU 13 -7.174 0.517 -6.394
110 HA GLU 13 HA GLU 13 -7.004 2.000 -8.733
111 1HB GLU 13 2HB GLU 13 -9.468 0.469 -7.906
112 2HB GLU 13 1HB GLU 13 -8.858 0.735 -9.526
113 1HG GLU 13 2HG GLU 13 -7.040 -0.772 -9.162
114 2HG GLU 13 1HG GLU 13 -7.469 -0.932 -7.456
115 H LYS 14 H LYS 14 -9.556 1.934 -6.308
116 HA LYS 14 HA LYS 14 -11.209 3.925 -7.389
117 1HB LYS 14 2HB LYS 14 -10.854 2.822 -4.614
118 2HB LYS 14 1HB LYS 14 -12.061 4.039 -4.975
119 1HG LYS 14 2HG LYS 14 -13.448 2.507 -5.783
120 2HG LYS 14 1HG LYS 14 -12.206 1.897 -6.879
121 1HD LYS 14 2HD LYS 14 -11.254 0.687 -4.842
122 2HD LYS 14 1HD LYS 14 -12.789 1.058 -4.053
123 1HE LYS 14 2HE LYS 14 -12.866 -1.158 -5.024
124 2HE LYS 14 1HE LYS 14 -13.978 -0.086 -5.872
125 1HZ LYS 14 1HZ LYS 14 -12.736 -1.462 -7.415
126 2HZ LYS 14 2HZ LYS 14 -11.267 -0.863 -6.819
127 3HZ LYS 14 3HZ LYS 14 -12.335 0.172 -7.633
128 H ALA 15 H ALA 15 -8.513 4.135 -5.154
129 HA ALA 15 HA ALA 15 -8.878 6.842 -4.422
130 1HB ALA 15 1HB ALA 15 -6.329 5.240 -4.400
131 2HB ALA 15 2HB ALA 15 -7.545 5.239 -3.122
132 3HB ALA 15 3HB ALA 15 -6.654 6.717 -3.489
133 H GLY 16 H GLY 16 -7.845 5.511 -7.368
134 1HA GLY 16 2HA GLY 16 -7.640 6.996 -9.254
135 2HA GLY 16 1HA GLY 16 -6.924 8.188 -8.187
136 H PHE 17 H PHE 17 -5.724 5.088 -7.612
137 HA PHE 17 HA PHE 17 -3.148 5.903 -8.641
138 1HB PHE 17 2HB PHE 17 -4.087 3.550 -7.019
139 2HB PHE 17 1HB PHE 17 -2.455 3.653 -7.660
140 HD1 PHE 17 HD1 PHE 17 -4.872 5.629 -5.621
141 HD2 PHE 17 HD2 PHE 17 -0.811 4.596 -6.360
142 HE1 PHE 17 HE1 PHE 17 -4.185 6.922 -3.645
143 HE2 PHE 17 HE2 PHE 17 -0.116 5.892 -4.389
144 HZ PHE 17 HZ PHE 17 -1.807 7.057 -3.027
145 H THR 18 H THR 18 -1.777 4.178 -9.698
146 HA THR 18 HA THR 18 -3.276 2.458 -11.541
147 HB THR 18 HB THR 18 -1.546 3.124 -13.324
148 HG1 THR 18 HG1 THR 18 -0.824 4.756 -11.291
149 1HG2 THR 18 1HG2 THR 18 -3.903 3.738 -13.493
150 2HG2 THR 18 2HG2 THR 18 -2.877 5.053 -14.063
151 3HG2 THR 18 3HG2 THR 18 -3.621 5.145 -12.468
152 H VAL 19 H VAL 19 -1.654 0.938 -12.703
153 HA VAL 19 HA VAL 19 -0.066 -0.249 -10.592
154 HB VAL 19 HB VAL 19 -1.571 -1.600 -12.058
155 1HG1 VAL 19 1HG1 VAL 19 0.531 -1.123 -14.161
156 2HG1 VAL 19 2HG1 VAL 19 -1.104 -0.463 -14.169
157 3HG1 VAL 19 3HG1 VAL 19 -0.858 -2.205 -14.295
158 1HG2 VAL 19 1HG2 VAL 19 0.221 -2.656 -10.773
159 2HG2 VAL 19 2HG2 VAL 19 1.330 -2.421 -12.122
160 3HG2 VAL 19 3HG2 VAL 19 -0.057 -3.494 -12.298
161 H ASP 20 H ASP 20 2.118 -0.808 -10.745
162 HA ASP 20 HA ASP 20 3.690 0.789 -12.667
163 1HB ASP 20 2HB ASP 20 3.973 1.599 -10.376
164 2HB ASP 20 1HB ASP 20 4.387 -0.024 -9.833
165 H VAL 21 H VAL 21 4.211 -1.977 -10.485
166 HA VAL 21 HA VAL 21 5.157 -3.532 -12.779
167 HB VAL 21 HB VAL 21 7.182 -2.741 -11.747
168 1HG1 VAL 21 1HG1 VAL 21 7.730 -3.194 -9.394
169 2HG1 VAL 21 2HG1 VAL 21 6.101 -3.824 -9.150
170 3HG1 VAL 21 3HG1 VAL 21 6.337 -2.126 -9.560
171 1HG2 VAL 21 1HG2 VAL 21 6.657 -5.602 -10.959
172 2HG2 VAL 21 2HG2 VAL 21 8.247 -4.853 -11.103
173 3HG2 VAL 21 3HG2 VAL 21 7.225 -5.035 -12.528
174 H VAL 22 H VAL 22 4.005 -5.339 -12.925
175 HA VAL 22 HA VAL 22 2.679 -6.327 -10.493
176 HB VAL 22 HB VAL 22 1.124 -5.735 -12.255
177 1HG1 VAL 22 1HG1 VAL 22 2.581 -7.728 -13.988
178 2HG1 VAL 22 2HG1 VAL 22 2.575 -5.975 -14.192
179 3HG1 VAL 22 3HG1 VAL 22 1.086 -6.894 -14.409
180 1HG2 VAL 22 1HG2 VAL 22 -0.081 -7.859 -12.483
181 2HG2 VAL 22 2HG2 VAL 22 0.529 -7.621 -10.846
182 3HG2 VAL 22 3HG2 VAL 22 1.357 -8.725 -11.944
183 H THR 23 H THR 23 3.294 -8.192 -9.618
184 HA THR 23 HA THR 23 4.559 -10.207 -11.341
185 HB THR 23 HB THR 23 6.223 -10.772 -9.690
186 HG1 THR 23 HG1 THR 23 5.308 -8.618 -8.067
187 1HG2 THR 23 1HG2 THR 23 6.203 -7.779 -10.096
188 2HG2 THR 23 2HG2 THR 23 6.878 -8.974 -11.203
189 3HG2 THR 23 3HG2 THR 23 7.602 -8.740 -9.612
190 H ASN 24 H ASN 24 4.620 -12.362 -10.160
191 HA ASN 24 HA ASN 24 2.005 -13.048 -9.385
192 1HB ASN 24 2HB ASN 24 2.873 -15.266 -8.925
193 2HB ASN 24 1HB ASN 24 3.590 -14.648 -10.409
194 1HD2 ASN 24 1HD2 ASN 24 4.460 -16.700 -8.453
195 2HD2 ASN 24 2HD2 ASN 24 6.069 -16.246 -8.016
196 H LYS 25 H LYS 25 4.481 -11.617 -7.584
197 HA LYS 25 HA LYS 25 3.299 -12.581 -5.068
198 1HB LYS 25 2HB LYS 25 6.118 -11.660 -5.631
199 2HB LYS 25 1HB LYS 25 5.495 -11.997 -4.023
200 1HG LYS 25 2HG LYS 25 5.082 -14.306 -4.647
201 2HG LYS 25 1HG LYS 25 5.666 -13.979 -6.279
202 1HD LYS 25 2HD LYS 25 7.864 -13.468 -5.431
203 2HD LYS 25 1HD LYS 25 7.299 -13.643 -3.770
204 1HE LYS 25 2HE LYS 25 7.297 -15.844 -5.829
205 2HE LYS 25 1HE LYS 25 8.537 -15.620 -4.598
206 1HZ LYS 25 1HZ LYS 25 7.008 -17.240 -3.819
207 2HZ LYS 25 2HZ LYS 25 5.669 -16.257 -4.164
208 3HZ LYS 25 3HZ LYS 25 6.739 -15.831 -2.914
209 H THR 26 H THR 26 3.543 -9.829 -7.034
210 HA THR 26 HA THR 26 2.757 -8.158 -4.778
211 HB THR 26 HB THR 26 4.286 -6.314 -5.410
212 HG1 THR 26 HG1 THR 26 5.841 -6.592 -6.894
213 1HG2 THR 26 1HG2 THR 26 6.268 -7.200 -4.350
214 2HG2 THR 26 2HG2 THR 26 5.693 -8.844 -4.616
215 3HG2 THR 26 3HG2 THR 26 4.813 -7.764 -3.532
216 H TYR 27 H TYR 27 1.813 -6.175 -5.318
217 HA TYR 27 HA TYR 27 1.510 -5.692 -8.181
218 1HB TYR 27 2HB TYR 27 -0.457 -4.980 -5.998
219 2HB TYR 27 1HB TYR 27 -0.588 -4.436 -7.658
220 HD1 TYR 27 HD1 TYR 27 -0.648 -6.349 -9.453
221 HD2 TYR 27 HD2 TYR 27 -1.599 -6.876 -5.341
222 HE1 TYR 27 HE1 TYR 27 -1.970 -8.331 -10.024
223 HE2 TYR 27 HE2 TYR 27 -2.923 -8.870 -5.897
224 HH TYR 27 HH TYR 27 -4.187 -9.720 -7.978
225 H GLY 28 H GLY 28 3.209 -4.319 -8.450
226 1HA GLY 28 2HA GLY 28 3.802 -2.158 -6.706
227 2HA GLY 28 1HA GLY 28 4.319 -2.306 -8.385
228 H TYR 29 H TYR 29 2.806 -0.255 -6.473
229 HA TYR 29 HA TYR 29 0.845 0.518 -8.517
230 1HB TYR 29 2HB TYR 29 0.381 -0.292 -5.769
231 2HB TYR 29 1HB TYR 29 -0.256 1.312 -6.084
232 HD1 TYR 29 HD1 TYR 29 -2.083 1.631 -7.664
233 HD2 TYR 29 HD2 TYR 29 -0.512 -2.249 -6.909
234 HE1 TYR 29 HE1 TYR 29 -4.029 0.630 -8.783
235 HE2 TYR 29 HE2 TYR 29 -2.456 -3.264 -8.028
236 HH TYR 29 HH TYR 29 -4.859 -2.586 -8.515
237 H ARG 30 H ARG 30 0.527 2.724 -8.792
238 HA ARG 30 HA ARG 30 2.165 4.578 -7.252
239 1HB ARG 30 2HB ARG 30 3.332 5.391 -9.285
240 2HB ARG 30 1HB ARG 30 3.765 3.736 -8.872
241 1HG ARG 30 2HG ARG 30 2.287 2.888 -10.587
242 2HG ARG 30 1HG ARG 30 1.745 4.522 -10.962
243 1HD ARG 30 2HD ARG 30 3.932 5.126 -11.747
244 2HD ARG 30 1HD ARG 30 4.597 3.581 -11.212
245 HE ARG 30 HE ARG 30 2.526 3.024 -12.984
246 1HH1 ARG 30 1HH1 ARG 30 5.649 4.607 -13.065
247 2HH1 ARG 30 2HH1 ARG 30 5.973 4.154 -14.706
248 1HH2 ARG 30 1HH2 ARG 30 2.947 2.448 -15.151
249 2HH2 ARG 30 2HH2 ARG 30 4.434 2.938 -15.898
250 H ARG 31 H ARG 31 1.695 6.769 -7.669
251 HA ARG 31 HA ARG 31 -0.134 7.432 -9.823
252 1HB ARG 31 2HB ARG 31 -1.600 6.990 -7.836
253 2HB ARG 31 1HB ARG 31 -0.759 8.280 -6.988
254 1HG ARG 31 2HG ARG 31 -1.476 9.843 -8.780
255 2HG ARG 31 1HG ARG 31 -2.434 8.535 -9.472
256 1HD ARG 31 2HD ARG 31 -3.796 10.023 -8.083
257 2HD ARG 31 1HD ARG 31 -3.746 8.386 -7.441
258 HE ARG 31 HE ARG 31 -2.991 9.303 -5.517
259 1HH1 ARG 31 1HH1 ARG 31 -1.806 11.366 -8.121
260 2HH1 ARG 31 2HH1 ARG 31 -0.978 12.440 -7.036
261 1HH2 ARG 31 1HH2 ARG 31 -1.886 10.745 -4.132
262 2HH2 ARG 31 2HH2 ARG 31 -1.011 12.090 -4.804
263 H GLY 32 H GLY 32 2.007 8.230 -10.463
264 1HA GLY 32 2HA GLY 32 3.091 10.276 -10.949
265 2HA GLY 32 1HA GLY 32 2.477 10.938 -9.440
266 H GLU 33 H GLU 33 4.062 11.371 -8.073
267 HA GLU 33 HA GLU 33 6.575 9.923 -8.288
268 1HB GLU 33 2HB GLU 33 5.773 12.331 -6.655
269 2HB GLU 33 1HB GLU 33 7.378 11.610 -6.621
270 1HG GLU 33 2HG GLU 33 6.017 12.913 -8.965
271 2HG GLU 33 1HG GLU 33 7.427 13.493 -8.079
272 H ASN 34 H ASN 34 3.766 9.487 -6.613
273 HA ASN 34 HA ASN 34 5.107 8.334 -4.283
274 1HB ASN 34 2HB ASN 34 2.751 7.937 -3.449
275 2HB ASN 34 1HB ASN 34 3.214 9.625 -3.636
276 1HD2 ASN 34 1HD2 ASN 34 2.187 10.890 -5.116
277 2HD2 ASN 34 2HD2 ASN 34 0.809 10.361 -6.020
278 H TYR 35 H TYR 35 5.367 6.223 -4.000
279 HA TYR 35 HA TYR 35 4.099 4.371 -5.900
280 1HB TYR 35 2HB TYR 35 7.008 4.301 -5.051
281 2HB TYR 35 1HB TYR 35 6.214 3.138 -6.105
282 HD1 TYR 35 HD1 TYR 35 7.625 6.506 -5.859
283 HD2 TYR 35 HD2 TYR 35 5.706 3.703 -8.416
284 HE1 TYR 35 HE1 TYR 35 8.258 7.863 -7.807
285 HE2 TYR 35 HE2 TYR 35 6.329 5.053 -10.375
286 HH TYR 35 HH TYR 35 7.006 7.224 -10.980
287 H VAL 36 H VAL 36 3.375 2.502 -5.011
288 HA VAL 36 HA VAL 36 4.337 1.727 -2.348
289 HB VAL 36 HB VAL 36 2.097 1.180 -1.576
290 1HG1 VAL 36 1HG1 VAL 36 2.240 4.028 -2.558
291 2HG1 VAL 36 2HG1 VAL 36 2.939 3.405 -1.063
292 3HG1 VAL 36 3HG1 VAL 36 1.189 3.425 -1.276
293 1HG2 VAL 36 1HG2 VAL 36 0.096 1.823 -2.803
294 2HG2 VAL 36 2HG2 VAL 36 1.064 0.680 -3.736
295 3HG2 VAL 36 3HG2 VAL 36 1.088 2.395 -4.146
296 H TYR 37 H TYR 37 3.962 -0.554 -1.870
297 HA TYR 37 HA TYR 37 3.540 -2.167 -4.306
298 1HB TYR 37 2HB TYR 37 5.518 -2.639 -2.070
299 2HB TYR 37 1HB TYR 37 5.165 -3.800 -3.342
300 HD1 TYR 37 HD1 TYR 37 5.889 -3.371 -5.649
301 HD2 TYR 37 HD2 TYR 37 6.872 -0.707 -2.483
302 HE1 TYR 37 HE1 TYR 37 7.624 -2.346 -7.057
303 HE2 TYR 37 HE2 TYR 37 8.604 0.326 -3.883
304 HH TYR 37 HH TYR 37 8.807 -0.106 -7.186
305 H VAL 38 H VAL 38 1.747 -3.322 -4.124
306 HA VAL 38 HA VAL 38 0.661 -3.990 -1.529
307 HB VAL 38 HB VAL 38 -0.316 -4.880 -4.244
308 1HG1 VAL 38 1HG1 VAL 38 -1.684 -4.771 -1.565
309 2HG1 VAL 38 2HG1 VAL 38 -1.189 -6.224 -2.432
310 3HG1 VAL 38 3HG1 VAL 38 -2.463 -5.194 -3.090
311 1HG2 VAL 38 1HG2 VAL 38 -1.930 -3.029 -4.082
312 2HG2 VAL 38 2HG2 VAL 38 -0.264 -2.459 -4.172
313 3HG2 VAL 38 3HG2 VAL 38 -1.114 -2.464 -2.624
314 H ASN 39 H ASN 39 1.256 -5.716 -0.433
315 HA ASN 39 HA ASN 39 2.903 -7.753 -1.595
316 1HB ASN 39 2HB ASN 39 3.189 -6.981 0.744
317 2HB ASN 39 1HB ASN 39 1.605 -7.623 1.138
318 1HD2 ASN 39 1HD2 ASN 39 3.830 -9.263 -1.012
319 2HD2 ASN 39 2HD2 ASN 39 4.169 -10.581 0.051
320 H ARG 40 H ARG 40 1.886 -9.031 -3.032
321 HA ARG 40 HA ARG 40 -0.838 -9.813 -2.806
322 1HB ARG 40 2HB ARG 40 0.559 -9.617 -4.919
323 2HB ARG 40 1HB ARG 40 1.294 -11.147 -4.470
324 1HG ARG 40 2HG ARG 40 -0.892 -12.230 -4.578
325 2HG ARG 40 1HG ARG 40 -1.629 -10.688 -5.028
326 1HD ARG 40 2HD ARG 40 -0.094 -10.610 -6.989
327 2HD ARG 40 1HD ARG 40 0.441 -12.235 -6.575
328 HE ARG 40 HE ARG 40 -2.371 -11.629 -7.224
329 1HH1 ARG 40 1HH1 ARG 40 0.494 -13.604 -7.586
330 2HH1 ARG 40 2HH1 ARG 40 -0.237 -14.663 -8.761
331 1HH2 ARG 40 1HH2 ARG 40 -3.338 -13.051 -8.734
332 2HH2 ARG 40 2HH2 ARG 40 -2.401 -14.351 -9.400
333 H GLU 41 H GLU 41 2.132 -11.024 -1.601
334 HA GLU 41 HA GLU 41 1.137 -13.660 -0.951
335 1HB GLU 41 2HB GLU 41 3.703 -12.213 -0.284
336 2HB GLU 41 1HB GLU 41 3.354 -13.860 0.216
337 1HG GLU 41 2HG GLU 41 3.416 -12.953 -2.650
338 2HG GLU 41 1HG GLU 41 4.795 -13.654 -1.803
339 H ALA 42 H ALA 42 0.331 -10.789 0.258
340 HA ALA 42 HA ALA 42 0.851 -11.200 3.057
341 1HB ALA 42 1HB ALA 42 0.766 -8.945 2.123
342 2HB ALA 42 2HB ALA 42 -0.409 -9.161 3.422
343 3HB ALA 42 3HB ALA 42 -0.941 -9.173 1.737
344 H ARG 43 H ARG 43 -0.206 -13.396 2.833
345 HA ARG 43 HA ARG 43 -3.089 -13.393 2.981
346 1HB ARG 43 2HB ARG 43 -1.060 -15.585 3.483
347 2HB ARG 43 1HB ARG 43 -2.805 -15.823 3.408
348 1HG ARG 43 2HG ARG 43 -2.887 -15.291 1.122
349 2HG ARG 43 1HG ARG 43 -1.268 -14.598 1.144
350 1HD ARG 43 2HD ARG 43 -0.404 -16.901 1.664
351 2HD ARG 43 1HD ARG 43 -2.035 -17.502 1.343
352 HE ARG 43 HE ARG 43 -1.789 -16.899 -0.926
353 1HH1 ARG 43 1HH1 ARG 43 1.138 -16.391 0.958
354 2HH1 ARG 43 2HH1 ARG 43 2.143 -16.159 -0.453
355 1HH2 ARG 43 1HH2 ARG 43 -0.466 -16.558 -2.754
356 2HH2 ARG 43 2HH2 ARG 43 1.225 -16.203 -2.546
357 H MET 44 H MET 44 -0.694 -12.490 5.003
358 HA MET 44 HA MET 44 -1.971 -13.305 7.483
359 1HB MET 44 2HB MET 44 0.347 -11.408 7.035
360 2HB MET 44 1HB MET 44 -0.177 -12.054 8.582
361 1HG MET 44 2HG MET 44 0.433 -14.302 7.844
362 2HG MET 44 1HG MET 44 0.962 -13.644 6.297
363 1HE MET 44 1HE MET 44 4.388 -14.532 7.898
364 2HE MET 44 2HE MET 44 3.372 -14.644 6.464
365 3HE MET 44 3HE MET 44 2.887 -15.454 7.953
366 H GLY 45 H GLY 45 -1.923 -10.667 5.256
367 1HA GLY 45 2HA GLY 45 -3.420 -8.896 5.126
368 2HA GLY 45 1HA GLY 45 -4.032 -9.329 6.714
369 H ARG 46 H ARG 46 -1.294 -9.295 7.869
370 HA ARG 46 HA ARG 46 -1.351 -6.614 8.774
371 1HB ARG 46 2HB ARG 46 0.746 -8.751 9.150
372 2HB ARG 46 1HB ARG 46 0.662 -7.245 10.039
373 1HG ARG 46 2HG ARG 46 -1.589 -7.966 10.851
374 2HG ARG 46 1HG ARG 46 -1.259 -9.545 10.139
375 1HD ARG 46 2HD ARG 46 -0.673 -9.594 12.480
376 2HD ARG 46 1HD ARG 46 0.799 -9.678 11.509
377 HE ARG 46 HE ARG 46 -0.054 -7.048 12.471
378 1HH1 ARG 46 1HH1 ARG 46 2.170 -9.763 12.765
379 2HH1 ARG 46 2HH1 ARG 46 3.310 -8.866 13.726
380 1HH2 ARG 46 1HH2 ARG 46 1.440 -5.904 13.733
381 2HH2 ARG 46 2HH2 ARG 46 2.884 -6.689 14.298
382 H THR 47 H THR 47 0.260 -8.124 6.150
383 HA THR 47 HA THR 47 2.203 -5.915 6.018
384 HB THR 47 HB THR 47 3.744 -7.494 4.913
385 HG1 THR 47 HG1 THR 47 2.619 -9.115 4.035
386 1HG2 THR 47 1HG2 THR 47 2.685 -8.453 7.580
387 2HG2 THR 47 2HG2 THR 47 3.912 -7.208 7.330
388 3HG2 THR 47 3HG2 THR 47 4.253 -8.883 6.891
389 H ALA 48 H ALA 48 -0.527 -6.244 4.793
390 HA ALA 48 HA ALA 48 -0.188 -6.975 2.060
391 1HB ALA 48 1HB ALA 48 -2.459 -5.476 3.347
392 2HB ALA 48 2HB ALA 48 -2.318 -7.231 3.230
393 3HB ALA 48 3HB ALA 48 -2.481 -6.258 1.768
394 H LEU 49 H LEU 49 0.041 -3.954 3.780
395 HA LEU 49 HA LEU 49 0.134 -2.541 1.199
396 1HB LEU 49 2HB LEU 49 -1.713 -1.783 2.618
397 2HB LEU 49 1HB LEU 49 -0.585 -1.432 3.914
398 HG LEU 49 HG LEU 49 0.500 0.267 2.448
399 1HD1 LEU 49 1HD1 LEU 49 -0.154 -0.645 0.287
400 2HD1 LEU 49 2HD1 LEU 49 -0.672 1.032 0.455
401 3HD1 LEU 49 3HD1 LEU 49 -1.843 -0.274 0.635
402 1HD2 LEU 49 1HD2 LEU 49 -1.267 1.934 2.673
403 2HD2 LEU 49 2HD2 LEU 49 -1.151 0.920 4.109
404 3HD2 LEU 49 3HD2 LEU 49 -2.447 0.652 2.944
405 H ILE 50 H ILE 50 2.301 -2.888 0.849
406 HA ILE 50 HA ILE 50 4.145 -1.751 2.816
407 HB ILE 50 HB ILE 50 4.740 -3.393 0.348
408 1HG1 ILE 50 2HG1 ILE 50 4.814 -4.168 3.271
409 2HG1 ILE 50 1HG1 ILE 50 3.506 -4.575 2.169
410 1HG2 ILE 50 1HG2 ILE 50 6.524 -2.455 2.593
411 2HG2 ILE 50 2HG2 ILE 50 6.582 -1.925 0.911
412 3HG2 ILE 50 3HG2 ILE 50 6.996 -3.589 1.323
413 1HD1 ILE 50 1HD1 ILE 50 6.359 -5.492 1.955
414 2HD1 ILE 50 2HD1 ILE 50 5.067 -5.879 0.818
415 3HD1 ILE 50 3HD1 ILE 50 4.976 -6.453 2.483
416 H ILE 51 H ILE 51 3.774 0.394 2.483
417 HA ILE 51 HA ILE 51 3.364 1.579 -0.017
418 HB ILE 51 HB ILE 51 3.800 3.759 1.205
419 1HG1 ILE 51 2HG1 ILE 51 3.845 2.006 3.669
420 2HG1 ILE 51 1HG1 ILE 51 5.309 2.660 2.942
421 1HG2 ILE 51 1HG2 ILE 51 1.724 3.582 2.514
422 2HG2 ILE 51 2HG2 ILE 51 1.783 1.828 2.344
423 3HG2 ILE 51 3HG2 ILE 51 1.572 2.845 0.916
424 1HD1 ILE 51 1HD1 ILE 51 4.485 4.922 3.309
425 2HD1 ILE 51 2HD1 ILE 51 4.569 4.010 4.818
426 3HD1 ILE 51 3HD1 ILE 51 3.011 4.272 4.029
427 H HIS 52 H HIS 52 6.056 2.639 2.021
428 HA HIS 52 HA HIS 52 8.160 2.155 0.237
429 1HB HIS 52 2HB HIS 52 6.841 3.687 -1.226
430 2HB HIS 52 1HB HIS 52 6.913 4.918 0.024
431 HD1 HIS 52 HD1 HIS 52 9.315 5.970 0.478
432 HD2 HIS 52 HD2 HIS 52 8.991 3.601 -2.922
433 HE1 HIS 52 HE1 HIS 52 11.333 6.521 -0.915
434 HE2 HIS 52 HE2 HIS 52 11.007 5.211 -3.055
435 HA PRO 53 HA PRO 53 10.291 3.748 3.905
436 1HB PRO 53 2HB PRO 53 12.618 4.437 2.531
437 2HB PRO 53 1HB PRO 53 12.297 2.877 3.288
438 1HG PRO 53 2HG PRO 53 12.055 3.682 0.431
439 2HG PRO 53 1HG PRO 53 12.559 2.132 1.124
440 1HD PRO 53 2HD PRO 53 10.124 2.486 0.045
441 2HD PRO 53 1HD PRO 53 10.387 1.430 1.448
442 H ARG 54 H ARG 54 12.104 5.852 3.827
443 HA ARG 54 HA ARG 54 12.279 8.126 3.774
444 1HB ARG 54 2HB ARG 54 11.899 7.967 1.343
445 2HB ARG 54 1HB ARG 54 10.165 8.012 1.614
446 1HG ARG 54 2HG ARG 54 10.635 10.282 2.759
447 2HG ARG 54 1HG ARG 54 12.177 10.209 1.902
448 1HD ARG 54 2HD ARG 54 10.769 9.736 -0.189
449 2HD ARG 54 1HD ARG 54 9.397 10.286 0.766
450 HE ARG 54 HE ARG 54 11.504 12.189 0.864
451 1HH1 ARG 54 1HH1 ARG 54 8.940 10.995 -1.206
452 2HH1 ARG 54 2HH1 ARG 54 8.832 12.446 -2.148
453 1HH2 ARG 54 1HH2 ARG 54 11.400 14.096 -0.406
454 2HH2 ARG 54 2HH2 ARG 54 10.257 14.195 -1.718
455 H LEU 55 H LEU 55 8.901 7.082 3.450
456 HA LEU 55 HA LEU 55 7.989 9.335 5.053
457 1HB LEU 55 2HB LEU 55 6.663 7.308 3.292
458 2HB LEU 55 1HB LEU 55 5.712 8.243 4.430
459 HG LEU 55 HG LEU 55 7.448 9.451 2.279
460 1HD1 LEU 55 1HD1 LEU 55 5.349 9.924 1.121
461 2HD1 LEU 55 2HD1 LEU 55 4.461 9.034 2.356
462 3HD1 LEU 55 3HD1 LEU 55 5.593 8.188 1.304
463 1HD2 LEU 55 1HD2 LEU 55 7.160 10.933 4.131
464 2HD2 LEU 55 2HD2 LEU 55 5.433 10.576 4.213
465 3HD2 LEU 55 3HD2 LEU 55 6.087 11.465 2.833
466 H LYS 56 H LYS 56 9.330 6.748 6.139
467 HA LYS 56 HA LYS 56 7.481 5.088 7.345
468 1HB LYS 56 2HB LYS 56 9.919 4.642 7.321
469 2HB LYS 56 1HB LYS 56 10.138 5.889 8.545
470 1HG LYS 56 2HG LYS 56 8.645 4.607 10.053
471 2HG LYS 56 1HG LYS 56 8.583 3.326 8.843
472 1HD LYS 56 2HD LYS 56 10.987 2.999 9.037
473 2HD LYS 56 1HD LYS 56 11.087 4.328 10.200
474 1HE LYS 56 2HE LYS 56 9.499 3.056 11.658
475 2HE LYS 56 1HE LYS 56 9.647 1.701 10.539
476 1HZ LYS 56 1HZ LYS 56 11.106 1.521 12.486
477 2HZ LYS 56 2HZ LYS 56 11.913 2.934 12.008
478 3HZ LYS 56 3HZ LYS 56 11.978 1.547 11.035
479 H ASP 57 H ASP 57 9.003 7.962 8.835
480 HA ASP 57 HA ASP 57 7.610 7.709 11.274
481 1HB ASP 57 2HB ASP 57 9.011 10.057 10.007
482 2HB ASP 57 1HB ASP 57 8.281 10.136 11.608
483 H ARG 58 H ARG 58 7.025 9.879 8.511
484 HA ARG 58 HA ARG 58 4.718 11.134 9.433
485 1HB ARG 58 2HB ARG 58 5.771 11.949 7.454
486 2HB ARG 58 1HB ARG 58 5.626 10.396 6.647
487 1HG ARG 58 2HG ARG 58 4.039 11.861 5.674
488 2HG ARG 58 1HG ARG 58 3.149 10.708 6.664
489 1HD ARG 58 2HD ARG 58 2.967 12.375 8.444
490 2HD ARG 58 1HD ARG 58 3.872 13.527 7.460
491 HE ARG 58 HE ARG 58 1.283 12.421 6.584
492 1HH1 ARG 58 1HH1 ARG 58 3.377 15.158 7.227
493 2HH1 ARG 58 2HH1 ARG 58 2.303 16.305 6.478
494 1HH2 ARG 58 1HH2 ARG 58 -0.121 13.935 5.583
495 2HH2 ARG 58 2HH2 ARG 58 0.333 15.620 5.533
496 H SER 59 H SER 59 5.049 8.168 7.543
497 HA SER 59 HA SER 59 2.336 7.517 7.334
498 1HB SER 59 2HB SER 59 3.788 6.404 5.874
499 2HB SER 59 1HB SER 59 4.897 5.953 7.163
500 HG SER 59 HG SER 59 2.271 4.926 6.753
501 H SER 60 H SER 60 4.768 6.527 9.735
502 HA SER 60 HA SER 60 3.184 4.714 11.159
503 1HB SER 60 2HB SER 60 5.705 5.051 11.290
504 2HB SER 60 1HB SER 60 5.376 6.410 12.363
505 HG SER 60 HG SER 60 4.848 5.077 13.923
506 H SER 61 H SER 61 3.425 8.207 11.356
507 HA SER 61 HA SER 61 2.111 8.532 13.843
508 1HB SER 61 2HB SER 61 2.306 10.451 11.507
509 2HB SER 61 1HB SER 61 1.836 10.881 13.152
510 HG SER 61 HG SER 61 4.144 9.542 13.265
511 H LEU 62 H LEU 62 0.964 7.738 10.712
512 HA LEU 62 HA LEU 62 -1.789 8.429 11.441
513 1HB LEU 62 2HB LEU 62 -0.660 7.389 8.839
514 2HB LEU 62 1HB LEU 62 -2.333 7.830 9.116
515 HG LEU 62 HG LEU 62 -0.011 9.752 9.269
516 1HD1 LEU 62 1HD1 LEU 62 -0.346 8.971 6.994
517 2HD1 LEU 62 2HD1 LEU 62 -0.907 10.635 7.159
518 3HD1 LEU 62 3HD1 LEU 62 -2.072 9.312 7.113
519 1HD2 LEU 62 1HD2 LEU 62 -1.879 10.385 10.694
520 2HD2 LEU 62 2HD2 LEU 62 -2.993 10.184 9.344
521 3HD2 LEU 62 3HD2 LEU 62 -1.773 11.457 9.298
522 H ALA 63 H ALA 63 0.230 5.690 10.477
523 HA ALA 63 HA ALA 63 -1.427 3.890 12.019
524 1HB ALA 63 1HB ALA 63 -2.585 3.907 9.860
525 2HB ALA 63 2HB ALA 63 -1.853 2.336 10.193
526 3HB ALA 63 3HB ALA 63 -1.087 3.445 9.053
527 H ASP 64 H ASP 64 -0.229 2.334 12.892
528 HA ASP 64 HA ASP 64 2.600 2.443 12.600
529 1HB ASP 64 2HB ASP 64 2.612 0.647 14.299
530 2HB ASP 64 1HB ASP 64 1.586 1.998 14.771
531 HA PRO 65 HA PRO 65 3.114 -0.822 9.614
532 1HB PRO 65 2HB PRO 65 5.846 -1.163 10.483
533 2HB PRO 65 1HB PRO 65 5.250 -0.375 9.023
534 1HG PRO 65 2HG PRO 65 6.473 0.950 11.089
535 2HG PRO 65 1HG PRO 65 5.329 1.701 9.963
536 1HD PRO 65 2HD PRO 65 4.876 0.707 12.746
537 2HD PRO 65 1HD PRO 65 4.235 2.157 11.943
538 H ALA 66 H ALA 66 3.645 -3.092 9.507
539 HA ALA 66 HA ALA 66 3.035 -4.468 11.986
540 1HB ALA 66 1HB ALA 66 1.921 -5.142 9.918
541 2HB ALA 66 2HB ALA 66 2.869 -6.468 10.595
542 3HB ALA 66 3HB ALA 66 3.482 -5.561 9.211
543 H SER 67 H SER 67 5.790 -3.658 10.159
544 HA SER 67 HA SER 67 7.516 -5.051 11.996
545 1HB SER 67 2HB SER 67 7.019 -6.744 10.210
546 2HB SER 67 1HB SER 67 7.732 -5.651 9.031
547 HG SER 67 HG SER 67 8.963 -7.051 11.156
548 H ASP 68 H ASP 68 9.898 -4.731 10.815
549 HA ASP 68 HA ASP 68 10.227 -1.868 10.744
550 1HB ASP 68 2HB ASP 68 12.196 -4.152 10.497
551 2HB ASP 68 1HB ASP 68 12.653 -2.461 10.489
552 H ILE 69 H ILE 69 11.820 -4.210 8.677
553 HA ILE 69 HA ILE 69 10.625 -3.005 6.295
554 HB ILE 69 HB ILE 69 12.825 -3.086 5.132
555 1HG1 ILE 69 2HG1 ILE 69 13.956 -3.465 7.917
556 2HG1 ILE 69 1HG1 ILE 69 13.943 -4.688 6.650
557 1HG2 ILE 69 1HG2 ILE 69 12.714 -1.266 7.530
558 2HG2 ILE 69 2HG2 ILE 69 11.988 -0.967 5.951
559 3HG2 ILE 69 3HG2 ILE 69 13.743 -1.034 6.117
560 1HD1 ILE 69 1HD1 ILE 69 16.122 -3.635 6.857
561 2HD1 ILE 69 2HD1 ILE 69 15.403 -2.057 6.542
562 3HD1 ILE 69 3HD1 ILE 69 15.402 -3.293 5.285
563 H LYS 70 H LYS 70 10.359 -4.463 4.600
564 HA LYS 70 HA LYS 70 11.003 -7.253 5.286
565 1HB LYS 70 2HB LYS 70 8.557 -6.557 4.978
566 2HB LYS 70 1HB LYS 70 8.936 -6.384 3.267
567 1HG LYS 70 2HG LYS 70 9.597 -8.727 3.168
568 2HG LYS 70 1HG LYS 70 9.235 -8.906 4.885
569 1HD LYS 70 2HD LYS 70 6.878 -8.123 4.293
570 2HD LYS 70 1HD LYS 70 7.335 -8.413 2.612
571 1HE LYS 70 2HE LYS 70 7.305 -10.425 4.860
572 2HE LYS 70 1HE LYS 70 6.208 -10.361 3.482
573 1HZ LYS 70 1HZ LYS 70 9.133 -10.883 3.349
574 2HZ LYS 70 2HZ LYS 70 8.081 -10.816 2.016
575 3HZ LYS 70 3HZ LYS 70 7.905 -12.042 3.173
576 H THR 71 H THR 71 12.681 -8.026 4.239
577 HA THR 71 HA THR 71 13.607 -6.791 1.796
578 HB THR 71 HB THR 71 15.439 -8.528 1.987
579 HG1 THR 71 HG1 THR 71 15.228 -10.038 3.437
580 1HG2 THR 71 1HG2 THR 71 16.544 -7.395 3.864
581 2HG2 THR 71 2HG2 THR 71 15.000 -6.690 4.340
582 3HG2 THR 71 3HG2 THR 71 15.735 -6.245 2.800
583 H CYS 72 H CYS 72 13.401 -7.567 -0.219
584 HA CYS 72 HA CYS 72 12.875 -10.187 -1.006
585 1HB CYS 72 2HB CYS 72 10.752 -9.980 0.208
586 2HB CYS 72 1HB CYS 72 10.365 -8.518 -0.689
587 HG CYS 72 HG CYS 72 10.424 -11.731 -1.852
588 H ASP 73 H ASP 73 13.302 -10.257 -3.070
589 HA ASP 73 HA ASP 73 14.291 -8.196 -4.553
590 1HB ASP 73 2HB ASP 73 14.762 -10.452 -5.137
591 2HB ASP 73 1HB ASP 73 13.065 -10.812 -5.415
592 H HIS 74 H HIS 74 10.955 -8.647 -3.982
593 HA HIS 74 HA HIS 74 10.172 -7.531 -6.558
594 1HB HIS 74 2HB HIS 74 8.545 -8.669 -4.286
595 2HB HIS 74 1HB HIS 74 7.840 -7.979 -5.742
596 HD1 HIS 74 HD1 HIS 74 7.083 -9.802 -7.229
597 HD2 HIS 74 HD2 HIS 74 10.638 -10.768 -5.291
598 HE1 HIS 74 HE1 HIS 74 7.721 -12.087 -8.065
599 HE2 HIS 74 HE2 HIS 74 9.963 -12.560 -7.030
600 H TYR 75 H TYR 75 11.227 -6.101 -3.802
601 HA TYR 75 HA TYR 75 9.384 -3.812 -4.191
602 1HB TYR 75 2HB TYR 75 10.728 -4.441 -1.563
603 2HB TYR 75 1HB TYR 75 9.466 -3.256 -1.873
604 HD1 TYR 75 HD1 TYR 75 7.214 -4.301 -2.818
605 HD2 TYR 75 HD2 TYR 75 10.149 -6.422 -0.594
606 HE1 TYR 75 HE1 TYR 75 5.516 -5.952 -2.166
607 HE2 TYR 75 HE2 TYR 75 8.464 -8.080 0.067
608 HH TYR 75 HH TYR 75 6.000 -8.208 0.295
609 H GLN 76 H GLN 76 11.080 -3.049 -5.761
610 HA GLN 76 HA GLN 76 13.694 -2.466 -4.811
611 1HB GLN 76 2HB GLN 76 13.760 -0.973 -6.879
612 2HB GLN 76 1HB GLN 76 13.572 -2.699 -7.123
613 1HG GLN 76 2HG GLN 76 11.183 -2.412 -7.460
614 2HG GLN 76 1HG GLN 76 11.332 -0.684 -7.155
615 1HE2 GLN 76 1HE2 GLN 76 10.439 -0.223 -9.174
616 2HE2 GLN 76 2HE2 GLN 76 11.353 -0.407 -10.633
617 H ASN 77 H ASN 77 10.807 -0.486 -5.320
618 HA ASN 77 HA ASN 77 10.155 1.518 -4.534
619 1HB ASN 77 2HB ASN 77 12.267 0.907 -2.473
620 2HB ASN 77 1HB ASN 77 11.350 2.410 -2.446
621 1HD2 ASN 77 1HD2 ASN 77 11.195 -1.051 -2.058
622 2HD2 ASN 77 2HD2 ASN 77 9.645 -1.085 -1.296
623 H PHE 78 H PHE 78 13.561 1.944 -3.710
624 HA PHE 78 HA PHE 78 14.195 3.443 -6.042
625 1HB PHE 78 2HB PHE 78 13.307 4.910 -3.619
626 2HB PHE 78 1HB PHE 78 14.742 5.525 -4.428
627 HD1 PHE 78 HD1 PHE 78 14.453 5.637 -7.093
628 HD2 PHE 78 HD2 PHE 78 11.299 5.827 -4.241
629 HE1 PHE 78 HE1 PHE 78 13.047 6.813 -8.734
630 HE2 PHE 78 HE2 PHE 78 9.886 7.001 -5.877
631 HZ PHE 78 HZ PHE 78 10.760 7.496 -8.127
632 HA PRO 79 HA PRO 79 17.948 3.696 -3.198
633 1HB PRO 79 2HB PRO 79 17.426 2.794 -0.523
634 2HB PRO 79 1HB PRO 79 17.792 4.428 -1.077
635 1HG PRO 79 2HG PRO 79 15.364 3.661 -0.050
636 2HG PRO 79 1HG PRO 79 15.590 5.026 -1.155
637 1HD PRO 79 2HD PRO 79 14.667 2.238 -1.750
638 2HD PRO 79 1HD PRO 79 14.060 3.786 -2.383
639 H LEU 80 H LEU 80 16.030 0.890 -2.221
640 HA LEU 80 HA LEU 80 16.524 -1.311 -1.886
641 1HB LEU 80 2HB LEU 80 18.984 -0.626 -3.477
642 2HB LEU 80 1HB LEU 80 18.620 -2.235 -2.923
643 HG LEU 80 HG LEU 80 16.930 -0.639 -4.836
644 1HD1 LEU 80 1HD1 LEU 80 17.720 -2.200 -6.512
645 2HD1 LEU 80 2HD1 LEU 80 18.744 -2.995 -5.315
646 3HD1 LEU 80 3HD1 LEU 80 19.078 -1.329 -5.797
647 1HD2 LEU 80 1HD2 LEU 80 16.766 -3.457 -3.830
648 2HD2 LEU 80 2HD2 LEU 80 15.767 -2.768 -5.116
649 3HD2 LEU 80 3HD2 LEU 80 15.637 -2.146 -3.469
650 H TYR 81 H TYR 81 17.742 -2.673 -0.484
651 HA TYR 81 HA TYR 81 18.802 -1.311 1.761
652 1HB TYR 81 2HB TYR 81 17.665 -3.545 1.830
653 2HB TYR 81 1HB TYR 81 19.084 -4.245 1.062
654 HD1 TYR 81 HD1 TYR 81 21.073 -4.699 2.322
655 HD2 TYR 81 HD2 TYR 81 17.797 -2.675 4.130
656 HE1 TYR 81 HE1 TYR 81 22.091 -5.044 4.532
657 HE2 TYR 81 HE2 TYR 81 18.805 -3.010 6.347
658 HH TYR 81 HH TYR 81 22.024 -3.985 6.770
659 H LEU 82 H LEU 82 20.644 -0.202 1.557
660 HA LEU 82 HA LEU 82 22.704 -1.070 -0.255
661 1HB LEU 82 2HB LEU 82 21.899 1.370 0.428
662 2HB LEU 82 1HB LEU 82 23.130 1.176 1.658
663 HG LEU 82 HG LEU 82 23.952 2.384 -0.324
664 1HD1 LEU 82 1HD1 LEU 82 25.224 -0.318 0.083
665 2HD1 LEU 82 2HD1 LEU 82 25.555 1.149 1.005
666 3HD1 LEU 82 3HD1 LEU 82 25.985 1.065 -0.704
667 1HD2 LEU 82 1HD2 LEU 82 22.573 1.322 -2.015
668 2HD2 LEU 82 2HD2 LEU 82 23.415 -0.208 -1.769
669 3HD2 LEU 82 3HD2 LEU 82 24.280 1.179 -2.432
670 H GLY 83 H GLY 83 23.203 -3.064 0.752
671 1HA GLY 83 2HA GLY 83 24.910 -2.767 3.138
672 2HA GLY 83 1HA GLY 83 24.154 -4.273 2.624
673 H GLY 84 H GLY 84 26.898 -4.060 3.154
674 1HA GLY 84 2HA GLY 84 28.401 -3.625 0.770
675 2HA GLY 84 1HA GLY 84 28.964 -4.448 2.218
676 H GLU 85 H GLU 85 26.715 -6.349 2.117
677 HA GLU 85 HA GLU 85 27.827 -8.169 0.142
678 1HB GLU 85 2HB GLU 85 25.715 -8.716 2.224
679 2HB GLU 85 1HB GLU 85 26.682 -9.878 1.348
680 1HG GLU 85 2HG GLU 85 27.627 -7.977 3.453
681 2HG GLU 85 1HG GLU 85 27.462 -9.726 3.590
682 H THR 86 H THR 86 24.622 -7.195 1.319
683 HA THR 86 HA THR 86 23.506 -8.135 -1.232
684 HB THR 86 HB THR 86 21.487 -8.030 0.761
685 HG1 THR 86 HG1 THR 86 23.280 -8.143 2.269
686 1HG2 THR 86 1HG2 THR 86 21.385 -10.438 0.363
687 2HG2 THR 86 2HG2 THR 86 22.954 -10.375 -0.440
688 3HG2 THR 86 3HG2 THR 86 21.563 -9.555 -1.155
689 H HIS 87 H HIS 87 22.653 -6.641 -2.478
690 HA HIS 87 HA HIS 87 21.481 -4.228 -1.267
691 1HB HIS 87 2HB HIS 87 21.986 -4.847 -4.191
692 2HB HIS 87 1HB HIS 87 21.334 -3.345 -3.562
693 HD1 HIS 87 HD1 HIS 87 23.106 -1.673 -4.019
694 HD2 HIS 87 HD2 HIS 87 24.641 -5.171 -2.372
695 HE1 HIS 87 HE1 HIS 87 25.558 -1.232 -3.640
696 HE2 HIS 87 HE2 HIS 87 26.493 -3.432 -2.838
697 H GLU 88 H GLU 88 19.614 -5.060 -0.443
698 HA GLU 88 HA GLU 88 18.058 -6.845 -2.167
699 1HB GLU 88 2HB GLU 88 18.759 -7.689 0.070
700 2HB GLU 88 1HB GLU 88 17.795 -6.417 0.808
701 1HG GLU 88 2HG GLU 88 16.694 -8.633 0.747
702 2HG GLU 88 1HG GLU 88 15.775 -7.353 -0.043
703 H HIS 89 H HIS 89 15.965 -6.547 -2.536
704 HA HIS 89 HA HIS 89 15.089 -3.810 -2.599
705 1HB HIS 89 2HB HIS 89 13.783 -6.441 -3.390
706 2HB HIS 89 1HB HIS 89 13.029 -4.871 -3.636
707 HD1 HIS 89 HD1 HIS 89 16.617 -5.925 -4.425
708 HD2 HIS 89 HD2 HIS 89 13.188 -4.538 -6.313
709 HE1 HIS 89 HE1 HIS 89 17.316 -5.331 -6.756
710 HE2 HIS 89 HE2 HIS 89 15.266 -4.390 -7.843
711 H TYR 90 H TYR 90 13.965 -2.851 -0.931
712 HA TYR 90 HA TYR 90 12.629 -4.633 0.984
713 1HB TYR 90 2HB TYR 90 13.676 -3.694 2.865
714 2HB TYR 90 1HB TYR 90 14.989 -3.908 1.713
715 HD1 TYR 90 HD1 TYR 90 13.345 -1.633 3.873
716 HD2 TYR 90 HD2 TYR 90 15.614 -1.818 0.280
717 HE1 TYR 90 HE1 TYR 90 13.901 0.748 4.113
718 HE2 TYR 90 HE2 TYR 90 16.181 0.566 0.511
719 HH TYR 90 HH TYR 90 15.726 2.298 3.345
720 H GLY 91 H GLY 91 10.798 -3.873 1.908
721 1HA GLY 91 2HA GLY 91 10.166 -1.011 1.605
722 2HA GLY 91 1HA GLY 91 8.982 -2.216 1.103
723 H ILE 92 H ILE 92 8.213 -0.430 3.004
724 HA ILE 92 HA ILE 92 8.584 -1.743 5.601
725 HB ILE 92 HB ILE 92 7.289 0.930 5.049
726 1HG1 ILE 92 2HG1 ILE 92 10.104 0.331 5.997
727 2HG1 ILE 92 1HG1 ILE 92 9.685 0.876 4.376
728 1HG2 ILE 92 1HG2 ILE 92 7.612 1.301 7.446
729 2HG2 ILE 92 2HG2 ILE 92 8.305 -0.311 7.606
730 3HG2 ILE 92 3HG2 ILE 92 6.612 -0.122 7.153
731 1HD1 ILE 92 1HD1 ILE 92 8.853 2.968 5.286
732 2HD1 ILE 92 2HD1 ILE 92 10.529 2.691 5.762
733 3HD1 ILE 92 3HD1 ILE 92 9.226 2.417 6.918
734 HA PRO 93 HA PRO 93 4.599 -3.588 4.724
735 1HB PRO 93 2HB PRO 93 4.927 -4.952 7.286
736 2HB PRO 93 1HB PRO 93 4.904 -5.629 5.656
737 1HG PRO 93 2HG PRO 93 7.144 -5.540 7.166
738 2HG PRO 93 1HG PRO 93 7.175 -5.423 5.397
739 1HD PRO 93 2HD PRO 93 7.380 -3.245 7.443
740 2HD PRO 93 1HD PRO 93 8.297 -3.467 5.937
741 H HIS 94 H HIS 94 2.703 -2.658 5.083
742 HA HIS 94 HA HIS 94 1.959 -1.933 7.846
743 1HB HIS 94 2HB HIS 94 1.168 -0.489 5.300
744 2HB HIS 94 1HB HIS 94 0.508 -0.148 6.892
745 HD1 HIS 94 HD1 HIS 94 3.965 -0.231 5.288
746 HD2 HIS 94 HD2 HIS 94 1.752 1.927 8.064
747 HE1 HIS 94 HE1 HIS 94 5.442 1.668 5.991
748 HE2 HIS 94 HE2 HIS 94 3.971 3.100 7.459
749 H GLY 95 H GLY 95 -0.589 -1.709 7.880
750 1HA GLY 95 2HA GLY 95 -2.113 -3.316 6.131
751 2HA GLY 95 1HA GLY 95 -1.607 -4.276 7.516
752 H PHE 96 H PHE 96 -4.268 -3.835 7.031
753 HA PHE 96 HA PHE 96 -5.074 -2.095 9.230
754 1HB PHE 96 2HB PHE 96 -6.050 -1.784 6.383
755 2HB PHE 96 1HB PHE 96 -6.882 -1.099 7.772
756 HD1 PHE 96 HD1 PHE 96 -4.088 -0.789 5.489
757 HD2 PHE 96 HD2 PHE 96 -5.839 0.707 9.066
758 HE1 PHE 96 HE1 PHE 96 -2.683 1.222 5.333
759 HE2 PHE 96 HE2 PHE 96 -4.436 2.719 8.916
760 HZ PHE 96 HZ PHE 96 -2.856 2.976 7.049
761 H SER 97 H SER 97 -7.740 -2.163 8.951
762 HA SER 97 HA SER 97 -8.640 -4.861 8.361
763 1HB SER 97 2HB SER 97 -9.648 -5.023 10.698
764 2HB SER 97 1HB SER 97 -7.893 -5.198 10.613
765 HG SER 97 HG SER 97 -8.750 -3.739 12.287
766 H SER 98 H SER 98 -9.054 -1.852 7.776
767 HA SER 98 HA SER 98 -11.930 -2.032 7.509
768 1HB SER 98 2HB SER 98 -10.621 0.294 8.946
769 2HB SER 98 1HB SER 98 -12.323 0.196 8.493
770 HG SER 98 HG SER 98 -11.657 -2.011 9.848
771 H ARG 99 H ARG 99 -12.465 -1.357 5.533
772 HA ARG 99 HA ARG 99 -10.524 -0.520 3.687
773 1HB ARG 99 2HB ARG 99 -13.533 -0.517 3.565
774 2HB ARG 99 1HB ARG 99 -12.530 -0.009 2.212
775 1HG ARG 99 2HG ARG 99 -11.413 -2.269 2.361
776 2HG ARG 99 1HG ARG 99 -12.705 -2.726 3.474
777 1HD ARG 99 2HD ARG 99 -13.228 -1.598 0.743
778 2HD ARG 99 1HD ARG 99 -13.046 -3.325 1.038
779 HE ARG 99 HE ARG 99 -15.084 -1.822 2.520
780 1HH1 ARG 99 1HH1 ARG 99 -14.216 -4.246 0.139
781 2HH1 ARG 99 2HH1 ARG 99 -15.832 -4.893 0.038
782 1HH2 ARG 99 1HH2 ARG 99 -17.219 -2.690 2.379
783 2HH2 ARG 99 2HH2 ARG 99 -17.524 -4.024 1.305
784 H ILE 100 H ILE 100 -13.165 1.319 5.207
785 HA ILE 100 HA ILE 100 -12.602 3.751 3.943
786 HB ILE 100 HB ILE 100 -14.701 3.384 5.131
787 1HG1 ILE 100 2HG1 ILE 100 -13.120 5.710 6.246
788 2HG1 ILE 100 1HG1 ILE 100 -13.873 5.667 4.658
789 1HG2 ILE 100 1HG2 ILE 100 -14.805 3.554 7.580
790 2HG2 ILE 100 2HG2 ILE 100 -13.041 3.580 7.644
791 3HG2 ILE 100 3HG2 ILE 100 -13.881 2.145 7.053
792 1HD1 ILE 100 1HD1 ILE 100 -15.295 5.543 7.298
793 2HD1 ILE 100 2HD1 ILE 100 -16.061 5.480 5.712
794 3HD1 ILE 100 3HD1 ILE 100 -15.201 6.932 6.219
795 H ALA 101 H ALA 101 -11.095 2.279 6.748
796 HA ALA 101 HA ALA 101 -9.766 4.611 7.653
797 1HB ALA 101 1HB ALA 101 -9.952 2.614 9.062
798 2HB ALA 101 2HB ALA 101 -8.268 3.097 8.855
799 3HB ALA 101 3HB ALA 101 -8.911 1.728 7.948
800 H LEU 102 H LEU 102 -8.923 2.057 5.372
801 HA LEU 102 HA LEU 102 -6.374 3.027 4.660
802 1HB LEU 102 2HB LEU 102 -7.170 0.780 4.094
803 2HB LEU 102 1HB LEU 102 -8.376 1.467 3.025
804 HG LEU 102 HG LEU 102 -6.592 2.337 1.569
805 1HD1 LEU 102 1HD1 LEU 102 -4.838 2.635 3.222
806 2HD1 LEU 102 2HD1 LEU 102 -4.278 1.592 1.912
807 3HD1 LEU 102 3HD1 LEU 102 -4.745 0.890 3.463
808 1HD2 LEU 102 1HD2 LEU 102 -7.551 0.176 1.065
809 2HD2 LEU 102 2HD2 LEU 102 -6.429 -0.611 2.177
810 3HD2 LEU 102 3HD2 LEU 102 -5.822 0.159 0.709
811 H GLU 103 H GLU 103 -9.618 3.734 3.499
812 HA GLU 103 HA GLU 103 -9.045 5.391 1.330
813 1HB GLU 103 2HB GLU 103 -11.328 4.520 2.349
814 2HB GLU 103 1HB GLU 103 -11.282 6.042 3.219
815 1HG GLU 103 2HG GLU 103 -11.134 5.832 0.226
816 2HG GLU 103 1HG GLU 103 -12.630 6.059 1.125
817 H ARG 104 H ARG 104 -9.784 6.369 4.683
818 HA ARG 104 HA ARG 104 -9.076 9.074 4.329
819 1HB ARG 104 2HB ARG 104 -9.098 7.497 6.909
820 2HB ARG 104 1HB ARG 104 -9.160 9.247 6.759
821 1HG ARG 104 2HG ARG 104 -11.313 8.867 5.435
822 2HG ARG 104 1HG ARG 104 -11.268 7.232 6.084
823 1HD ARG 104 2HD ARG 104 -11.324 8.064 8.336
824 2HD ARG 104 1HD ARG 104 -11.178 9.727 7.768
825 HE ARG 104 HE ARG 104 -13.559 8.028 7.603
826 1HH1 ARG 104 1HH1 ARG 104 -12.018 11.125 7.036
827 2HH1 ARG 104 2HH1 ARG 104 -13.524 11.967 6.801
828 1HH2 ARG 104 1HH2 ARG 104 -15.533 9.140 7.306
829 2HH2 ARG 104 2HH2 ARG 104 -15.511 10.836 6.946
830 H TYR 105 H TYR 105 -7.208 6.253 5.119
831 HA TYR 105 HA TYR 105 -4.921 7.472 6.194
832 1HB TYR 105 2HB TYR 105 -5.426 5.022 6.239
833 2HB TYR 105 1HB TYR 105 -5.024 4.948 4.526
834 HD1 TYR 105 HD1 TYR 105 -3.591 6.012 7.786
835 HD2 TYR 105 HD2 TYR 105 -2.842 4.457 3.901
836 HE1 TYR 105 HE1 TYR 105 -1.230 5.690 8.378
837 HE2 TYR 105 HE2 TYR 105 -0.473 4.126 4.485
838 HH TYR 105 HH TYR 105 0.660 4.471 7.745
839 H LEU 106 H LEU 106 -5.619 6.442 2.857
840 HA LEU 106 HA LEU 106 -3.247 7.392 1.704
841 1HB LEU 106 2HB LEU 106 -5.981 7.142 0.445
842 2HB LEU 106 1HB LEU 106 -4.471 7.317 -0.430
843 HG LEU 106 HG LEU 106 -5.188 4.975 1.338
844 1HD1 LEU 106 1HD1 LEU 106 -6.546 5.036 -0.681
845 2HD1 LEU 106 2HD1 LEU 106 -5.368 3.725 -0.751
846 3HD1 LEU 106 3HD1 LEU 106 -5.092 5.207 -1.665
847 1HD2 LEU 106 1HD2 LEU 106 -3.191 3.936 0.415
848 2HD2 LEU 106 2HD2 LEU 106 -2.777 5.433 1.248
849 3HD2 LEU 106 3HD2 LEU 106 -2.841 5.393 -0.513
850 H ASN 107 H ASN 107 -6.289 8.974 2.407
851 HA ASN 107 HA ASN 107 -5.806 11.378 1.006
852 1HB ASN 107 2HB ASN 107 -7.673 10.541 3.192
853 2HB ASN 107 1HB ASN 107 -7.532 12.244 2.786
854 1HD2 ASN 107 1HD2 ASN 107 -8.538 9.109 1.693
855 2HD2 ASN 107 2HD2 ASN 107 -9.473 9.654 0.343
856 H GLY 108 H GLY 108 -5.006 10.318 4.271
857 1HA GLY 108 2HA GLY 108 -4.068 12.949 5.036
858 2HA GLY 108 1HA GLY 108 -3.968 11.482 6.000
859 H LEU 109 H LEU 109 -2.654 9.925 3.955
860 HA LEU 109 HA LEU 109 0.038 10.771 4.526
861 1HB LEU 109 2HB LEU 109 -0.712 8.398 4.623
862 2HB LEU 109 1HB LEU 109 -0.907 8.424 2.881
863 HG LEU 109 HG LEU 109 1.494 8.782 2.593
864 1HD1 LEU 109 1HD1 LEU 109 1.946 10.065 4.608
865 2HD1 LEU 109 2HD1 LEU 109 3.003 8.656 4.526
866 3HD1 LEU 109 3HD1 LEU 109 1.609 8.650 5.604
867 1HD2 LEU 109 1HD2 LEU 109 0.651 6.495 2.698
868 2HD2 LEU 109 2HD2 LEU 109 0.847 6.492 4.451
869 3HD2 LEU 109 3HD2 LEU 109 2.264 6.602 3.405
870 H PHE 110 H PHE 110 -1.754 10.086 1.506
871 HA PHE 110 HA PHE 110 0.394 11.441 0.032
872 1HB PHE 110 2HB PHE 110 -1.802 9.624 -0.979
873 2HB PHE 110 1HB PHE 110 -0.538 10.341 -1.971
874 HD1 PHE 110 HD1 PHE 110 1.917 9.841 -1.139
875 HD2 PHE 110 HD2 PHE 110 -1.501 7.483 -0.201
876 HE1 PHE 110 HE1 PHE 110 3.377 7.913 -0.681
877 HE2 PHE 110 HE2 PHE 110 -0.044 5.554 0.258
878 HZ PHE 110 HZ PHE 110 2.395 5.768 0.019
879 H GLY 111 H GLY 111 -2.443 12.283 1.379
880 1HA GLY 111 2HA GLY 111 -3.528 13.793 -0.855
881 2HA GLY 111 1HA GLY 111 -4.184 13.725 0.774
882 H ASP 112 H ASP 112 -1.074 14.268 1.325
883 HA ASP 112 HA ASP 112 -1.434 17.102 1.749
884 1HB ASP 112 2HB ASP 112 -0.197 15.246 3.197
885 2HB ASP 112 1HB ASP 112 1.151 15.729 2.181
Start of MODEL 7
1 1H MET 1 1HT MET 1 -11.279 -7.325 11.594
2 2H MET 1 2HT MET 1 -9.851 -7.899 12.311
3 3H MET 1 3HT MET 1 -11.208 -8.910 12.204
4 HA MET 1 HA MET 1 -9.588 -9.528 10.551
5 1HB MET 1 2HB MET 1 -12.042 -8.145 9.437
6 2HB MET 1 1HB MET 1 -11.016 -9.221 8.504
7 1HG MET 1 2HG MET 1 -12.511 -10.004 10.991
8 2HG MET 1 1HG MET 1 -13.070 -10.288 9.343
9 1HE MET 1 1HE MET 1 -11.836 -11.876 7.615
10 2HE MET 1 2HE MET 1 -10.346 -12.751 7.979
11 3HE MET 1 3HE MET 1 -10.332 -10.991 7.865
12 H TYR 2 H TYR 2 -8.198 -8.985 8.889
13 HA TYR 2 HA TYR 2 -7.531 -6.147 8.712
14 1HB TYR 2 2HB TYR 2 -6.092 -8.679 8.051
15 2HB TYR 2 1HB TYR 2 -5.539 -7.157 7.377
16 HD1 TYR 2 HD1 TYR 2 -3.897 -6.033 8.519
17 HD2 TYR 2 HD2 TYR 2 -6.487 -8.609 10.698
18 HE1 TYR 2 HE1 TYR 2 -2.605 -5.591 10.559
19 HE2 TYR 2 HE2 TYR 2 -5.206 -8.174 12.746
20 HH TYR 2 HH TYR 2 -2.895 -7.452 13.352
21 H LEU 3 H LEU 3 -6.362 -5.902 6.323
22 HA LEU 3 HA LEU 3 -8.526 -6.443 4.407
23 1HB LEU 3 2HB LEU 3 -6.469 -4.227 4.368
24 2HB LEU 3 1HB LEU 3 -7.726 -4.476 3.169
25 HG LEU 3 HG LEU 3 -8.163 -3.749 6.069
26 1HD1 LEU 3 1HD1 LEU 3 -8.530 -2.153 3.539
27 2HD1 LEU 3 2HD1 LEU 3 -7.274 -1.908 4.754
28 3HD1 LEU 3 3HD1 LEU 3 -8.967 -1.625 5.164
29 1HD2 LEU 3 1HD2 LEU 3 -10.521 -3.497 5.424
30 2HD2 LEU 3 2HD2 LEU 3 -9.962 -5.161 5.255
31 3HD2 LEU 3 3HD2 LEU 3 -10.143 -4.142 3.827
32 H ARG 4 H ARG 4 -8.060 -7.883 2.908
33 HA ARG 4 HA ARG 4 -5.487 -9.009 2.562
34 1HB ARG 4 2HB ARG 4 -8.103 -9.266 1.102
35 2HB ARG 4 1HB ARG 4 -6.655 -10.056 0.498
36 1HG ARG 4 2HG ARG 4 -6.461 -11.367 2.487
37 2HG ARG 4 1HG ARG 4 -7.767 -10.470 3.264
38 1HD ARG 4 2HD ARG 4 -8.177 -11.984 0.699
39 2HD ARG 4 1HD ARG 4 -8.330 -12.761 2.274
40 HE ARG 4 HE ARG 4 -10.209 -11.408 2.742
41 1HH1 ARG 4 1HH1 ARG 4 -8.962 -10.948 -0.503
42 2HH1 ARG 4 2HH1 ARG 4 -10.409 -10.194 -1.086
43 1HH2 ARG 4 1HH2 ARG 4 -12.118 -10.416 1.969
44 2HH2 ARG 4 2HH2 ARG 4 -12.196 -9.882 0.315
45 HA PRO 5 HA PRO 5 -3.337 -6.661 -0.443
46 1HB PRO 5 2HB PRO 5 -3.055 -8.482 -2.551
47 2HB PRO 5 1HB PRO 5 -1.963 -8.321 -1.171
48 1HG PRO 5 2HG PRO 5 -4.200 -10.249 -1.608
49 2HG PRO 5 1HG PRO 5 -2.618 -10.513 -0.848
50 1HD PRO 5 2HD PRO 5 -4.804 -10.266 0.641
51 2HD PRO 5 1HD PRO 5 -3.276 -9.519 1.153
52 H ASP 6 H ASP 6 -5.799 -8.679 -2.047
53 HA ASP 6 HA ASP 6 -6.232 -7.004 -4.255
54 1HB ASP 6 2HB ASP 6 -8.362 -8.240 -4.528
55 2HB ASP 6 1HB ASP 6 -6.994 -9.313 -4.251
56 H GLU 7 H GLU 7 -7.639 -7.027 -1.035
57 HA GLU 7 HA GLU 7 -9.752 -5.216 -1.532
58 1HB GLU 7 2HB GLU 7 -9.495 -6.763 0.459
59 2HB GLU 7 1HB GLU 7 -8.306 -5.633 1.092
60 1HG GLU 7 2HG GLU 7 -10.464 -5.276 2.118
61 2HG GLU 7 1HG GLU 7 -10.000 -3.880 1.147
62 H VAL 8 H VAL 8 -6.466 -4.808 -0.304
63 HA VAL 8 HA VAL 8 -6.498 -2.035 0.082
64 HB VAL 8 HB VAL 8 -4.162 -3.772 -0.756
65 1HG1 VAL 8 1HG1 VAL 8 -3.718 -1.389 -1.084
66 2HG1 VAL 8 2HG1 VAL 8 -2.758 -2.044 0.239
67 3HG1 VAL 8 3HG1 VAL 8 -4.186 -1.069 0.585
68 1HG2 VAL 8 1HG2 VAL 8 -5.212 -4.597 1.274
69 2HG2 VAL 8 2HG2 VAL 8 -5.147 -2.986 1.985
70 3HG2 VAL 8 3HG2 VAL 8 -3.653 -3.863 1.649
71 H ALA 9 H ALA 9 -5.734 -3.988 -2.763
72 HA ALA 9 HA ALA 9 -4.948 -1.926 -4.483
73 1HB ALA 9 1HB ALA 9 -4.592 -4.287 -4.986
74 2HB ALA 9 2HB ALA 9 -5.448 -3.478 -6.300
75 3HB ALA 9 3HB ALA 9 -6.330 -4.514 -5.177
76 H ARG 10 H ARG 10 -8.163 -3.227 -3.741
77 HA ARG 10 HA ARG 10 -9.661 -1.870 -5.663
78 1HB ARG 10 2HB ARG 10 -10.479 -2.490 -2.817
79 2HB ARG 10 1HB ARG 10 -11.572 -2.101 -4.135
80 1HG ARG 10 2HG ARG 10 -10.924 -4.137 -5.297
81 2HG ARG 10 1HG ARG 10 -9.787 -4.521 -4.002
82 1HD ARG 10 2HD ARG 10 -11.781 -5.787 -3.634
83 2HD ARG 10 1HD ARG 10 -11.704 -4.522 -2.409
84 HE ARG 10 HE ARG 10 -13.249 -3.885 -4.787
85 1HH1 ARG 10 1HH1 ARG 10 -13.258 -4.948 -1.444
86 2HH1 ARG 10 2HH1 ARG 10 -14.984 -4.799 -1.266
87 1HH2 ARG 10 1HH2 ARG 10 -15.520 -3.641 -4.536
88 2HH2 ARG 10 2HH2 ARG 10 -16.259 -4.022 -3.012
89 H VAL 11 H VAL 11 -8.709 -0.851 -2.402
90 HA VAL 11 HA VAL 11 -9.987 1.675 -2.513
91 HB VAL 11 HB VAL 11 -7.599 0.878 -0.831
92 1HG1 VAL 11 1HG1 VAL 11 -7.925 3.282 -0.884
93 2HG1 VAL 11 2HG1 VAL 11 -8.391 2.641 0.692
94 3HG1 VAL 11 3HG1 VAL 11 -9.631 3.079 -0.484
95 1HG2 VAL 11 1HG2 VAL 11 -10.552 0.680 -0.241
96 2HG2 VAL 11 2HG2 VAL 11 -9.256 0.372 0.914
97 3HG2 VAL 11 3HG2 VAL 11 -9.446 -0.669 -0.499
98 H LEU 12 H LEU 12 -6.718 0.597 -3.324
99 HA LEU 12 HA LEU 12 -5.615 3.105 -3.923
100 1HB LEU 12 2HB LEU 12 -4.996 0.391 -5.082
101 2HB LEU 12 1HB LEU 12 -4.016 1.822 -5.337
102 HG LEU 12 HG LEU 12 -4.544 0.530 -2.659
103 1HD1 LEU 12 1HD1 LEU 12 -3.110 -0.823 -4.107
104 2HD1 LEU 12 2HD1 LEU 12 -2.216 -0.144 -2.745
105 3HD1 LEU 12 3HD1 LEU 12 -2.052 0.569 -4.350
106 1HD2 LEU 12 1HD2 LEU 12 -4.226 2.933 -2.461
107 2HD2 LEU 12 2HD2 LEU 12 -2.757 2.832 -3.433
108 3HD2 LEU 12 3HD2 LEU 12 -2.817 2.070 -1.843
109 H GLU 13 H GLU 13 -7.474 0.859 -5.948
110 HA GLU 13 HA GLU 13 -7.312 2.196 -8.380
111 1HB GLU 13 2HB GLU 13 -9.607 0.639 -7.178
112 2HB GLU 13 1HB GLU 13 -9.511 1.124 -8.858
113 1HG GLU 13 2HG GLU 13 -7.501 -0.644 -7.499
114 2HG GLU 13 1HG GLU 13 -8.874 -1.232 -8.436
115 H LYS 14 H LYS 14 -9.512 2.664 -5.658
116 HA LYS 14 HA LYS 14 -11.162 4.677 -6.680
117 1HB LYS 14 2HB LYS 14 -11.434 3.461 -4.504
118 2HB LYS 14 1HB LYS 14 -10.138 4.429 -3.847
119 1HG LYS 14 2HG LYS 14 -11.462 6.462 -4.267
120 2HG LYS 14 1HG LYS 14 -12.791 5.450 -4.840
121 1HD LYS 14 2HD LYS 14 -12.969 4.398 -2.663
122 2HD LYS 14 1HD LYS 14 -11.566 5.299 -2.085
123 1HE LYS 14 2HE LYS 14 -14.113 6.583 -3.057
124 2HE LYS 14 1HE LYS 14 -13.780 6.218 -1.366
125 1HZ LYS 14 1HZ LYS 14 -11.947 7.718 -1.371
126 2HZ LYS 14 2HZ LYS 14 -13.279 8.539 -2.031
127 3HZ LYS 14 3HZ LYS 14 -12.053 7.955 -3.047
128 H ALA 15 H ALA 15 -8.117 4.841 -4.966
129 HA ALA 15 HA ALA 15 -7.922 7.672 -4.875
130 1HB ALA 15 1HB ALA 15 -5.649 7.308 -4.098
131 2HB ALA 15 2HB ALA 15 -5.744 5.614 -4.576
132 3HB ALA 15 3HB ALA 15 -6.775 6.225 -3.282
133 H GLY 16 H GLY 16 -7.671 5.670 -7.511
134 1HA GLY 16 2HA GLY 16 -7.281 6.387 -9.698
135 2HA GLY 16 1HA GLY 16 -6.518 7.833 -9.063
136 H PHE 17 H PHE 17 -5.679 4.549 -8.160
137 HA PHE 17 HA PHE 17 -2.940 5.053 -8.979
138 1HB PHE 17 2HB PHE 17 -4.314 3.078 -7.236
139 2HB PHE 17 1HB PHE 17 -2.782 2.618 -7.960
140 HD1 PHE 17 HD1 PHE 17 -0.726 3.546 -7.193
141 HD2 PHE 17 HD2 PHE 17 -4.437 4.987 -5.689
142 HE1 PHE 17 HE1 PHE 17 0.467 4.741 -5.404
143 HE2 PHE 17 HE2 PHE 17 -3.249 6.184 -3.899
144 HZ PHE 17 HZ PHE 17 -0.794 6.066 -3.757
145 H THR 18 H THR 18 -1.702 3.311 -10.013
146 HA THR 18 HA THR 18 -3.188 1.487 -11.742
147 HB THR 18 HB THR 18 -1.567 2.196 -13.644
148 HG1 THR 18 HG1 THR 18 -0.993 4.016 -11.736
149 1HG2 THR 18 1HG2 THR 18 -3.841 4.027 -12.857
150 2HG2 THR 18 2HG2 THR 18 -3.995 2.520 -13.762
151 3HG2 THR 18 3HG2 THR 18 -3.137 3.891 -14.467
152 H VAL 19 H VAL 19 -1.949 -0.351 -12.318
153 HA VAL 19 HA VAL 19 0.279 -0.845 -10.552
154 HB VAL 19 HB VAL 19 -1.365 -2.619 -10.933
155 1HG1 VAL 19 1HG1 VAL 19 -1.482 -3.815 -13.067
156 2HG1 VAL 19 2HG1 VAL 19 -0.389 -2.632 -13.783
157 3HG1 VAL 19 3HG1 VAL 19 -1.989 -2.133 -13.229
158 1HG2 VAL 19 1HG2 VAL 19 0.156 -4.472 -11.371
159 2HG2 VAL 19 2HG2 VAL 19 0.912 -3.261 -10.335
160 3HG2 VAL 19 3HG2 VAL 19 1.338 -3.350 -12.041
161 H ASP 20 H ASP 20 2.382 -0.494 -11.021
162 HA ASP 20 HA ASP 20 3.109 0.079 -13.795
163 1HB ASP 20 2HB ASP 20 5.251 0.833 -12.967
164 2HB ASP 20 1HB ASP 20 3.977 1.578 -12.009
165 H VAL 21 H VAL 21 3.639 -2.299 -11.301
166 HA VAL 21 HA VAL 21 4.833 -4.022 -13.325
167 HB VAL 21 HB VAL 21 6.692 -2.924 -12.114
168 1HG1 VAL 21 1HG1 VAL 21 5.521 -4.294 -9.701
169 2HG1 VAL 21 2HG1 VAL 21 5.790 -2.567 -9.940
170 3HG1 VAL 21 3HG1 VAL 21 7.165 -3.658 -9.776
171 1HG2 VAL 21 1HG2 VAL 21 6.426 -5.884 -11.664
172 2HG2 VAL 21 2HG2 VAL 21 7.935 -4.967 -11.622
173 3HG2 VAL 21 3HG2 VAL 21 7.016 -5.080 -13.121
174 H VAL 22 H VAL 22 4.081 -6.049 -13.242
175 HA VAL 22 HA VAL 22 2.560 -6.802 -10.841
176 HB VAL 22 HB VAL 22 1.032 -6.495 -12.667
177 1HG1 VAL 22 1HG1 VAL 22 1.177 -7.777 -14.754
178 2HG1 VAL 22 2HG1 VAL 22 2.734 -8.424 -14.235
179 3HG1 VAL 22 3HG1 VAL 22 2.555 -6.696 -14.541
180 1HG2 VAL 22 1HG2 VAL 22 0.554 -8.348 -11.171
181 2HG2 VAL 22 2HG2 VAL 22 1.502 -9.434 -12.187
182 3HG2 VAL 22 3HG2 VAL 22 0.015 -8.717 -12.809
183 H THR 23 H THR 23 3.530 -8.299 -9.692
184 HA THR 23 HA THR 23 4.870 -10.505 -11.100
185 HB THR 23 HB THR 23 6.616 -10.585 -9.379
186 HG1 THR 23 HG1 THR 23 5.199 -8.350 -8.331
187 1HG2 THR 23 1HG2 THR 23 6.365 -7.858 -10.651
188 2HG2 THR 23 2HG2 THR 23 7.095 -9.289 -11.379
189 3HG2 THR 23 3HG2 THR 23 7.845 -8.533 -9.974
190 H ASN 24 H ASN 24 4.896 -12.509 -9.900
191 HA ASN 24 HA ASN 24 2.492 -13.139 -8.626
192 1HB ASN 24 2HB ASN 24 5.146 -14.592 -8.452
193 2HB ASN 24 1HB ASN 24 3.594 -15.263 -7.972
194 1HD2 ASN 24 1HD2 ASN 24 3.694 -16.940 -9.409
195 2HD2 ASN 24 2HD2 ASN 24 3.548 -16.727 -11.123
196 H LYS 25 H LYS 25 5.324 -11.695 -7.424
197 HA LYS 25 HA LYS 25 4.949 -12.503 -4.670
198 1HB LYS 25 2HB LYS 25 6.918 -10.528 -5.841
199 2HB LYS 25 1HB LYS 25 7.008 -11.294 -4.259
200 1HG LYS 25 2HG LYS 25 7.045 -12.893 -6.800
201 2HG LYS 25 1HG LYS 25 8.512 -12.206 -6.102
202 1HD LYS 25 2HD LYS 25 6.638 -13.948 -4.527
203 2HD LYS 25 1HD LYS 25 7.966 -14.611 -5.482
204 1HE LYS 25 2HE LYS 25 9.580 -13.396 -4.193
205 2HE LYS 25 1HE LYS 25 8.311 -12.505 -3.354
206 1HZ LYS 25 1HZ LYS 25 7.594 -14.520 -2.292
207 2HZ LYS 25 2HZ LYS 25 9.259 -14.314 -2.017
208 3HZ LYS 25 3HZ LYS 25 8.724 -15.443 -3.163
209 H THR 26 H THR 26 4.364 -9.688 -6.708
210 HA THR 26 HA THR 26 2.820 -8.367 -4.720
211 HB THR 26 HB THR 26 5.036 -7.946 -3.747
212 HG1 THR 26 HG1 THR 26 3.253 -6.254 -3.903
213 1HG2 THR 26 1HG2 THR 26 6.654 -6.507 -4.920
214 2HG2 THR 26 2HG2 THR 26 5.646 -6.569 -6.364
215 3HG2 THR 26 3HG2 THR 26 6.403 -8.040 -5.754
216 H TYR 27 H TYR 27 1.789 -6.508 -5.471
217 HA TYR 27 HA TYR 27 2.015 -5.976 -8.349
218 1HB TYR 27 2HB TYR 27 -0.091 -5.184 -6.325
219 2HB TYR 27 1HB TYR 27 -0.103 -4.683 -8.007
220 HD1 TYR 27 HD1 TYR 27 -0.446 -6.378 -9.788
221 HD2 TYR 27 HD2 TYR 27 -0.884 -7.324 -5.668
222 HE1 TYR 27 HE1 TYR 27 -1.741 -8.372 -10.393
223 HE2 TYR 27 HE2 TYR 27 -2.180 -9.327 -6.259
224 HH TYR 27 HH TYR 27 -2.359 -10.517 -9.477
225 H GLY 28 H GLY 28 3.424 -4.374 -8.816
226 1HA GLY 28 2HA GLY 28 4.003 -2.241 -6.978
227 2HA GLY 28 1HA GLY 28 4.522 -2.343 -8.657
228 H TYR 29 H TYR 29 2.900 -0.414 -6.712
229 HA TYR 29 HA TYR 29 0.781 0.152 -8.666
230 1HB TYR 29 2HB TYR 29 0.642 -0.416 -5.845
231 2HB TYR 29 1HB TYR 29 -0.041 1.166 -6.187
232 HD1 TYR 29 HD1 TYR 29 -2.261 1.288 -6.888
233 HD2 TYR 29 HD2 TYR 29 -0.147 -2.363 -7.422
234 HE1 TYR 29 HE1 TYR 29 -4.322 0.221 -7.688
235 HE2 TYR 29 HE2 TYR 29 -2.207 -3.449 -8.222
236 HH TYR 29 HH TYR 29 -5.103 -1.600 -8.879
237 H ARG 30 H ARG 30 1.280 1.900 -9.737
238 HA ARG 30 HA ARG 30 2.875 3.991 -8.434
239 1HB ARG 30 2HB ARG 30 3.685 4.588 -10.564
240 2HB ARG 30 1HB ARG 30 3.665 2.829 -10.573
241 1HG ARG 30 2HG ARG 30 1.570 2.850 -11.825
242 2HG ARG 30 1HG ARG 30 1.563 4.613 -11.790
243 1HD ARG 30 2HD ARG 30 3.835 4.466 -12.948
244 2HD ARG 30 1HD ARG 30 3.436 2.775 -13.249
245 HE ARG 30 HE ARG 30 2.255 5.106 -14.496
246 1HH1 ARG 30 1HH1 ARG 30 1.946 1.666 -13.880
247 2HH1 ARG 30 2HH1 ARG 30 0.841 1.397 -15.195
248 1HH2 ARG 30 1HH2 ARG 30 0.809 4.745 -16.227
249 2HH2 ARG 30 2HH2 ARG 30 0.214 3.141 -16.539
250 H ARG 31 H ARG 31 2.332 6.166 -8.700
251 HA ARG 31 HA ARG 31 0.113 6.987 -10.311
252 1HB ARG 31 2HB ARG 31 -0.980 6.200 -8.177
253 2HB ARG 31 1HB ARG 31 -0.089 7.456 -7.331
254 1HG ARG 31 2HG ARG 31 -1.194 9.147 -8.734
255 2HG ARG 31 1HG ARG 31 -2.137 7.861 -9.494
256 1HD ARG 31 2HD ARG 31 -3.429 8.931 -7.733
257 2HD ARG 31 1HD ARG 31 -3.059 7.259 -7.307
258 HE ARG 31 HE ARG 31 -1.080 8.440 -6.070
259 1HH1 ARG 31 1HH1 ARG 31 -4.425 9.439 -6.244
260 2HH1 ARG 31 2HH1 ARG 31 -4.365 10.353 -4.763
261 1HH2 ARG 31 1HH2 ARG 31 -1.020 9.571 -4.078
262 2HH2 ARG 31 2HH2 ARG 31 -2.447 10.391 -3.511
263 H GLY 32 H GLY 32 1.648 8.255 -11.319
264 1HA GLY 32 2HA GLY 32 2.923 10.166 -11.628
265 2HA GLY 32 1HA GLY 32 2.476 10.683 -10.004
266 H GLU 33 H GLU 33 4.331 11.048 -8.912
267 HA GLU 33 HA GLU 33 6.493 9.092 -9.149
268 1HB GLU 33 2HB GLU 33 6.363 11.740 -7.698
269 2HB GLU 33 1HB GLU 33 7.751 10.665 -7.652
270 1HG GLU 33 2HG GLU 33 8.424 12.057 -9.304
271 2HG GLU 33 1HG GLU 33 7.553 10.873 -10.276
272 H ASN 34 H ASN 34 3.730 9.134 -7.598
273 HA ASN 34 HA ASN 34 4.700 8.344 -4.965
274 1HB ASN 34 2HB ASN 34 1.852 8.378 -6.002
275 2HB ASN 34 1HB ASN 34 2.356 8.196 -4.327
276 1HD2 ASN 34 1HD2 ASN 34 4.465 10.245 -4.619
277 2HD2 ASN 34 2HD2 ASN 34 3.638 11.764 -4.634
278 H TYR 35 H TYR 35 5.664 6.393 -5.097
279 HA TYR 35 HA TYR 35 4.259 4.256 -6.545
280 1HB TYR 35 2HB TYR 35 7.176 4.478 -5.776
281 2HB TYR 35 1HB TYR 35 6.452 3.082 -6.565
282 HD1 TYR 35 HD1 TYR 35 7.981 6.276 -7.041
283 HD2 TYR 35 HD2 TYR 35 5.393 3.435 -8.863
284 HE1 TYR 35 HE1 TYR 35 8.425 7.288 -9.236
285 HE2 TYR 35 HE2 TYR 35 5.830 4.440 -11.063
286 HH TYR 35 HH TYR 35 8.358 6.473 -11.680
287 H VAL 36 H VAL 36 3.278 2.763 -5.399
288 HA VAL 36 HA VAL 36 4.455 1.953 -2.824
289 HB VAL 36 HB VAL 36 2.221 1.424 -1.953
290 1HG1 VAL 36 1HG1 VAL 36 1.430 3.720 -1.578
291 2HG1 VAL 36 2HG1 VAL 36 2.510 4.288 -2.852
292 3HG1 VAL 36 3HG1 VAL 36 3.175 3.574 -1.384
293 1HG2 VAL 36 1HG2 VAL 36 1.178 2.752 -4.451
294 2HG2 VAL 36 2HG2 VAL 36 0.205 2.234 -3.076
295 3HG2 VAL 36 3HG2 VAL 36 1.056 1.039 -4.054
296 H TYR 37 H TYR 37 3.540 -0.336 -2.243
297 HA TYR 37 HA TYR 37 3.285 -1.954 -4.683
298 1HB TYR 37 2HB TYR 37 5.313 -2.397 -2.479
299 2HB TYR 37 1HB TYR 37 4.932 -3.584 -3.722
300 HD1 TYR 37 HD1 TYR 37 6.594 -0.397 -3.009
301 HD2 TYR 37 HD2 TYR 37 5.644 -3.248 -6.021
302 HE1 TYR 37 HE1 TYR 37 8.251 0.637 -4.505
303 HE2 TYR 37 HE2 TYR 37 7.298 -2.223 -7.520
304 HH TYR 37 HH TYR 37 8.422 -0.103 -7.837
305 H VAL 38 H VAL 38 1.856 -3.570 -4.494
306 HA VAL 38 HA VAL 38 0.621 -3.995 -1.865
307 HB VAL 38 HB VAL 38 -0.344 -4.918 -4.577
308 1HG1 VAL 38 1HG1 VAL 38 -1.199 -6.285 -2.766
309 2HG1 VAL 38 2HG1 VAL 38 -2.484 -5.279 -3.432
310 3HG1 VAL 38 3HG1 VAL 38 -1.727 -4.842 -1.900
311 1HG2 VAL 38 1HG2 VAL 38 -1.195 -2.533 -2.942
312 2HG2 VAL 38 2HG2 VAL 38 -1.984 -3.099 -4.415
313 3HG2 VAL 38 3HG2 VAL 38 -0.328 -2.494 -4.477
314 H ASN 39 H ASN 39 1.459 -5.612 -0.738
315 HA ASN 39 HA ASN 39 3.046 -7.679 -1.859
316 1HB ASN 39 2HB ASN 39 3.239 -6.877 0.491
317 2HB ASN 39 1HB ASN 39 1.679 -7.602 0.842
318 1HD2 ASN 39 1HD2 ASN 39 4.132 -9.049 -1.225
319 2HD2 ASN 39 2HD2 ASN 39 4.487 -10.376 -0.174
320 H ARG 40 H ARG 40 2.198 -9.134 -3.214
321 HA ARG 40 HA ARG 40 -0.558 -9.895 -3.131
322 1HB ARG 40 2HB ARG 40 0.785 -9.753 -5.230
323 2HB ARG 40 1HB ARG 40 1.713 -11.145 -4.693
324 1HG ARG 40 2HG ARG 40 -0.353 -12.489 -4.696
325 2HG ARG 40 1HG ARG 40 -1.230 -11.088 -5.321
326 1HD ARG 40 2HD ARG 40 0.221 -11.066 -7.288
327 2HD ARG 40 1HD ARG 40 1.085 -12.471 -6.666
328 HE ARG 40 HE ARG 40 -1.736 -12.469 -7.534
329 1HH1 ARG 40 1HH1 ARG 40 1.268 -14.138 -6.896
330 2HH1 ARG 40 2HH1 ARG 40 0.752 -15.621 -7.647
331 1HH2 ARG 40 1HH2 ARG 40 -2.428 -14.394 -8.515
332 2HH2 ARG 40 2HH2 ARG 40 -1.356 -15.768 -8.571
333 H GLU 41 H GLU 41 2.322 -10.990 -1.692
334 HA GLU 41 HA GLU 41 1.379 -13.672 -1.144
335 1HB GLU 41 2HB GLU 41 3.803 -12.213 -0.081
336 2HB GLU 41 1HB GLU 41 3.500 -13.941 0.019
337 1HG GLU 41 2HG GLU 41 3.787 -14.217 -2.315
338 2HG GLU 41 1HG GLU 41 3.767 -12.475 -2.589
339 H ALA 42 H ALA 42 0.343 -10.873 -0.001
340 HA ALA 42 HA ALA 42 0.640 -11.285 2.833
341 1HB ALA 42 1HB ALA 42 -0.789 -9.319 3.071
342 2HB ALA 42 2HB ALA 42 -1.106 -9.333 1.336
343 3HB ALA 42 3HB ALA 42 0.525 -9.022 1.933
344 H ARG 43 H ARG 43 -0.263 -13.552 2.364
345 HA ARG 43 HA ARG 43 -3.062 -13.894 2.083
346 1HB ARG 43 2HB ARG 43 -0.771 -15.552 2.382
347 2HB ARG 43 1HB ARG 43 -1.919 -16.016 3.630
348 1HG ARG 43 2HG ARG 43 -2.580 -15.822 0.697
349 2HG ARG 43 1HG ARG 43 -2.144 -17.313 1.533
350 1HD ARG 43 2HD ARG 43 -4.072 -17.074 2.999
351 2HD ARG 43 1HD ARG 43 -4.496 -15.552 2.217
352 HE ARG 43 HE ARG 43 -4.587 -17.129 0.126
353 1HH1 ARG 43 1HH1 ARG 43 -5.689 -17.812 3.378
354 2HH1 ARG 43 2HH1 ARG 43 -6.956 -18.882 2.855
355 1HH2 ARG 43 1HH2 ARG 43 -6.257 -18.507 -0.570
356 2HH2 ARG 43 2HH2 ARG 43 -7.289 -19.278 0.609
357 H MET 44 H MET 44 -0.986 -13.095 4.733
358 HA MET 44 HA MET 44 -2.949 -13.632 6.776
359 1HB MET 44 2HB MET 44 -0.373 -12.050 6.859
360 2HB MET 44 1HB MET 44 -1.363 -12.414 8.264
361 1HG MET 44 2HG MET 44 -0.996 -14.811 7.878
362 2HG MET 44 1HG MET 44 0.032 -14.416 6.504
363 1HE MET 44 1HE MET 44 0.977 -16.278 8.951
364 2HE MET 44 2HE MET 44 2.622 -15.673 9.148
365 3HE MET 44 3HE MET 44 1.954 -15.895 7.532
366 H GLY 45 H GLY 45 -2.209 -11.050 4.634
367 1HA GLY 45 2HA GLY 45 -3.323 -9.071 4.230
368 2HA GLY 45 1HA GLY 45 -4.474 -9.521 5.478
369 H ARG 46 H ARG 46 -1.314 -9.660 6.613
370 HA ARG 46 HA ARG 46 -1.769 -7.183 8.114
371 1HB ARG 46 2HB ARG 46 -1.512 -9.365 9.329
372 2HB ARG 46 1HB ARG 46 0.140 -9.441 8.738
373 1HG ARG 46 2HG ARG 46 0.653 -7.360 9.929
374 2HG ARG 46 1HG ARG 46 -1.002 -7.317 10.542
375 1HD ARG 46 2HD ARG 46 -0.650 -9.427 11.693
376 2HD ARG 46 1HD ARG 46 0.984 -9.532 11.037
377 HE ARG 46 HE ARG 46 0.215 -7.286 12.773
378 1HH1 ARG 46 1HH1 ARG 46 2.195 -10.100 12.139
379 2HH1 ARG 46 2HH1 ARG 46 3.322 -9.759 13.419
380 1HH2 ARG 46 1HH2 ARG 46 1.683 -6.818 14.450
381 2HH2 ARG 46 2HH2 ARG 46 3.048 -7.871 14.720
382 H THR 47 H THR 47 0.010 -8.319 5.543
383 HA THR 47 HA THR 47 2.027 -6.206 5.893
384 HB THR 47 HB THR 47 3.591 -7.706 4.574
385 HG1 THR 47 HG1 THR 47 2.580 -9.415 3.801
386 1HG2 THR 47 1HG2 THR 47 3.858 -7.374 6.985
387 2HG2 THR 47 2HG2 THR 47 4.265 -9.027 6.528
388 3HG2 THR 47 3HG2 THR 47 2.716 -8.681 7.297
389 H ALA 48 H ALA 48 -0.542 -6.214 4.482
390 HA ALA 48 HA ALA 48 -0.179 -6.877 1.744
391 1HB ALA 48 1HB ALA 48 -2.382 -5.930 1.412
392 2HB ALA 48 2HB ALA 48 -2.329 -5.193 3.012
393 3HB ALA 48 3HB ALA 48 -2.359 -6.950 2.851
394 H LEU 49 H LEU 49 -0.443 -3.705 3.383
395 HA LEU 49 HA LEU 49 0.086 -2.410 0.834
396 1HB LEU 49 2HB LEU 49 -1.687 -1.490 2.222
397 2HB LEU 49 1HB LEU 49 -0.555 -1.227 3.534
398 HG LEU 49 HG LEU 49 0.679 0.389 2.085
399 1HD1 LEU 49 1HD1 LEU 49 -0.424 1.231 0.073
400 2HD1 LEU 49 2HD1 LEU 49 -1.667 -0.011 0.235
401 3HD1 LEU 49 3HD1 LEU 49 0.005 -0.473 -0.084
402 1HD2 LEU 49 1HD2 LEU 49 -0.954 2.185 2.298
403 2HD2 LEU 49 2HD2 LEU 49 -0.972 1.147 3.724
404 3HD2 LEU 49 3HD2 LEU 49 -2.243 1.002 2.511
405 H ILE 50 H ILE 50 2.128 -2.290 0.225
406 HA ILE 50 HA ILE 50 4.168 -1.551 2.212
407 HB ILE 50 HB ILE 50 4.651 -2.342 -0.662
408 1HG1 ILE 50 2HG1 ILE 50 3.537 -4.227 0.413
409 2HG1 ILE 50 1HG1 ILE 50 5.241 -4.595 0.176
410 1HG2 ILE 50 1HG2 ILE 50 6.443 -2.266 1.757
411 2HG2 ILE 50 2HG2 ILE 50 6.439 -1.116 0.422
412 3HG2 ILE 50 3HG2 ILE 50 6.919 -2.791 0.141
413 1HD1 ILE 50 1HD1 ILE 50 3.944 -3.747 2.750
414 2HD1 ILE 50 2HD1 ILE 50 5.663 -4.074 2.530
415 3HD1 ILE 50 3HD1 ILE 50 4.485 -5.373 2.330
416 H ILE 51 H ILE 51 4.836 0.525 2.262
417 HA ILE 51 HA ILE 51 4.252 2.206 -0.093
418 HB ILE 51 HB ILE 51 4.188 4.142 1.327
419 1HG1 ILE 51 2HG1 ILE 51 4.783 2.293 3.640
420 2HG1 ILE 51 1HG1 ILE 51 5.944 3.398 2.913
421 1HG2 ILE 51 1HG2 ILE 51 2.552 1.894 2.492
422 2HG2 ILE 51 2HG2 ILE 51 2.106 2.935 1.136
423 3HG2 ILE 51 3HG2 ILE 51 2.250 3.612 2.761
424 1HD1 ILE 51 1HD1 ILE 51 4.554 5.292 3.582
425 2HD1 ILE 51 2HD1 ILE 51 5.041 4.311 4.965
426 3HD1 ILE 51 3HD1 ILE 51 3.401 4.178 4.322
427 H HIS 52 H HIS 52 5.796 4.013 -0.400
428 HA HIS 52 HA HIS 52 8.481 3.207 -0.529
429 1HB HIS 52 2HB HIS 52 7.558 4.935 -1.994
430 2HB HIS 52 1HB HIS 52 7.245 5.979 -0.613
431 HD1 HIS 52 HD1 HIS 52 9.417 6.967 0.593
432 HD2 HIS 52 HD2 HIS 52 10.061 5.164 -3.095
433 HE1 HIS 52 HE1 HIS 52 11.674 7.763 -0.152
434 HE2 HIS 52 HE2 HIS 52 11.937 6.850 -2.493
435 HA PRO 53 HA PRO 53 10.009 3.931 3.656
436 1HB PRO 53 2HB PRO 53 12.579 4.597 2.800
437 2HB PRO 53 1HB PRO 53 12.009 2.973 3.192
438 1HG PRO 53 2HG PRO 53 12.271 4.301 0.534
439 2HG PRO 53 1HG PRO 53 12.588 2.617 0.986
440 1HD PRO 53 2HD PRO 53 10.374 3.288 -0.332
441 2HD PRO 53 1HD PRO 53 10.333 2.055 0.945
442 H ARG 54 H ARG 54 11.915 5.735 4.360
443 HA ARG 54 HA ARG 54 12.285 7.921 4.859
444 1HB ARG 54 2HB ARG 54 12.589 8.498 2.575
445 2HB ARG 54 1HB ARG 54 10.869 8.358 2.233
446 1HG ARG 54 2HG ARG 54 10.432 10.328 3.602
447 2HG ARG 54 1HG ARG 54 12.152 10.461 3.960
448 1HD ARG 54 2HD ARG 54 10.943 10.616 1.202
449 2HD ARG 54 1HD ARG 54 11.413 12.006 2.178
450 HE ARG 54 HE ARG 54 13.185 10.145 0.796
451 1HH1 ARG 54 1HH1 ARG 54 12.856 12.804 3.080
452 2HH1 ARG 54 2HH1 ARG 54 14.506 13.326 2.883
453 1HH2 ARG 54 1HH2 ARG 54 15.355 10.869 0.545
454 2HH2 ARG 54 2HH2 ARG 54 15.910 12.237 1.466
455 H LEU 55 H LEU 55 9.116 6.805 4.143
456 HA LEU 55 HA LEU 55 7.793 8.924 5.627
457 1HB LEU 55 2HB LEU 55 6.849 6.641 3.920
458 2HB LEU 55 1HB LEU 55 5.738 7.566 4.913
459 HG LEU 55 HG LEU 55 7.517 8.871 2.864
460 1HD1 LEU 55 1HD1 LEU 55 4.707 7.815 2.524
461 2HD1 LEU 55 2HD1 LEU 55 6.154 7.239 1.694
462 3HD1 LEU 55 3HD1 LEU 55 5.545 8.864 1.381
463 1HD2 LEU 55 1HD2 LEU 55 5.745 10.611 3.018
464 2HD2 LEU 55 2HD2 LEU 55 6.632 10.362 4.523
465 3HD2 LEU 55 3HD2 LEU 55 5.013 9.687 4.334
466 H LYS 56 H LYS 56 9.474 6.531 6.771
467 HA LYS 56 HA LYS 56 7.870 4.763 8.152
468 1HB LYS 56 2HB LYS 56 10.560 5.799 8.497
469 2HB LYS 56 1HB LYS 56 9.792 5.472 10.037
470 1HG LYS 56 2HG LYS 56 10.373 3.558 7.817
471 2HG LYS 56 1HG LYS 56 10.987 3.568 9.465
472 1HD LYS 56 2HD LYS 56 8.086 3.140 8.802
473 2HD LYS 56 1HD LYS 56 9.241 1.826 8.959
474 1HE LYS 56 2HE LYS 56 8.689 3.853 11.119
475 2HE LYS 56 1HE LYS 56 7.893 2.286 11.014
476 1HZ LYS 56 1HZ LYS 56 9.727 2.170 12.534
477 2HZ LYS 56 2HZ LYS 56 10.804 2.771 11.373
478 3HZ LYS 56 3HZ LYS 56 10.104 1.236 11.167
479 H ASP 57 H ASP 57 9.079 7.862 9.336
480 HA ASP 57 HA ASP 57 7.793 7.552 11.815
481 1HB ASP 57 2HB ASP 57 9.836 8.870 11.605
482 2HB ASP 57 1HB ASP 57 9.019 10.010 10.543
483 H ARG 58 H ARG 58 7.118 9.492 8.936
484 HA ARG 58 HA ARG 58 4.829 10.831 9.841
485 1HB ARG 58 2HB ARG 58 5.880 11.524 7.798
486 2HB ARG 58 1HB ARG 58 5.659 9.937 7.079
487 1HG ARG 58 2HG ARG 58 4.095 11.485 6.116
488 2HG ARG 58 1HG ARG 58 3.221 10.299 7.084
489 1HD ARG 58 2HD ARG 58 3.116 11.942 8.930
490 2HD ARG 58 1HD ARG 58 3.916 13.123 7.891
491 HE ARG 58 HE ARG 58 1.678 12.181 6.525
492 1HH1 ARG 58 1HH1 ARG 58 2.408 14.053 9.393
493 2HH1 ARG 58 2HH1 ARG 58 0.907 14.935 9.351
494 1HH2 ARG 58 1HH2 ARG 58 -0.291 13.331 6.459
495 2HH2 ARG 58 2HH2 ARG 58 -0.632 14.524 7.681
496 H SER 59 H SER 59 5.132 7.747 8.103
497 HA SER 59 HA SER 59 2.392 7.183 7.966
498 1HB SER 59 2HB SER 59 3.812 5.965 6.530
499 2HB SER 59 1HB SER 59 4.828 5.419 7.858
500 HG SER 59 HG SER 59 2.419 4.573 8.431
501 H SER 60 H SER 60 4.807 6.244 10.428
502 HA SER 60 HA SER 60 3.116 4.537 11.873
503 1HB SER 60 2HB SER 60 4.727 4.991 13.789
504 2HB SER 60 1HB SER 60 5.437 4.377 12.298
505 HG SER 60 HG SER 60 5.310 7.139 12.950
506 H SER 61 H SER 61 3.229 7.979 11.760
507 HA SER 61 HA SER 61 1.918 8.480 14.243
508 1HB SER 61 2HB SER 61 3.252 10.199 13.098
509 2HB SER 61 1HB SER 61 2.128 10.183 11.740
510 HG SER 61 HG SER 61 1.507 10.916 14.422
511 H LEU 62 H LEU 62 0.900 7.469 11.120
512 HA LEU 62 HA LEU 62 -1.919 8.030 11.759
513 1HB LEU 62 2HB LEU 62 -0.608 7.452 9.101
514 2HB LEU 62 1HB LEU 62 -2.320 7.746 9.338
515 HG LEU 62 HG LEU 62 -0.175 9.768 9.974
516 1HD1 LEU 62 1HD1 LEU 62 -1.906 9.507 7.520
517 2HD1 LEU 62 2HD1 LEU 62 -0.155 9.303 7.596
518 3HD1 LEU 62 3HD1 LEU 62 -0.873 10.885 7.902
519 1HD2 LEU 62 1HD2 LEU 62 -3.169 9.998 9.705
520 2HD2 LEU 62 2HD2 LEU 62 -2.056 11.335 10.000
521 3HD2 LEU 62 3HD2 LEU 62 -2.250 10.065 11.208
522 H ALA 63 H ALA 63 -0.063 5.647 9.892
523 HA ALA 63 HA ALA 63 -1.848 3.544 10.924
524 1HB ALA 63 1HB ALA 63 -2.183 4.003 8.531
525 2HB ALA 63 2HB ALA 63 -1.573 2.374 8.818
526 3HB ALA 63 3HB ALA 63 -0.486 3.634 8.234
527 H ASP 64 H ASP 64 -0.827 2.292 12.299
528 HA ASP 64 HA ASP 64 1.996 2.316 12.619
529 1HB ASP 64 2HB ASP 64 0.244 1.968 14.429
530 2HB ASP 64 1HB ASP 64 0.068 0.325 13.820
531 HA PRO 65 HA PRO 65 2.974 -0.879 9.683
532 1HB PRO 65 2HB PRO 65 5.565 -1.233 10.384
533 2HB PRO 65 1HB PRO 65 5.008 0.176 9.474
534 1HG PRO 65 2HG PRO 65 5.573 -0.084 12.402
535 2HG PRO 65 1HG PRO 65 6.012 1.227 11.291
536 1HD PRO 65 2HD PRO 65 3.892 1.387 12.972
537 2HD PRO 65 1HD PRO 65 3.916 2.179 11.384
538 H ALA 66 H ALA 66 3.200 -3.095 9.645
539 HA ALA 66 HA ALA 66 2.557 -4.476 12.068
540 1HB ALA 66 1HB ALA 66 1.623 -5.168 9.917
541 2HB ALA 66 2HB ALA 66 2.520 -6.480 10.679
542 3HB ALA 66 3HB ALA 66 3.239 -5.578 9.345
543 H SER 67 H SER 67 5.165 -5.162 9.743
544 HA SER 67 HA SER 67 6.814 -6.268 11.759
545 1HB SER 67 2HB SER 67 7.601 -5.630 8.943
546 2HB SER 67 1HB SER 67 8.298 -6.838 10.005
547 HG SER 67 HG SER 67 6.941 -8.125 9.041
548 H ASP 68 H ASP 68 7.680 -4.012 9.465
549 HA ASP 68 HA ASP 68 8.093 -1.663 10.774
550 1HB ASP 68 2HB ASP 68 9.825 -3.285 12.017
551 2HB ASP 68 1HB ASP 68 10.807 -2.909 10.606
552 H ILE 69 H ILE 69 10.250 -3.731 8.940
553 HA ILE 69 HA ILE 69 9.696 -2.234 6.484
554 HB ILE 69 HB ILE 69 12.161 -2.571 5.884
555 1HG1 ILE 69 2HG1 ILE 69 12.479 -2.668 8.884
556 2HG1 ILE 69 1HG1 ILE 69 12.567 -4.097 7.865
557 1HG2 ILE 69 1HG2 ILE 69 11.444 -0.581 8.040
558 2HG2 ILE 69 2HG2 ILE 69 11.213 -0.375 6.302
559 3HG2 ILE 69 3HG2 ILE 69 12.843 -0.477 6.967
560 1HD1 ILE 69 1HD1 ILE 69 14.781 -3.309 8.385
561 2HD1 ILE 69 2HD1 ILE 69 14.390 -1.704 7.766
562 3HD1 ILE 69 3HD1 ILE 69 14.462 -3.080 6.665
563 H LYS 70 H LYS 70 10.005 -3.502 4.587
564 HA LYS 70 HA LYS 70 10.200 -6.399 5.091
565 1HB LYS 70 2HB LYS 70 7.844 -5.653 4.768
566 2HB LYS 70 1HB LYS 70 8.281 -5.057 3.175
567 1HG LYS 70 2HG LYS 70 8.825 -7.311 2.460
568 2HG LYS 70 1HG LYS 70 8.455 -7.927 4.074
569 1HD LYS 70 2HD LYS 70 6.141 -7.063 3.817
570 2HD LYS 70 1HD LYS 70 6.533 -6.602 2.161
571 1HE LYS 70 2HE LYS 70 6.654 -9.405 3.269
572 2HE LYS 70 1HE LYS 70 5.338 -8.750 2.296
573 1HZ LYS 70 1HZ LYS 70 7.005 -8.348 0.517
574 2HZ LYS 70 2HZ LYS 70 6.757 -9.985 0.881
575 3HZ LYS 70 3HZ LYS 70 8.144 -9.200 1.446
576 H THR 71 H THR 71 11.940 -7.139 4.089
577 HA THR 71 HA THR 71 13.035 -5.708 1.827
578 HB THR 71 HB THR 71 14.904 -7.382 2.036
579 HG1 THR 71 HG1 THR 71 14.905 -8.660 3.930
580 1HG2 THR 71 1HG2 THR 71 14.196 -5.806 4.514
581 2HG2 THR 71 2HG2 THR 71 15.019 -5.177 3.088
582 3HG2 THR 71 3HG2 THR 71 15.804 -6.395 4.093
583 H CYS 72 H CYS 72 13.228 -6.453 -0.209
584 HA CYS 72 HA CYS 72 12.717 -8.955 -1.262
585 1HB CYS 72 2HB CYS 72 10.445 -8.752 -0.303
586 2HB CYS 72 1HB CYS 72 10.214 -7.241 -1.174
587 HG CYS 72 HG CYS 72 10.882 -10.106 -2.892
588 H ASP 73 H ASP 73 13.647 -8.736 -3.204
589 HA ASP 73 HA ASP 73 14.289 -6.105 -4.112
590 1HB ASP 73 2HB ASP 73 14.969 -8.836 -5.174
591 2HB ASP 73 1HB ASP 73 15.518 -7.344 -5.938
592 H HIS 74 H HIS 74 11.495 -6.691 -4.264
593 HA HIS 74 HA HIS 74 11.123 -6.183 -7.139
594 1HB HIS 74 2HB HIS 74 9.217 -7.306 -5.089
595 2HB HIS 74 1HB HIS 74 8.662 -6.654 -6.626
596 HD1 HIS 74 HD1 HIS 74 7.770 -9.022 -7.273
597 HD2 HIS 74 HD2 HIS 74 11.887 -8.812 -6.720
598 HE1 HIS 74 HE1 HIS 74 8.690 -11.181 -8.180
599 HE2 HIS 74 HE2 HIS 74 11.194 -10.921 -8.052
600 H TYR 75 H TYR 75 10.922 -4.932 -3.938
601 HA TYR 75 HA TYR 75 9.421 -2.574 -4.835
602 1HB TYR 75 2HB TYR 75 10.545 -2.800 -2.071
603 2HB TYR 75 1HB TYR 75 9.075 -2.007 -2.610
604 HD1 TYR 75 HD1 TYR 75 10.043 -4.324 -0.463
605 HD2 TYR 75 HD2 TYR 75 7.530 -4.104 -3.888
606 HE1 TYR 75 HE1 TYR 75 8.745 -6.234 0.377
607 HE2 TYR 75 HE2 TYR 75 6.225 -6.018 -3.057
608 HH TYR 75 HH TYR 75 6.571 -7.968 -1.531
609 H GLN 76 H GLN 76 10.997 -1.547 -6.161
610 HA GLN 76 HA GLN 76 13.695 -1.317 -5.411
611 1HB GLN 76 2HB GLN 76 13.814 0.394 -7.214
612 2HB GLN 76 1HB GLN 76 13.130 -1.134 -7.716
613 1HG GLN 76 2HG GLN 76 11.536 0.103 -8.656
614 2HG GLN 76 1HG GLN 76 10.902 0.304 -7.040
615 1HE2 GLN 76 1HE2 GLN 76 9.997 2.288 -7.617
616 2HE2 GLN 76 2HE2 GLN 76 10.965 3.708 -7.809
617 H ASN 77 H ASN 77 11.418 1.353 -5.697
618 HA ASN 77 HA ASN 77 11.037 3.207 -4.583
619 1HB ASN 77 2HB ASN 77 12.195 1.633 -2.294
620 2HB ASN 77 1HB ASN 77 11.559 3.263 -2.099
621 1HD2 ASN 77 1HD2 ASN 77 10.829 -0.046 -2.361
622 2HD2 ASN 77 2HD2 ASN 77 9.107 0.098 -2.301
623 H PHE 78 H PHE 78 14.286 2.109 -4.697
624 HA PHE 78 HA PHE 78 16.100 3.380 -5.379
625 1HB PHE 78 2HB PHE 78 14.922 5.436 -5.755
626 2HB PHE 78 1HB PHE 78 14.783 5.725 -4.025
627 HD1 PHE 78 HD1 PHE 78 17.263 5.380 -6.769
628 HD2 PHE 78 HD2 PHE 78 16.425 6.925 -2.890
629 HE1 PHE 78 HE1 PHE 78 19.376 6.641 -6.816
630 HE2 PHE 78 HE2 PHE 78 18.535 8.186 -2.932
631 HZ PHE 78 HZ PHE 78 20.015 8.047 -4.896
632 HA PRO 79 HA PRO 79 17.797 4.361 -1.008
633 1HB PRO 79 2HB PRO 79 15.716 3.698 0.944
634 2HB PRO 79 1HB PRO 79 16.646 5.187 0.752
635 1HG PRO 79 2HG PRO 79 14.040 5.088 0.154
636 2HG PRO 79 1HG PRO 79 15.176 6.060 -0.799
637 1HD PRO 79 2HD PRO 79 14.097 3.321 -1.385
638 2HD PRO 79 1HD PRO 79 14.181 4.741 -2.454
639 H LEU 80 H LEU 80 16.783 1.604 -2.188
640 HA LEU 80 HA LEU 80 16.356 -0.422 -0.577
641 1HB LEU 80 2HB LEU 80 18.145 -1.761 -1.928
642 2HB LEU 80 1HB LEU 80 16.653 -1.205 -2.651
643 HG LEU 80 HG LEU 80 17.858 0.682 -3.673
644 1HD1 LEU 80 1HD1 LEU 80 20.298 0.716 -3.684
645 2HD1 LEU 80 2HD1 LEU 80 20.329 -0.636 -2.554
646 3HD1 LEU 80 3HD1 LEU 80 19.678 0.922 -2.045
647 1HD2 LEU 80 1HD2 LEU 80 19.038 -0.648 -5.314
648 2HD2 LEU 80 2HD2 LEU 80 17.510 -1.403 -4.843
649 3HD2 LEU 80 3HD2 LEU 80 19.033 -2.021 -4.203
650 H TYR 81 H TYR 81 17.166 -1.741 0.869
651 HA TYR 81 HA TYR 81 18.720 -0.538 2.816
652 1HB TYR 81 2HB TYR 81 17.002 -2.450 2.995
653 2HB TYR 81 1HB TYR 81 18.354 -3.519 2.636
654 HD1 TYR 81 HD1 TYR 81 19.369 -4.491 4.461
655 HD2 TYR 81 HD2 TYR 81 17.637 -0.631 4.893
656 HE1 TYR 81 HE1 TYR 81 19.988 -4.484 6.842
657 HE2 TYR 81 HE2 TYR 81 18.248 -0.611 7.271
658 HH TYR 81 HH TYR 81 18.783 -2.118 9.043
659 H LEU 82 H LEU 82 20.781 -0.586 3.394
660 HA LEU 82 HA LEU 82 22.680 -1.164 1.362
661 1HB LEU 82 2HB LEU 82 23.160 -0.357 4.225
662 2HB LEU 82 1HB LEU 82 24.308 -0.249 2.905
663 HG LEU 82 HG LEU 82 21.742 1.328 3.135
664 1HD1 LEU 82 1HD1 LEU 82 23.230 3.249 3.435
665 2HD1 LEU 82 2HD1 LEU 82 24.621 2.167 3.425
666 3HD1 LEU 82 3HD1 LEU 82 23.433 2.059 4.721
667 1HD2 LEU 82 1HD2 LEU 82 22.308 0.826 0.810
668 2HD2 LEU 82 2HD2 LEU 82 23.935 1.455 1.066
669 3HD2 LEU 82 3HD2 LEU 82 22.548 2.537 1.170
670 H GLY 83 H GLY 83 21.390 -2.998 3.921
671 1HA GLY 83 2HA GLY 83 23.595 -4.637 4.564
672 2HA GLY 83 1HA GLY 83 21.901 -5.063 4.777
673 H GLY 84 H GLY 84 24.717 -5.750 3.114
674 1HA GLY 84 2HA GLY 84 24.714 -7.890 1.926
675 2HA GLY 84 1HA GLY 84 23.191 -7.396 1.201
676 H GLU 85 H GLU 85 25.638 -8.244 -0.089
677 HA GLU 85 HA GLU 85 27.215 -6.187 -1.104
678 1HB GLU 85 2HB GLU 85 26.385 -8.699 -2.556
679 2HB GLU 85 1HB GLU 85 27.847 -7.762 -2.808
680 1HG GLU 85 2HG GLU 85 28.807 -8.488 -0.817
681 2HG GLU 85 1HG GLU 85 27.259 -9.036 -0.170
682 H THR 86 H THR 86 24.373 -7.740 -2.527
683 HA THR 86 HA THR 86 24.297 -5.948 -4.770
684 HB THR 86 HB THR 86 23.612 -8.318 -4.936
685 HG1 THR 86 HG1 THR 86 21.628 -7.906 -6.079
686 1HG2 THR 86 1HG2 THR 86 21.288 -7.470 -3.205
687 2HG2 THR 86 2HG2 THR 86 22.577 -8.587 -2.749
688 3HG2 THR 86 3HG2 THR 86 21.441 -9.026 -4.025
689 H HIS 87 H HIS 87 23.312 -5.705 -1.594
690 HA HIS 87 HA HIS 87 21.872 -4.437 -0.396
691 1HB HIS 87 2HB HIS 87 21.512 -2.893 -2.974
692 2HB HIS 87 1HB HIS 87 20.928 -2.381 -1.396
693 HD1 HIS 87 HD1 HIS 87 23.419 -2.894 0.319
694 HD2 HIS 87 HD2 HIS 87 23.534 -1.164 -3.456
695 HE1 HIS 87 HE1 HIS 87 25.535 -1.547 0.260
696 HE2 HIS 87 HE2 HIS 87 25.458 -0.326 -1.941
697 H GLU 88 H GLU 88 19.597 -4.251 0.073
698 HA GLU 88 HA GLU 88 18.066 -6.062 -1.668
699 1HB GLU 88 2HB GLU 88 16.856 -6.772 0.403
700 2HB GLU 88 1HB GLU 88 18.535 -7.269 0.303
701 1HG GLU 88 2HG GLU 88 19.074 -5.280 1.763
702 2HG GLU 88 1HG GLU 88 17.334 -5.125 2.023
703 H HIS 89 H HIS 89 16.361 -5.331 -2.550
704 HA HIS 89 HA HIS 89 15.414 -2.689 -2.180
705 1HB HIS 89 2HB HIS 89 14.136 -5.107 -3.486
706 2HB HIS 89 1HB HIS 89 13.466 -3.483 -3.566
707 HD1 HIS 89 HD1 HIS 89 17.102 -4.492 -4.096
708 HD2 HIS 89 HD2 HIS 89 13.882 -2.912 -6.187
709 HE1 HIS 89 HE1 HIS 89 18.043 -3.668 -6.273
710 HE2 HIS 89 HE2 HIS 89 16.032 -2.972 -7.620
711 H TYR 90 H TYR 90 13.488 -1.957 -1.104
712 HA TYR 90 HA TYR 90 12.123 -3.853 0.589
713 1HB TYR 90 2HB TYR 90 12.827 -3.046 2.688
714 2HB TYR 90 1HB TYR 90 14.305 -3.260 1.759
715 HD1 TYR 90 HD1 TYR 90 15.090 -1.057 0.448
716 HD2 TYR 90 HD2 TYR 90 12.563 -1.095 3.890
717 HE1 TYR 90 HE1 TYR 90 15.722 1.276 0.955
718 HE2 TYR 90 HE2 TYR 90 13.196 1.219 4.394
719 HH TYR 90 HH TYR 90 15.084 2.749 3.934
720 H GLY 91 H GLY 91 10.443 -2.943 1.831
721 1HA GLY 91 2HA GLY 91 9.757 -0.143 1.407
722 2HA GLY 91 1HA GLY 91 8.588 -1.348 0.866
723 H ILE 92 H ILE 92 7.497 0.143 2.683
724 HA ILE 92 HA ILE 92 8.026 -1.109 5.294
725 HB ILE 92 HB ILE 92 6.501 1.440 4.721
726 1HG1 ILE 92 2HG1 ILE 92 9.313 1.077 5.785
727 2HG1 ILE 92 1HG1 ILE 92 8.932 1.516 4.125
728 1HG2 ILE 92 1HG2 ILE 92 6.741 1.834 7.131
729 2HG2 ILE 92 2HG2 ILE 92 7.519 0.261 7.309
730 3HG2 ILE 92 3HG2 ILE 92 5.832 0.360 6.805
731 1HD1 ILE 92 1HD1 ILE 92 9.591 3.439 5.448
732 2HD1 ILE 92 2HD1 ILE 92 8.261 3.135 6.567
733 3HD1 ILE 92 3HD1 ILE 92 7.922 3.583 4.896
734 HA PRO 93 HA PRO 93 4.225 -3.307 4.501
735 1HB PRO 93 2HB PRO 93 4.386 -5.014 6.562
736 2HB PRO 93 1HB PRO 93 5.458 -5.143 5.163
737 1HG PRO 93 2HG PRO 93 6.000 -3.977 7.862
738 2HG PRO 93 1HG PRO 93 7.041 -4.992 6.848
739 1HD PRO 93 2HD PRO 93 7.248 -2.255 7.034
740 2HD PRO 93 1HD PRO 93 7.799 -3.206 5.641
741 H HIS 94 H HIS 94 2.148 -3.159 5.150
742 HA HIS 94 HA HIS 94 1.565 -2.048 7.799
743 1HB HIS 94 2HB HIS 94 0.508 -0.956 5.185
744 2HB HIS 94 1HB HIS 94 -0.115 -0.516 6.770
745 HD1 HIS 94 HD1 HIS 94 3.007 -0.227 4.672
746 HD2 HIS 94 HD2 HIS 94 1.273 1.466 8.047
747 HE1 HIS 94 HE1 HIS 94 4.471 1.715 5.278
748 HE2 HIS 94 HE2 HIS 94 3.249 2.877 7.158
749 H GLY 95 H GLY 95 -0.940 -1.913 7.972
750 1HA GLY 95 2HA GLY 95 -2.562 -3.745 6.582
751 2HA GLY 95 1HA GLY 95 -1.963 -4.485 8.068
752 H PHE 96 H PHE 96 -4.676 -3.978 7.688
753 HA PHE 96 HA PHE 96 -5.196 -1.823 9.584
754 1HB PHE 96 2HB PHE 96 -6.552 -1.968 6.875
755 2HB PHE 96 1HB PHE 96 -6.865 -0.779 8.134
756 HD1 PHE 96 HD1 PHE 96 -5.254 0.988 8.604
757 HD2 PHE 96 HD2 PHE 96 -4.626 -1.806 5.460
758 HE1 PHE 96 HE1 PHE 96 -3.528 2.457 7.646
759 HE2 PHE 96 HE2 PHE 96 -2.899 -0.344 4.497
760 HZ PHE 96 HZ PHE 96 -2.348 1.791 5.592
761 H SER 97 H SER 97 -8.019 -1.862 8.995
762 HA SER 97 HA SER 97 -8.884 -4.602 9.297
763 1HB SER 97 2HB SER 97 -10.095 -4.058 11.459
764 2HB SER 97 1HB SER 97 -8.338 -4.134 11.600
765 HG SER 97 HG SER 97 -8.324 -1.821 11.433
766 H SER 98 H SER 98 -9.635 -1.157 9.246
767 HA SER 98 HA SER 98 -12.233 -1.780 8.044
768 1HB SER 98 2HB SER 98 -11.255 0.852 9.178
769 2HB SER 98 1HB SER 98 -12.893 0.486 8.633
770 HG SER 98 HG SER 98 -12.528 0.344 10.957
771 H ARG 99 H ARG 99 -12.658 -1.223 6.001
772 HA ARG 99 HA ARG 99 -10.610 -0.638 4.179
773 1HB ARG 99 2HB ARG 99 -13.605 -0.312 3.881
774 2HB ARG 99 1HB ARG 99 -12.451 -0.310 2.553
775 1HG ARG 99 2HG ARG 99 -11.936 -2.582 2.848
776 2HG ARG 99 1HG ARG 99 -12.676 -2.625 4.448
777 1HD ARG 99 2HD ARG 99 -14.117 -3.747 2.893
778 2HD ARG 99 1HD ARG 99 -14.880 -2.238 3.388
779 HE ARG 99 HE ARG 99 -13.371 -1.963 0.974
780 1HH1 ARG 99 1HH1 ARG 99 -16.432 -3.061 2.276
781 2HH1 ARG 99 2HH1 ARG 99 -17.294 -2.821 0.785
782 1HH2 ARG 99 1HH2 ARG 99 -14.505 -1.637 -0.975
783 2HH2 ARG 99 2HH2 ARG 99 -16.208 -1.995 -1.048
784 H ILE 100 H ILE 100 -13.100 1.442 5.614
785 HA ILE 100 HA ILE 100 -12.380 3.836 4.340
786 HB ILE 100 HB ILE 100 -14.469 3.687 5.534
787 1HG1 ILE 100 2HG1 ILE 100 -14.413 5.774 6.824
788 2HG1 ILE 100 1HG1 ILE 100 -12.659 5.681 6.920
789 1HG2 ILE 100 1HG2 ILE 100 -14.581 3.575 7.971
790 2HG2 ILE 100 2HG2 ILE 100 -12.825 3.421 8.040
791 3HG2 ILE 100 3HG2 ILE 100 -13.791 2.154 7.286
792 1HD1 ILE 100 1HD1 ILE 100 -13.386 7.291 5.252
793 2HD1 ILE 100 2HD1 ILE 100 -14.262 6.022 4.396
794 3HD1 ILE 100 3HD1 ILE 100 -12.502 5.957 4.510
795 H ALA 101 H ALA 101 -11.004 2.204 7.121
796 HA ALA 101 HA ALA 101 -9.452 4.302 8.144
797 1HB ALA 101 1HB ALA 101 -9.764 2.171 9.324
798 2HB ALA 101 2HB ALA 101 -8.057 2.585 9.157
799 3HB ALA 101 3HB ALA 101 -8.775 1.363 8.108
800 H LEU 102 H LEU 102 -8.634 1.785 5.772
801 HA LEU 102 HA LEU 102 -6.091 2.722 5.081
802 1HB LEU 102 2HB LEU 102 -6.830 0.552 4.372
803 2HB LEU 102 1HB LEU 102 -8.168 1.237 3.472
804 HG LEU 102 HG LEU 102 -6.624 2.189 1.842
805 1HD1 LEU 102 1HD1 LEU 102 -4.235 1.631 1.926
806 2HD1 LEU 102 2HD1 LEU 102 -4.469 0.912 3.520
807 3HD1 LEU 102 3HD1 LEU 102 -4.728 2.641 3.285
808 1HD2 LEU 102 1HD2 LEU 102 -6.062 -0.722 2.389
809 2HD2 LEU 102 2HD2 LEU 102 -5.829 0.111 0.852
810 3HD2 LEU 102 3HD2 LEU 102 -7.453 -0.089 1.508
811 H GLU 103 H GLU 103 -9.263 3.532 3.775
812 HA GLU 103 HA GLU 103 -8.535 5.154 1.641
813 1HB GLU 103 2HB GLU 103 -10.860 4.269 2.629
814 2HB GLU 103 1HB GLU 103 -10.915 5.896 3.286
815 1HG GLU 103 2HG GLU 103 -10.437 5.380 0.369
816 2HG GLU 103 1HG GLU 103 -12.059 5.457 1.047
817 H ARG 104 H ARG 104 -9.386 6.182 4.957
818 HA ARG 104 HA ARG 104 -8.696 8.912 4.492
819 1HB ARG 104 2HB ARG 104 -9.032 9.198 6.888
820 2HB ARG 104 1HB ARG 104 -10.330 8.251 6.182
821 1HG ARG 104 2HG ARG 104 -9.322 6.213 7.045
822 2HG ARG 104 1HG ARG 104 -8.013 7.157 7.750
823 1HD ARG 104 2HD ARG 104 -10.936 7.262 8.467
824 2HD ARG 104 1HD ARG 104 -9.615 6.656 9.466
825 HE ARG 104 HE ARG 104 -10.227 9.465 8.874
826 1HH1 ARG 104 1HH1 ARG 104 -8.287 7.096 10.587
827 2HH1 ARG 104 2HH1 ARG 104 -7.589 8.261 11.664
828 1HH2 ARG 104 1HH2 ARG 104 -9.317 10.993 10.294
829 2HH2 ARG 104 2HH2 ARG 104 -8.149 10.488 11.479
830 H TYR 105 H TYR 105 -6.854 6.145 5.582
831 HA TYR 105 HA TYR 105 -4.706 7.700 6.624
832 1HB TYR 105 2HB TYR 105 -5.000 4.791 5.957
833 2HB TYR 105 1HB TYR 105 -3.443 5.469 6.402
834 HD1 TYR 105 HD1 TYR 105 -4.558 7.522 8.397
835 HD2 TYR 105 HD2 TYR 105 -5.258 3.359 7.862
836 HE1 TYR 105 HE1 TYR 105 -5.169 7.324 10.767
837 HE2 TYR 105 HE2 TYR 105 -5.870 3.153 10.233
838 HH TYR 105 HH TYR 105 -5.506 4.324 12.346
839 H LEU 106 H LEU 106 -5.294 6.111 3.485
840 HA LEU 106 HA LEU 106 -2.879 6.879 2.251
841 1HB LEU 106 2HB LEU 106 -5.656 6.661 1.066
842 2HB LEU 106 1HB LEU 106 -4.192 6.847 0.122
843 HG LEU 106 HG LEU 106 -4.834 4.489 1.895
844 1HD1 LEU 106 1HD1 LEU 106 -5.091 3.275 -0.220
845 2HD1 LEU 106 2HD1 LEU 106 -4.863 4.782 -1.108
846 3HD1 LEU 106 3HD1 LEU 106 -6.271 4.577 -0.065
847 1HD2 LEU 106 1HD2 LEU 106 -2.432 4.925 1.734
848 2HD2 LEU 106 2HD2 LEU 106 -2.551 4.958 -0.026
849 3HD2 LEU 106 3HD2 LEU 106 -2.874 3.461 0.853
850 H ASN 107 H ASN 107 -5.918 8.491 2.752
851 HA ASN 107 HA ASN 107 -5.616 10.880 1.412
852 1HB ASN 107 2HB ASN 107 -7.652 10.106 2.594
853 2HB ASN 107 1HB ASN 107 -6.861 10.404 4.128
854 1HD2 ASN 107 1HD2 ASN 107 -8.514 11.774 1.470
855 2HD2 ASN 107 2HD2 ASN 107 -8.613 13.382 2.084
856 H GLY 108 H GLY 108 -4.886 10.268 4.826
857 1HA GLY 108 2HA GLY 108 -3.662 12.814 5.211
858 2HA GLY 108 1HA GLY 108 -3.648 11.479 6.348
859 H LEU 109 H LEU 109 -2.389 9.722 4.241
860 HA LEU 109 HA LEU 109 0.299 10.257 5.059
861 1HB LEU 109 2HB LEU 109 -0.577 7.976 4.822
862 2HB LEU 109 1HB LEU 109 -0.764 8.225 3.098
863 HG LEU 109 HG LEU 109 1.690 8.489 2.886
864 1HD1 LEU 109 1HD1 LEU 109 1.695 7.754 5.812
865 2HD1 LEU 109 2HD1 LEU 109 2.201 9.295 5.114
866 3HD1 LEU 109 3HD1 LEU 109 3.118 7.827 4.773
867 1HD2 LEU 109 1HD2 LEU 109 0.671 6.318 2.494
868 2HD2 LEU 109 2HD2 LEU 109 0.775 5.940 4.215
869 3HD2 LEU 109 3HD2 LEU 109 2.248 6.131 3.262
870 H PHE 110 H PHE 110 -1.327 10.233 1.880
871 HA PHE 110 HA PHE 110 1.073 11.420 0.723
872 1HB PHE 110 2HB PHE 110 -1.375 10.159 -0.479
873 2HB PHE 110 1HB PHE 110 -0.248 11.094 -1.459
874 HD1 PHE 110 HD1 PHE 110 2.128 10.364 -1.620
875 HD2 PHE 110 HD2 PHE 110 -0.872 7.932 0.175
876 HE1 PHE 110 HE1 PHE 110 3.591 8.400 -1.838
877 HE2 PHE 110 HE2 PHE 110 0.594 5.964 -0.046
878 HZ PHE 110 HZ PHE 110 2.824 6.201 -1.053
879 H GLY 111 H GLY 111 -2.365 12.156 1.143
880 1HA GLY 111 2HA GLY 111 -3.407 14.193 1.349
881 2HA GLY 111 1HA GLY 111 -1.814 14.918 1.480
882 H ASP 112 H ASP 112 -3.857 13.405 -1.041
883 HA ASP 112 HA ASP 112 -3.156 15.617 -2.797
884 1HB ASP 112 2HB ASP 112 -3.255 14.015 -4.659
885 2HB ASP 112 1HB ASP 112 -2.038 13.549 -3.483
Start of MODEL 8
1 1H MET 1 1HT MET 1 -8.931 -9.728 12.045
2 2H MET 1 2HT MET 1 -9.899 -11.088 11.746
3 3H MET 1 3HT MET 1 -10.477 -9.537 11.372
4 HA MET 1 HA MET 1 -8.237 -10.963 10.068
5 1HB MET 1 2HB MET 1 -11.041 -10.261 9.246
6 2HB MET 1 1HB MET 1 -9.783 -10.473 8.035
7 1HG MET 1 2HG MET 1 -10.586 -12.535 10.072
8 2HG MET 1 1HG MET 1 -11.131 -12.491 8.395
9 1HE MET 1 1HE MET 1 -7.788 -13.094 6.439
10 2HE MET 1 2HE MET 1 -8.503 -11.541 6.868
11 3HE MET 1 3HE MET 1 -9.532 -12.860 6.307
12 H TYR 2 H TYR 2 -7.537 -9.828 8.091
13 HA TYR 2 HA TYR 2 -7.600 -6.913 8.398
14 1HB TYR 2 2HB TYR 2 -5.311 -8.692 7.553
15 2HB TYR 2 1HB TYR 2 -5.308 -6.950 7.327
16 HD1 TYR 2 HD1 TYR 2 -5.447 -9.610 9.914
17 HD2 TYR 2 HD2 TYR 2 -4.674 -5.514 9.073
18 HE1 TYR 2 HE1 TYR 2 -4.534 -9.323 12.177
19 HE2 TYR 2 HE2 TYR 2 -3.760 -5.213 11.334
20 HH TYR 2 HH TYR 2 -3.821 -6.217 13.497
21 H LEU 3 H LEU 3 -6.625 -6.034 6.115
22 HA LEU 3 HA LEU 3 -8.598 -6.890 4.184
23 1HB LEU 3 2HB LEU 3 -6.485 -4.739 4.036
24 2HB LEU 3 1HB LEU 3 -7.703 -5.030 2.810
25 HG LEU 3 HG LEU 3 -8.200 -4.119 5.643
26 1HD1 LEU 3 1HD1 LEU 3 -7.308 -2.375 4.215
27 2HD1 LEU 3 2HD1 LEU 3 -9.011 -2.074 4.564
28 3HD1 LEU 3 3HD1 LEU 3 -8.534 -2.719 2.994
29 1HD2 LEU 3 1HD2 LEU 3 -10.554 -3.930 4.955
30 2HD2 LEU 3 2HD2 LEU 3 -9.982 -5.598 4.931
31 3HD2 LEU 3 3HD2 LEU 3 -10.155 -4.702 3.420
32 H ARG 4 H ARG 4 -8.248 -8.037 2.379
33 HA ARG 4 HA ARG 4 -5.847 -9.535 2.068
34 1HB ARG 4 2HB ARG 4 -7.983 -9.109 -0.031
35 2HB ARG 4 1HB ARG 4 -6.880 -10.468 0.107
36 1HG ARG 4 2HG ARG 4 -8.016 -11.193 2.138
37 2HG ARG 4 1HG ARG 4 -9.109 -9.811 2.023
38 1HD ARG 4 2HD ARG 4 -8.850 -12.098 0.073
39 2HD ARG 4 1HD ARG 4 -10.212 -11.759 1.141
40 HE ARG 4 HE ARG 4 -10.181 -9.531 -0.282
41 1HH1 ARG 4 1HH1 ARG 4 -9.843 -12.857 -1.332
42 2HH1 ARG 4 2HH1 ARG 4 -10.507 -12.553 -2.915
43 1HH2 ARG 4 1HH2 ARG 4 -11.056 -9.132 -2.377
44 2HH2 ARG 4 2HH2 ARG 4 -11.172 -10.444 -3.507
45 HA PRO 5 HA PRO 5 -3.285 -6.875 -0.437
46 1HB PRO 5 2HB PRO 5 -2.583 -8.725 -2.413
47 2HB PRO 5 1HB PRO 5 -1.741 -8.508 -0.874
48 1HG PRO 5 2HG PRO 5 -3.814 -10.524 -1.629
49 2HG PRO 5 1HG PRO 5 -2.358 -10.723 -0.636
50 1HD PRO 5 2HD PRO 5 -4.760 -10.538 0.500
51 2HD PRO 5 1HD PRO 5 -3.350 -9.738 1.232
52 H ASP 6 H ASP 6 -5.587 -8.990 -2.076
53 HA ASP 6 HA ASP 6 -5.883 -7.590 -4.479
54 1HB ASP 6 2HB ASP 6 -6.750 -9.838 -4.209
55 2HB ASP 6 1HB ASP 6 -7.848 -9.300 -2.945
56 H GLU 7 H GLU 7 -7.560 -7.233 -1.380
57 HA GLU 7 HA GLU 7 -9.451 -5.336 -2.326
58 1HB GLU 7 2HB GLU 7 -8.588 -6.222 0.407
59 2HB GLU 7 1HB GLU 7 -9.694 -4.869 0.209
60 1HG GLU 7 2HG GLU 7 -10.129 -7.680 -0.770
61 2HG GLU 7 1HG GLU 7 -10.906 -6.926 0.622
62 H VAL 8 H VAL 8 -6.342 -5.067 -0.676
63 HA VAL 8 HA VAL 8 -6.318 -2.325 -0.191
64 HB VAL 8 HB VAL 8 -3.967 -4.055 -0.999
65 1HG1 VAL 8 1HG1 VAL 8 -3.434 -1.691 -1.168
66 2HG1 VAL 8 2HG1 VAL 8 -2.611 -2.406 0.218
67 3HG1 VAL 8 3HG1 VAL 8 -4.050 -1.415 0.462
68 1HG2 VAL 8 1HG2 VAL 8 -5.062 -3.409 1.736
69 2HG2 VAL 8 2HG2 VAL 8 -3.587 -4.318 1.403
70 3HG2 VAL 8 3HG2 VAL 8 -5.152 -4.971 0.920
71 H ALA 9 H ALA 9 -5.411 -4.142 -3.078
72 HA ALA 9 HA ALA 9 -4.562 -2.012 -4.682
73 1HB ALA 9 1HB ALA 9 -4.183 -4.364 -5.238
74 2HB ALA 9 2HB ALA 9 -4.964 -3.507 -6.567
75 3HB ALA 9 3HB ALA 9 -5.908 -4.575 -5.528
76 H ARG 10 H ARG 10 -7.787 -3.442 -4.274
77 HA ARG 10 HA ARG 10 -9.119 -1.907 -6.204
78 1HB ARG 10 2HB ARG 10 -10.135 -3.209 -3.679
79 2HB ARG 10 1HB ARG 10 -11.186 -2.449 -4.866
80 1HG ARG 10 2HG ARG 10 -9.353 -4.786 -5.368
81 2HG ARG 10 1HG ARG 10 -11.107 -4.860 -5.166
82 1HD ARG 10 2HD ARG 10 -11.378 -3.434 -7.152
83 2HD ARG 10 1HD ARG 10 -9.627 -3.405 -7.363
84 HE ARG 10 HE ARG 10 -10.417 -6.076 -7.285
85 1HH1 ARG 10 1HH1 ARG 10 -10.875 -3.277 -9.356
86 2HH1 ARG 10 2HH1 ARG 10 -11.084 -4.238 -10.794
87 1HH2 ARG 10 1HH2 ARG 10 -10.689 -7.312 -9.164
88 2HH2 ARG 10 2HH2 ARG 10 -10.988 -6.518 -10.684
89 H VAL 11 H VAL 11 -8.500 -1.260 -2.778
90 HA VAL 11 HA VAL 11 -10.034 1.113 -2.619
91 HB VAL 11 HB VAL 11 -7.594 0.346 -1.000
92 1HG1 VAL 11 1HG1 VAL 11 -8.480 1.898 0.681
93 2HG1 VAL 11 2HG1 VAL 11 -9.769 2.360 -0.431
94 3HG1 VAL 11 3HG1 VAL 11 -8.089 2.729 -0.826
95 1HG2 VAL 11 1HG2 VAL 11 -9.336 -1.339 -0.840
96 2HG2 VAL 11 2HG2 VAL 11 -10.531 -0.096 -0.472
97 3HG2 VAL 11 3HG2 VAL 11 -9.230 -0.431 0.670
98 H LEU 12 H LEU 12 -6.634 0.493 -3.360
99 HA LEU 12 HA LEU 12 -5.822 3.151 -3.721
100 1HB LEU 12 2HB LEU 12 -4.830 0.612 -5.009
101 2HB LEU 12 1HB LEU 12 -4.015 2.160 -5.127
102 HG LEU 12 HG LEU 12 -4.539 0.708 -2.532
103 1HD1 LEU 12 1HD1 LEU 12 -2.974 -0.541 -3.908
104 2HD1 LEU 12 2HD1 LEU 12 -2.149 0.210 -2.544
105 3HD1 LEU 12 3HD1 LEU 12 -2.010 0.914 -4.156
106 1HD2 LEU 12 1HD2 LEU 12 -2.842 3.121 -3.170
107 2HD2 LEU 12 2HD2 LEU 12 -2.957 2.326 -1.599
108 3HD2 LEU 12 3HD2 LEU 12 -4.368 3.130 -2.286
109 H GLU 13 H GLU 13 -7.334 0.861 -5.955
110 HA GLU 13 HA GLU 13 -7.195 2.327 -8.312
111 1HB GLU 13 2HB GLU 13 -9.246 0.403 -7.245
112 2HB GLU 13 1HB GLU 13 -9.396 1.128 -8.835
113 1HG GLU 13 2HG GLU 13 -7.075 -0.540 -7.900
114 2HG GLU 13 1HG GLU 13 -8.408 -1.111 -8.904
115 H LYS 14 H LYS 14 -9.554 2.494 -5.674
116 HA LYS 14 HA LYS 14 -11.278 4.405 -6.855
117 1HB LYS 14 2HB LYS 14 -11.696 2.971 -4.788
118 2HB LYS 14 1HB LYS 14 -10.732 4.136 -3.904
119 1HG LYS 14 2HG LYS 14 -12.318 5.914 -4.692
120 2HG LYS 14 1HG LYS 14 -13.346 4.618 -5.306
121 1HD LYS 14 2HD LYS 14 -14.135 5.269 -3.129
122 2HD LYS 14 1HD LYS 14 -13.417 3.662 -3.014
123 1HE LYS 14 2HE LYS 14 -12.706 4.980 -1.127
124 2HE LYS 14 1HE LYS 14 -11.329 4.692 -2.187
125 1HZ LYS 14 1HZ LYS 14 -11.650 6.928 -3.104
126 2HZ LYS 14 2HZ LYS 14 -11.352 6.975 -1.440
127 3HZ LYS 14 3HZ LYS 14 -12.926 7.196 -2.027
128 H ALA 15 H ALA 15 -8.499 4.635 -4.749
129 HA ALA 15 HA ALA 15 -8.563 7.431 -4.327
130 1HB ALA 15 1HB ALA 15 -7.369 5.894 -2.860
131 2HB ALA 15 2HB ALA 15 -6.303 7.166 -3.457
132 3HB ALA 15 3HB ALA 15 -6.217 5.547 -4.151
133 H GLY 16 H GLY 16 -7.782 5.707 -7.123
134 1HA GLY 16 2HA GLY 16 -7.386 6.766 -9.193
135 2HA GLY 16 1HA GLY 16 -6.795 8.177 -8.328
136 H PHE 17 H PHE 17 -5.718 4.936 -7.616
137 HA PHE 17 HA PHE 17 -3.010 5.697 -8.354
138 1HB PHE 17 2HB PHE 17 -4.215 3.443 -6.792
139 2HB PHE 17 1HB PHE 17 -2.581 3.309 -7.421
140 HD1 PHE 17 HD1 PHE 17 -4.720 5.586 -5.395
141 HD2 PHE 17 HD2 PHE 17 -0.812 4.077 -6.152
142 HE1 PHE 17 HE1 PHE 17 -3.876 6.799 -3.429
143 HE2 PHE 17 HE2 PHE 17 0.039 5.289 -4.187
144 HZ PHE 17 HZ PHE 17 -1.495 6.651 -2.824
145 H THR 18 H THR 18 -1.664 3.856 -9.348
146 HA THR 18 HA THR 18 -3.147 2.406 -11.419
147 HB THR 18 HB THR 18 -1.298 3.091 -13.054
148 HG1 THR 18 HG1 THR 18 -0.645 4.611 -10.847
149 1HG2 THR 18 1HG2 THR 18 -3.257 5.181 -12.097
150 2HG2 THR 18 2HG2 THR 18 -3.563 3.926 -13.300
151 3HG2 THR 18 3HG2 THR 18 -2.411 5.217 -13.645
152 H VAL 19 H VAL 19 -2.173 0.473 -12.052
153 HA VAL 19 HA VAL 19 -0.084 -0.522 -10.326
154 HB VAL 19 HB VAL 19 -2.010 -1.940 -11.193
155 1HG1 VAL 19 1HG1 VAL 19 -1.799 -2.975 -13.369
156 2HG1 VAL 19 2HG1 VAL 19 -0.347 -2.030 -13.701
157 3HG1 VAL 19 3HG1 VAL 19 -1.909 -1.222 -13.537
158 1HG2 VAL 19 1HG2 VAL 19 -0.096 -2.951 -10.106
159 2HG2 VAL 19 2HG2 VAL 19 0.790 -2.967 -11.631
160 3HG2 VAL 19 3HG2 VAL 19 -0.651 -3.967 -11.437
161 H ASP 20 H ASP 20 2.061 -0.700 -10.800
162 HA ASP 20 HA ASP 20 2.859 0.051 -13.531
163 1HB ASP 20 2HB ASP 20 5.050 0.708 -12.596
164 2HB ASP 20 1HB ASP 20 3.723 1.669 -11.961
165 H VAL 21 H VAL 21 3.629 -2.108 -10.832
166 HA VAL 21 HA VAL 21 4.644 -3.975 -12.846
167 HB VAL 21 HB VAL 21 6.560 -2.919 -11.784
168 1HG1 VAL 21 1HG1 VAL 21 5.553 -2.321 -9.643
169 2HG1 VAL 21 2HG1 VAL 21 7.065 -3.203 -9.422
170 3HG1 VAL 21 3HG1 VAL 21 5.521 -4.022 -9.180
171 1HG2 VAL 21 1HG2 VAL 21 6.168 -5.789 -10.989
172 2HG2 VAL 21 2HG2 VAL 21 7.718 -4.948 -11.011
173 3HG2 VAL 21 3HG2 VAL 21 6.820 -5.182 -12.511
174 H VAL 22 H VAL 22 3.127 -5.468 -12.881
175 HA VAL 22 HA VAL 22 2.089 -6.538 -10.364
176 HB VAL 22 HB VAL 22 0.339 -5.951 -11.889
177 1HG1 VAL 22 1HG1 VAL 22 1.719 -7.684 -13.935
178 2HG1 VAL 22 2HG1 VAL 22 1.595 -5.926 -13.969
179 3HG1 VAL 22 3HG1 VAL 22 0.144 -6.916 -14.137
180 1HG2 VAL 22 1HG2 VAL 22 -0.027 -7.998 -10.627
181 2HG2 VAL 22 2HG2 VAL 22 0.716 -8.944 -11.918
182 3HG2 VAL 22 3HG2 VAL 22 -0.801 -8.093 -12.210
183 H THR 23 H THR 23 2.904 -8.355 -9.567
184 HA THR 23 HA THR 23 3.999 -10.359 -11.422
185 HB THR 23 HB THR 23 5.872 -10.829 -9.971
186 HG1 THR 23 HG1 THR 23 5.214 -8.575 -8.371
187 1HG2 THR 23 1HG2 THR 23 6.230 -9.109 -11.666
188 2HG2 THR 23 2HG2 THR 23 7.181 -8.772 -10.220
189 3HG2 THR 23 3HG2 THR 23 5.700 -7.867 -10.532
190 H ASN 24 H ASN 24 4.290 -12.487 -10.291
191 HA ASN 24 HA ASN 24 1.901 -13.273 -9.001
192 1HB ASN 24 2HB ASN 24 2.948 -15.468 -8.804
193 2HB ASN 24 1HB ASN 24 3.243 -14.795 -10.402
194 1HD2 ASN 24 1HD2 ASN 24 4.695 -16.835 -8.846
195 2HD2 ASN 24 2HD2 ASN 24 6.332 -16.273 -8.753
196 H LYS 25 H LYS 25 4.372 -11.524 -7.748
197 HA LYS 25 HA LYS 25 3.970 -12.631 -5.053
198 1HB LYS 25 2HB LYS 25 6.487 -11.351 -6.126
199 2HB LYS 25 1HB LYS 25 6.260 -11.988 -4.504
200 1HG LYS 25 2HG LYS 25 5.984 -14.232 -5.409
201 2HG LYS 25 1HG LYS 25 6.182 -13.604 -7.045
202 1HD LYS 25 2HD LYS 25 8.282 -14.488 -6.468
203 2HD LYS 25 1HD LYS 25 8.452 -12.745 -6.267
204 1HE LYS 25 2HE LYS 25 7.781 -14.607 -4.007
205 2HE LYS 25 1HE LYS 25 9.436 -14.182 -4.431
206 1HZ LYS 25 1HZ LYS 25 8.492 -12.821 -2.617
207 2HZ LYS 25 2HZ LYS 25 7.339 -12.221 -3.687
208 3HZ LYS 25 3HZ LYS 25 8.978 -11.891 -3.952
209 H THR 26 H THR 26 3.711 -9.864 -7.068
210 HA THR 26 HA THR 26 3.189 -8.188 -4.727
211 HB THR 26 HB THR 26 4.549 -6.325 -5.512
212 HG1 THR 26 HG1 THR 26 5.121 -6.375 -7.547
213 1HG2 THR 26 1HG2 THR 26 6.750 -7.215 -5.039
214 2HG2 THR 26 2HG2 THR 26 6.151 -8.851 -5.293
215 3HG2 THR 26 3HG2 THR 26 5.543 -7.889 -3.948
216 H TYR 27 H TYR 27 2.087 -6.235 -5.180
217 HA TYR 27 HA TYR 27 1.277 -5.907 -7.960
218 1HB TYR 27 2HB TYR 27 -0.417 -5.631 -5.495
219 2HB TYR 27 1HB TYR 27 -0.818 -4.735 -6.951
220 HD1 TYR 27 HD1 TYR 27 -1.346 -7.712 -5.167
221 HD2 TYR 27 HD2 TYR 27 -1.001 -6.199 -9.127
222 HE1 TYR 27 HE1 TYR 27 -2.620 -9.640 -6.007
223 HE2 TYR 27 HE2 TYR 27 -2.270 -8.123 -9.980
224 HH TYR 27 HH TYR 27 -4.099 -10.111 -8.053
225 H GLY 28 H GLY 28 2.706 -4.345 -8.519
226 1HA GLY 28 2HA GLY 28 3.466 -2.178 -6.866
227 2HA GLY 28 1HA GLY 28 3.687 -2.275 -8.608
228 H TYR 29 H TYR 29 2.595 -0.199 -6.554
229 HA TYR 29 HA TYR 29 0.305 0.587 -8.166
230 1HB TYR 29 2HB TYR 29 0.153 -0.595 -5.520
231 2HB TYR 29 1HB TYR 29 -0.594 0.995 -5.557
232 HD1 TYR 29 HD1 TYR 29 -2.593 1.388 -6.872
233 HD2 TYR 29 HD2 TYR 29 -0.717 -2.429 -6.868
234 HE1 TYR 29 HE1 TYR 29 -4.586 0.411 -7.925
235 HE2 TYR 29 HE2 TYR 29 -2.706 -3.417 -7.916
236 HH TYR 29 HH TYR 29 -5.304 -1.439 -9.134
237 H ARG 30 H ARG 30 0.996 2.531 -8.805
238 HA ARG 30 HA ARG 30 2.011 4.338 -6.713
239 1HB ARG 30 2HB ARG 30 3.612 5.256 -8.274
240 2HB ARG 30 1HB ARG 30 3.842 3.519 -8.138
241 1HG ARG 30 2HG ARG 30 2.588 3.228 -10.248
242 2HG ARG 30 1HG ARG 30 2.493 4.987 -10.394
243 1HD ARG 30 2HD ARG 30 5.020 4.985 -10.209
244 2HD ARG 30 1HD ARG 30 4.939 3.240 -10.437
245 HE ARG 30 HE ARG 30 3.639 4.898 -12.444
246 1HH1 ARG 30 1HH1 ARG 30 6.355 2.906 -11.519
247 2HH1 ARG 30 2HH1 ARG 30 7.002 2.813 -13.130
248 1HH2 ARG 30 1HH2 ARG 30 4.477 4.791 -14.563
249 2HH2 ARG 30 2HH2 ARG 30 5.964 3.927 -14.856
250 H ARG 31 H ARG 31 1.720 6.568 -7.074
251 HA ARG 31 HA ARG 31 -0.114 7.364 -9.206
252 1HB ARG 31 2HB ARG 31 -1.440 6.884 -7.114
253 2HB ARG 31 1HB ARG 31 -0.540 8.171 -6.322
254 1HG ARG 31 2HG ARG 31 -1.413 9.777 -7.937
255 2HG ARG 31 1HG ARG 31 -2.318 8.487 -8.730
256 1HD ARG 31 2HD ARG 31 -3.799 9.684 -7.263
257 2HD ARG 31 1HD ARG 31 -3.511 8.076 -6.596
258 HE ARG 31 HE ARG 31 -1.645 9.831 -5.485
259 1HH1 ARG 31 1HH1 ARG 31 -5.093 9.213 -5.403
260 2HH1 ARG 31 2HH1 ARG 31 -5.308 9.928 -3.832
261 1HH2 ARG 31 1HH2 ARG 31 -1.934 10.759 -3.410
262 2HH2 ARG 31 2HH2 ARG 31 -3.525 10.834 -2.726
263 H GLY 32 H GLY 32 0.961 8.913 -10.255
264 1HA GLY 32 2HA GLY 32 2.451 10.627 -10.661
265 2HA GLY 32 1HA GLY 32 2.275 11.090 -8.970
266 H GLU 33 H GLU 33 4.232 11.181 -8.053
267 HA GLU 33 HA GLU 33 6.151 9.046 -8.698
268 1HB GLU 33 2HB GLU 33 6.743 11.556 -8.861
269 2HB GLU 33 1HB GLU 33 6.785 11.517 -7.103
270 1HG GLU 33 2HG GLU 33 8.510 9.810 -7.164
271 2HG GLU 33 1HG GLU 33 8.448 9.794 -8.925
272 H ASN 34 H ASN 34 3.738 9.193 -6.771
273 HA ASN 34 HA ASN 34 5.037 8.549 -4.242
274 1HB ASN 34 2HB ASN 34 2.094 8.532 -4.970
275 2HB ASN 34 1HB ASN 34 2.754 8.323 -3.353
276 1HD2 ASN 34 1HD2 ASN 34 2.028 10.554 -5.888
277 2HD2 ASN 34 2HD2 ASN 34 2.316 12.008 -4.984
278 H TYR 35 H TYR 35 5.907 6.594 -4.150
279 HA TYR 35 HA TYR 35 4.707 4.428 -5.711
280 1HB TYR 35 2HB TYR 35 7.456 4.674 -4.480
281 2HB TYR 35 1HB TYR 35 6.886 3.286 -5.395
282 HD1 TYR 35 HD1 TYR 35 5.998 3.865 -7.821
283 HD2 TYR 35 HD2 TYR 35 8.673 6.295 -5.578
284 HE1 TYR 35 HE1 TYR 35 6.801 4.893 -9.905
285 HE2 TYR 35 HE2 TYR 35 9.477 7.336 -7.656
286 HH TYR 35 HH TYR 35 9.608 6.717 -10.094
287 H VAL 36 H VAL 36 3.296 3.231 -4.570
288 HA VAL 36 HA VAL 36 4.402 2.020 -2.128
289 HB VAL 36 HB VAL 36 2.237 1.674 -1.188
290 1HG1 VAL 36 1HG1 VAL 36 2.444 4.498 -2.197
291 2HG1 VAL 36 2HG1 VAL 36 3.185 3.842 -0.738
292 3HG1 VAL 36 3HG1 VAL 36 1.429 3.963 -0.858
293 1HG2 VAL 36 1HG2 VAL 36 1.077 2.874 -3.698
294 2HG2 VAL 36 2HG2 VAL 36 0.161 2.442 -2.252
295 3HG2 VAL 36 3HG2 VAL 36 0.967 1.186 -3.193
296 H TYR 37 H TYR 37 3.662 -0.274 -1.849
297 HA TYR 37 HA TYR 37 3.082 -1.547 -4.413
298 1HB TYR 37 2HB TYR 37 5.638 -1.914 -2.856
299 2HB TYR 37 1HB TYR 37 5.072 -3.092 -4.037
300 HD1 TYR 37 HD1 TYR 37 5.044 -2.559 -6.405
301 HD2 TYR 37 HD2 TYR 37 6.496 0.256 -3.573
302 HE1 TYR 37 HE1 TYR 37 6.032 -1.246 -8.226
303 HE2 TYR 37 HE2 TYR 37 7.494 1.579 -5.393
304 HH TYR 37 HH TYR 37 6.752 0.982 -8.706
305 H VAL 38 H VAL 38 1.483 -2.862 -4.022
306 HA VAL 38 HA VAL 38 0.830 -3.770 -1.396
307 HB VAL 38 HB VAL 38 -0.338 -4.621 -4.048
308 1HG1 VAL 38 1HG1 VAL 38 -0.838 -6.211 -2.285
309 2HG1 VAL 38 2HG1 VAL 38 -2.285 -5.306 -2.734
310 3HG1 VAL 38 3HG1 VAL 38 -1.416 -4.903 -1.254
311 1HG2 VAL 38 1HG2 VAL 38 -2.131 -3.022 -3.534
312 2HG2 VAL 38 2HG2 VAL 38 -0.567 -2.235 -3.745
313 3HG2 VAL 38 3HG2 VAL 38 -1.219 -2.479 -2.126
314 H ASN 39 H ASN 39 1.359 -5.589 -0.414
315 HA ASN 39 HA ASN 39 3.220 -7.380 -1.731
316 1HB ASN 39 2HB ASN 39 3.450 -6.493 0.661
317 2HB ASN 39 1HB ASN 39 2.170 -7.620 1.086
318 1HD2 ASN 39 1HD2 ASN 39 4.716 -8.157 -1.279
319 2HD2 ASN 39 2HD2 ASN 39 5.490 -9.455 -0.427
320 H ARG 40 H ARG 40 2.422 -8.973 -2.937
321 HA ARG 40 HA ARG 40 -0.234 -10.013 -2.520
322 1HB ARG 40 2HB ARG 40 0.705 -9.701 -4.772
323 2HB ARG 40 1HB ARG 40 1.969 -10.861 -4.411
324 1HG ARG 40 2HG ARG 40 0.326 -12.641 -4.259
325 2HG ARG 40 1HG ARG 40 -0.974 -11.483 -4.554
326 1HD ARG 40 2HD ARG 40 -0.099 -10.994 -6.746
327 2HD ARG 40 1HD ARG 40 1.309 -12.009 -6.451
328 HE ARG 40 HE ARG 40 -0.528 -13.841 -6.211
329 1HH1 ARG 40 1HH1 ARG 40 -0.418 -11.205 -8.506
330 2HH1 ARG 40 2HH1 ARG 40 -1.366 -12.030 -9.705
331 1HH2 ARG 40 1HH2 ARG 40 -1.702 -14.966 -7.799
332 2HH2 ARG 40 2HH2 ARG 40 -2.095 -14.183 -9.298
333 H GLU 41 H GLU 41 2.666 -10.527 -1.077
334 HA GLU 41 HA GLU 41 2.433 -13.385 -0.640
335 1HB GLU 41 2HB GLU 41 4.295 -11.456 0.742
336 2HB GLU 41 1HB GLU 41 4.483 -13.193 0.568
337 1HG GLU 41 2HG GLU 41 4.930 -12.980 -1.771
338 2HG GLU 41 1HG GLU 41 4.538 -11.261 -1.736
339 H ALA 42 H ALA 42 0.638 -10.967 0.440
340 HA ALA 42 HA ALA 42 0.914 -11.147 3.275
341 1HB ALA 42 1HB ALA 42 0.032 -9.143 2.182
342 2HB ALA 42 2HB ALA 42 -1.095 -9.785 3.375
343 3HB ALA 42 3HB ALA 42 -1.385 -10.053 1.657
344 H ARG 43 H ARG 43 0.778 -13.330 3.792
345 HA ARG 43 HA ARG 43 -1.435 -14.991 3.186
346 1HB ARG 43 2HB ARG 43 0.318 -15.201 5.638
347 2HB ARG 43 1HB ARG 43 -0.563 -16.494 4.840
348 1HG ARG 43 2HG ARG 43 1.738 -15.001 3.603
349 2HG ARG 43 1HG ARG 43 1.889 -16.530 4.465
350 1HD ARG 43 2HD ARG 43 0.381 -17.582 2.835
351 2HD ARG 43 1HD ARG 43 0.269 -16.048 1.968
352 HE ARG 43 HE ARG 43 2.913 -16.449 1.994
353 1HH1 ARG 43 1HH1 ARG 43 0.283 -18.647 1.226
354 2HH1 ARG 43 2HH1 ARG 43 1.222 -19.566 0.083
355 1HH2 ARG 43 1HH2 ARG 43 4.145 -17.658 0.492
356 2HH2 ARG 43 2HH2 ARG 43 3.409 -18.989 -0.351
357 H MET 44 H MET 44 -0.704 -12.736 5.750
358 HA MET 44 HA MET 44 -3.094 -13.452 7.258
359 1HB MET 44 2HB MET 44 -0.948 -11.411 7.867
360 2HB MET 44 1HB MET 44 -2.217 -11.928 8.965
361 1HG MET 44 2HG MET 44 -1.271 -14.119 9.123
362 2HG MET 44 1HG MET 44 -0.098 -13.751 7.858
363 1HE MET 44 1HE MET 44 1.891 -14.579 9.376
364 2HE MET 44 2HE MET 44 0.759 -14.982 10.667
365 3HE MET 44 3HE MET 44 2.184 -14.003 11.017
366 H GLY 45 H GLY 45 -2.038 -11.088 4.991
367 1HA GLY 45 2HA GLY 45 -3.207 -9.290 4.093
368 2HA GLY 45 1HA GLY 45 -4.443 -9.510 5.327
369 H ARG 46 H ARG 46 -1.963 -9.586 7.236
370 HA ARG 46 HA ARG 46 -2.281 -6.904 8.127
371 1HB ARG 46 2HB ARG 46 -1.870 -8.842 9.641
372 2HB ARG 46 1HB ARG 46 -0.230 -8.945 9.014
373 1HG ARG 46 2HG ARG 46 0.051 -6.539 9.779
374 2HG ARG 46 1HG ARG 46 -1.456 -6.761 10.668
375 1HD ARG 46 2HD ARG 46 1.051 -8.408 10.985
376 2HD ARG 46 1HD ARG 46 0.505 -7.143 12.081
377 HE ARG 46 HE ARG 46 -1.273 -9.419 11.629
378 1HH1 ARG 46 1HH1 ARG 46 0.944 -7.708 13.729
379 2HH1 ARG 46 2HH1 ARG 46 0.497 -8.606 15.143
380 1HH2 ARG 46 1HH2 ARG 46 -1.849 -10.615 13.483
381 2HH2 ARG 46 2HH2 ARG 46 -1.085 -10.259 15.012
382 H THR 47 H THR 47 -0.010 -8.481 6.057
383 HA THR 47 HA THR 47 1.794 -6.157 6.182
384 HB THR 47 HB THR 47 3.466 -7.731 5.121
385 HG1 THR 47 HG1 THR 47 2.612 -9.544 4.447
386 1HG2 THR 47 1HG2 THR 47 2.377 -8.468 7.840
387 2HG2 THR 47 2HG2 THR 47 3.577 -7.220 7.496
388 3HG2 THR 47 3HG2 THR 47 3.968 -8.920 7.226
389 H ALA 48 H ALA 48 -0.675 -6.323 4.592
390 HA ALA 48 HA ALA 48 0.005 -7.074 1.918
391 1HB ALA 48 1HB ALA 48 -2.223 -6.365 1.335
392 2HB ALA 48 2HB ALA 48 -2.401 -5.550 2.890
393 3HB ALA 48 3HB ALA 48 -2.266 -7.307 2.825
394 H LEU 49 H LEU 49 0.119 -4.071 3.698
395 HA LEU 49 HA LEU 49 0.378 -2.603 1.160
396 1HB LEU 49 2HB LEU 49 -1.401 -1.813 2.642
397 2HB LEU 49 1HB LEU 49 -0.233 -1.569 3.927
398 HG LEU 49 HG LEU 49 0.897 0.148 2.533
399 1HD1 LEU 49 1HD1 LEU 49 0.244 -0.634 0.338
400 2HD1 LEU 49 2HD1 LEU 49 -0.288 1.031 0.576
401 3HD1 LEU 49 3HD1 LEU 49 -1.449 -0.290 0.694
402 1HD2 LEU 49 1HD2 LEU 49 -0.739 0.802 4.213
403 2HD2 LEU 49 2HD2 LEU 49 -2.038 0.620 3.034
404 3HD2 LEU 49 3HD2 LEU 49 -0.815 1.869 2.811
405 H ILE 50 H ILE 50 2.490 -2.619 0.591
406 HA ILE 50 HA ILE 50 4.441 -1.776 2.627
407 HB ILE 50 HB ILE 50 5.115 -2.701 -0.165
408 1HG1 ILE 50 2HG1 ILE 50 3.883 -4.520 0.929
409 2HG1 ILE 50 1HG1 ILE 50 5.585 -4.927 0.767
410 1HG2 ILE 50 1HG2 ILE 50 6.858 -1.478 0.966
411 2HG2 ILE 50 2HG2 ILE 50 7.305 -3.184 0.885
412 3HG2 ILE 50 3HG2 ILE 50 6.697 -2.500 2.395
413 1HD1 ILE 50 1HD1 ILE 50 4.219 -3.978 3.271
414 2HD1 ILE 50 2HD1 ILE 50 5.934 -4.358 3.121
415 3HD1 ILE 50 3HD1 ILE 50 4.727 -5.628 2.913
416 H ILE 51 H ILE 51 5.518 0.152 2.422
417 HA ILE 51 HA ILE 51 4.831 1.805 0.074
418 HB ILE 51 HB ILE 51 4.862 3.785 1.417
419 1HG1 ILE 51 2HG1 ILE 51 5.427 2.068 3.839
420 2HG1 ILE 51 1HG1 ILE 51 6.675 2.959 2.972
421 1HG2 ILE 51 1HG2 ILE 51 2.970 3.368 2.949
422 2HG2 ILE 51 2HG2 ILE 51 3.215 1.634 2.746
423 3HG2 ILE 51 3HG2 ILE 51 2.743 2.626 1.366
424 1HD1 ILE 51 1HD1 ILE 51 4.287 4.154 4.355
425 2HD1 ILE 51 2HD1 ILE 51 5.525 5.051 3.477
426 3HD1 ILE 51 3HD1 ILE 51 5.949 4.166 4.941
427 H HIS 52 H HIS 52 6.437 3.508 -0.384
428 HA HIS 52 HA HIS 52 9.111 2.608 -0.436
429 1HB HIS 52 2HB HIS 52 8.220 4.228 -2.061
430 2HB HIS 52 1HB HIS 52 7.972 5.404 -0.777
431 HD1 HIS 52 HD1 HIS 52 10.130 6.524 0.221
432 HD2 HIS 52 HD2 HIS 52 10.790 4.101 -3.089
433 HE1 HIS 52 HE1 HIS 52 12.445 7.083 -0.556
434 HE2 HIS 52 HE2 HIS 52 12.735 5.769 -2.705
435 HA PRO 53 HA PRO 53 10.539 3.764 3.680
436 1HB PRO 53 2HB PRO 53 13.125 4.292 2.356
437 2HB PRO 53 1HB PRO 53 12.742 3.186 3.673
438 1HG PRO 53 2HG PRO 53 13.286 2.330 1.175
439 2HG PRO 53 1HG PRO 53 12.170 1.482 2.252
440 1HD PRO 53 2HD PRO 53 11.597 3.212 -0.095
441 2HD PRO 53 1HD PRO 53 10.707 1.804 0.517
442 H ARG 54 H ARG 54 12.386 5.639 4.320
443 HA ARG 54 HA ARG 54 12.942 7.849 4.395
444 1HB ARG 54 2HB ARG 54 13.317 7.842 2.013
445 2HB ARG 54 1HB ARG 54 11.596 7.941 1.690
446 1HG ARG 54 2HG ARG 54 12.870 10.139 3.229
447 2HG ARG 54 1HG ARG 54 13.167 10.035 1.493
448 1HD ARG 54 2HD ARG 54 10.721 9.988 1.126
449 2HD ARG 54 1HD ARG 54 10.485 10.217 2.856
450 HE ARG 54 HE ARG 54 12.057 12.191 1.358
451 1HH1 ARG 54 1HH1 ARG 54 9.156 11.357 3.119
452 2HH1 ARG 54 2HH1 ARG 54 8.603 12.997 3.263
453 1HH2 ARG 54 1HH2 ARG 54 11.342 14.360 1.539
454 2HH2 ARG 54 2HH2 ARG 54 9.852 14.705 2.369
455 H LEU 55 H LEU 55 9.658 7.081 3.460
456 HA LEU 55 HA LEU 55 8.582 9.384 4.879
457 1HB LEU 55 2HB LEU 55 7.545 7.364 2.955
458 2HB LEU 55 1HB LEU 55 6.401 8.127 4.042
459 HG LEU 55 HG LEU 55 8.255 9.802 2.392
460 1HD1 LEU 55 1HD1 LEU 55 5.600 8.669 1.516
461 2HD1 LEU 55 2HD1 LEU 55 7.176 8.286 0.823
462 3HD1 LEU 55 3HD1 LEU 55 6.519 9.914 0.669
463 1HD2 LEU 55 1HD2 LEU 55 7.042 10.905 4.152
464 2HD2 LEU 55 2HD2 LEU 55 5.526 10.188 3.610
465 3HD2 LEU 55 3HD2 LEU 55 6.352 11.377 2.597
466 H LYS 56 H LYS 56 9.838 6.828 6.100
467 HA LYS 56 HA LYS 56 7.823 5.302 7.308
468 1HB LYS 56 2HB LYS 56 10.254 4.694 7.182
469 2HB LYS 56 1HB LYS 56 10.556 5.856 8.467
470 1HG LYS 56 2HG LYS 56 9.097 4.604 9.961
471 2HG LYS 56 1HG LYS 56 8.770 3.441 8.676
472 1HD LYS 56 2HD LYS 56 11.208 2.935 8.602
473 2HD LYS 56 1HD LYS 56 11.423 3.991 10.000
474 1HE LYS 56 2HE LYS 56 9.917 2.582 11.307
475 2HE LYS 56 1HE LYS 56 9.678 1.530 9.913
476 1HZ LYS 56 1HZ LYS 56 12.210 1.964 11.393
477 2HZ LYS 56 2HZ LYS 56 12.092 1.065 9.967
478 3HZ LYS 56 3HZ LYS 56 11.282 0.548 11.364
479 H ASP 57 H ASP 57 9.589 8.131 8.526
480 HA ASP 57 HA ASP 57 8.450 8.221 11.080
481 1HB ASP 57 2HB ASP 57 10.431 9.535 10.403
482 2HB ASP 57 1HB ASP 57 9.402 10.549 9.396
483 H ARG 58 H ARG 58 7.479 9.857 8.103
484 HA ARG 58 HA ARG 58 5.232 11.214 9.093
485 1HB ARG 58 2HB ARG 58 6.156 11.852 6.991
486 2HB ARG 58 1HB ARG 58 6.007 10.227 6.351
487 1HG ARG 58 2HG ARG 58 4.311 11.377 5.286
488 2HG ARG 58 1HG ARG 58 3.476 10.571 6.611
489 1HD ARG 58 2HD ARG 58 3.509 12.629 7.907
490 2HD ARG 58 1HD ARG 58 4.408 13.441 6.622
491 HE ARG 58 HE ARG 58 1.603 12.558 6.487
492 1HH1 ARG 58 1HH1 ARG 58 4.243 14.491 5.233
493 2HH1 ARG 58 2HH1 ARG 58 3.265 15.295 4.041
494 1HH2 ARG 58 1HH2 ARG 58 0.312 13.580 4.886
495 2HH2 ARG 58 2HH2 ARG 58 1.034 14.750 3.814
496 H SER 59 H SER 59 5.436 8.140 7.317
497 HA SER 59 HA SER 59 2.695 7.618 7.274
498 1HB SER 59 2HB SER 59 4.111 6.518 5.716
499 2HB SER 59 1HB SER 59 5.095 5.813 6.994
500 HG SER 59 HG SER 59 2.333 5.249 6.733
501 H SER 60 H SER 60 5.140 6.656 9.660
502 HA SER 60 HA SER 60 3.628 4.691 10.961
503 1HB SER 60 2HB SER 60 5.785 6.471 12.111
504 2HB SER 60 1HB SER 60 5.194 4.975 12.835
505 HG SER 60 HG SER 60 6.750 5.360 10.531
506 H SER 61 H SER 61 3.426 8.149 11.161
507 HA SER 61 HA SER 61 2.014 8.141 13.686
508 1HB SER 61 2HB SER 61 2.391 10.392 11.697
509 2HB SER 61 1HB SER 61 1.861 10.553 13.372
510 HG SER 61 HG SER 61 4.049 9.261 13.611
511 H LEU 62 H LEU 62 1.168 7.302 10.625
512 HA LEU 62 HA LEU 62 -1.641 8.087 11.049
513 1HB LEU 62 2HB LEU 62 -0.222 7.670 8.412
514 2HB LEU 62 1HB LEU 62 -1.917 8.054 8.610
515 HG LEU 62 HG LEU 62 0.286 9.885 9.542
516 1HD1 LEU 62 1HD1 LEU 62 -0.135 11.178 7.516
517 2HD1 LEU 62 2HD1 LEU 62 -1.253 9.940 6.949
518 3HD1 LEU 62 3HD1 LEU 62 0.461 9.566 7.124
519 1HD2 LEU 62 1HD2 LEU 62 -2.659 10.265 9.046
520 2HD2 LEU 62 2HD2 LEU 62 -1.528 11.541 9.501
521 3HD2 LEU 62 3HD2 LEU 62 -1.858 10.212 10.616
522 H ALA 63 H ALA 63 0.350 5.766 9.241
523 HA ALA 63 HA ALA 63 -1.857 3.844 9.407
524 1HB ALA 63 1HB ALA 63 -1.104 4.480 7.173
525 2HB ALA 63 2HB ALA 63 -0.825 2.765 7.486
526 3HB ALA 63 3HB ALA 63 0.518 3.905 7.557
527 H ASP 64 H ASP 64 -1.678 2.021 10.503
528 HA ASP 64 HA ASP 64 0.373 1.598 12.360
529 1HB ASP 64 2HB ASP 64 -1.883 0.775 12.733
530 2HB ASP 64 1HB ASP 64 -1.755 -0.293 11.342
531 HA PRO 65 HA PRO 65 3.237 -0.675 9.750
532 1HB PRO 65 2HB PRO 65 5.030 -0.687 12.009
533 2HB PRO 65 1HB PRO 65 5.157 0.245 10.515
534 1HG PRO 65 2HG PRO 65 4.682 1.350 12.982
535 2HG PRO 65 1HG PRO 65 4.206 2.098 11.448
536 1HD PRO 65 2HD PRO 65 2.547 0.528 13.387
537 2HD PRO 65 1HD PRO 65 2.125 1.987 12.460
538 H ALA 66 H ALA 66 3.020 -2.789 9.504
539 HA ALA 66 HA ALA 66 2.019 -4.474 11.563
540 1HB ALA 66 1HB ALA 66 3.176 -5.227 8.884
541 2HB ALA 66 2HB ALA 66 1.488 -4.826 9.199
542 3HB ALA 66 3HB ALA 66 2.204 -6.263 9.926
543 H SER 67 H SER 67 5.165 -4.160 9.989
544 HA SER 67 HA SER 67 6.404 -5.641 12.160
545 1HB SER 67 2HB SER 67 7.051 -5.658 9.237
546 2HB SER 67 1HB SER 67 7.997 -6.443 10.482
547 HG SER 67 HG SER 67 5.614 -7.314 10.903
548 H ASP 68 H ASP 68 8.357 -4.589 9.811
549 HA ASP 68 HA ASP 68 8.817 -1.883 10.686
550 1HB ASP 68 2HB ASP 68 10.148 -3.229 12.322
551 2HB ASP 68 1HB ASP 68 11.026 -3.935 10.974
552 H ILE 69 H ILE 69 10.372 -4.579 9.023
553 HA ILE 69 HA ILE 69 10.407 -3.010 6.556
554 HB ILE 69 HB ILE 69 12.721 -4.201 6.160
555 1HG1 ILE 69 2HG1 ILE 69 12.766 -3.812 9.146
556 2HG1 ILE 69 1HG1 ILE 69 12.521 -5.381 8.404
557 1HG2 ILE 69 1HG2 ILE 69 12.374 -1.799 6.109
558 2HG2 ILE 69 2HG2 ILE 69 13.860 -2.190 6.977
559 3HG2 ILE 69 3HG2 ILE 69 12.409 -1.738 7.872
560 1HD1 ILE 69 1HD1 ILE 69 14.829 -5.081 9.086
561 2HD1 ILE 69 2HD1 ILE 69 14.950 -3.627 8.096
562 3HD1 ILE 69 3HD1 ILE 69 14.716 -5.199 7.329
563 H LYS 70 H LYS 70 10.395 -4.188 4.688
564 HA LYS 70 HA LYS 70 10.035 -7.102 4.896
565 1HB LYS 70 2HB LYS 70 7.854 -6.630 4.395
566 2HB LYS 70 1HB LYS 70 8.239 -5.057 3.723
567 1HG LYS 70 2HG LYS 70 7.348 -6.343 1.957
568 2HG LYS 70 1HG LYS 70 9.083 -6.247 1.671
569 1HD LYS 70 2HD LYS 70 8.547 -8.472 1.221
570 2HD LYS 70 1HD LYS 70 9.210 -8.517 2.854
571 1HE LYS 70 2HE LYS 70 7.061 -8.729 3.820
572 2HE LYS 70 1HE LYS 70 6.261 -8.319 2.304
573 1HZ LYS 70 1HZ LYS 70 7.072 -10.391 1.348
574 2HZ LYS 70 2HZ LYS 70 6.158 -10.692 2.743
575 3HZ LYS 70 3HZ LYS 70 7.847 -10.785 2.810
576 H THR 71 H THR 71 11.639 -8.070 3.804
577 HA THR 71 HA THR 71 13.125 -6.521 1.864
578 HB THR 71 HB THR 71 14.586 -8.528 1.789
579 HG1 THR 71 HG1 THR 71 13.931 -10.270 2.823
580 1HG2 THR 71 1HG2 THR 71 15.145 -6.579 3.137
581 2HG2 THR 71 2HG2 THR 71 15.613 -8.050 3.990
582 3HG2 THR 71 3HG2 THR 71 14.149 -7.187 4.462
583 H CYS 72 H CYS 72 12.042 -6.394 0.092
584 HA CYS 72 HA CYS 72 10.543 -8.598 -1.025
585 1HB CYS 72 2HB CYS 72 9.655 -6.280 -1.099
586 2HB CYS 72 1HB CYS 72 10.966 -5.842 -2.186
587 HG CYS 72 HG CYS 72 8.269 -7.821 -2.809
588 H ASP 73 H ASP 73 10.748 -9.088 -3.366
589 HA ASP 73 HA ASP 73 13.584 -9.233 -4.138
590 1HB ASP 73 2HB ASP 73 12.989 -11.251 -5.376
591 2HB ASP 73 1HB ASP 73 12.480 -11.404 -3.696
592 H HIS 74 H HIS 74 10.893 -7.464 -4.823
593 HA HIS 74 HA HIS 74 11.547 -7.360 -7.697
594 1HB HIS 74 2HB HIS 74 8.833 -7.213 -6.400
595 2HB HIS 74 1HB HIS 74 9.122 -6.715 -8.063
596 HD1 HIS 74 HD1 HIS 74 7.336 -9.190 -7.018
597 HD2 HIS 74 HD2 HIS 74 11.100 -9.366 -8.766
598 HE1 HIS 74 HE1 HIS 74 7.520 -11.502 -7.980
599 HE2 HIS 74 HE2 HIS 74 9.901 -11.655 -8.797
600 H TYR 75 H TYR 75 10.726 -5.418 -4.856
601 HA TYR 75 HA TYR 75 10.270 -3.021 -6.377
602 1HB TYR 75 2HB TYR 75 10.908 -3.121 -3.434
603 2HB TYR 75 1HB TYR 75 10.021 -1.881 -4.302
604 HD1 TYR 75 HD1 TYR 75 9.222 -3.407 -1.767
605 HD2 TYR 75 HD2 TYR 75 8.290 -3.990 -5.878
606 HE1 TYR 75 HE1 TYR 75 7.121 -4.507 -1.125
607 HE2 TYR 75 HE2 TYR 75 6.184 -5.092 -5.247
608 HH TYR 75 HH TYR 75 4.878 -4.935 -2.147
609 H GLN 76 H GLN 76 12.416 -3.227 -7.585
610 HA GLN 76 HA GLN 76 14.810 -2.822 -6.089
611 1HB GLN 76 2HB GLN 76 15.903 -2.692 -8.256
612 2HB GLN 76 1HB GLN 76 14.841 -4.083 -8.157
613 1HG GLN 76 2HG GLN 76 13.143 -2.887 -9.442
614 2HG GLN 76 1HG GLN 76 14.196 -1.478 -9.528
615 1HE2 GLN 76 1HE2 GLN 76 16.594 -3.133 -9.893
616 2HE2 GLN 76 2HE2 GLN 76 16.525 -3.686 -11.529
617 H ASN 77 H ASN 77 12.412 -0.730 -7.277
618 HA ASN 77 HA ASN 77 14.125 1.542 -7.719
619 1HB ASN 77 2HB ASN 77 11.973 2.784 -7.957
620 2HB ASN 77 1HB ASN 77 12.099 1.385 -9.017
621 1HD2 ASN 77 1HD2 ASN 77 10.380 2.876 -6.476
622 2HD2 ASN 77 2HD2 ASN 77 9.158 1.667 -6.302
623 H PHE 78 H PHE 78 13.385 -0.006 -5.015
624 HA PHE 78 HA PHE 78 13.075 2.309 -3.287
625 1HB PHE 78 2HB PHE 78 13.312 -0.662 -2.816
626 2HB PHE 78 1HB PHE 78 13.428 0.482 -1.485
627 HD1 PHE 78 HD1 PHE 78 11.440 -1.254 -0.949
628 HD2 PHE 78 HD2 PHE 78 11.259 1.940 -3.754
629 HE1 PHE 78 HE1 PHE 78 8.989 -1.219 -0.744
630 HE2 PHE 78 HE2 PHE 78 8.809 1.979 -3.555
631 HZ PHE 78 HZ PHE 78 7.670 0.400 -2.048
632 HA PRO 79 HA PRO 79 17.326 3.146 -2.249
633 1HB PRO 79 2HB PRO 79 16.996 1.928 0.440
634 2HB PRO 79 1HB PRO 79 17.591 3.530 -0.003
635 1HG PRO 79 2HG PRO 79 15.132 3.149 1.016
636 2HG PRO 79 1HG PRO 79 15.478 4.413 -0.167
637 1HD PRO 79 2HD PRO 79 14.029 1.858 -0.500
638 2HD PRO 79 1HD PRO 79 13.862 3.377 -1.398
639 H LEU 80 H LEU 80 16.149 0.001 -1.218
640 HA LEU 80 HA LEU 80 16.937 -2.111 -1.394
641 1HB LEU 80 2HB LEU 80 19.110 -0.946 -3.127
642 2HB LEU 80 1HB LEU 80 18.751 -2.648 -2.949
643 HG LEU 80 HG LEU 80 17.171 -0.537 -4.356
644 1HD1 LEU 80 1HD1 LEU 80 17.197 -2.174 -6.154
645 2HD1 LEU 80 2HD1 LEU 80 18.094 -3.295 -5.127
646 3HD1 LEU 80 3HD1 LEU 80 18.835 -1.775 -5.632
647 1HD2 LEU 80 1HD2 LEU 80 15.343 -2.154 -4.532
648 2HD2 LEU 80 2HD2 LEU 80 15.618 -1.627 -2.872
649 3HD2 LEU 80 3HD2 LEU 80 16.197 -3.211 -3.403
650 H TYR 81 H TYR 81 17.876 -3.247 0.077
651 HA TYR 81 HA TYR 81 19.598 -1.917 1.958
652 1HB TYR 81 2HB TYR 81 17.653 -3.536 2.438
653 2HB TYR 81 1HB TYR 81 18.773 -4.816 1.999
654 HD1 TYR 81 HD1 TYR 81 18.474 -1.896 4.300
655 HD2 TYR 81 HD2 TYR 81 20.078 -5.783 3.651
656 HE1 TYR 81 HE1 TYR 81 19.275 -1.946 6.622
657 HE2 TYR 81 HE2 TYR 81 20.891 -5.839 5.972
658 HH TYR 81 HH TYR 81 21.337 -4.510 7.810
659 H LEU 82 H LEU 82 21.710 -2.437 2.437
660 HA LEU 82 HA LEU 82 23.067 -4.174 0.486
661 1HB LEU 82 2HB LEU 82 23.723 -1.562 1.610
662 2HB LEU 82 1HB LEU 82 25.040 -2.709 1.749
663 HG LEU 82 HG LEU 82 25.244 -1.379 -0.280
664 1HD1 LEU 82 1HD1 LEU 82 24.542 -4.264 -0.804
665 2HD1 LEU 82 2HD1 LEU 82 26.115 -3.638 -0.301
666 3HD1 LEU 82 3HD1 LEU 82 25.465 -3.220 -1.888
667 1HD2 LEU 82 1HD2 LEU 82 23.622 -1.610 -2.100
668 2HD2 LEU 82 2HD2 LEU 82 22.890 -0.892 -0.664
669 3HD2 LEU 82 3HD2 LEU 82 22.589 -2.586 -1.055
670 H GLY 83 H GLY 83 22.666 -6.073 1.672
671 1HA GLY 83 2HA GLY 83 23.918 -6.239 4.324
672 2HA GLY 83 1HA GLY 83 22.867 -7.448 3.597
673 H GLY 84 H GLY 84 25.205 -6.198 1.490
674 1HA GLY 84 2HA GLY 84 27.291 -7.009 0.815
675 2HA GLY 84 1HA GLY 84 27.195 -8.235 2.076
676 H GLU 85 H GLU 85 27.166 -7.780 -1.166
677 HA GLU 85 HA GLU 85 26.655 -9.007 -2.994
678 1HB GLU 85 2HB GLU 85 27.442 -10.918 -1.655
679 2HB GLU 85 1HB GLU 85 25.830 -11.114 -1.008
680 1HG GLU 85 2HG GLU 85 25.029 -11.491 -3.351
681 2HG GLU 85 1HG GLU 85 26.718 -11.501 -3.852
682 H THR 86 H THR 86 24.221 -9.857 -0.575
683 HA THR 86 HA THR 86 22.042 -9.840 -2.369
684 HB THR 86 HB THR 86 21.859 -11.101 -0.336
685 HG1 THR 86 HG1 THR 86 20.049 -9.116 0.366
686 1HG2 THR 86 1HG2 THR 86 23.313 -9.805 1.106
687 2HG2 THR 86 2HG2 THR 86 21.741 -10.020 1.879
688 3HG2 THR 86 3HG2 THR 86 22.152 -8.479 1.128
689 H HIS 87 H HIS 87 20.641 -8.319 -2.961
690 HA HIS 87 HA HIS 87 20.685 -5.700 -1.624
691 1HB HIS 87 2HB HIS 87 20.487 -6.238 -4.592
692 2HB HIS 87 1HB HIS 87 20.032 -4.708 -3.860
693 HD1 HIS 87 HD1 HIS 87 21.811 -3.026 -4.081
694 HD2 HIS 87 HD2 HIS 87 23.368 -6.861 -3.725
695 HE1 HIS 87 HE1 HIS 87 24.308 -2.755 -4.179
696 HE2 HIS 87 HE2 HIS 87 25.217 -5.111 -4.174
697 H GLU 88 H GLU 88 19.015 -6.581 -0.339
698 HA GLU 88 HA GLU 88 16.632 -7.559 -1.618
699 1HB GLU 88 2HB GLU 88 15.695 -7.470 0.755
700 2HB GLU 88 1HB GLU 88 17.000 -8.598 0.438
701 1HG GLU 88 2HG GLU 88 17.567 -5.883 1.537
702 2HG GLU 88 1HG GLU 88 17.037 -7.196 2.587
703 H HIS 89 H HIS 89 14.741 -6.597 -1.835
704 HA HIS 89 HA HIS 89 14.972 -3.702 -2.085
705 1HB HIS 89 2HB HIS 89 12.774 -5.532 -3.101
706 2HB HIS 89 1HB HIS 89 13.148 -3.901 -3.652
707 HD1 HIS 89 HD1 HIS 89 15.409 -3.652 -5.041
708 HD2 HIS 89 HD2 HIS 89 14.150 -7.537 -4.398
709 HE1 HIS 89 HE1 HIS 89 16.761 -5.048 -6.612
710 HE2 HIS 89 HE2 HIS 89 16.104 -7.431 -6.091
711 H TYR 90 H TYR 90 14.609 -3.018 0.060
712 HA TYR 90 HA TYR 90 12.400 -4.297 1.468
713 1HB TYR 90 2HB TYR 90 13.445 -3.706 3.504
714 2HB TYR 90 1HB TYR 90 14.728 -4.269 2.440
715 HD1 TYR 90 HD1 TYR 90 15.881 -2.256 1.047
716 HD2 TYR 90 HD2 TYR 90 13.851 -1.845 4.760
717 HE1 TYR 90 HE1 TYR 90 17.131 -0.188 1.495
718 HE2 TYR 90 HE2 TYR 90 15.091 0.220 5.218
719 HH TYR 90 HH TYR 90 17.458 1.152 4.424
720 H GLY 91 H GLY 91 10.690 -3.318 2.218
721 1HA GLY 91 2HA GLY 91 10.552 -0.376 2.192
722 2HA GLY 91 1HA GLY 91 9.263 -1.330 1.462
723 H ILE 92 H ILE 92 8.237 0.170 3.273
724 HA ILE 92 HA ILE 92 8.457 -1.093 5.911
725 HB ILE 92 HB ILE 92 6.910 1.405 5.224
726 1HG1 ILE 92 2HG1 ILE 92 9.251 1.759 4.612
727 2HG1 ILE 92 1HG1 ILE 92 8.855 2.673 6.063
728 1HG2 ILE 92 1HG2 ILE 92 6.277 0.368 7.326
729 2HG2 ILE 92 2HG2 ILE 92 7.145 1.875 7.625
730 3HG2 ILE 92 3HG2 ILE 92 7.964 0.327 7.836
731 1HD1 ILE 92 1HD1 ILE 92 9.931 0.938 7.423
732 2HD1 ILE 92 2HD1 ILE 92 11.040 1.669 6.264
733 3HD1 ILE 92 3HD1 ILE 92 10.364 0.071 5.951
734 HA PRO 93 HA PRO 93 4.632 -3.210 4.897
735 1HB PRO 93 2HB PRO 93 4.880 -4.620 7.398
736 2HB PRO 93 1HB PRO 93 5.149 -5.226 5.764
737 1HG PRO 93 2HG PRO 93 7.139 -4.895 7.617
738 2HG PRO 93 1HG PRO 93 7.400 -4.866 5.866
739 1HD PRO 93 2HD PRO 93 7.166 -2.582 7.785
740 2HD PRO 93 1HD PRO 93 8.256 -2.788 6.397
741 H HIS 94 H HIS 94 2.609 -2.671 5.277
742 HA HIS 94 HA HIS 94 1.759 -1.867 7.977
743 1HB HIS 94 2HB HIS 94 0.914 -0.480 5.418
744 2HB HIS 94 1HB HIS 94 0.353 -0.096 7.038
745 HD1 HIS 94 HD1 HIS 94 3.502 0.014 4.960
746 HD2 HIS 94 HD2 HIS 94 1.861 1.765 8.349
747 HE1 HIS 94 HE1 HIS 94 5.072 1.860 5.583
748 HE2 HIS 94 HE2 HIS 94 3.909 3.071 7.466
749 H GLY 95 H GLY 95 -0.765 -1.807 7.969
750 1HA GLY 95 2HA GLY 95 -2.192 -3.216 5.981
751 2HA GLY 95 1HA GLY 95 -1.778 -4.312 7.290
752 H PHE 96 H PHE 96 -4.397 -3.683 6.595
753 HA PHE 96 HA PHE 96 -5.324 -2.267 8.980
754 1HB PHE 96 2HB PHE 96 -6.195 -1.625 6.150
755 2HB PHE 96 1HB PHE 96 -7.014 -1.045 7.595
756 HD1 PHE 96 HD1 PHE 96 -4.105 -0.693 5.437
757 HD2 PHE 96 HD2 PHE 96 -5.972 0.624 9.028
758 HE1 PHE 96 HE1 PHE 96 -2.585 1.239 5.516
759 HE2 PHE 96 HE2 PHE 96 -4.456 2.556 9.109
760 HZ PHE 96 HZ PHE 96 -2.761 2.866 7.353
761 H SER 97 H SER 97 -8.016 -2.307 8.442
762 HA SER 97 HA SER 97 -8.755 -5.029 7.723
763 1HB SER 97 2HB SER 97 -9.900 -5.262 10.003
764 2HB SER 97 1HB SER 97 -8.141 -5.402 9.995
765 HG SER 97 HG SER 97 -9.117 -3.976 11.645
766 H SER 98 H SER 98 -9.300 -2.000 7.240
767 HA SER 98 HA SER 98 -12.083 -2.385 6.620
768 1HB SER 98 2HB SER 98 -11.207 -0.141 8.455
769 2HB SER 98 1HB SER 98 -12.788 -0.241 7.679
770 HG SER 98 HG SER 98 -12.095 -2.536 9.007
771 H ARG 99 H ARG 99 -12.545 -1.448 4.732
772 HA ARG 99 HA ARG 99 -10.475 -0.471 3.110
773 1HB ARG 99 2HB ARG 99 -13.356 0.101 2.497
774 2HB ARG 99 1HB ARG 99 -12.054 -0.334 1.398
775 1HG ARG 99 2HG ARG 99 -12.073 -2.619 2.334
776 2HG ARG 99 1HG ARG 99 -13.444 -2.163 3.345
777 1HD ARG 99 2HD ARG 99 -14.530 -3.117 1.565
778 2HD ARG 99 1HD ARG 99 -14.493 -1.429 1.056
779 HE ARG 99 HE ARG 99 -12.488 -3.388 0.131
780 1HH1 ARG 99 1HH1 ARG 99 -14.838 -0.865 -0.530
781 2HH1 ARG 99 2HH1 ARG 99 -14.504 -0.847 -2.231
782 1HH2 ARG 99 1HH2 ARG 99 -12.055 -3.365 -2.077
783 2HH2 ARG 99 2HH2 ARG 99 -12.936 -2.284 -3.126
784 H ILE 100 H ILE 100 -13.182 1.188 4.676
785 HA ILE 100 HA ILE 100 -12.685 3.750 3.646
786 HB ILE 100 HB ILE 100 -14.772 2.890 4.813
787 1HG1 ILE 100 2HG1 ILE 100 -14.195 5.345 4.213
788 2HG1 ILE 100 1HG1 ILE 100 -15.541 5.032 5.294
789 1HG2 ILE 100 1HG2 ILE 100 -14.934 3.297 7.236
790 2HG2 ILE 100 2HG2 ILE 100 -13.198 3.608 7.272
791 3HG2 ILE 100 3HG2 ILE 100 -13.800 2.012 6.821
792 1HD1 ILE 100 1HD1 ILE 100 -14.194 6.921 6.031
793 2HD1 ILE 100 2HD1 ILE 100 -12.780 5.873 6.142
794 3HD1 ILE 100 3HD1 ILE 100 -14.160 5.605 7.206
795 H ALA 101 H ALA 101 -11.272 2.057 6.372
796 HA ALA 101 HA ALA 101 -10.105 4.340 7.601
797 1HB ALA 101 1HB ALA 101 -8.798 2.754 8.900
798 2HB ALA 101 2HB ALA 101 -9.257 1.449 7.806
799 3HB ALA 101 3HB ALA 101 -10.480 2.229 8.808
800 H LEU 102 H LEU 102 -8.754 1.768 5.554
801 HA LEU 102 HA LEU 102 -6.205 2.817 5.167
802 1HB LEU 102 2HB LEU 102 -6.720 0.596 4.433
803 2HB LEU 102 1HB LEU 102 -7.989 1.175 3.373
804 HG LEU 102 HG LEU 102 -6.278 2.240 1.935
805 1HD1 LEU 102 1HD1 LEU 102 -3.925 1.688 2.246
806 2HD1 LEU 102 2HD1 LEU 102 -4.313 0.863 3.757
807 3HD1 LEU 102 3HD1 LEU 102 -4.552 2.605 3.617
808 1HD2 LEU 102 1HD2 LEU 102 -7.097 0.014 1.407
809 2HD2 LEU 102 2HD2 LEU 102 -5.869 -0.703 2.449
810 3HD2 LEU 102 3HD2 LEU 102 -5.390 0.163 0.990
811 H GLU 103 H GLU 103 -9.215 3.410 3.469
812 HA GLU 103 HA GLU 103 -8.414 5.031 1.394
813 1HB GLU 103 2HB GLU 103 -10.738 4.091 2.133
814 2HB GLU 103 1HB GLU 103 -10.888 5.619 2.985
815 1HG GLU 103 2HG GLU 103 -10.260 5.508 0.063
816 2HG GLU 103 1HG GLU 103 -11.912 5.417 0.662
817 H ARG 104 H ARG 104 -9.332 6.033 4.691
818 HA ARG 104 HA ARG 104 -8.887 8.790 4.176
819 1HB ARG 104 2HB ARG 104 -9.057 7.370 6.832
820 2HB ARG 104 1HB ARG 104 -9.149 9.110 6.581
821 1HG ARG 104 2HG ARG 104 -11.157 8.552 5.064
822 2HG ARG 104 1HG ARG 104 -11.144 6.996 5.891
823 1HD ARG 104 2HD ARG 104 -12.668 8.555 6.985
824 2HD ARG 104 1HD ARG 104 -11.323 8.129 8.046
825 HE ARG 104 HE ARG 104 -11.191 10.604 6.469
826 1HH1 ARG 104 1HH1 ARG 104 -11.439 9.010 9.584
827 2HH1 ARG 104 2HH1 ARG 104 -11.026 10.442 10.490
828 1HH2 ARG 104 1HH2 ARG 104 -10.665 12.485 7.655
829 2HH2 ARG 104 2HH2 ARG 104 -10.594 12.418 9.391
830 H TYR 105 H TYR 105 -6.860 6.226 5.487
831 HA TYR 105 HA TYR 105 -4.848 8.004 6.447
832 1HB TYR 105 2HB TYR 105 -4.967 5.036 6.004
833 2HB TYR 105 1HB TYR 105 -3.471 5.833 6.474
834 HD1 TYR 105 HD1 TYR 105 -6.140 4.091 7.760
835 HD2 TYR 105 HD2 TYR 105 -3.939 7.659 8.458
836 HE1 TYR 105 HE1 TYR 105 -6.881 4.080 10.103
837 HE2 TYR 105 HE2 TYR 105 -4.669 7.660 10.805
838 HH TYR 105 HH TYR 105 -6.238 4.949 12.240
839 H LEU 106 H LEU 106 -5.349 6.246 3.425
840 HA LEU 106 HA LEU 106 -2.953 6.969 2.147
841 1HB LEU 106 2HB LEU 106 -5.730 6.664 0.994
842 2HB LEU 106 1HB LEU 106 -4.265 6.795 0.039
843 HG LEU 106 HG LEU 106 -4.836 4.566 1.996
844 1HD1 LEU 106 1HD1 LEU 106 -5.029 4.617 -1.014
845 2HD1 LEU 106 2HD1 LEU 106 -6.379 4.488 0.116
846 3HD1 LEU 106 3HD1 LEU 106 -5.194 3.188 0.004
847 1HD2 LEU 106 1HD2 LEU 106 -2.455 5.005 1.675
848 2HD2 LEU 106 2HD2 LEU 106 -2.665 4.913 -0.075
849 3HD2 LEU 106 3HD2 LEU 106 -2.923 3.480 0.922
850 H ASN 107 H ASN 107 -5.998 8.641 2.576
851 HA ASN 107 HA ASN 107 -5.454 10.922 1.022
852 1HB ASN 107 2HB ASN 107 -7.360 10.320 3.264
853 2HB ASN 107 1HB ASN 107 -7.279 11.920 2.548
854 1HD2 ASN 107 1HD2 ASN 107 -9.451 9.970 2.556
855 2HD2 ASN 107 2HD2 ASN 107 -9.817 9.636 0.902
856 H GLY 108 H GLY 108 -4.801 10.154 4.382
857 1HA GLY 108 2HA GLY 108 -3.851 12.796 5.015
858 2HA GLY 108 1HA GLY 108 -3.697 11.362 6.020
859 H LEU 109 H LEU 109 -2.382 9.756 4.042
860 HA LEU 109 HA LEU 109 0.293 10.658 4.597
861 1HB LEU 109 2HB LEU 109 -0.395 8.303 4.841
862 2HB LEU 109 1HB LEU 109 -0.674 8.212 3.115
863 HG LEU 109 HG LEU 109 1.706 8.536 2.684
864 1HD1 LEU 109 1HD1 LEU 109 1.969 8.626 5.685
865 2HD1 LEU 109 2HD1 LEU 109 2.259 9.963 4.570
866 3HD1 LEU 109 3HD1 LEU 109 3.308 8.545 4.540
867 1HD2 LEU 109 1HD2 LEU 109 2.511 6.421 3.575
868 2HD2 LEU 109 2HD2 LEU 109 0.843 6.267 3.023
869 3HD2 LEU 109 3HD2 LEU 109 1.193 6.395 4.746
870 H PHE 110 H PHE 110 -1.575 9.976 1.626
871 HA PHE 110 HA PHE 110 0.532 11.395 0.124
872 1HB PHE 110 2HB PHE 110 -1.250 9.136 -0.807
873 2HB PHE 110 1HB PHE 110 -0.135 10.023 -1.838
874 HD1 PHE 110 HD1 PHE 110 -0.557 7.109 -0.030
875 HD2 PHE 110 HD2 PHE 110 2.356 10.106 -0.830
876 HE1 PHE 110 HE1 PHE 110 1.232 5.522 0.559
877 HE2 PHE 110 HE2 PHE 110 4.149 8.526 -0.240
878 HZ PHE 110 HZ PHE 110 3.585 6.230 0.454
879 H GLY 111 H GLY 111 -2.264 12.116 1.366
880 1HA GLY 111 2HA GLY 111 -3.881 12.832 -0.892
881 2HA GLY 111 1HA GLY 111 -4.154 13.308 0.776
882 H ASP 112 H ASP 112 -1.059 14.094 0.085
883 HA ASP 112 HA ASP 112 -1.629 16.884 -0.323
884 1HB ASP 112 2HB ASP 112 0.882 15.293 -0.072
885 2HB ASP 112 1HB ASP 112 0.893 17.037 -0.318
Start of MODEL 9
1 1H MET 1 1HT MET 1 -9.435 -7.484 11.330
2 2H MET 1 2HT MET 1 -11.098 -7.755 11.500
3 3H MET 1 3HT MET 1 -10.523 -6.816 10.219
4 HA MET 1 HA MET 1 -9.891 -9.666 10.593
5 1HB MET 1 2HB MET 1 -12.318 -9.174 10.110
6 2HB MET 1 1HB MET 1 -11.798 -8.424 8.610
7 1HG MET 1 2HG MET 1 -10.790 -10.609 7.955
8 2HG MET 1 1HG MET 1 -11.531 -11.317 9.389
9 1HE MET 1 1HE MET 1 -12.970 -8.524 7.022
10 2HE MET 1 2HE MET 1 -13.918 -9.486 5.886
11 3HE MET 1 3HE MET 1 -12.159 -9.621 5.904
12 H TYR 2 H TYR 2 -8.542 -7.042 9.852
13 HA TYR 2 HA TYR 2 -7.083 -6.160 8.373
14 1HB TYR 2 2HB TYR 2 -6.641 -9.092 7.809
15 2HB TYR 2 1HB TYR 2 -5.638 -7.810 7.139
16 HD1 TYR 2 HD1 TYR 2 -4.174 -6.481 8.589
17 HD2 TYR 2 HD2 TYR 2 -6.477 -9.704 10.144
18 HE1 TYR 2 HE1 TYR 2 -2.800 -6.473 10.625
19 HE2 TYR 2 HE2 TYR 2 -5.104 -9.702 12.184
20 HH TYR 2 HH TYR 2 -2.883 -8.985 12.910
21 H LEU 3 H LEU 3 -6.292 -6.755 5.835
22 HA LEU 3 HA LEU 3 -8.783 -6.762 4.271
23 1HB LEU 3 2HB LEU 3 -6.483 -4.817 3.976
24 2HB LEU 3 1HB LEU 3 -7.839 -4.941 2.875
25 HG LEU 3 HG LEU 3 -8.067 -4.168 5.782
26 1HD1 LEU 3 1HD1 LEU 3 -8.133 -2.457 3.301
27 2HD1 LEU 3 2HD1 LEU 3 -6.854 -2.479 4.515
28 3HD1 LEU 3 3HD1 LEU 3 -8.466 -1.906 4.942
29 1HD2 LEU 3 1HD2 LEU 3 -10.082 -5.216 4.901
30 2HD2 LEU 3 2HD2 LEU 3 -10.075 -4.103 3.532
31 3HD2 LEU 3 3HD2 LEU 3 -10.336 -3.491 5.165
32 H ARG 4 H ARG 4 -8.685 -8.132 2.602
33 HA ARG 4 HA ARG 4 -6.380 -9.656 2.001
34 1HB ARG 4 2HB ARG 4 -8.738 -9.209 0.159
35 2HB ARG 4 1HB ARG 4 -7.636 -10.578 0.163
36 1HG ARG 4 2HG ARG 4 -8.500 -11.148 2.446
37 2HG ARG 4 1HG ARG 4 -9.726 -9.899 2.216
38 1HD ARG 4 2HD ARG 4 -10.907 -11.680 1.437
39 2HD ARG 4 1HD ARG 4 -10.089 -11.234 -0.059
40 HE ARG 4 HE ARG 4 -9.355 -13.468 1.717
41 1HH1 ARG 4 1HH1 ARG 4 -9.014 -11.827 -1.363
42 2HH1 ARG 4 2HH1 ARG 4 -8.311 -13.194 -2.162
43 1HH2 ARG 4 1HH2 ARG 4 -8.436 -15.271 0.667
44 2HH2 ARG 4 2HH2 ARG 4 -7.992 -15.159 -1.009
45 HA PRO 5 HA PRO 5 -3.999 -7.082 -0.698
46 1HB PRO 5 2HB PRO 5 -3.488 -8.886 -2.759
47 2HB PRO 5 1HB PRO 5 -2.551 -8.753 -1.266
48 1HG PRO 5 2HG PRO 5 -4.734 -10.669 -1.971
49 2HG PRO 5 1HG PRO 5 -3.231 -10.956 -1.074
50 1HD PRO 5 2HD PRO 5 -5.571 -10.727 0.194
51 2HD PRO 5 1HD PRO 5 -4.083 -10.044 0.888
52 H ASP 6 H ASP 6 -6.550 -9.040 -2.128
53 HA ASP 6 HA ASP 6 -6.977 -7.649 -4.519
54 1HB ASP 6 2HB ASP 6 -9.229 -8.807 -2.898
55 2HB ASP 6 1HB ASP 6 -9.040 -8.779 -4.646
56 H GLU 7 H GLU 7 -8.248 -7.153 -1.270
57 HA GLU 7 HA GLU 7 -10.164 -5.179 -1.995
58 1HB GLU 7 2HB GLU 7 -10.209 -6.673 0.053
59 2HB GLU 7 1HB GLU 7 -8.969 -5.634 0.740
60 1HG GLU 7 2HG GLU 7 -11.116 -5.004 1.605
61 2HG GLU 7 1HG GLU 7 -10.508 -3.721 0.561
62 H VAL 8 H VAL 8 -6.906 -5.088 -0.639
63 HA VAL 8 HA VAL 8 -6.697 -2.341 -0.177
64 HB VAL 8 HB VAL 8 -4.502 -4.231 -1.061
65 1HG1 VAL 8 1HG1 VAL 8 -2.978 -2.657 0.026
66 2HG1 VAL 8 2HG1 VAL 8 -4.330 -1.582 0.374
67 3HG1 VAL 8 3HG1 VAL 8 -3.855 -1.886 -1.297
68 1HG2 VAL 8 1HG2 VAL 8 -5.470 -3.479 1.694
69 2HG2 VAL 8 2HG2 VAL 8 -4.024 -4.429 1.349
70 3HG2 VAL 8 3HG2 VAL 8 -5.618 -5.057 0.921
71 H ALA 9 H ALA 9 -6.010 -4.240 -3.088
72 HA ALA 9 HA ALA 9 -5.074 -2.159 -4.710
73 1HB ALA 9 1HB ALA 9 -4.855 -4.541 -5.277
74 2HB ALA 9 2HB ALA 9 -5.574 -3.610 -6.591
75 3HB ALA 9 3HB ALA 9 -6.593 -4.621 -5.566
76 H ARG 10 H ARG 10 -8.362 -3.361 -4.151
77 HA ARG 10 HA ARG 10 -9.652 -1.774 -6.065
78 1HB ARG 10 2HB ARG 10 -10.641 -3.002 -3.500
79 2HB ARG 10 1HB ARG 10 -11.697 -2.096 -4.578
80 1HG ARG 10 2HG ARG 10 -11.065 -3.661 -6.406
81 2HG ARG 10 1HG ARG 10 -10.178 -4.613 -5.215
82 1HD ARG 10 2HD ARG 10 -13.102 -3.958 -4.948
83 2HD ARG 10 1HD ARG 10 -12.515 -5.399 -5.774
84 HE ARG 10 HE ARG 10 -12.350 -4.841 -2.895
85 1HH1 ARG 10 1HH1 ARG 10 -11.679 -6.986 -5.581
86 2HH1 ARG 10 2HH1 ARG 10 -11.589 -8.409 -4.593
87 1HH2 ARG 10 1HH2 ARG 10 -12.237 -6.748 -1.583
88 2HH2 ARG 10 2HH2 ARG 10 -11.901 -8.280 -2.351
89 H VAL 11 H VAL 11 -8.758 -1.066 -2.726
90 HA VAL 11 HA VAL 11 -10.123 1.419 -2.563
91 HB VAL 11 HB VAL 11 -7.630 0.589 -1.059
92 1HG1 VAL 11 1HG1 VAL 11 -8.103 2.981 -0.932
93 2HG1 VAL 11 2HG1 VAL 11 -8.380 2.194 0.624
94 3HG1 VAL 11 3HG1 VAL 11 -9.748 2.631 -0.400
95 1HG2 VAL 11 1HG2 VAL 11 -10.529 0.224 -0.302
96 2HG2 VAL 11 2HG2 VAL 11 -9.136 -0.175 0.703
97 3HG2 VAL 11 3HG2 VAL 11 -9.425 -1.059 -0.796
98 H LEU 12 H LEU 12 -6.826 0.512 -3.465
99 HA LEU 12 HA LEU 12 -5.823 3.085 -3.959
100 1HB LEU 12 2HB LEU 12 -5.122 0.471 -5.298
101 2HB LEU 12 1HB LEU 12 -4.185 1.946 -5.428
102 HG LEU 12 HG LEU 12 -4.685 0.444 -2.857
103 1HD1 LEU 12 1HD1 LEU 12 -2.355 -0.217 -3.012
104 2HD1 LEU 12 2HD1 LEU 12 -2.210 0.609 -4.563
105 3HD1 LEU 12 3HD1 LEU 12 -3.259 -0.799 -4.409
106 1HD2 LEU 12 1HD2 LEU 12 -4.365 2.840 -2.520
107 2HD2 LEU 12 2HD2 LEU 12 -2.885 2.782 -3.478
108 3HD2 LEU 12 3HD2 LEU 12 -2.973 1.927 -1.939
109 H GLU 13 H GLU 13 -7.398 0.766 -6.154
110 HA GLU 13 HA GLU 13 -7.300 2.322 -8.469
111 1HB GLU 13 2HB GLU 13 -9.304 0.247 -7.583
112 2HB GLU 13 1HB GLU 13 -9.209 0.898 -9.210
113 1HG GLU 13 2HG GLU 13 -6.948 0.029 -9.442
114 2HG GLU 13 1HG GLU 13 -7.022 -0.605 -7.800
115 H LYS 14 H LYS 14 -9.611 2.259 -5.823
116 HA LYS 14 HA LYS 14 -11.550 3.985 -6.937
117 1HB LYS 14 2HB LYS 14 -11.694 2.519 -4.832
118 2HB LYS 14 1HB LYS 14 -10.854 3.820 -4.011
119 1HG LYS 14 2HG LYS 14 -12.689 5.356 -4.739
120 2HG LYS 14 1HG LYS 14 -13.560 3.935 -5.315
121 1HD LYS 14 2HD LYS 14 -12.644 4.417 -2.482
122 2HD LYS 14 1HD LYS 14 -14.294 4.602 -3.075
123 1HE LYS 14 2HE LYS 14 -12.703 2.039 -3.054
124 2HE LYS 14 1HE LYS 14 -13.964 2.474 -1.903
125 1HZ LYS 14 1HZ LYS 14 -14.301 1.996 -4.816
126 2HZ LYS 14 2HZ LYS 14 -15.524 2.587 -3.802
127 3HZ LYS 14 3HZ LYS 14 -14.885 1.036 -3.547
128 H ALA 15 H ALA 15 -8.763 4.536 -4.861
129 HA ALA 15 HA ALA 15 -9.127 7.329 -4.575
130 1HB ALA 15 1HB ALA 15 -7.867 5.946 -2.981
131 2HB ALA 15 2HB ALA 15 -6.946 7.342 -3.541
132 3HB ALA 15 3HB ALA 15 -6.599 5.738 -4.188
133 H GLY 16 H GLY 16 -8.106 5.594 -7.263
134 1HA GLY 16 2HA GLY 16 -7.756 6.666 -9.343
135 2HA GLY 16 1HA GLY 16 -7.221 8.100 -8.489
136 H PHE 17 H PHE 17 -6.042 4.887 -7.779
137 HA PHE 17 HA PHE 17 -3.355 5.760 -8.477
138 1HB PHE 17 2HB PHE 17 -4.471 3.438 -6.940
139 2HB PHE 17 1HB PHE 17 -2.811 3.425 -7.512
140 HD1 PHE 17 HD1 PHE 17 -5.140 5.667 -5.643
141 HD2 PHE 17 HD2 PHE 17 -1.180 4.171 -6.090
142 HE1 PHE 17 HE1 PHE 17 -4.443 6.925 -3.647
143 HE2 PHE 17 HE2 PHE 17 -0.476 5.426 -4.094
144 HZ PHE 17 HZ PHE 17 -2.108 6.806 -2.870
145 H THR 18 H THR 18 -1.898 4.206 -9.502
146 HA THR 18 HA THR 18 -3.187 2.715 -11.681
147 HB THR 18 HB THR 18 -0.737 4.333 -12.242
148 HG1 THR 18 HG1 THR 18 -3.366 5.429 -12.459
149 1HG2 THR 18 1HG2 THR 18 -1.750 4.466 -14.465
150 2HG2 THR 18 2HG2 THR 18 -3.173 3.616 -13.862
151 3HG2 THR 18 3HG2 THR 18 -1.615 2.793 -13.921
152 H VAL 19 H VAL 19 -1.848 1.002 -12.523
153 HA VAL 19 HA VAL 19 0.172 0.136 -10.604
154 HB VAL 19 HB VAL 19 -1.616 -1.444 -11.420
155 1HG1 VAL 19 1HG1 VAL 19 -1.367 -2.500 -13.585
156 2HG1 VAL 19 2HG1 VAL 19 0.010 -1.464 -13.958
157 3HG1 VAL 19 3HG1 VAL 19 -1.599 -0.762 -13.782
158 1HG2 VAL 19 1HG2 VAL 19 0.360 -2.286 -10.327
159 2HG2 VAL 19 2HG2 VAL 19 1.261 -2.232 -11.841
160 3HG2 VAL 19 3HG2 VAL 19 -0.081 -3.362 -11.654
161 H ASP 20 H ASP 20 2.309 -0.185 -11.090
162 HA ASP 20 HA ASP 20 3.209 0.896 -13.683
163 1HB ASP 20 2HB ASP 20 3.921 2.128 -11.603
164 2HB ASP 20 1HB ASP 20 4.815 0.690 -11.125
165 H VAL 21 H VAL 21 3.968 -1.504 -11.198
166 HA VAL 21 HA VAL 21 5.055 -3.245 -13.297
167 HB VAL 21 HB VAL 21 6.956 -2.268 -12.123
168 1HG1 VAL 21 1HG1 VAL 21 7.304 -2.639 -9.714
169 2HG1 VAL 21 2HG1 VAL 21 5.694 -3.347 -9.599
170 3HG1 VAL 21 3HG1 VAL 21 5.881 -1.648 -10.034
171 1HG2 VAL 21 1HG2 VAL 21 8.058 -4.313 -11.339
172 2HG2 VAL 21 2HG2 VAL 21 7.163 -4.586 -12.833
173 3HG2 VAL 21 3HG2 VAL 21 6.497 -5.133 -11.295
174 H VAL 22 H VAL 22 4.544 -5.428 -13.090
175 HA VAL 22 HA VAL 22 3.100 -6.141 -10.624
176 HB VAL 22 HB VAL 22 1.703 -7.677 -11.753
177 1HG1 VAL 22 1HG1 VAL 22 1.861 -5.173 -13.412
178 2HG1 VAL 22 2HG1 VAL 22 0.947 -5.395 -11.921
179 3HG1 VAL 22 3HG1 VAL 22 0.499 -6.294 -13.372
180 1HG2 VAL 22 1HG2 VAL 22 3.316 -7.191 -14.249
181 2HG2 VAL 22 2HG2 VAL 22 1.842 -8.155 -14.154
182 3HG2 VAL 22 3HG2 VAL 22 3.286 -8.665 -13.279
183 H THR 23 H THR 23 3.853 -7.779 -9.479
184 HA THR 23 HA THR 23 5.620 -9.718 -10.795
185 HB THR 23 HB THR 23 6.949 -9.910 -8.715
186 HG1 THR 23 HG1 THR 23 5.349 -7.703 -7.896
187 1HG2 THR 23 1HG2 THR 23 6.882 -7.099 -9.813
188 2HG2 THR 23 2HG2 THR 23 7.768 -8.457 -10.505
189 3HG2 THR 23 3HG2 THR 23 8.216 -7.828 -8.920
190 H ASN 24 H ASN 24 5.584 -11.835 -9.691
191 HA ASN 24 HA ASN 24 2.897 -12.559 -9.172
192 1HB ASN 24 2HB ASN 24 5.463 -14.126 -8.840
193 2HB ASN 24 1HB ASN 24 3.863 -14.826 -8.625
194 1HD2 ASN 24 1HD2 ASN 24 4.021 -16.265 -10.284
195 2HD2 ASN 24 2HD2 ASN 24 4.074 -15.795 -11.952
196 H LYS 25 H LYS 25 4.993 -11.021 -7.173
197 HA LYS 25 HA LYS 25 3.873 -12.252 -4.739
198 1HB LYS 25 2HB LYS 25 6.562 -10.961 -5.193
199 2HB LYS 25 1HB LYS 25 5.929 -11.350 -3.602
200 1HG LYS 25 2HG LYS 25 5.925 -13.698 -4.133
201 2HG LYS 25 1HG LYS 25 6.438 -13.351 -5.789
202 1HD LYS 25 2HD LYS 25 8.553 -12.589 -5.086
203 2HD LYS 25 1HD LYS 25 8.035 -12.465 -3.404
204 1HE LYS 25 2HE LYS 25 8.328 -15.026 -4.963
205 2HE LYS 25 1HE LYS 25 9.488 -14.400 -3.792
206 1HZ LYS 25 1HZ LYS 25 8.220 -15.911 -2.581
207 2HZ LYS 25 2HZ LYS 25 6.768 -15.443 -3.317
208 3HZ LYS 25 3HZ LYS 25 7.509 -14.419 -2.187
209 H THR 26 H THR 26 3.964 -9.483 -6.654
210 HA THR 26 HA THR 26 2.942 -7.772 -4.595
211 HB THR 26 HB THR 26 5.791 -7.599 -5.490
212 HG1 THR 26 HG1 THR 26 4.491 -7.129 -3.002
213 1HG2 THR 26 1HG2 THR 26 5.946 -5.279 -4.747
214 2HG2 THR 26 2HG2 THR 26 4.196 -5.229 -4.528
215 3HG2 THR 26 3HG2 THR 26 4.879 -5.443 -6.141
216 H TYR 27 H TYR 27 1.725 -6.198 -5.427
217 HA TYR 27 HA TYR 27 1.928 -5.610 -8.293
218 1HB TYR 27 2HB TYR 27 -0.210 -4.883 -6.275
219 2HB TYR 27 1HB TYR 27 -0.235 -4.423 -7.973
220 HD1 TYR 27 HD1 TYR 27 -0.035 -6.442 -9.661
221 HD2 TYR 27 HD2 TYR 27 -1.342 -6.787 -5.629
222 HE1 TYR 27 HE1 TYR 27 -1.185 -8.540 -10.219
223 HE2 TYR 27 HE2 TYR 27 -2.494 -8.889 -6.175
224 HH TYR 27 HH TYR 27 -3.450 -9.997 -8.205
225 H GLY 28 H GLY 28 3.251 -4.000 -8.778
226 1HA GLY 28 2HA GLY 28 4.026 -2.023 -6.828
227 2HA GLY 28 1HA GLY 28 4.570 -2.121 -8.498
228 H TYR 29 H TYR 29 2.079 -0.984 -6.362
229 HA TYR 29 HA TYR 29 0.672 0.381 -8.514
230 1HB TYR 29 2HB TYR 29 0.058 -0.574 -5.824
231 2HB TYR 29 1HB TYR 29 -0.570 1.034 -6.132
232 HD1 TYR 29 HD1 TYR 29 -0.764 -2.502 -7.030
233 HD2 TYR 29 HD2 TYR 29 -2.302 1.381 -7.833
234 HE1 TYR 29 HE1 TYR 29 -2.649 -3.510 -8.250
235 HE2 TYR 29 HE2 TYR 29 -4.193 0.389 -9.050
236 HH TYR 29 HH TYR 29 -5.029 -2.839 -8.859
237 H ARG 30 H ARG 30 0.348 2.647 -8.550
238 HA ARG 30 HA ARG 30 1.665 4.302 -6.588
239 1HB ARG 30 2HB ARG 30 3.193 5.405 -8.115
240 2HB ARG 30 1HB ARG 30 3.542 3.682 -8.070
241 1HG ARG 30 2HG ARG 30 2.540 3.340 -10.200
242 2HG ARG 30 1HG ARG 30 1.879 4.978 -10.216
243 1HD ARG 30 2HD ARG 30 4.166 5.880 -10.228
244 2HD ARG 30 1HD ARG 30 4.804 4.237 -10.266
245 HE ARG 30 HE ARG 30 3.808 3.999 -12.473
246 1HH1 ARG 30 1HH1 ARG 30 4.105 7.246 -11.198
247 2HH1 ARG 30 2HH1 ARG 30 4.097 8.004 -12.762
248 1HH2 ARG 30 1HH2 ARG 30 3.790 4.990 -14.543
249 2HH2 ARG 30 2HH2 ARG 30 3.878 6.727 -14.658
250 H ARG 31 H ARG 31 1.223 6.538 -6.847
251 HA ARG 31 HA ARG 31 -0.567 7.266 -9.062
252 1HB ARG 31 2HB ARG 31 -1.825 7.050 -6.854
253 2HB ARG 31 1HB ARG 31 -0.860 8.399 -6.268
254 1HG ARG 31 2HG ARG 31 -1.784 9.863 -7.918
255 2HG ARG 31 1HG ARG 31 -2.621 8.524 -8.706
256 1HD ARG 31 2HD ARG 31 -4.235 9.685 -7.401
257 2HD ARG 31 1HD ARG 31 -3.879 8.175 -6.567
258 HE ARG 31 HE ARG 31 -2.190 10.127 -5.517
259 1HH1 ARG 31 1HH1 ARG 31 -5.623 9.404 -5.624
260 2HH1 ARG 31 2HH1 ARG 31 -5.959 10.227 -4.134
261 1HH2 ARG 31 1HH2 ARG 31 -2.659 11.202 -3.538
262 2HH2 ARG 31 2HH2 ARG 31 -4.299 11.237 -2.964
263 H GLY 32 H GLY 32 0.975 8.284 -10.249
264 1HA GLY 32 2HA GLY 32 2.564 9.881 -10.794
265 2HA GLY 32 1HA GLY 32 2.272 10.647 -9.232
266 H GLU 33 H GLU 33 4.107 10.692 -8.042
267 HA GLU 33 HA GLU 33 5.866 8.350 -8.191
268 1HB GLU 33 2HB GLU 33 7.557 9.692 -7.076
269 2HB GLU 33 1HB GLU 33 6.965 10.511 -8.512
270 1HG GLU 33 2HG GLU 33 5.720 12.061 -7.221
271 2HG GLU 33 1HG GLU 33 5.981 11.135 -5.740
272 H ASN 34 H ASN 34 3.227 8.717 -6.696
273 HA ASN 34 HA ASN 34 4.092 8.176 -3.962
274 1HB ASN 34 2HB ASN 34 1.311 8.156 -5.174
275 2HB ASN 34 1HB ASN 34 1.677 7.957 -3.466
276 1HD2 ASN 34 1HD2 ASN 34 3.796 9.984 -3.509
277 2HD2 ASN 34 2HD2 ASN 34 2.982 11.505 -3.591
278 H TYR 35 H TYR 35 5.174 6.250 -4.069
279 HA TYR 35 HA TYR 35 4.038 4.058 -5.610
280 1HB TYR 35 2HB TYR 35 6.682 4.231 -4.149
281 2HB TYR 35 1HB TYR 35 6.183 2.940 -5.236
282 HD1 TYR 35 HD1 TYR 35 5.480 3.777 -7.652
283 HD2 TYR 35 HD2 TYR 35 8.032 5.899 -4.994
284 HE1 TYR 35 HE1 TYR 35 6.453 4.985 -9.560
285 HE2 TYR 35 HE2 TYR 35 9.009 7.119 -6.890
286 HH TYR 35 HH TYR 35 9.280 6.918 -9.275
287 H VAL 36 H VAL 36 2.945 2.447 -4.750
288 HA VAL 36 HA VAL 36 3.546 1.633 -1.998
289 HB VAL 36 HB VAL 36 1.132 1.051 -1.668
290 1HG1 VAL 36 1HG1 VAL 36 2.090 3.006 -0.617
291 2HG1 VAL 36 2HG1 VAL 36 0.430 3.335 -1.116
292 3HG1 VAL 36 3HG1 VAL 36 1.779 3.963 -2.065
293 1HG2 VAL 36 1HG2 VAL 36 -0.551 2.198 -3.029
294 2HG2 VAL 36 2HG2 VAL 36 0.398 1.067 -3.995
295 3HG2 VAL 36 3HG2 VAL 36 0.720 2.798 -4.093
296 H TYR 37 H TYR 37 4.254 -0.365 -2.008
297 HA TYR 37 HA TYR 37 3.736 -2.079 -4.316
298 1HB TYR 37 2HB TYR 37 5.563 -2.443 -1.925
299 2HB TYR 37 1HB TYR 37 5.443 -3.557 -3.280
300 HD1 TYR 37 HD1 TYR 37 6.813 -0.406 -2.099
301 HD2 TYR 37 HD2 TYR 37 6.279 -2.895 -5.506
302 HE1 TYR 37 HE1 TYR 37 8.553 0.861 -3.288
303 HE2 TYR 37 HE2 TYR 37 8.018 -1.636 -6.706
304 HH TYR 37 HH TYR 37 9.075 0.583 -6.634
305 H VAL 38 H VAL 38 1.861 -3.154 -4.197
306 HA VAL 38 HA VAL 38 0.671 -3.902 -1.689
307 HB VAL 38 HB VAL 38 -0.131 -4.738 -4.482
308 1HG1 VAL 38 1HG1 VAL 38 -1.092 -6.181 -2.789
309 2HG1 VAL 38 2HG1 VAL 38 -2.341 -5.135 -3.463
310 3HG1 VAL 38 3HG1 VAL 38 -1.655 -4.780 -1.879
311 1HG2 VAL 38 1HG2 VAL 38 -1.060 -2.412 -2.805
312 2HG2 VAL 38 2HG2 VAL 38 -1.796 -2.926 -4.322
313 3HG2 VAL 38 3HG2 VAL 38 -0.138 -2.327 -4.305
314 H ASN 39 H ASN 39 1.364 -5.570 -0.545
315 HA ASN 39 HA ASN 39 2.956 -7.663 -1.665
316 1HB ASN 39 2HB ASN 39 3.166 -6.835 0.692
317 2HB ASN 39 1HB ASN 39 1.619 -7.595 1.046
318 1HD2 ASN 39 1HD2 ASN 39 4.131 -8.905 -1.049
319 2HD2 ASN 39 2HD2 ASN 39 4.507 -10.269 -0.054
320 H ARG 40 H ARG 40 2.062 -9.042 -3.007
321 HA ARG 40 HA ARG 40 -0.706 -9.778 -2.913
322 1HB ARG 40 2HB ARG 40 0.575 -9.520 -5.012
323 2HB ARG 40 1HB ARG 40 1.586 -10.879 -4.554
324 1HG ARG 40 2HG ARG 40 -0.345 -12.364 -4.673
325 2HG ARG 40 1HG ARG 40 -1.373 -10.995 -5.113
326 1HD ARG 40 2HD ARG 40 -0.062 -10.636 -7.125
327 2HD ARG 40 1HD ARG 40 1.028 -11.944 -6.674
328 HE ARG 40 HE ARG 40 -1.658 -12.855 -6.825
329 1HH1 ARG 40 1HH1 ARG 40 1.061 -11.943 -8.830
330 2HH1 ARG 40 2HH1 ARG 40 0.585 -12.944 -10.169
331 1HH2 ARG 40 1HH2 ARG 40 -2.304 -14.166 -8.581
332 2HH2 ARG 40 2HH2 ARG 40 -1.327 -14.206 -10.018
333 H GLU 41 H GLU 41 2.032 -10.775 -1.287
334 HA GLU 41 HA GLU 41 1.331 -13.574 -1.026
335 1HB GLU 41 2HB GLU 41 3.390 -12.037 0.558
336 2HB GLU 41 1HB GLU 41 3.314 -13.773 0.303
337 1HG GLU 41 2HG GLU 41 3.907 -13.515 -2.005
338 2HG GLU 41 1HG GLU 41 3.819 -11.758 -1.869
339 H ALA 42 H ALA 42 -0.017 -10.886 0.196
340 HA ALA 42 HA ALA 42 0.099 -11.336 3.004
341 1HB ALA 42 1HB ALA 42 -0.280 -9.116 2.072
342 2HB ALA 42 2HB ALA 42 -1.582 -9.581 3.167
343 3HB ALA 42 3HB ALA 42 -1.830 -9.649 1.422
344 H ARG 43 H ARG 43 -0.498 -13.525 3.215
345 HA ARG 43 HA ARG 43 -3.020 -14.564 2.474
346 1HB ARG 43 2HB ARG 43 -1.160 -15.408 4.702
347 2HB ARG 43 1HB ARG 43 -2.514 -16.353 4.108
348 1HG ARG 43 2HG ARG 43 -0.296 -15.514 2.280
349 2HG ARG 43 1HG ARG 43 -0.146 -16.938 3.309
350 1HD ARG 43 2HD ARG 43 -0.928 -17.738 1.242
351 2HD ARG 43 1HD ARG 43 -2.338 -17.720 2.298
352 HE ARG 43 HE ARG 43 -1.825 -15.532 0.393
353 1HH1 ARG 43 1HH1 ARG 43 -3.862 -18.081 1.653
354 2HH1 ARG 43 2HH1 ARG 43 -5.237 -17.644 0.686
355 1HH2 ARG 43 1HH2 ARG 43 -3.622 -14.951 -0.907
356 2HH2 ARG 43 2HH2 ARG 43 -5.104 -15.855 -0.767
357 H MET 44 H MET 44 -1.825 -12.979 5.379
358 HA MET 44 HA MET 44 -4.460 -13.194 6.636
359 1HB MET 44 2HB MET 44 -1.781 -12.314 7.715
360 2HB MET 44 1HB MET 44 -3.273 -12.241 8.640
361 1HG MET 44 2HG MET 44 -3.509 -14.661 8.460
362 2HG MET 44 1HG MET 44 -2.016 -14.737 7.523
363 1HE MET 44 1HE MET 44 -2.680 -16.378 10.270
364 2HE MET 44 2HE MET 44 -1.095 -16.299 11.039
365 3HE MET 44 3HE MET 44 -1.223 -16.604 9.305
366 H GLY 45 H GLY 45 -3.096 -11.146 4.526
367 1HA GLY 45 2HA GLY 45 -3.390 -8.929 3.979
368 2HA GLY 45 1HA GLY 45 -4.777 -8.952 5.060
369 H ARG 46 H ARG 46 -1.598 -9.735 6.184
370 HA ARG 46 HA ARG 46 -1.802 -7.635 8.173
371 1HB ARG 46 2HB ARG 46 -0.962 -10.245 8.231
372 2HB ARG 46 1HB ARG 46 0.562 -9.381 8.178
373 1HG ARG 46 2HG ARG 46 -1.609 -8.952 10.218
374 2HG ARG 46 1HG ARG 46 -0.159 -9.922 10.458
375 1HD ARG 46 2HD ARG 46 1.062 -7.707 9.773
376 2HD ARG 46 1HD ARG 46 -0.459 -6.959 10.264
377 HE ARG 46 HE ARG 46 0.807 -8.807 12.139
378 1HH1 ARG 46 1HH1 ARG 46 -0.043 -5.511 11.297
379 2HH1 ARG 46 2HH1 ARG 46 0.488 -4.856 12.819
380 1HH2 ARG 46 1HH2 ARG 46 1.486 -7.944 14.146
381 2HH2 ARG 46 2HH2 ARG 46 1.329 -6.242 14.441
382 H THR 47 H THR 47 0.134 -8.484 5.392
383 HA THR 47 HA THR 47 1.879 -6.162 5.888
384 HB THR 47 HB THR 47 3.549 -7.475 4.465
385 HG1 THR 47 HG1 THR 47 2.774 -9.283 3.674
386 1HG2 THR 47 1HG2 THR 47 3.784 -7.228 6.897
387 2HG2 THR 47 2HG2 THR 47 4.319 -8.822 6.362
388 3HG2 THR 47 3HG2 THR 47 2.746 -8.634 7.140
389 H ALA 48 H ALA 48 -0.664 -6.265 4.411
390 HA ALA 48 HA ALA 48 -0.283 -6.759 1.670
391 1HB ALA 48 1HB ALA 48 -2.455 -6.841 2.810
392 2HB ALA 48 2HB ALA 48 -2.482 -5.840 1.358
393 3HB ALA 48 3HB ALA 48 -2.424 -5.083 2.952
394 H LEU 49 H LEU 49 0.217 -3.822 3.533
395 HA LEU 49 HA LEU 49 0.513 -2.347 0.997
396 1HB LEU 49 2HB LEU 49 -1.368 -1.583 2.434
397 2HB LEU 49 1HB LEU 49 -0.207 -1.197 3.690
398 HG LEU 49 HG LEU 49 0.870 0.414 2.091
399 1HD1 LEU 49 1HD1 LEU 49 -1.595 -0.170 0.462
400 2HD1 LEU 49 2HD1 LEU 49 0.071 -0.536 0.012
401 3HD1 LEU 49 3HD1 LEU 49 -0.454 1.142 0.162
402 1HD2 LEU 49 1HD2 LEU 49 -0.647 1.172 3.836
403 2HD2 LEU 49 2HD2 LEU 49 -2.028 0.891 2.774
404 3HD2 LEU 49 3HD2 LEU 49 -0.844 2.137 2.373
405 H ILE 50 H ILE 50 2.597 -2.193 0.542
406 HA ILE 50 HA ILE 50 4.447 -1.514 2.732
407 HB ILE 50 HB ILE 50 5.002 -2.957 0.136
408 1HG1 ILE 50 2HG1 ILE 50 5.182 -3.956 2.981
409 2HG1 ILE 50 1HG1 ILE 50 3.768 -4.191 1.963
410 1HG2 ILE 50 1HG2 ILE 50 6.867 -2.221 2.393
411 2HG2 ILE 50 2HG2 ILE 50 6.900 -1.576 0.749
412 3HG2 ILE 50 3HG2 ILE 50 7.273 -3.278 1.037
413 1HD1 ILE 50 1HD1 ILE 50 6.533 -5.243 1.443
414 2HD1 ILE 50 2HD1 ILE 50 5.140 -5.454 0.381
415 3HD1 ILE 50 3HD1 ILE 50 5.137 -6.169 1.993
416 H ILE 51 H ILE 51 5.356 0.442 2.655
417 HA ILE 51 HA ILE 51 4.873 2.032 0.229
418 HB ILE 51 HB ILE 51 4.897 4.011 1.608
419 1HG1 ILE 51 2HG1 ILE 51 5.381 2.198 3.982
420 2HG1 ILE 51 1HG1 ILE 51 6.629 3.175 3.216
421 1HG2 ILE 51 1HG2 ILE 51 2.925 3.591 3.008
422 2HG2 ILE 51 2HG2 ILE 51 3.183 1.854 2.839
423 3HG2 ILE 51 3HG2 ILE 51 2.780 2.827 1.424
424 1HD1 ILE 51 1HD1 ILE 51 5.746 4.215 5.242
425 2HD1 ILE 51 2HD1 ILE 51 4.138 4.246 4.518
426 3HD1 ILE 51 3HD1 ILE 51 5.443 5.199 3.810
427 H HIS 52 H HIS 52 6.430 3.922 0.029
428 HA HIS 52 HA HIS 52 9.095 3.015 -0.265
429 1HB HIS 52 2HB HIS 52 8.048 4.790 -1.662
430 2HB HIS 52 1HB HIS 52 8.034 5.854 -0.265
431 HD1 HIS 52 HD1 HIS 52 10.398 6.657 0.603
432 HD2 HIS 52 HD2 HIS 52 10.398 4.752 -3.080
433 HE1 HIS 52 HE1 HIS 52 12.639 7.149 -0.397
434 HE2 HIS 52 HE2 HIS 52 12.469 6.269 -2.759
435 HA PRO 53 HA PRO 53 10.447 2.873 3.933
436 1HB PRO 53 2HB PRO 53 12.917 3.902 2.581
437 2HB PRO 53 1HB PRO 53 12.755 2.636 3.808
438 1HG PRO 53 2HG PRO 53 13.019 2.000 1.239
439 2HG PRO 53 1HG PRO 53 11.925 1.088 2.294
440 1HD PRO 53 2HD PRO 53 11.296 2.997 0.127
441 2HD PRO 53 1HD PRO 53 10.317 1.674 0.788
442 H ARG 54 H ARG 54 11.633 5.752 2.154
443 HA ARG 54 HA ARG 54 12.368 7.151 4.458
444 1HB ARG 54 2HB ARG 54 12.951 8.903 3.077
445 2HB ARG 54 1HB ARG 54 13.006 7.539 1.974
446 1HG ARG 54 2HG ARG 54 11.895 9.044 0.683
447 2HG ARG 54 1HG ARG 54 10.519 8.283 1.484
448 1HD ARG 54 2HD ARG 54 10.597 10.079 3.187
449 2HD ARG 54 1HD ARG 54 11.865 10.866 2.260
450 HE ARG 54 HE ARG 54 9.967 10.709 0.425
451 1HH1 ARG 54 1HH1 ARG 54 9.780 11.666 3.785
452 2HH1 ARG 54 2HH1 ARG 54 8.416 12.717 3.551
453 1HH2 ARG 54 1HH2 ARG 54 8.186 12.110 0.089
454 2HH2 ARG 54 2HH2 ARG 54 7.520 12.977 1.439
455 H LEU 55 H LEU 55 9.225 6.666 3.168
456 HA LEU 55 HA LEU 55 8.128 9.127 4.246
457 1HB LEU 55 2HB LEU 55 7.271 7.070 2.403
458 2HB LEU 55 1HB LEU 55 6.017 7.425 3.578
459 HG LEU 55 HG LEU 55 7.369 9.458 1.802
460 1HD1 LEU 55 1HD1 LEU 55 5.917 7.962 0.543
461 2HD1 LEU 55 2HD1 LEU 55 5.209 9.574 0.663
462 3HD1 LEU 55 3HD1 LEU 55 4.603 8.265 1.680
463 1HD2 LEU 55 1HD2 LEU 55 5.102 9.705 3.778
464 2HD2 LEU 55 2HD2 LEU 55 5.578 10.954 2.624
465 3HD2 LEU 55 3HD2 LEU 55 6.697 10.451 3.891
466 H LYS 56 H LYS 56 9.271 6.671 5.786
467 HA LYS 56 HA LYS 56 7.292 5.579 7.414
468 1HB LYS 56 2HB LYS 56 9.586 4.748 7.309
469 2HB LYS 56 1HB LYS 56 10.174 6.229 8.047
470 1HG LYS 56 2HG LYS 56 8.983 5.692 10.100
471 2HG LYS 56 1HG LYS 56 8.361 4.216 9.357
472 1HD LYS 56 2HD LYS 56 10.279 3.699 10.740
473 2HD LYS 56 1HD LYS 56 10.670 3.433 9.041
474 1HE LYS 56 2HE LYS 56 11.748 5.658 8.986
475 2HE LYS 56 1HE LYS 56 11.436 5.821 10.714
476 1HZ LYS 56 1HZ LYS 56 12.785 3.814 11.077
477 2HZ LYS 56 2HZ LYS 56 13.674 5.069 10.358
478 3HZ LYS 56 3HZ LYS 56 13.145 3.763 9.416
479 H ASP 57 H ASP 57 9.093 8.579 7.676
480 HA ASP 57 HA ASP 57 8.418 9.343 10.264
481 1HB ASP 57 2HB ASP 57 9.006 11.614 9.595
482 2HB ASP 57 1HB ASP 57 10.150 10.457 8.925
483 H ARG 58 H ARG 58 6.629 9.847 7.261
484 HA ARG 58 HA ARG 58 4.587 11.391 8.618
485 1HB ARG 58 2HB ARG 58 5.214 11.944 6.311
486 2HB ARG 58 1HB ARG 58 4.731 10.339 5.781
487 1HG ARG 58 2HG ARG 58 3.051 11.977 5.193
488 2HG ARG 58 1HG ARG 58 2.408 10.847 6.384
489 1HD ARG 58 2HD ARG 58 2.664 12.448 8.136
490 2HD ARG 58 1HD ARG 58 3.543 13.551 7.078
491 HE ARG 58 HE ARG 58 0.965 13.003 6.029
492 1HH1 ARG 58 1HH1 ARG 58 2.565 14.845 8.557
493 2HH1 ARG 58 2HH1 ARG 58 1.335 16.073 8.598
494 1HH2 ARG 58 1HH2 ARG 58 -0.643 14.645 6.090
495 2HH2 ARG 58 2HH2 ARG 58 -0.476 15.980 7.202
496 H SER 59 H SER 59 5.031 8.165 7.303
497 HA SER 59 HA SER 59 2.400 7.245 7.522
498 1HB SER 59 2HB SER 59 3.967 5.988 6.231
499 2HB SER 59 1HB SER 59 5.042 5.788 7.611
500 HG SER 59 HG SER 59 2.748 4.800 8.385
501 H SER 60 H SER 60 5.002 7.357 9.910
502 HA SER 60 HA SER 60 3.923 5.558 11.757
503 1HB SER 60 2HB SER 60 5.402 6.865 13.403
504 2HB SER 60 1HB SER 60 6.191 6.108 12.018
505 HG SER 60 HG SER 60 5.460 8.842 12.309
506 H SER 61 H SER 61 3.021 8.841 11.096
507 HA SER 61 HA SER 61 1.647 9.115 13.647
508 1HB SER 61 2HB SER 61 2.845 11.062 12.706
509 2HB SER 61 1HB SER 61 1.778 11.031 11.303
510 HG SER 61 HG SER 61 0.041 11.195 13.000
511 H LEU 62 H LEU 62 0.966 7.509 10.926
512 HA LEU 62 HA LEU 62 -1.921 8.085 11.111
513 1HB LEU 62 2HB LEU 62 -0.346 7.230 8.679
514 2HB LEU 62 1HB LEU 62 -2.089 7.399 8.737
515 HG LEU 62 HG LEU 62 -0.131 9.659 9.157
516 1HD1 LEU 62 1HD1 LEU 62 -0.834 10.418 6.948
517 2HD1 LEU 62 2HD1 LEU 62 -1.818 8.967 6.759
518 3HD1 LEU 62 3HD1 LEU 62 -0.061 8.836 6.864
519 1HD2 LEU 62 1HD2 LEU 62 -2.099 11.084 8.951
520 2HD2 LEU 62 2HD2 LEU 62 -2.251 9.980 10.318
521 3HD2 LEU 62 3HD2 LEU 62 -3.126 9.656 8.821
522 H ALA 63 H ALA 63 0.429 5.604 10.132
523 HA ALA 63 HA ALA 63 -1.141 3.586 11.529
524 1HB ALA 63 1HB ALA 63 -2.039 3.567 9.248
525 2HB ALA 63 2HB ALA 63 -1.174 2.075 9.614
526 3HB ALA 63 3HB ALA 63 -0.413 3.311 8.612
527 H ASP 64 H ASP 64 0.171 2.331 12.653
528 HA ASP 64 HA ASP 64 3.003 2.584 12.495
529 1HB ASP 64 2HB ASP 64 1.316 0.538 13.963
530 2HB ASP 64 1HB ASP 64 3.043 0.778 14.196
531 HA PRO 65 HA PRO 65 4.051 -0.597 9.571
532 1HB PRO 65 2HB PRO 65 6.235 -1.400 11.393
533 2HB PRO 65 1HB PRO 65 6.318 -0.813 9.729
534 1HG PRO 65 2HG PRO 65 7.087 0.720 11.790
535 2HG PRO 65 1HG PRO 65 6.275 1.408 10.371
536 1HD PRO 65 2HD PRO 65 5.157 0.780 13.076
537 2HD PRO 65 1HD PRO 65 4.853 2.182 12.027
538 H ALA 66 H ALA 66 3.646 -2.748 9.263
539 HA ALA 66 HA ALA 66 2.237 -4.166 11.285
540 1HB ALA 66 1HB ALA 66 2.130 -5.987 9.668
541 2HB ALA 66 2HB ALA 66 3.340 -5.183 8.667
542 3HB ALA 66 3HB ALA 66 1.755 -4.444 8.899
543 H SER 67 H SER 67 5.472 -4.342 9.979
544 HA SER 67 HA SER 67 6.265 -6.063 12.190
545 1HB SER 67 2HB SER 67 6.199 -7.440 10.205
546 2HB SER 67 1HB SER 67 7.188 -6.270 9.339
547 HG SER 67 HG SER 67 7.971 -7.766 11.625
548 H ASP 68 H ASP 68 8.414 -5.124 9.895
549 HA ASP 68 HA ASP 68 9.196 -2.597 11.055
550 1HB ASP 68 2HB ASP 68 10.367 -4.260 12.492
551 2HB ASP 68 1HB ASP 68 11.124 -4.931 11.061
552 H ILE 69 H ILE 69 10.663 -5.175 9.154
553 HA ILE 69 HA ILE 69 10.519 -3.546 6.744
554 HB ILE 69 HB ILE 69 12.935 -4.372 6.247
555 1HG1 ILE 69 2HG1 ILE 69 13.107 -4.191 9.244
556 2HG1 ILE 69 1HG1 ILE 69 12.971 -5.726 8.405
557 1HG2 ILE 69 1HG2 ILE 69 13.875 -2.304 7.175
558 2HG2 ILE 69 2HG2 ILE 69 12.422 -2.096 8.155
559 3HG2 ILE 69 3HG2 ILE 69 12.315 -2.032 6.396
560 1HD1 ILE 69 1HD1 ILE 69 15.193 -3.713 8.119
561 2HD1 ILE 69 2HD1 ILE 69 15.059 -5.216 7.207
562 3HD1 ILE 69 3HD1 ILE 69 15.279 -5.264 8.957
563 H LYS 70 H LYS 70 10.688 -4.770 4.839
564 HA LYS 70 HA LYS 70 10.617 -7.696 5.195
565 1HB LYS 70 2HB LYS 70 8.357 -6.919 4.712
566 2HB LYS 70 1HB LYS 70 8.934 -6.020 3.317
567 1HG LYS 70 2HG LYS 70 9.504 -8.087 2.182
568 2HG LYS 70 1HG LYS 70 9.020 -9.023 3.599
569 1HD LYS 70 2HD LYS 70 6.741 -8.404 3.337
570 2HD LYS 70 1HD LYS 70 7.144 -7.166 2.148
571 1HE LYS 70 2HE LYS 70 6.215 -9.004 0.967
572 2HE LYS 70 1HE LYS 70 7.945 -8.993 0.644
573 1HZ LYS 70 1HZ LYS 70 6.540 -10.770 2.566
574 2HZ LYS 70 2HZ LYS 70 8.214 -10.755 2.298
575 3HZ LYS 70 3HZ LYS 70 7.154 -11.220 1.054
576 H THR 71 H THR 71 12.427 -8.472 4.362
577 HA THR 71 HA THR 71 13.886 -7.018 2.358
578 HB THR 71 HB THR 71 15.447 -9.045 2.544
579 HG1 THR 71 HG1 THR 71 14.633 -10.650 3.664
580 1HG2 THR 71 1HG2 THR 71 15.896 -6.906 3.632
581 2HG2 THR 71 2HG2 THR 71 16.367 -8.246 4.678
582 3HG2 THR 71 3HG2 THR 71 14.868 -7.369 4.988
583 H CYS 72 H CYS 72 13.860 -7.327 0.264
584 HA CYS 72 HA CYS 72 13.335 -9.628 -1.199
585 1HB CYS 72 2HB CYS 72 11.100 -9.544 -0.127
586 2HB CYS 72 1HB CYS 72 10.860 -7.924 -0.769
587 HG CYS 72 HG CYS 72 10.927 -10.880 -2.478
588 H ASP 73 H ASP 73 13.911 -9.172 -3.275
589 HA ASP 73 HA ASP 73 14.905 -6.552 -3.794
590 1HB ASP 73 2HB ASP 73 14.796 -9.078 -5.415
591 2HB ASP 73 1HB ASP 73 15.362 -7.567 -6.122
592 H HIS 74 H HIS 74 11.841 -7.777 -4.089
593 HA HIS 74 HA HIS 74 10.981 -6.493 -6.478
594 1HB HIS 74 2HB HIS 74 9.434 -7.378 -4.033
595 2HB HIS 74 1HB HIS 74 8.684 -6.751 -5.494
596 HD1 HIS 74 HD1 HIS 74 7.620 -8.689 -6.602
597 HD2 HIS 74 HD2 HIS 74 11.417 -9.611 -5.178
598 HE1 HIS 74 HE1 HIS 74 8.053 -11.074 -7.289
599 HE2 HIS 74 HE2 HIS 74 10.324 -11.630 -6.370
600 H TYR 75 H TYR 75 11.582 -5.455 -3.245
601 HA TYR 75 HA TYR 75 10.319 -2.851 -3.779
602 1HB TYR 75 2HB TYR 75 11.316 -3.753 -1.083
603 2HB TYR 75 1HB TYR 75 10.092 -2.543 -1.454
604 HD1 TYR 75 HD1 TYR 75 10.589 -5.789 -0.284
605 HD2 TYR 75 HD2 TYR 75 8.000 -3.532 -2.796
606 HE1 TYR 75 HE1 TYR 75 8.852 -7.509 -0.033
607 HE2 TYR 75 HE2 TYR 75 6.257 -5.245 -2.544
608 HH TYR 75 HH TYR 75 6.133 -7.664 -2.015
609 H GLN 76 H GLN 76 12.305 -2.630 -5.204
610 HA GLN 76 HA GLN 76 14.851 -2.423 -4.003
611 1HB GLN 76 2HB GLN 76 15.485 -1.317 -6.150
612 2HB GLN 76 1HB GLN 76 14.779 -2.914 -6.316
613 1HG GLN 76 2HG GLN 76 12.671 -1.952 -6.985
614 2HG GLN 76 1HG GLN 76 13.293 -0.325 -6.712
615 1HE2 GLN 76 1HE2 GLN 76 13.394 -3.127 -8.766
616 2HE2 GLN 76 2HE2 GLN 76 14.158 -2.361 -10.113
617 H ASN 77 H ASN 77 12.488 0.013 -5.025
618 HA ASN 77 HA ASN 77 12.420 2.265 -4.786
619 1HB ASN 77 2HB ASN 77 13.743 1.595 -2.140
620 2HB ASN 77 1HB ASN 77 13.033 3.155 -2.539
621 1HD2 ASN 77 1HD2 ASN 77 12.415 -0.153 -1.706
622 2HD2 ASN 77 2HD2 ASN 77 10.723 0.031 -1.408
623 H PHE 78 H PHE 78 15.184 2.461 -2.779
624 HA PHE 78 HA PHE 78 17.118 2.785 -4.859
625 1HB PHE 78 2HB PHE 78 16.160 5.226 -3.358
626 2HB PHE 78 1HB PHE 78 17.721 5.155 -4.164
627 HD1 PHE 78 HD1 PHE 78 14.252 5.863 -4.518
628 HD2 PHE 78 HD2 PHE 78 17.720 4.663 -6.676
629 HE1 PHE 78 HE1 PHE 78 13.185 6.567 -6.619
630 HE2 PHE 78 HE2 PHE 78 16.656 5.368 -8.779
631 HZ PHE 78 HZ PHE 78 14.386 6.321 -8.753
632 HA PRO 79 HA PRO 79 18.815 3.682 -0.121
633 1HB PRO 79 2HB PRO 79 16.874 1.827 1.042
634 2HB PRO 79 1HB PRO 79 17.405 3.406 1.617
635 1HG PRO 79 2HG PRO 79 15.030 2.741 0.101
636 2HG PRO 79 1HG PRO 79 15.482 4.288 0.830
637 1HD PRO 79 2HD PRO 79 15.343 3.848 -1.861
638 2HD PRO 79 1HD PRO 79 16.394 5.066 -1.112
639 H LEU 80 H LEU 80 17.139 0.570 -0.481
640 HA LEU 80 HA LEU 80 17.876 -1.598 -0.558
641 1HB LEU 80 2HB LEU 80 19.395 -0.452 -2.382
642 2HB LEU 80 1HB LEU 80 20.665 -0.683 -1.195
643 HG LEU 80 HG LEU 80 19.061 -2.802 -2.619
644 1HD1 LEU 80 1HD1 LEU 80 21.266 -3.535 -3.379
645 2HD1 LEU 80 2HD1 LEU 80 22.004 -2.180 -2.526
646 3HD1 LEU 80 3HD1 LEU 80 20.912 -1.880 -3.879
647 1HD2 LEU 80 1HD2 LEU 80 20.993 -3.135 -0.339
648 2HD2 LEU 80 2HD2 LEU 80 20.404 -4.441 -1.367
649 3HD2 LEU 80 3HD2 LEU 80 19.277 -3.544 -0.347
650 H TYR 81 H TYR 81 18.165 -2.770 1.220
651 HA TYR 81 HA TYR 81 19.418 -1.664 3.542
652 1HB TYR 81 2HB TYR 81 17.428 -3.198 3.574
653 2HB TYR 81 1HB TYR 81 18.487 -4.509 3.072
654 HD1 TYR 81 HD1 TYR 81 19.794 -5.691 4.668
655 HD2 TYR 81 HD2 TYR 81 17.782 -2.117 5.800
656 HE1 TYR 81 HE1 TYR 81 20.270 -6.176 7.033
657 HE2 TYR 81 HE2 TYR 81 18.257 -2.590 8.163
658 HH TYR 81 HH TYR 81 18.793 -4.420 9.610
659 H LEU 82 H LEU 82 21.546 -1.553 3.738
660 HA LEU 82 HA LEU 82 23.385 -3.105 2.247
661 1HB LEU 82 2HB LEU 82 23.572 -1.162 4.503
662 2HB LEU 82 1HB LEU 82 24.957 -2.180 4.173
663 HG LEU 82 HG LEU 82 25.015 0.111 3.133
664 1HD1 LEU 82 1HD1 LEU 82 25.894 -0.681 0.996
665 2HD1 LEU 82 2HD1 LEU 82 25.152 -2.256 1.277
666 3HD1 LEU 82 3HD1 LEU 82 26.439 -1.685 2.339
667 1HD2 LEU 82 1HD2 LEU 82 23.738 0.473 1.087
668 2HD2 LEU 82 2HD2 LEU 82 22.664 0.259 2.471
669 3HD2 LEU 82 3HD2 LEU 82 22.903 -1.063 1.325
670 H GLY 83 H GLY 83 22.919 -3.015 5.783
671 1HA GLY 83 2HA GLY 83 22.905 -4.708 7.343
672 2HA GLY 83 1HA GLY 83 22.675 -5.844 6.023
673 H GLY 84 H GLY 84 24.532 -6.621 4.898
674 1HA GLY 84 2HA GLY 84 27.069 -6.295 6.374
675 2HA GLY 84 1HA GLY 84 26.469 -7.896 5.954
676 H GLU 85 H GLU 85 27.682 -8.687 4.354
677 HA GLU 85 HA GLU 85 28.820 -6.946 2.342
678 1HB GLU 85 2HB GLU 85 29.913 -9.048 3.312
679 2HB GLU 85 1HB GLU 85 28.799 -9.959 2.305
680 1HG GLU 85 2HG GLU 85 29.713 -9.012 0.315
681 2HG GLU 85 1HG GLU 85 30.714 -7.900 1.246
682 H THR 86 H THR 86 26.565 -9.684 2.369
683 HA THR 86 HA THR 86 25.561 -9.096 -0.254
684 HB THR 86 HB THR 86 23.719 -10.767 0.618
685 HG1 THR 86 HG1 THR 86 24.071 -11.188 2.681
686 1HG2 THR 86 1HG2 THR 86 25.392 -11.308 -1.084
687 2HG2 THR 86 2HG2 THR 86 25.176 -12.655 0.034
688 3HG2 THR 86 3HG2 THR 86 26.588 -11.609 0.177
689 H HIS 87 H HIS 87 23.616 -8.068 -0.784
690 HA HIS 87 HA HIS 87 22.489 -6.469 1.429
691 1HB HIS 87 2HB HIS 87 22.649 -5.623 -1.469
692 2HB HIS 87 1HB HIS 87 22.126 -4.654 -0.104
693 HD1 HIS 87 HD1 HIS 87 24.602 -4.156 -2.152
694 HD2 HIS 87 HD2 HIS 87 24.763 -5.350 1.830
695 HE1 HIS 87 HE1 HIS 87 26.880 -3.490 -1.332
696 HE2 HIS 87 HE2 HIS 87 26.969 -4.231 1.071
697 H GLU 88 H GLU 88 20.236 -5.747 1.121
698 HA GLU 88 HA GLU 88 18.635 -7.472 -0.628
699 1HB GLU 88 2HB GLU 88 18.207 -7.161 2.350
700 2HB GLU 88 1HB GLU 88 16.994 -7.798 1.253
701 1HG GLU 88 2HG GLU 88 19.703 -9.015 1.707
702 2HG GLU 88 1HG GLU 88 18.215 -9.518 2.504
703 H HIS 89 H HIS 89 17.105 -6.296 -1.642
704 HA HIS 89 HA HIS 89 16.605 -3.579 -0.889
705 1HB HIS 89 2HB HIS 89 15.190 -5.429 -2.824
706 2HB HIS 89 1HB HIS 89 14.788 -3.725 -2.621
707 HD1 HIS 89 HD1 HIS 89 17.237 -6.004 -4.231
708 HD2 HIS 89 HD2 HIS 89 16.794 -1.924 -3.548
709 HE1 HIS 89 HE1 HIS 89 18.848 -4.868 -5.795
710 HE2 HIS 89 HE2 HIS 89 18.424 -2.401 -5.500
711 H TYR 90 H TYR 90 14.597 -2.754 0.041
712 HA TYR 90 HA TYR 90 13.039 -4.771 1.464
713 1HB TYR 90 2HB TYR 90 13.520 -3.932 3.645
714 2HB TYR 90 1HB TYR 90 15.068 -4.202 2.853
715 HD1 TYR 90 HD1 TYR 90 12.929 -1.812 4.470
716 HD2 TYR 90 HD2 TYR 90 16.307 -2.192 1.913
717 HE1 TYR 90 HE1 TYR 90 13.556 0.510 4.968
718 HE2 TYR 90 HE2 TYR 90 16.945 0.131 2.407
719 HH TYR 90 HH TYR 90 15.998 2.173 3.204
720 H GLY 91 H GLY 91 11.149 -3.972 2.468
721 1HA GLY 91 2HA GLY 91 10.450 -1.166 1.959
722 2HA GLY 91 1HA GLY 91 9.353 -2.434 1.419
723 H ILE 92 H ILE 92 8.451 -0.537 3.213
724 HA ILE 92 HA ILE 92 8.563 -1.873 5.827
725 HB ILE 92 HB ILE 92 7.521 0.886 5.155
726 1HG1 ILE 92 2HG1 ILE 92 10.100 -0.003 6.471
727 2HG1 ILE 92 1HG1 ILE 92 9.949 0.711 4.870
728 1HG2 ILE 92 1HG2 ILE 92 7.963 -0.456 7.822
729 2HG2 ILE 92 2HG2 ILE 92 6.403 -0.069 7.093
730 3HG2 ILE 92 3HG2 ILE 92 7.494 1.228 7.586
731 1HD1 ILE 92 1HD1 ILE 92 9.300 2.075 7.471
732 2HD1 ILE 92 2HD1 ILE 92 9.168 2.791 5.864
733 3HD1 ILE 92 3HD1 ILE 92 10.747 2.326 6.495
734 HA PRO 93 HA PRO 93 4.559 -3.485 4.645
735 1HB PRO 93 2HB PRO 93 4.339 -5.244 6.682
736 2HB PRO 93 1HB PRO 93 5.399 -5.521 5.296
737 1HG PRO 93 2HG PRO 93 6.080 -4.532 8.035
738 2HG PRO 93 1HG PRO 93 6.948 -5.694 7.018
739 1HD PRO 93 2HD PRO 93 7.672 -3.077 7.272
740 2HD PRO 93 1HD PRO 93 8.002 -4.048 5.824
741 H HIS 94 H HIS 94 2.471 -3.168 5.241
742 HA HIS 94 HA HIS 94 1.841 -2.143 7.917
743 1HB HIS 94 2HB HIS 94 1.006 -0.826 5.318
744 2HB HIS 94 1HB HIS 94 0.319 -0.438 6.887
745 HD1 HIS 94 HD1 HIS 94 3.600 -0.229 5.011
746 HD2 HIS 94 HD2 HIS 94 1.693 1.443 8.300
747 HE1 HIS 94 HE1 HIS 94 5.066 1.673 5.745
748 HE2 HIS 94 HE2 HIS 94 3.748 2.825 7.564
749 H GLY 95 H GLY 95 -0.665 -1.998 8.096
750 1HA GLY 95 2HA GLY 95 -2.299 -3.548 6.384
751 2HA GLY 95 1HA GLY 95 -1.762 -4.532 7.742
752 H PHE 96 H PHE 96 -4.458 -3.954 7.345
753 HA PHE 96 HA PHE 96 -5.092 -2.100 9.526
754 1HB PHE 96 2HB PHE 96 -6.427 -1.921 6.811
755 2HB PHE 96 1HB PHE 96 -6.665 -0.848 8.188
756 HD1 PHE 96 HD1 PHE 96 -4.786 0.647 8.904
757 HD2 PHE 96 HD2 PHE 96 -4.694 -1.562 5.269
758 HE1 PHE 96 HE1 PHE 96 -2.991 2.105 8.066
759 HE2 PHE 96 HE2 PHE 96 -2.902 -0.107 4.425
760 HZ PHE 96 HZ PHE 96 -2.047 1.729 5.824
761 H SER 97 H SER 97 -7.877 -2.089 9.068
762 HA SER 97 HA SER 97 -8.759 -4.814 8.591
763 1HB SER 97 2HB SER 97 -8.870 -3.506 11.287
764 2HB SER 97 1HB SER 97 -10.147 -4.619 10.808
765 HG SER 97 HG SER 97 -7.565 -5.132 11.567
766 H SER 98 H SER 98 -9.072 -1.866 7.727
767 HA SER 98 HA SER 98 -11.836 -2.150 6.997
768 1HB SER 98 2HB SER 98 -12.012 -1.057 9.222
769 2HB SER 98 1HB SER 98 -10.992 0.257 8.637
770 HG SER 98 HG SER 98 -13.642 -0.120 8.311
771 H ARG 99 H ARG 99 -11.899 -1.605 4.916
772 HA ARG 99 HA ARG 99 -9.756 -0.382 3.589
773 1HB ARG 99 2HB ARG 99 -11.277 -0.230 1.630
774 2HB ARG 99 1HB ARG 99 -11.188 -1.830 2.346
775 1HG ARG 99 2HG ARG 99 -13.339 -1.487 3.425
776 2HG ARG 99 1HG ARG 99 -13.420 0.150 2.762
777 1HD ARG 99 2HD ARG 99 -13.466 -0.708 0.513
778 2HD ARG 99 1HD ARG 99 -13.198 -2.351 1.089
779 HE ARG 99 HE ARG 99 -15.612 -0.980 1.989
780 1HH1 ARG 99 1HH1 ARG 99 -14.115 -3.319 -0.153
781 2HH1 ARG 99 2HH1 ARG 99 -15.607 -4.150 -0.490
782 1HH2 ARG 99 1HH2 ARG 99 -17.586 -2.036 1.514
783 2HH2 ARG 99 2HH2 ARG 99 -17.588 -3.415 0.446
784 H ILE 100 H ILE 100 -12.757 0.983 4.850
785 HA ILE 100 HA ILE 100 -12.497 3.543 3.724
786 HB ILE 100 HB ILE 100 -14.460 2.409 5.106
787 1HG1 ILE 100 2HG1 ILE 100 -14.498 4.571 3.811
788 2HG1 ILE 100 1HG1 ILE 100 -15.577 4.516 5.199
789 1HG2 ILE 100 1HG2 ILE 100 -14.706 3.415 7.330
790 2HG2 ILE 100 2HG2 ILE 100 -13.072 4.065 7.199
791 3HG2 ILE 100 3HG2 ILE 100 -13.327 2.320 7.230
792 1HD1 ILE 100 1HD1 ILE 100 -14.464 6.670 4.981
793 2HD1 ILE 100 2HD1 ILE 100 -12.892 5.879 5.114
794 3HD1 ILE 100 3HD1 ILE 100 -14.008 5.860 6.480
795 H ALA 101 H ALA 101 -11.043 2.058 6.557
796 HA ALA 101 HA ALA 101 -9.905 4.428 7.635
797 1HB ALA 101 1HB ALA 101 -9.001 1.560 7.943
798 2HB ALA 101 2HB ALA 101 -10.149 2.404 8.983
799 3HB ALA 101 3HB ALA 101 -8.466 2.923 8.927
800 H LEU 102 H LEU 102 -8.687 1.876 5.516
801 HA LEU 102 HA LEU 102 -6.142 2.881 5.000
802 1HB LEU 102 2HB LEU 102 -6.755 0.676 4.284
803 2HB LEU 102 1HB LEU 102 -8.047 1.299 3.280
804 HG LEU 102 HG LEU 102 -6.406 2.294 1.755
805 1HD1 LEU 102 1HD1 LEU 102 -4.029 1.786 1.987
806 2HD1 LEU 102 2HD1 LEU 102 -4.339 1.003 3.536
807 3HD1 LEU 102 3HD1 LEU 102 -4.615 2.738 3.353
808 1HD2 LEU 102 1HD2 LEU 102 -5.513 0.208 0.835
809 2HD2 LEU 102 2HD2 LEU 102 -7.197 0.036 1.329
810 3HD2 LEU 102 3HD2 LEU 102 -5.911 -0.622 2.338
811 H GLU 103 H GLU 103 -9.249 3.610 3.487
812 HA GLU 103 HA GLU 103 -8.438 5.292 1.435
813 1HB GLU 103 2HB GLU 103 -10.802 4.471 2.027
814 2HB GLU 103 1HB GLU 103 -10.855 5.812 3.160
815 1HG GLU 103 2HG GLU 103 -10.423 7.366 1.284
816 2HG GLU 103 1HG GLU 103 -10.531 5.995 0.178
817 H ARG 104 H ARG 104 -9.245 6.101 4.789
818 HA ARG 104 HA ARG 104 -8.723 8.865 4.592
819 1HB ARG 104 2HB ARG 104 -8.655 7.062 7.015
820 2HB ARG 104 1HB ARG 104 -8.666 8.820 7.056
821 1HG ARG 104 2HG ARG 104 -10.866 8.950 6.305
822 2HG ARG 104 1HG ARG 104 -10.851 7.296 5.690
823 1HD ARG 104 2HD ARG 104 -12.163 7.562 7.776
824 2HD ARG 104 1HD ARG 104 -10.843 6.403 7.917
825 HE ARG 104 HE ARG 104 -10.034 9.002 8.769
826 1HH1 ARG 104 1HH1 ARG 104 -11.888 6.203 9.778
827 2HH1 ARG 104 2HH1 ARG 104 -11.620 6.469 11.472
828 1HH2 ARG 104 1HH2 ARG 104 -9.672 9.353 10.999
829 2HH2 ARG 104 2HH2 ARG 104 -10.353 8.257 12.167
830 H TYR 105 H TYR 105 -6.678 6.116 5.459
831 HA TYR 105 HA TYR 105 -4.479 7.690 6.301
832 1HB TYR 105 2HB TYR 105 -4.686 4.805 5.446
833 2HB TYR 105 1HB TYR 105 -3.209 5.533 6.053
834 HD1 TYR 105 HD1 TYR 105 -5.136 3.228 7.137
835 HD2 TYR 105 HD2 TYR 105 -4.413 7.285 8.182
836 HE1 TYR 105 HE1 TYR 105 -5.866 2.758 9.436
837 HE2 TYR 105 HE2 TYR 105 -5.138 6.829 10.486
838 HH TYR 105 HH TYR 105 -5.374 3.810 11.768
839 H LEU 106 H LEU 106 -5.315 6.113 3.226
840 HA LEU 106 HA LEU 106 -3.036 6.885 1.779
841 1HB LEU 106 2HB LEU 106 -5.899 6.592 0.846
842 2HB LEU 106 1HB LEU 106 -4.527 6.788 -0.227
843 HG LEU 106 HG LEU 106 -4.962 4.459 1.645
844 1HD1 LEU 106 1HD1 LEU 106 -5.341 3.190 -0.424
845 2HD1 LEU 106 2HD1 LEU 106 -5.244 4.690 -1.350
846 3HD1 LEU 106 3HD1 LEU 106 -6.551 4.452 -0.189
847 1HD2 LEU 106 1HD2 LEU 106 -3.066 3.458 0.450
848 2HD2 LEU 106 2HD2 LEU 106 -2.599 4.926 1.307
849 3HD2 LEU 106 3HD2 LEU 106 -2.839 4.964 -0.440
850 H ASN 107 H ASN 107 -6.056 8.524 2.470
851 HA ASN 107 HA ASN 107 -5.698 10.840 0.951
852 1HB ASN 107 2HB ASN 107 -7.341 10.082 3.317
853 2HB ASN 107 1HB ASN 107 -7.216 11.789 2.923
854 1HD2 ASN 107 1HD2 ASN 107 -9.512 9.972 2.800
855 2HD2 ASN 107 2HD2 ASN 107 -10.080 10.026 1.170
856 H GLY 108 H GLY 108 -4.438 9.975 4.102
857 1HA GLY 108 2HA GLY 108 -3.459 12.686 4.545
858 2HA GLY 108 1HA GLY 108 -3.336 11.340 5.667
859 H LEU 109 H LEU 109 -2.182 9.507 3.742
860 HA LEU 109 HA LEU 109 0.551 10.331 4.122
861 1HB LEU 109 2HB LEU 109 -0.314 8.022 4.554
862 2HB LEU 109 1HB LEU 109 -0.489 7.817 2.823
863 HG LEU 109 HG LEU 109 1.905 7.990 2.507
864 1HD1 LEU 109 1HD1 LEU 109 2.403 9.617 4.251
865 2HD1 LEU 109 2HD1 LEU 109 3.429 8.190 4.411
866 3HD1 LEU 109 3HD1 LEU 109 2.051 8.413 5.490
867 1HD2 LEU 109 1HD2 LEU 109 2.616 5.989 3.742
868 2HD2 LEU 109 2HD2 LEU 109 1.010 5.796 3.038
869 3HD2 LEU 109 3HD2 LEU 109 1.182 6.121 4.762
870 H PHE 110 H PHE 110 -1.516 9.603 1.307
871 HA PHE 110 HA PHE 110 0.557 10.829 -0.410
872 1HB PHE 110 2HB PHE 110 -1.346 8.629 -1.239
873 2HB PHE 110 1HB PHE 110 -0.028 9.298 -2.188
874 HD1 PHE 110 HD1 PHE 110 -1.026 6.807 0.154
875 HD2 PHE 110 HD2 PHE 110 2.344 8.898 -1.380
876 HE1 PHE 110 HE1 PHE 110 0.450 5.023 0.978
877 HE2 PHE 110 HE2 PHE 110 3.828 7.118 -0.556
878 HZ PHE 110 HZ PHE 110 2.880 5.172 0.618
879 H GLY 111 H GLY 111 -2.279 11.485 0.893
880 1HA GLY 111 2HA GLY 111 -4.098 11.706 -1.251
881 2HA GLY 111 1HA GLY 111 -4.264 12.470 0.319
882 H ASP 112 H ASP 112 -2.060 14.188 0.291
883 HA ASP 112 HA ASP 112 -2.124 15.840 -1.992
884 1HB ASP 112 2HB ASP 112 -4.369 16.275 -0.895
885 2HB ASP 112 1HB ASP 112 -3.491 16.836 0.519
Start of MODEL 10
1 1H MET 1 1HT MET 1 -10.107 -6.432 12.952
2 2H MET 1 2HT MET 1 -9.660 -8.065 12.852
3 3H MET 1 3HT MET 1 -11.290 -7.642 13.036
4 HA MET 1 HA MET 1 -10.683 -8.335 10.764
5 1HB MET 1 2HB MET 1 -11.791 -5.600 11.331
6 2HB MET 1 1HB MET 1 -11.649 -6.187 9.682
7 1HG MET 1 2HG MET 1 -13.071 -8.098 10.259
8 2HG MET 1 1HG MET 1 -13.240 -7.461 11.895
9 1HE MET 1 1HE MET 1 -15.711 -8.198 10.009
10 2HE MET 1 2HE MET 1 -16.779 -6.823 10.304
11 3HE MET 1 3HE MET 1 -15.897 -7.565 11.645
12 H TYR 2 H TYR 2 -9.479 -8.052 8.967
13 HA TYR 2 HA TYR 2 -7.793 -5.668 8.773
14 1HB TYR 2 2HB TYR 2 -6.936 -8.517 8.196
15 2HB TYR 2 1HB TYR 2 -6.025 -7.099 7.684
16 HD1 TYR 2 HD1 TYR 2 -7.202 -9.002 10.622
17 HD2 TYR 2 HD2 TYR 2 -4.618 -5.941 9.196
18 HE1 TYR 2 HE1 TYR 2 -6.053 -8.978 12.786
19 HE2 TYR 2 HE2 TYR 2 -3.449 -5.905 11.356
20 HH TYR 2 HH TYR 2 -3.783 -6.506 13.652
21 H LEU 3 H LEU 3 -6.782 -5.903 6.319
22 HA LEU 3 HA LEU 3 -9.156 -6.225 4.628
23 1HB LEU 3 2HB LEU 3 -6.599 -4.693 4.158
24 2HB LEU 3 1HB LEU 3 -7.895 -4.847 2.985
25 HG LEU 3 HG LEU 3 -8.087 -3.496 5.679
26 1HD1 LEU 3 1HD1 LEU 3 -8.400 -1.462 4.370
27 2HD1 LEU 3 2HD1 LEU 3 -8.161 -2.379 2.881
28 3HD1 LEU 3 3HD1 LEU 3 -6.837 -2.205 4.034
29 1HD2 LEU 3 1HD2 LEU 3 -10.171 -4.619 5.092
30 2HD2 LEU 3 2HD2 LEU 3 -10.165 -3.822 3.517
31 3HD2 LEU 3 3HD2 LEU 3 -10.341 -2.867 4.989
32 H ARG 4 H ARG 4 -8.108 -6.554 2.187
33 HA ARG 4 HA ARG 4 -6.453 -8.983 2.370
34 1HB ARG 4 2HB ARG 4 -8.885 -8.439 0.666
35 2HB ARG 4 1HB ARG 4 -7.687 -9.624 0.175
36 1HG ARG 4 2HG ARG 4 -9.482 -10.760 1.265
37 2HG ARG 4 1HG ARG 4 -8.068 -10.825 2.314
38 1HD ARG 4 2HD ARG 4 -8.972 -8.959 3.625
39 2HD ARG 4 1HD ARG 4 -10.394 -8.924 2.586
40 HE ARG 4 HE ARG 4 -10.896 -11.190 3.409
41 1HH1 ARG 4 1HH1 ARG 4 -8.668 -9.209 5.263
42 2HH1 ARG 4 2HH1 ARG 4 -9.043 -9.976 6.776
43 1HH2 ARG 4 1HH2 ARG 4 -11.398 -12.186 5.419
44 2HH2 ARG 4 2HH2 ARG 4 -10.573 -11.663 6.855
45 HA PRO 5 HA PRO 5 -3.517 -7.121 -0.367
46 1HB PRO 5 2HB PRO 5 -3.372 -9.128 -2.332
47 2HB PRO 5 1HB PRO 5 -2.366 -9.012 -0.884
48 1HG PRO 5 2HG PRO 5 -4.801 -10.654 -1.381
49 2HG PRO 5 1HG PRO 5 -3.366 -11.029 -0.409
50 1HD PRO 5 2HD PRO 5 -5.686 -10.344 0.742
51 2HD PRO 5 1HD PRO 5 -4.131 -9.811 1.416
52 H ASP 6 H ASP 6 -6.006 -8.890 -2.205
53 HA ASP 6 HA ASP 6 -6.083 -7.191 -4.431
54 1HB ASP 6 2HB ASP 6 -7.093 -9.371 -4.552
55 2HB ASP 6 1HB ASP 6 -8.199 -8.989 -3.237
56 H GLU 7 H GLU 7 -7.871 -7.128 -1.395
57 HA GLU 7 HA GLU 7 -9.729 -5.126 -2.011
58 1HB GLU 7 2HB GLU 7 -9.783 -6.640 -0.008
59 2HB GLU 7 1HB GLU 7 -8.491 -5.679 0.691
60 1HG GLU 7 2HG GLU 7 -10.562 -5.000 1.652
61 2HG GLU 7 1HG GLU 7 -9.973 -3.705 0.608
62 H VAL 8 H VAL 8 -6.469 -4.920 -0.626
63 HA VAL 8 HA VAL 8 -6.436 -2.154 -0.156
64 HB VAL 8 HB VAL 8 -4.130 -3.989 -0.851
65 1HG1 VAL 8 1HG1 VAL 8 -2.710 -2.286 0.218
66 2HG1 VAL 8 2HG1 VAL 8 -4.111 -1.224 0.366
67 3HG1 VAL 8 3HG1 VAL 8 -3.505 -1.668 -1.230
68 1HG2 VAL 8 1HG2 VAL 8 -5.173 -3.042 1.815
69 2HG2 VAL 8 2HG2 VAL 8 -3.753 -4.057 1.560
70 3HG2 VAL 8 3HG2 VAL 8 -5.358 -4.664 1.149
71 H ALA 9 H ALA 9 -5.375 -4.031 -2.981
72 HA ALA 9 HA ALA 9 -4.563 -1.882 -4.586
73 1HB ALA 9 1HB ALA 9 -5.743 -4.523 -5.448
74 2HB ALA 9 2HB ALA 9 -4.044 -4.225 -5.081
75 3HB ALA 9 3HB ALA 9 -4.802 -3.427 -6.459
76 H ARG 10 H ARG 10 -7.706 -3.401 -4.150
77 HA ARG 10 HA ARG 10 -9.184 -2.035 -6.084
78 1HB ARG 10 2HB ARG 10 -10.011 -3.975 -4.857
79 2HB ARG 10 1HB ARG 10 -10.010 -3.053 -3.363
80 1HG ARG 10 2HG ARG 10 -11.734 -1.566 -4.315
81 2HG ARG 10 1HG ARG 10 -11.772 -2.588 -5.756
82 1HD ARG 10 2HD ARG 10 -12.454 -4.493 -4.436
83 2HD ARG 10 1HD ARG 10 -12.304 -3.554 -2.952
84 HE ARG 10 HE ARG 10 -14.217 -2.654 -4.988
85 1HH1 ARG 10 1HH1 ARG 10 -13.581 -4.119 -1.862
86 2HH1 ARG 10 2HH1 ARG 10 -15.224 -3.958 -1.315
87 1HH2 ARG 10 1HH2 ARG 10 -16.394 -2.461 -4.260
88 2HH2 ARG 10 2HH2 ARG 10 -16.815 -3.023 -2.666
89 H VAL 11 H VAL 11 -8.512 -1.182 -2.697
90 HA VAL 11 HA VAL 11 -9.989 1.249 -2.751
91 HB VAL 11 HB VAL 11 -7.731 0.461 -0.893
92 1HG1 VAL 11 1HG1 VAL 11 -9.876 2.570 -0.607
93 2HG1 VAL 11 2HG1 VAL 11 -8.148 2.853 -0.826
94 3HG1 VAL 11 3HG1 VAL 11 -8.736 2.094 0.653
95 1HG2 VAL 11 1HG2 VAL 11 -9.582 -1.149 -0.882
96 2HG2 VAL 11 2HG2 VAL 11 -10.711 0.162 -0.543
97 3HG2 VAL 11 3HG2 VAL 11 -9.474 -0.262 0.638
98 H LEU 12 H LEU 12 -6.630 0.420 -3.449
99 HA LEU 12 HA LEU 12 -5.616 3.019 -3.726
100 1HB LEU 12 2HB LEU 12 -4.891 0.485 -5.198
101 2HB LEU 12 1HB LEU 12 -3.965 1.971 -5.288
102 HG LEU 12 HG LEU 12 -4.430 0.361 -2.775
103 1HD1 LEU 12 1HD1 LEU 12 -1.971 0.642 -4.494
104 2HD1 LEU 12 2HD1 LEU 12 -2.983 -0.795 -4.358
105 3HD1 LEU 12 3HD1 LEU 12 -2.071 -0.225 -2.963
106 1HD2 LEU 12 1HD2 LEU 12 -2.690 2.769 -3.290
107 2HD2 LEU 12 2HD2 LEU 12 -2.756 1.844 -1.789
108 3HD2 LEU 12 3HD2 LEU 12 -4.172 2.744 -2.334
109 H GLU 13 H GLU 13 -7.158 0.883 -6.128
110 HA GLU 13 HA GLU 13 -7.122 2.672 -8.274
111 1HB GLU 13 2HB GLU 13 -9.094 0.478 -7.618
112 2HB GLU 13 1HB GLU 13 -8.990 1.301 -9.163
113 1HG GLU 13 2HG GLU 13 -6.607 0.536 -9.302
114 2HG GLU 13 1HG GLU 13 -6.933 -0.469 -7.892
115 H LYS 14 H LYS 14 -9.193 2.484 -5.479
116 HA LYS 14 HA LYS 14 -11.229 4.241 -6.376
117 1HB LYS 14 2HB LYS 14 -10.462 2.952 -3.883
118 2HB LYS 14 1HB LYS 14 -11.045 4.589 -3.616
119 1HG LYS 14 2HG LYS 14 -12.533 2.441 -5.113
120 2HG LYS 14 1HG LYS 14 -12.816 2.905 -3.434
121 1HD LYS 14 2HD LYS 14 -13.091 4.726 -5.824
122 2HD LYS 14 1HD LYS 14 -14.426 3.948 -4.974
123 1HE LYS 14 2HE LYS 14 -12.478 5.899 -3.744
124 2HE LYS 14 1HE LYS 14 -14.100 6.303 -4.299
125 1HZ LYS 14 1HZ LYS 14 -14.861 4.510 -2.685
126 2HZ LYS 14 2HZ LYS 14 -14.320 5.972 -2.025
127 3HZ LYS 14 3HZ LYS 14 -13.307 4.612 -2.001
128 H ALA 15 H ALA 15 -8.038 4.749 -5.086
129 HA ALA 15 HA ALA 15 -8.525 7.603 -4.712
130 1HB ALA 15 1HB ALA 15 -7.259 6.434 -2.989
131 2HB ALA 15 2HB ALA 15 -6.266 7.661 -3.775
132 3HB ALA 15 3HB ALA 15 -6.052 5.959 -4.184
133 H GLY 16 H GLY 16 -7.970 5.739 -7.277
134 1HA GLY 16 2HA GLY 16 -7.492 6.410 -9.444
135 2HA GLY 16 1HA GLY 16 -6.955 7.960 -8.816
136 H PHE 17 H PHE 17 -5.799 4.765 -7.873
137 HA PHE 17 HA PHE 17 -3.083 5.602 -8.452
138 1HB PHE 17 2HB PHE 17 -4.358 3.387 -6.940
139 2HB PHE 17 1HB PHE 17 -2.746 3.117 -7.580
140 HD1 PHE 17 HD1 PHE 17 -4.724 5.446 -5.471
141 HD2 PHE 17 HD2 PHE 17 -0.874 3.911 -6.439
142 HE1 PHE 17 HE1 PHE 17 -3.771 6.629 -3.538
143 HE2 PHE 17 HE2 PHE 17 0.087 5.092 -4.504
144 HZ PHE 17 HZ PHE 17 -1.365 6.454 -3.054
145 H THR 18 H THR 18 -1.595 4.192 -9.586
146 HA THR 18 HA THR 18 -2.844 2.576 -11.709
147 HB THR 18 HB THR 18 -1.003 3.420 -13.231
148 HG1 THR 18 HG1 THR 18 -0.617 5.081 -10.981
149 1HG2 THR 18 1HG2 THR 18 -2.990 5.464 -12.230
150 2HG2 THR 18 2HG2 THR 18 -3.300 4.228 -13.449
151 3HG2 THR 18 3HG2 THR 18 -2.148 5.521 -13.781
152 H VAL 19 H VAL 19 -0.961 1.312 -12.874
153 HA VAL 19 HA VAL 19 0.656 0.073 -10.751
154 HB VAL 19 HB VAL 19 -1.008 -1.423 -11.775
155 1HG1 VAL 19 1HG1 VAL 19 -1.118 -0.348 -13.975
156 2HG1 VAL 19 2HG1 VAL 19 -0.866 -2.090 -14.100
157 3HG1 VAL 19 3HG1 VAL 19 0.484 -0.983 -14.354
158 1HG2 VAL 19 1HG2 VAL 19 1.816 -2.147 -12.545
159 2HG2 VAL 19 2HG2 VAL 19 0.470 -3.275 -12.391
160 3HG2 VAL 19 3HG2 VAL 19 1.068 -2.413 -10.972
161 H ASP 20 H ASP 20 2.870 -0.152 -11.003
162 HA ASP 20 HA ASP 20 4.017 0.816 -13.546
163 1HB ASP 20 2HB ASP 20 6.103 1.240 -12.365
164 2HB ASP 20 1HB ASP 20 4.786 2.099 -11.574
165 H VAL 21 H VAL 21 4.022 -1.746 -11.180
166 HA VAL 21 HA VAL 21 5.177 -3.529 -13.173
167 HB VAL 21 HB VAL 21 7.039 -2.659 -11.731
168 1HG1 VAL 21 1HG1 VAL 21 5.936 -2.391 -9.624
169 2HG1 VAL 21 2HG1 VAL 21 7.228 -3.576 -9.430
170 3HG1 VAL 21 3HG1 VAL 21 5.552 -4.111 -9.549
171 1HG2 VAL 21 1HG2 VAL 21 6.487 -5.611 -11.511
172 2HG2 VAL 21 2HG2 VAL 21 8.058 -4.831 -11.325
173 3HG2 VAL 21 3HG2 VAL 21 7.229 -4.782 -12.880
174 H VAL 22 H VAL 22 4.651 -5.758 -12.796
175 HA VAL 22 HA VAL 22 2.829 -6.258 -10.574
176 HB VAL 22 HB VAL 22 1.300 -5.722 -12.338
177 1HG1 VAL 22 1HG1 VAL 22 2.731 -7.768 -14.027
178 2HG1 VAL 22 2HG1 VAL 22 2.759 -6.020 -14.257
179 3HG1 VAL 22 3HG1 VAL 22 1.253 -6.913 -14.476
180 1HG2 VAL 22 1HG2 VAL 22 0.045 -7.817 -12.532
181 2HG2 VAL 22 2HG2 VAL 22 0.666 -7.579 -10.900
182 3HG2 VAL 22 3HG2 VAL 22 1.463 -8.712 -11.989
183 H THR 23 H THR 23 3.685 -7.855 -9.484
184 HA THR 23 HA THR 23 4.698 -10.175 -10.985
185 HB THR 23 HB THR 23 6.342 -10.584 -9.192
186 HG1 THR 23 HG1 THR 23 5.165 -8.259 -8.117
187 1HG2 THR 23 1HG2 THR 23 6.587 -7.832 -10.408
188 2HG2 THR 23 2HG2 THR 23 7.040 -9.352 -11.182
189 3HG2 THR 23 3HG2 THR 23 7.909 -8.797 -9.752
190 H ASN 24 H ASN 24 4.512 -12.233 -9.747
191 HA ASN 24 HA ASN 24 1.828 -12.375 -8.762
192 1HB ASN 24 2HB ASN 24 3.054 -14.136 -10.172
193 2HB ASN 24 1HB ASN 24 3.816 -14.637 -8.665
194 1HD2 ASN 24 1HD2 ASN 24 2.884 -16.598 -8.414
195 2HD2 ASN 24 2HD2 ASN 24 1.180 -16.839 -8.201
196 H LYS 25 H LYS 25 4.665 -11.577 -7.230
197 HA LYS 25 HA LYS 25 3.694 -12.651 -4.664
198 1HB LYS 25 2HB LYS 25 6.484 -11.802 -5.460
199 2HB LYS 25 1HB LYS 25 6.016 -12.202 -3.816
200 1HG LYS 25 2HG LYS 25 6.985 -14.157 -4.544
201 2HG LYS 25 1HG LYS 25 5.274 -14.463 -4.839
202 1HD LYS 25 2HD LYS 25 5.557 -13.874 -7.185
203 2HD LYS 25 1HD LYS 25 7.261 -13.505 -6.897
204 1HE LYS 25 2HE LYS 25 7.550 -15.876 -6.142
205 2HE LYS 25 1HE LYS 25 5.898 -16.182 -6.679
206 1HZ LYS 25 1HZ LYS 25 7.574 -16.792 -8.344
207 2HZ LYS 25 2HZ LYS 25 8.085 -15.175 -8.418
208 3HZ LYS 25 3HZ LYS 25 6.516 -15.594 -8.913
209 H THR 26 H THR 26 3.875 -9.894 -6.519
210 HA THR 26 HA THR 26 3.218 -8.137 -4.374
211 HB THR 26 HB THR 26 6.017 -8.275 -5.357
212 HG1 THR 26 HG1 THR 26 5.685 -8.864 -3.250
213 1HG2 THR 26 1HG2 THR 26 5.399 -6.114 -6.212
214 2HG2 THR 26 2HG2 THR 26 6.428 -5.910 -4.793
215 3HG2 THR 26 3HG2 THR 26 4.684 -5.661 -4.664
216 H TYR 27 H TYR 27 1.864 -6.673 -5.203
217 HA TYR 27 HA TYR 27 1.906 -6.019 -8.039
218 1HB TYR 27 2HB TYR 27 0.152 -5.185 -5.742
219 2HB TYR 27 1HB TYR 27 0.066 -4.375 -7.291
220 HD1 TYR 27 HD1 TYR 27 -1.511 -6.699 -5.343
221 HD2 TYR 27 HD2 TYR 27 -0.083 -6.219 -9.323
222 HE1 TYR 27 HE1 TYR 27 -3.166 -8.338 -6.128
223 HE2 TYR 27 HE2 TYR 27 -1.731 -7.862 -10.118
224 HH TYR 27 HH TYR 27 -4.352 -8.868 -8.271
225 H GLY 28 H GLY 28 2.698 -4.150 -8.891
226 1HA GLY 28 2HA GLY 28 3.933 -2.245 -7.030
227 2HA GLY 28 1HA GLY 28 4.287 -2.384 -8.749
228 H TYR 29 H TYR 29 2.997 -0.346 -6.651
229 HA TYR 29 HA TYR 29 0.914 0.539 -8.517
230 1HB TYR 29 2HB TYR 29 0.671 -0.216 -5.695
231 2HB TYR 29 1HB TYR 29 -0.067 1.328 -6.086
232 HD1 TYR 29 HD1 TYR 29 -1.844 1.412 -7.862
233 HD2 TYR 29 HD2 TYR 29 -0.320 -2.268 -6.367
234 HE1 TYR 29 HE1 TYR 29 -3.798 0.234 -8.782
235 HE2 TYR 29 HE2 TYR 29 -2.267 -3.453 -7.280
236 HH TYR 29 HH TYR 29 -4.445 -2.008 -9.468
237 H ARG 30 H ARG 30 0.661 2.721 -8.761
238 HA ARG 30 HA ARG 30 2.405 4.507 -7.258
239 1HB ARG 30 2HB ARG 30 3.373 5.421 -9.364
240 2HB ARG 30 1HB ARG 30 3.881 3.780 -9.002
241 1HG ARG 30 2HG ARG 30 2.409 2.879 -10.645
242 2HG ARG 30 1HG ARG 30 1.666 4.456 -10.913
243 1HD ARG 30 2HD ARG 30 3.671 5.322 -11.870
244 2HD ARG 30 1HD ARG 30 4.581 3.888 -11.394
245 HE ARG 30 HE ARG 30 2.506 3.038 -13.022
246 1HH1 ARG 30 1HH1 ARG 30 5.344 5.048 -13.299
247 2HH1 ARG 30 2HH1 ARG 30 5.621 4.680 -14.975
248 1HH2 ARG 30 1HH2 ARG 30 2.839 2.535 -15.221
249 2HH2 ARG 30 2HH2 ARG 30 4.185 3.237 -16.074
250 H ARG 31 H ARG 31 1.915 6.704 -7.512
251 HA ARG 31 HA ARG 31 -0.091 7.499 -9.436
252 1HB ARG 31 2HB ARG 31 -1.314 6.734 -7.313
253 2HB ARG 31 1HB ARG 31 -0.611 8.148 -6.539
254 1HG ARG 31 2HG ARG 31 -1.679 9.557 -8.280
255 2HG ARG 31 1HG ARG 31 -2.483 8.111 -8.894
256 1HD ARG 31 2HD ARG 31 -3.974 9.331 -7.422
257 2HD ARG 31 1HD ARG 31 -3.533 7.786 -6.688
258 HE ARG 31 HE ARG 31 -1.696 9.472 -5.661
259 1HH1 ARG 31 1HH1 ARG 31 -5.203 9.551 -5.785
260 2HH1 ARG 31 2HH1 ARG 31 -5.340 10.598 -4.407
261 1HH2 ARG 31 1HH2 ARG 31 -1.868 10.806 -3.873
262 2HH2 ARG 31 2HH2 ARG 31 -3.426 11.339 -3.321
263 H GLY 32 H GLY 32 1.517 8.745 -10.314
264 1HA GLY 32 2HA GLY 32 2.511 10.825 -10.607
265 2HA GLY 32 1HA GLY 32 2.062 11.243 -8.959
266 H GLU 33 H GLU 33 3.621 11.330 -7.507
267 HA GLU 33 HA GLU 33 6.249 10.219 -8.235
268 1HB GLU 33 2HB GLU 33 7.223 11.887 -6.767
269 2HB GLU 33 1HB GLU 33 6.147 12.673 -7.910
270 1HG GLU 33 2HG GLU 33 5.474 12.026 -5.045
271 2HG GLU 33 1HG GLU 33 5.976 13.603 -5.647
272 H ASN 34 H ASN 34 3.625 9.727 -6.237
273 HA ASN 34 HA ASN 34 5.170 8.455 -4.116
274 1HB ASN 34 2HB ASN 34 2.275 9.173 -4.447
275 2HB ASN 34 1HB ASN 34 2.754 7.976 -3.248
276 1HD2 ASN 34 1HD2 ASN 34 2.991 11.334 -4.213
277 2HD2 ASN 34 2HD2 ASN 34 3.537 11.924 -2.679
278 H TYR 35 H TYR 35 5.301 6.296 -3.809
279 HA TYR 35 HA TYR 35 3.984 4.555 -5.776
280 1HB TYR 35 2HB TYR 35 6.895 4.406 -4.951
281 2HB TYR 35 1HB TYR 35 6.076 3.271 -6.016
282 HD1 TYR 35 HD1 TYR 35 5.489 3.915 -8.295
283 HD2 TYR 35 HD2 TYR 35 7.585 6.586 -5.742
284 HE1 TYR 35 HE1 TYR 35 6.075 5.295 -10.242
285 HE2 TYR 35 HE2 TYR 35 8.186 7.980 -7.677
286 HH TYR 35 HH TYR 35 6.690 7.803 -10.593
287 H VAL 36 H VAL 36 3.449 2.519 -5.068
288 HA VAL 36 HA VAL 36 4.253 1.675 -2.389
289 HB VAL 36 HB VAL 36 1.877 0.958 -1.906
290 1HG1 VAL 36 1HG1 VAL 36 2.430 3.915 -2.070
291 2HG1 VAL 36 2HG1 VAL 36 2.854 2.836 -0.739
292 3HG1 VAL 36 3HG1 VAL 36 1.161 3.168 -1.101
293 1HG2 VAL 36 1HG2 VAL 36 0.072 2.197 -3.023
294 2HG2 VAL 36 2HG2 VAL 36 0.950 1.150 -4.138
295 3HG2 VAL 36 3HG2 VAL 36 1.252 2.888 -4.138
296 H TYR 37 H TYR 37 3.441 -0.607 -1.996
297 HA TYR 37 HA TYR 37 3.143 -2.152 -4.470
298 1HB TYR 37 2HB TYR 37 5.242 -2.638 -2.344
299 2HB TYR 37 1HB TYR 37 4.789 -3.829 -3.555
300 HD1 TYR 37 HD1 TYR 37 6.643 -0.759 -2.906
301 HD2 TYR 37 HD2 TYR 37 5.314 -3.446 -5.929
302 HE1 TYR 37 HE1 TYR 37 8.260 0.215 -4.479
303 HE2 TYR 37 HE2 TYR 37 6.931 -2.477 -7.506
304 HH TYR 37 HH TYR 37 8.152 -0.311 -7.792
305 H VAL 38 H VAL 38 1.957 -4.059 -4.186
306 HA VAL 38 HA VAL 38 0.736 -4.323 -1.511
307 HB VAL 38 HB VAL 38 -0.538 -5.127 -4.129
308 1HG1 VAL 38 1HG1 VAL 38 -2.581 -5.294 -2.779
309 2HG1 VAL 38 2HG1 VAL 38 -1.641 -4.925 -1.333
310 3HG1 VAL 38 3HG1 VAL 38 -1.327 -6.409 -2.233
311 1HG2 VAL 38 1HG2 VAL 38 -0.292 -2.709 -4.050
312 2HG2 VAL 38 2HG2 VAL 38 -1.018 -2.672 -2.444
313 3HG2 VAL 38 3HG2 VAL 38 -1.983 -3.162 -3.838
314 H ASN 39 H ASN 39 1.315 -6.053 -0.462
315 HA ASN 39 HA ASN 39 2.805 -8.151 -1.675
316 1HB ASN 39 2HB ASN 39 1.741 -7.680 1.086
317 2HB ASN 39 1HB ASN 39 2.455 -9.227 0.658
318 1HD2 ASN 39 1HD2 ASN 39 4.260 -7.674 -1.265
319 2HD2 ASN 39 2HD2 ASN 39 5.498 -7.047 -0.233
320 H ARG 40 H ARG 40 2.171 -10.042 -2.483
321 HA ARG 40 HA ARG 40 -0.629 -10.818 -2.426
322 1HB ARG 40 2HB ARG 40 1.729 -12.399 -3.471
323 2HB ARG 40 1HB ARG 40 0.032 -12.632 -3.871
324 1HG ARG 40 2HG ARG 40 1.712 -10.245 -4.592
325 2HG ARG 40 1HG ARG 40 1.208 -11.540 -5.680
326 1HD ARG 40 2HD ARG 40 -0.721 -9.840 -4.151
327 2HD ARG 40 1HD ARG 40 -0.138 -9.408 -5.758
328 HE ARG 40 HE ARG 40 -2.069 -11.443 -5.099
329 1HH1 ARG 40 1HH1 ARG 40 0.283 -10.402 -7.477
330 2HH1 ARG 40 2HH1 ARG 40 -0.461 -11.255 -8.789
331 1HH2 ARG 40 1HH2 ARG 40 -3.062 -12.572 -6.837
332 2HH2 ARG 40 2HH2 ARG 40 -2.376 -12.474 -8.429
333 H GLU 41 H GLU 41 1.947 -11.039 -0.438
334 HA GLU 41 HA GLU 41 1.571 -13.766 0.483
335 1HB GLU 41 2HB GLU 41 3.503 -11.750 1.599
336 2HB GLU 41 1HB GLU 41 3.657 -13.504 1.539
337 1HG GLU 41 2HG GLU 41 3.953 -13.405 -0.881
338 2HG GLU 41 1HG GLU 41 3.768 -11.647 -0.841
339 H ALA 42 H ALA 42 -0.134 -11.149 0.973
340 HA ALA 42 HA ALA 42 -0.068 -11.059 3.879
341 1HB ALA 42 1HB ALA 42 -0.200 -8.954 2.651
342 2HB ALA 42 2HB ALA 42 -1.618 -9.195 3.671
343 3HB ALA 42 3HB ALA 42 -1.724 -9.468 1.932
344 H ARG 43 H ARG 43 -0.835 -13.191 4.246
345 HA ARG 43 HA ARG 43 -3.553 -13.838 3.459
346 1HB ARG 43 2HB ARG 43 -1.755 -15.314 5.386
347 2HB ARG 43 1HB ARG 43 -3.196 -15.937 4.596
348 1HG ARG 43 2HG ARG 43 -2.086 -15.846 2.443
349 2HG ARG 43 1HG ARG 43 -0.647 -15.151 3.197
350 1HD ARG 43 2HD ARG 43 -1.803 -17.903 3.587
351 2HD ARG 43 1HD ARG 43 -0.228 -17.472 2.917
352 HE ARG 43 HE ARG 43 0.209 -16.546 5.252
353 1HH1 ARG 43 1HH1 ARG 43 -1.731 -19.367 4.551
354 2HH1 ARG 43 2HH1 ARG 43 -1.603 -20.015 6.163
355 1HH2 ARG 43 1HH2 ARG 43 0.394 -17.381 7.368
356 2HH2 ARG 43 2HH2 ARG 43 -0.387 -18.886 7.768
357 H MET 44 H MET 44 -1.751 -12.721 6.226
358 HA MET 44 HA MET 44 -3.838 -12.788 8.139
359 1HB MET 44 2HB MET 44 -1.520 -10.853 7.935
360 2HB MET 44 1HB MET 44 -2.528 -11.095 9.351
361 1HG MET 44 2HG MET 44 -1.712 -13.372 9.569
362 2HG MET 44 1HG MET 44 -0.734 -13.168 8.116
363 1HE MET 44 1HE MET 44 1.472 -13.897 9.336
364 2HE MET 44 2HE MET 44 0.557 -14.195 10.812
365 3HE MET 44 3HE MET 44 2.025 -13.220 10.866
366 H GLY 45 H GLY 45 -2.964 -10.605 5.575
367 1HA GLY 45 2HA GLY 45 -4.338 -8.997 4.575
368 2HA GLY 45 1HA GLY 45 -5.421 -9.094 5.958
369 H ARG 46 H ARG 46 -2.308 -8.912 7.039
370 HA ARG 46 HA ARG 46 -2.687 -6.123 7.769
371 1HB ARG 46 2HB ARG 46 -2.243 -7.767 9.543
372 2HB ARG 46 1HB ARG 46 -0.708 -8.167 8.788
373 1HG ARG 46 2HG ARG 46 0.216 -6.071 9.319
374 2HG ARG 46 1HG ARG 46 -1.360 -5.396 9.736
375 1HD ARG 46 2HD ARG 46 0.038 -5.933 11.711
376 2HD ARG 46 1HD ARG 46 -1.501 -6.793 11.689
377 HE ARG 46 HE ARG 46 -0.068 -8.686 10.701
378 1HH1 ARG 46 1HH1 ARG 46 0.995 -6.378 13.103
379 2HH1 ARG 46 2HH1 ARG 46 2.176 -7.453 13.805
380 1HH2 ARG 46 1HH2 ARG 46 1.469 -10.116 11.636
381 2HH2 ARG 46 2HH2 ARG 46 2.422 -9.579 12.981
382 H THR 47 H THR 47 0.109 -8.121 6.758
383 HA THR 47 HA THR 47 1.695 -5.841 6.107
384 HB THR 47 HB THR 47 3.226 -7.635 5.101
385 HG1 THR 47 HG1 THR 47 2.395 -9.572 4.944
386 1HG2 THR 47 1HG2 THR 47 3.891 -8.469 7.309
387 2HG2 THR 47 2HG2 THR 47 2.362 -7.904 7.983
388 3HG2 THR 47 3HG2 THR 47 3.532 -6.743 7.358
389 H ALA 48 H ALA 48 -0.796 -5.959 4.593
390 HA ALA 48 HA ALA 48 -0.223 -6.933 1.959
391 1HB ALA 48 1HB ALA 48 -2.498 -5.185 2.875
392 2HB ALA 48 2HB ALA 48 -2.488 -6.950 2.906
393 3HB ALA 48 3HB ALA 48 -2.404 -6.094 1.366
394 H LEU 49 H LEU 49 -0.181 -3.743 3.506
395 HA LEU 49 HA LEU 49 0.353 -2.531 0.896
396 1HB LEU 49 2HB LEU 49 -1.414 -1.487 2.226
397 2HB LEU 49 1HB LEU 49 -0.272 -1.192 3.527
398 HG LEU 49 HG LEU 49 1.051 0.236 1.936
399 1HD1 LEU 49 1HD1 LEU 49 0.222 -0.682 -0.151
400 2HD1 LEU 49 2HD1 LEU 49 -0.074 1.055 -0.072
401 3HD1 LEU 49 3HD1 LEU 49 -1.395 -0.079 0.210
402 1HD2 LEU 49 1HD2 LEU 49 -1.789 1.081 2.486
403 2HD2 LEU 49 2HD2 LEU 49 -0.455 2.160 2.081
404 3HD2 LEU 49 3HD2 LEU 49 -0.420 1.238 3.585
405 H ILE 50 H ILE 50 2.365 -2.452 0.326
406 HA ILE 50 HA ILE 50 4.450 -1.701 2.264
407 HB ILE 50 HB ILE 50 4.747 -2.580 -0.618
408 1HG1 ILE 50 2HG1 ILE 50 3.794 -4.399 0.702
409 2HG1 ILE 50 1HG1 ILE 50 5.459 -4.762 0.266
410 1HG2 ILE 50 1HG2 ILE 50 6.792 -2.333 1.582
411 2HG2 ILE 50 2HG2 ILE 50 6.609 -1.248 0.204
412 3HG2 ILE 50 3HG2 ILE 50 7.096 -2.924 -0.053
413 1HD1 ILE 50 1HD1 ILE 50 4.969 -5.419 2.548
414 2HD1 ILE 50 2HD1 ILE 50 4.520 -3.760 2.943
415 3HD1 ILE 50 3HD1 ILE 50 6.184 -4.141 2.508
416 H ILE 51 H ILE 51 5.489 0.299 2.050
417 HA ILE 51 HA ILE 51 4.440 2.033 -0.099
418 HB ILE 51 HB ILE 51 4.803 3.958 1.317
419 1HG1 ILE 51 2HG1 ILE 51 5.684 2.019 3.463
420 2HG1 ILE 51 1HG1 ILE 51 6.775 3.028 2.522
421 1HG2 ILE 51 1HG2 ILE 51 2.644 2.901 1.493
422 2HG2 ILE 51 2HG2 ILE 51 3.129 3.505 3.078
423 3HG2 ILE 51 3HG2 ILE 51 3.252 1.783 2.714
424 1HD1 ILE 51 1HD1 ILE 51 4.630 4.011 4.383
425 2HD1 ILE 51 2HD1 ILE 51 5.715 5.025 3.430
426 3HD1 ILE 51 3HD1 ILE 51 6.364 3.989 4.704
427 H HIS 52 H HIS 52 5.880 3.779 -0.780
428 HA HIS 52 HA HIS 52 8.504 3.054 -1.418
429 1HB HIS 52 2HB HIS 52 7.207 4.820 -2.579
430 2HB HIS 52 1HB HIS 52 7.311 5.831 -1.146
431 HD1 HIS 52 HD1 HIS 52 10.436 5.270 -0.674
432 HD2 HIS 52 HD2 HIS 52 8.651 6.507 -4.216
433 HE1 HIS 52 HE1 HIS 52 12.238 6.444 -1.948
434 HE2 HIS 52 HE2 HIS 52 11.119 7.268 -4.058
435 HA PRO 53 HA PRO 53 10.507 3.453 2.648
436 1HB PRO 53 2HB PRO 53 12.743 3.611 0.702
437 2HB PRO 53 1HB PRO 53 12.624 2.659 2.195
438 1HG PRO 53 2HG PRO 53 12.342 1.450 -0.145
439 2HG PRO 53 1HG PRO 53 11.264 1.028 1.198
440 1HD PRO 53 2HD PRO 53 10.723 2.684 -1.220
441 2HD PRO 53 1HD PRO 53 9.642 1.585 -0.336
442 H ARG 54 H ARG 54 9.977 5.599 3.168
443 HA ARG 54 HA ARG 54 11.811 7.634 2.941
444 1HB ARG 54 2HB ARG 54 11.507 7.493 0.539
445 2HB ARG 54 1HB ARG 54 9.765 7.675 0.723
446 1HG ARG 54 2HG ARG 54 10.016 9.939 1.514
447 2HG ARG 54 1HG ARG 54 11.772 9.784 1.496
448 1HD ARG 54 2HD ARG 54 10.058 9.465 -0.955
449 2HD ARG 54 1HD ARG 54 10.755 11.003 -0.457
450 HE ARG 54 HE ARG 54 12.596 8.759 -0.792
451 1HH1 ARG 54 1HH1 ARG 54 11.243 11.706 -2.131
452 2HH1 ARG 54 2HH1 ARG 54 12.538 11.932 -3.263
453 1HH2 ARG 54 1HH2 ARG 54 14.295 9.072 -2.291
454 2HH2 ARG 54 2HH2 ARG 54 14.265 10.443 -3.356
455 H LEU 55 H LEU 55 8.390 6.868 2.739
456 HA LEU 55 HA LEU 55 7.618 9.221 4.256
457 1HB LEU 55 2HB LEU 55 6.168 6.994 2.871
458 2HB LEU 55 1HB LEU 55 5.321 8.035 4.001
459 HG LEU 55 HG LEU 55 6.818 9.075 1.602
460 1HD1 LEU 55 1HD1 LEU 55 4.995 7.618 0.871
461 2HD1 LEU 55 2HD1 LEU 55 4.633 9.312 0.534
462 3HD1 LEU 55 3HD1 LEU 55 3.871 8.503 1.903
463 1HD2 LEU 55 1HD2 LEU 55 6.544 10.699 3.345
464 2HD2 LEU 55 2HD2 LEU 55 4.841 10.274 3.531
465 3HD2 LEU 55 3HD2 LEU 55 5.401 11.068 2.052
466 H LYS 56 H LYS 56 9.276 7.277 5.635
467 HA LYS 56 HA LYS 56 7.816 5.294 6.953
468 1HB LYS 56 2HB LYS 56 10.308 5.407 6.696
469 2HB LYS 56 1HB LYS 56 10.328 6.600 7.988
470 1HG LYS 56 2HG LYS 56 9.567 5.041 9.578
471 2HG LYS 56 1HG LYS 56 9.119 3.875 8.329
472 1HD LYS 56 2HD LYS 56 11.526 3.705 7.718
473 2HD LYS 56 1HD LYS 56 11.902 4.737 9.104
474 1HE LYS 56 2HE LYS 56 10.910 3.105 10.609
475 2HE LYS 56 1HE LYS 56 10.466 2.085 9.241
476 1HZ LYS 56 1HZ LYS 56 12.861 1.899 8.734
477 2HZ LYS 56 2HZ LYS 56 12.448 1.233 10.232
478 3HZ LYS 56 3HZ LYS 56 13.215 2.748 10.156
479 H ASP 57 H ASP 57 8.890 8.460 8.243
480 HA ASP 57 HA ASP 57 7.753 8.122 10.785
481 1HB ASP 57 2HB ASP 57 8.515 10.579 9.226
482 2HB ASP 57 1HB ASP 57 7.786 10.699 10.824
483 H ARG 58 H ARG 58 6.475 10.055 8.072
484 HA ARG 58 HA ARG 58 4.056 10.733 9.290
485 1HB ARG 58 2HB ARG 58 4.677 11.950 7.363
486 2HB ARG 58 1HB ARG 58 4.859 10.491 6.398
487 1HG ARG 58 2HG ARG 58 2.490 10.160 6.345
488 2HG ARG 58 1HG ARG 58 2.227 11.481 7.471
489 1HD ARG 58 2HD ARG 58 3.474 11.781 4.744
490 2HD ARG 58 1HD ARG 58 1.768 12.058 5.094
491 HE ARG 58 HE ARG 58 2.762 13.753 6.785
492 1HH1 ARG 58 1HH1 ARG 58 4.004 13.048 3.585
493 2HH1 ARG 58 2HH1 ARG 58 4.654 14.640 3.347
494 1HH2 ARG 58 1HH2 ARG 58 3.630 15.842 6.481
495 2HH2 ARG 58 2HH2 ARG 58 4.440 16.230 4.993
496 H SER 59 H SER 59 4.772 8.051 7.067
497 HA SER 59 HA SER 59 2.153 7.077 6.937
498 1HB SER 59 2HB SER 59 3.810 6.438 5.300
499 2HB SER 59 1HB SER 59 4.771 5.629 6.531
500 HG SER 59 HG SER 59 2.140 4.925 5.722
501 H SER 60 H SER 60 4.854 6.184 9.077
502 HA SER 60 HA SER 60 3.586 4.070 10.420
503 1HB SER 60 2HB SER 60 6.002 4.461 10.560
504 2HB SER 60 1HB SER 60 5.725 5.970 11.424
505 HG SER 60 HG SER 60 5.539 4.883 13.196
506 H SER 61 H SER 61 3.476 7.545 10.927
507 HA SER 61 HA SER 61 2.162 7.411 13.462
508 1HB SER 61 2HB SER 61 3.570 9.334 12.581
509 2HB SER 61 1HB SER 61 2.201 9.755 11.556
510 HG SER 61 HG SER 61 1.532 9.376 14.199
511 H LEU 62 H LEU 62 1.144 6.861 10.313
512 HA LEU 62 HA LEU 62 -1.641 7.567 10.921
513 1HB LEU 62 2HB LEU 62 -0.221 7.074 8.312
514 2HB LEU 62 1HB LEU 62 -1.968 7.194 8.435
515 HG LEU 62 HG LEU 62 -0.041 9.382 9.227
516 1HD1 LEU 62 1HD1 LEU 62 -0.771 10.512 7.201
517 2HD1 LEU 62 2HD1 LEU 62 -1.768 9.123 6.767
518 3HD1 LEU 62 3HD1 LEU 62 -0.012 8.969 6.812
519 1HD2 LEU 62 1HD2 LEU 62 -2.045 10.770 9.328
520 2HD2 LEU 62 2HD2 LEU 62 -2.164 9.413 10.451
521 3HD2 LEU 62 3HD2 LEU 62 -3.044 9.374 8.922
522 H ALA 63 H ALA 63 0.355 4.961 9.569
523 HA ALA 63 HA ALA 63 -1.852 3.098 10.156
524 1HB ALA 63 1HB ALA 63 -1.563 3.408 7.754
525 2HB ALA 63 2HB ALA 63 -1.127 1.768 8.242
526 3HB ALA 63 3HB ALA 63 0.136 2.948 7.895
527 H ASP 64 H ASP 64 -1.354 1.213 11.176
528 HA ASP 64 HA ASP 64 1.041 1.221 12.736
529 1HB ASP 64 2HB ASP 64 -1.207 0.432 13.539
530 2HB ASP 64 1HB ASP 64 -1.010 -0.986 12.513
531 HA PRO 65 HA PRO 65 3.363 -1.262 9.816
532 1HB PRO 65 2HB PRO 65 5.551 -1.066 11.721
533 2HB PRO 65 1HB PRO 65 5.415 -0.356 10.110
534 1HG PRO 65 2HG PRO 65 5.388 1.130 12.384
535 2HG PRO 65 1HG PRO 65 4.532 1.604 10.907
536 1HD PRO 65 2HD PRO 65 3.452 0.303 13.382
537 2HD PRO 65 1HD PRO 65 2.761 1.623 12.411
538 H ALA 66 H ALA 66 3.300 -3.413 9.719
539 HA ALA 66 HA ALA 66 2.965 -5.030 12.068
540 1HB ALA 66 1HB ALA 66 2.855 -6.899 10.514
541 2HB ALA 66 2HB ALA 66 3.404 -5.857 9.202
542 3HB ALA 66 3HB ALA 66 1.838 -5.568 9.959
543 H SER 67 H SER 67 5.571 -3.733 10.483
544 HA SER 67 HA SER 67 7.462 -5.219 12.057
545 1HB SER 67 2HB SER 67 7.214 -6.606 10.005
546 2HB SER 67 1HB SER 67 7.721 -5.214 9.053
547 HG SER 67 HG SER 67 9.268 -6.398 11.125
548 H ASP 68 H ASP 68 9.091 -4.085 9.611
549 HA ASP 68 HA ASP 68 8.972 -1.235 10.120
550 1HB ASP 68 2HB ASP 68 10.505 -2.300 11.894
551 2HB ASP 68 1HB ASP 68 11.596 -2.655 10.564
552 H ILE 69 H ILE 69 10.871 -3.866 8.743
553 HA ILE 69 HA ILE 69 10.720 -2.583 6.135
554 HB ILE 69 HB ILE 69 13.211 -3.403 5.858
555 1HG1 ILE 69 2HG1 ILE 69 13.071 -2.678 8.774
556 2HG1 ILE 69 1HG1 ILE 69 13.296 -4.309 8.179
557 1HG2 ILE 69 1HG2 ILE 69 12.436 -1.122 5.491
558 2HG2 ILE 69 2HG2 ILE 69 13.972 -1.126 6.360
559 3HG2 ILE 69 3HG2 ILE 69 12.468 -0.822 7.230
560 1HD1 ILE 69 1HD1 ILE 69 15.188 -2.001 7.753
561 2HD1 ILE 69 2HD1 ILE 69 15.420 -3.646 7.164
562 3HD1 ILE 69 3HD1 ILE 69 15.406 -3.323 8.899
563 H LYS 70 H LYS 70 10.508 -3.944 4.532
564 HA LYS 70 HA LYS 70 10.887 -6.829 5.012
565 1HB LYS 70 2HB LYS 70 8.509 -6.470 4.981
566 2HB LYS 70 1HB LYS 70 8.625 -5.430 3.571
567 1HG LYS 70 2HG LYS 70 9.301 -7.358 2.212
568 2HG LYS 70 1HG LYS 70 9.146 -8.397 3.630
569 1HD LYS 70 2HD LYS 70 6.806 -8.036 3.750
570 2HD LYS 70 1HD LYS 70 6.885 -6.706 2.596
571 1HE LYS 70 2HE LYS 70 5.971 -8.649 1.508
572 2HE LYS 70 1HE LYS 70 7.564 -8.304 0.842
573 1HZ LYS 70 1HZ LYS 70 7.094 -10.322 2.963
574 2HZ LYS 70 2HZ LYS 70 8.498 -10.096 2.038
575 3HZ LYS 70 3HZ LYS 70 7.085 -10.687 1.304
576 H THR 71 H THR 71 12.512 -7.515 3.773
577 HA THR 71 HA THR 71 13.201 -5.992 1.386
578 HB THR 71 HB THR 71 15.292 -7.340 1.394
579 HG1 THR 71 HG1 THR 71 15.395 -9.053 2.597
580 1HG2 THR 71 1HG2 THR 71 14.648 -5.954 3.996
581 2HG2 THR 71 2HG2 THR 71 15.231 -5.183 2.521
582 3HG2 THR 71 3HG2 THR 71 16.268 -6.310 3.395
583 H CYS 72 H CYS 72 13.317 -6.823 -0.638
584 HA CYS 72 HA CYS 72 12.985 -9.499 -1.403
585 1HB CYS 72 2HB CYS 72 10.717 -9.191 -0.441
586 2HB CYS 72 1HB CYS 72 10.450 -7.844 -1.539
587 HG CYS 72 HG CYS 72 10.394 -11.162 -2.148
588 H ASP 73 H ASP 73 13.616 -9.627 -3.502
589 HA ASP 73 HA ASP 73 14.297 -7.208 -4.884
590 1HB ASP 73 2HB ASP 73 15.695 -9.238 -5.009
591 2HB ASP 73 1HB ASP 73 14.403 -10.072 -5.865
592 H HIS 74 H HIS 74 11.697 -6.946 -4.529
593 HA HIS 74 HA HIS 74 10.666 -7.129 -7.283
594 1HB HIS 74 2HB HIS 74 9.168 -7.651 -4.714
595 2HB HIS 74 1HB HIS 74 8.341 -7.241 -6.210
596 HD1 HIS 74 HD1 HIS 74 7.469 -9.255 -7.340
597 HD2 HIS 74 HD2 HIS 74 11.013 -10.046 -5.307
598 HE1 HIS 74 HE1 HIS 74 7.919 -11.708 -7.681
599 HE2 HIS 74 HE2 HIS 74 9.984 -12.194 -6.319
600 H TYR 75 H TYR 75 11.594 -5.179 -4.758
601 HA TYR 75 HA TYR 75 9.726 -3.030 -5.470
602 1HB TYR 75 2HB TYR 75 11.576 -3.083 -3.077
603 2HB TYR 75 1HB TYR 75 10.181 -2.041 -3.342
604 HD1 TYR 75 HD1 TYR 75 11.264 -4.722 -1.490
605 HD2 TYR 75 HD2 TYR 75 7.957 -3.550 -3.897
606 HE1 TYR 75 HE1 TYR 75 9.849 -6.381 -0.350
607 HE2 TYR 75 HE2 TYR 75 6.536 -5.199 -2.761
608 HH TYR 75 HH TYR 75 6.802 -7.302 -1.533
609 H GLN 76 H GLN 76 10.997 -2.806 -7.450
610 HA GLN 76 HA GLN 76 13.758 -2.041 -7.308
611 1HB GLN 76 2HB GLN 76 13.539 -1.823 -9.748
612 2HB GLN 76 1HB GLN 76 12.958 -3.371 -9.161
613 1HG GLN 76 2HG GLN 76 10.648 -2.479 -9.253
614 2HG GLN 76 1HG GLN 76 11.282 -1.002 -9.969
615 1HE2 GLN 76 1HE2 GLN 76 13.283 -2.483 -11.551
616 2HE2 GLN 76 2HE2 GLN 76 12.401 -3.229 -12.838
617 H ASN 77 H ASN 77 11.600 -0.301 -6.084
618 HA ASN 77 HA ASN 77 11.177 1.947 -7.769
619 1HB ASN 77 2HB ASN 77 9.729 1.064 -5.848
620 2HB ASN 77 1HB ASN 77 10.836 1.920 -4.778
621 1HD2 ASN 77 1HD2 ASN 77 9.695 2.895 -7.973
622 2HD2 ASN 77 2HD2 ASN 77 8.882 4.323 -7.433
623 H PHE 78 H PHE 78 14.033 1.172 -6.783
624 HA PHE 78 HA PHE 78 15.902 2.477 -7.100
625 1HB PHE 78 2HB PHE 78 14.666 4.498 -7.653
626 2HB PHE 78 1HB PHE 78 14.398 4.813 -5.943
627 HD1 PHE 78 HD1 PHE 78 15.915 6.101 -4.753
628 HD2 PHE 78 HD2 PHE 78 17.109 4.350 -8.439
629 HE1 PHE 78 HE1 PHE 78 18.033 7.355 -4.660
630 HE2 PHE 78 HE2 PHE 78 19.227 5.596 -8.356
631 HZ PHE 78 HZ PHE 78 19.691 7.099 -6.464
632 HA PRO 79 HA PRO 79 16.502 3.317 -2.225
633 1HB PRO 79 2HB PRO 79 14.655 1.710 -0.870
634 2HB PRO 79 1HB PRO 79 14.672 3.474 -0.944
635 1HG PRO 79 2HG PRO 79 13.125 1.525 -2.583
636 2HG PRO 79 1HG PRO 79 12.628 3.097 -1.938
637 1HD PRO 79 2HD PRO 79 13.231 2.835 -4.494
638 2HD PRO 79 1HD PRO 79 13.777 4.264 -3.591
639 H LEU 80 H LEU 80 16.526 0.759 -4.239
640 HA LEU 80 HA LEU 80 17.062 -1.576 -2.965
641 1HB LEU 80 2HB LEU 80 17.293 -1.319 -5.361
642 2HB LEU 80 1HB LEU 80 18.633 -0.217 -5.164
643 HG LEU 80 HG LEU 80 19.089 -2.626 -5.952
644 1HD1 LEU 80 1HD1 LEU 80 20.866 -1.095 -5.417
645 2HD1 LEU 80 2HD1 LEU 80 21.238 -2.686 -4.752
646 3HD1 LEU 80 3HD1 LEU 80 20.656 -1.401 -3.695
647 1HD2 LEU 80 1HD2 LEU 80 18.778 -3.084 -2.995
648 2HD2 LEU 80 2HD2 LEU 80 19.510 -4.214 -4.134
649 3HD2 LEU 80 3HD2 LEU 80 17.804 -3.797 -4.283
650 H TYR 81 H TYR 81 18.237 -2.150 -1.278
651 HA TYR 81 HA TYR 81 19.797 -0.221 0.108
652 1HB TYR 81 2HB TYR 81 18.291 -2.196 0.976
653 2HB TYR 81 1HB TYR 81 19.781 -3.121 0.853
654 HD1 TYR 81 HD1 TYR 81 17.940 -0.639 2.734
655 HD2 TYR 81 HD2 TYR 81 21.746 -2.479 2.253
656 HE1 TYR 81 HE1 TYR 81 18.618 0.202 4.941
657 HE2 TYR 81 HE2 TYR 81 22.437 -1.641 4.459
658 HH TYR 81 HH TYR 81 21.775 0.320 5.974
659 H LEU 82 H LEU 82 21.859 0.227 -0.197
660 HA LEU 82 HA LEU 82 23.591 -1.601 -1.639
661 1HB LEU 82 2HB LEU 82 24.099 1.155 -0.516
662 2HB LEU 82 1HB LEU 82 25.236 0.246 -1.490
663 HG LEU 82 HG LEU 82 22.535 1.216 -2.421
664 1HD1 LEU 82 1HD1 LEU 82 24.073 3.056 -2.095
665 2HD1 LEU 82 2HD1 LEU 82 23.845 2.756 -3.816
666 3HD1 LEU 82 3HD1 LEU 82 25.317 2.211 -3.015
667 1HD2 LEU 82 1HD2 LEU 82 24.778 -0.128 -3.925
668 2HD2 LEU 82 2HD2 LEU 82 23.290 0.510 -4.630
669 3HD2 LEU 82 3HD2 LEU 82 23.222 -0.854 -3.512
670 H GLY 83 H GLY 83 26.008 -1.529 -0.675
671 1HA GLY 83 2HA GLY 83 26.756 -1.381 1.872
672 2HA GLY 83 1HA GLY 83 25.730 -2.804 1.936
673 H GLY 84 H GLY 84 26.348 -4.681 0.770
674 1HA GLY 84 2HA GLY 84 29.259 -4.743 0.260
675 2HA GLY 84 1HA GLY 84 28.350 -6.086 0.937
676 H GLU 85 H GLU 85 27.932 -7.674 -0.432
677 HA GLU 85 HA GLU 85 28.252 -7.181 -3.277
678 1HB GLU 85 2HB GLU 85 28.030 -9.703 -1.644
679 2HB GLU 85 1HB GLU 85 28.142 -9.684 -3.392
680 1HG GLU 85 2HG GLU 85 30.195 -8.729 -1.426
681 2HG GLU 85 1HG GLU 85 30.309 -10.113 -2.513
682 H THR 86 H THR 86 25.933 -8.925 -1.207
683 HA THR 86 HA THR 86 23.980 -8.961 -3.328
684 HB THR 86 HB THR 86 22.536 -9.972 -1.435
685 HG1 THR 86 HG1 THR 86 23.442 -10.083 0.461
686 1HG2 THR 86 1HG2 THR 86 23.540 -11.310 -3.220
687 2HG2 THR 86 2HG2 THR 86 23.607 -12.162 -1.677
688 3HG2 THR 86 3HG2 THR 86 25.054 -11.384 -2.319
689 H HIS 87 H HIS 87 22.690 -7.312 -3.746
690 HA HIS 87 HA HIS 87 21.888 -5.573 -1.507
691 1HB HIS 87 2HB HIS 87 21.693 -4.892 -4.456
692 2HB HIS 87 1HB HIS 87 21.471 -3.813 -3.087
693 HD1 HIS 87 HD1 HIS 87 23.769 -3.589 -1.542
694 HD2 HIS 87 HD2 HIS 87 24.177 -4.726 -5.515
695 HE1 HIS 87 HE1 HIS 87 26.169 -3.121 -2.136
696 HE2 HIS 87 HE2 HIS 87 26.427 -3.937 -4.508
697 H GLU 88 H GLU 88 19.755 -5.363 -1.034
698 HA GLU 88 HA GLU 88 17.876 -6.795 -2.764
699 1HB GLU 88 2HB GLU 88 18.553 -8.197 -0.803
700 2HB GLU 88 1HB GLU 88 17.873 -6.965 0.250
701 1HG GLU 88 2HG GLU 88 15.704 -7.449 -0.357
702 2HG GLU 88 1HG GLU 88 16.188 -8.190 -1.883
703 H HIS 89 H HIS 89 15.913 -5.911 -2.970
704 HA HIS 89 HA HIS 89 15.703 -3.114 -2.297
705 1HB HIS 89 2HB HIS 89 13.732 -4.948 -3.697
706 2HB HIS 89 1HB HIS 89 13.641 -3.193 -3.636
707 HD1 HIS 89 HD1 HIS 89 14.642 -2.016 -5.578
708 HD2 HIS 89 HD2 HIS 89 16.161 -5.852 -5.130
709 HE1 HIS 89 HE1 HIS 89 16.165 -2.377 -7.554
710 HE2 HIS 89 HE2 HIS 89 17.088 -4.710 -7.253
711 H TYR 90 H TYR 90 14.158 -2.216 -0.836
712 HA TYR 90 HA TYR 90 12.721 -4.208 0.771
713 1HB TYR 90 2HB TYR 90 13.394 -3.207 2.830
714 2HB TYR 90 1HB TYR 90 14.856 -3.476 1.890
715 HD1 TYR 90 HD1 TYR 90 12.828 -1.063 3.608
716 HD2 TYR 90 HD2 TYR 90 15.895 -1.485 0.686
717 HE1 TYR 90 HE1 TYR 90 13.434 1.299 3.906
718 HE2 TYR 90 HE2 TYR 90 16.503 0.880 0.982
719 HH TYR 90 HH TYR 90 15.586 2.930 1.781
720 H GLY 91 H GLY 91 10.923 -3.433 1.939
721 1HA GLY 91 2HA GLY 91 9.978 -0.728 1.291
722 2HA GLY 91 1HA GLY 91 8.928 -2.103 0.956
723 H ILE 92 H ILE 92 7.819 -0.388 2.610
724 HA ILE 92 HA ILE 92 8.414 -1.335 5.337
725 HB ILE 92 HB ILE 92 6.996 1.209 4.527
726 1HG1 ILE 92 2HG1 ILE 92 9.790 0.810 5.628
727 2HG1 ILE 92 1HG1 ILE 92 9.410 1.182 3.951
728 1HG2 ILE 92 1HG2 ILE 92 6.259 0.338 6.686
729 2HG2 ILE 92 2HG2 ILE 92 7.193 1.820 6.888
730 3HG2 ILE 92 3HG2 ILE 92 7.933 0.255 7.235
731 1HD1 ILE 92 1HD1 ILE 92 8.875 2.939 6.332
732 2HD1 ILE 92 2HD1 ILE 92 8.430 3.314 4.669
733 3HD1 ILE 92 3HD1 ILE 92 10.131 3.167 5.115
734 HA PRO 93 HA PRO 93 4.396 -3.321 4.945
735 1HB PRO 93 2HB PRO 93 4.612 -4.817 7.182
736 2HB PRO 93 1HB PRO 93 5.458 -5.225 5.685
737 1HG PRO 93 2HG PRO 93 6.489 -3.905 8.152
738 2HG PRO 93 1HG PRO 93 7.270 -5.109 7.114
739 1HD PRO 93 2HD PRO 93 7.801 -2.418 7.020
740 2HD PRO 93 1HD PRO 93 8.045 -3.531 5.660
741 H HIS 94 H HIS 94 2.405 -3.233 6.043
742 HA HIS 94 HA HIS 94 2.231 -1.587 8.465
743 1HB HIS 94 2HB HIS 94 0.800 -1.008 5.861
744 2HB HIS 94 1HB HIS 94 0.387 -0.253 7.393
745 HD1 HIS 94 HD1 HIS 94 2.993 -0.251 4.716
746 HD2 HIS 94 HD2 HIS 94 2.105 1.737 8.257
747 HE1 HIS 94 HE1 HIS 94 4.531 1.729 4.789
748 HE2 HIS 94 HE2 HIS 94 3.787 3.047 6.798
749 H GLY 95 H GLY 95 -0.624 -1.328 8.320
750 1HA GLY 95 2HA GLY 95 -1.932 -3.662 7.422
751 2HA GLY 95 1HA GLY 95 -1.679 -3.742 9.163
752 H PHE 96 H PHE 96 -4.220 -3.628 7.921
753 HA PHE 96 HA PHE 96 -5.260 -1.138 9.032
754 1HB PHE 96 2HB PHE 96 -5.902 -2.039 6.208
755 2HB PHE 96 1HB PHE 96 -6.588 -0.642 7.031
756 HD1 PHE 96 HD1 PHE 96 -5.204 1.340 7.469
757 HD2 PHE 96 HD2 PHE 96 -3.741 -1.966 5.224
758 HE1 PHE 96 HE1 PHE 96 -3.362 2.733 6.616
759 HE2 PHE 96 HE2 PHE 96 -1.899 -0.580 4.373
760 HZ PHE 96 HZ PHE 96 -1.707 1.773 5.071
761 H SER 97 H SER 97 -7.285 -1.381 9.906
762 HA SER 97 HA SER 97 -8.281 -4.093 10.060
763 1HB SER 97 2HB SER 97 -9.501 -1.651 11.330
764 2HB SER 97 1HB SER 97 -9.667 -3.332 11.836
765 HG SER 97 HG SER 97 -7.290 -1.779 11.895
766 H SER 98 H SER 98 -9.384 -0.981 8.765
767 HA SER 98 HA SER 98 -11.572 -2.412 7.422
768 1HB SER 98 2HB SER 98 -12.977 -0.359 7.759
769 2HB SER 98 1HB SER 98 -12.591 -1.226 9.245
770 HG SER 98 HG SER 98 -12.039 0.745 9.822
771 H ARG 99 H ARG 99 -12.395 -1.367 5.513
772 HA ARG 99 HA ARG 99 -10.386 -0.636 3.702
773 1HB ARG 99 2HB ARG 99 -13.347 -0.105 3.442
774 2HB ARG 99 1HB ARG 99 -12.183 -0.222 2.132
775 1HG ARG 99 2HG ARG 99 -11.824 -2.591 2.688
776 2HG ARG 99 1HG ARG 99 -13.043 -2.455 3.960
777 1HD ARG 99 2HD ARG 99 -14.107 -3.388 2.038
778 2HD ARG 99 1HD ARG 99 -14.670 -1.725 2.211
779 HE ARG 99 HE ARG 99 -12.747 -2.700 0.196
780 1HH1 ARG 99 1HH1 ARG 99 -14.941 -0.217 1.369
781 2HH1 ARG 99 2HH1 ARG 99 -14.932 0.659 -0.130
782 1HH2 ARG 99 1HH2 ARG 99 -12.720 -1.531 -1.741
783 2HH2 ARG 99 2HH2 ARG 99 -13.666 -0.076 -1.897
784 H ILE 100 H ILE 100 -12.952 1.326 5.183
785 HA ILE 100 HA ILE 100 -12.258 3.758 3.989
786 HB ILE 100 HB ILE 100 -14.418 3.380 5.076
787 1HG1 ILE 100 2HG1 ILE 100 -14.600 5.541 6.289
788 2HG1 ILE 100 1HG1 ILE 100 -12.844 5.667 6.283
789 1HG2 ILE 100 1HG2 ILE 100 -14.615 3.459 7.520
790 2HG2 ILE 100 2HG2 ILE 100 -12.854 3.455 7.644
791 3HG2 ILE 100 3HG2 ILE 100 -13.696 2.062 6.961
792 1HD1 ILE 100 1HD1 ILE 100 -14.616 5.601 3.851
793 2HD1 ILE 100 2HD1 ILE 100 -12.858 5.748 3.848
794 3HD1 ILE 100 3HD1 ILE 100 -13.851 7.031 4.543
795 H ALA 101 H ALA 101 -10.973 2.161 6.853
796 HA ALA 101 HA ALA 101 -9.536 4.323 7.936
797 1HB ALA 101 1HB ALA 101 -8.097 2.615 8.973
798 2HB ALA 101 2HB ALA 101 -8.838 1.385 7.949
799 3HB ALA 101 3HB ALA 101 -9.810 2.231 9.154
800 H LEU 102 H LEU 102 -8.527 1.785 5.657
801 HA LEU 102 HA LEU 102 -6.013 2.808 5.003
802 1HB LEU 102 2HB LEU 102 -6.628 0.598 4.318
803 2HB LEU 102 1HB LEU 102 -7.996 1.195 3.400
804 HG LEU 102 HG LEU 102 -6.442 2.257 1.804
805 1HD1 LEU 102 1HD1 LEU 102 -4.060 1.648 1.873
806 2HD1 LEU 102 2HD1 LEU 102 -4.314 0.904 3.454
807 3HD1 LEU 102 3HD1 LEU 102 -4.546 2.641 3.247
808 1HD2 LEU 102 1HD2 LEU 102 -6.014 -0.688 2.269
809 2HD2 LEU 102 2HD2 LEU 102 -5.613 0.171 0.783
810 3HD2 LEU 102 3HD2 LEU 102 -7.293 0.056 1.309
811 H GLU 103 H GLU 103 -9.185 3.423 3.559
812 HA GLU 103 HA GLU 103 -8.385 5.065 1.456
813 1HB GLU 103 2HB GLU 103 -10.739 4.047 2.190
814 2HB GLU 103 1HB GLU 103 -10.939 5.655 2.868
815 1HG GLU 103 2HG GLU 103 -10.694 6.689 0.753
816 2HG GLU 103 1HG GLU 103 -10.173 5.182 0.005
817 H ARG 104 H ARG 104 -9.190 5.881 4.803
818 HA ARG 104 HA ARG 104 -8.910 8.687 4.554
819 1HB ARG 104 2HB ARG 104 -8.686 6.840 6.926
820 2HB ARG 104 1HB ARG 104 -8.544 8.584 7.063
821 1HG ARG 104 2HG ARG 104 -10.805 8.868 6.263
822 2HG ARG 104 1HG ARG 104 -10.954 7.128 6.000
823 1HD ARG 104 2HD ARG 104 -11.990 7.957 8.126
824 2HD ARG 104 1HD ARG 104 -10.789 6.683 8.337
825 HE ARG 104 HE ARG 104 -9.664 9.308 8.557
826 1HH1 ARG 104 1HH1 ARG 104 -11.387 6.824 10.323
827 2HH1 ARG 104 2HH1 ARG 104 -10.785 7.334 11.873
828 1HH2 ARG 104 1HH2 ARG 104 -8.890 9.980 10.570
829 2HH2 ARG 104 2HH2 ARG 104 -9.390 9.146 12.013
830 H TYR 105 H TYR 105 -6.635 6.133 5.495
831 HA TYR 105 HA TYR 105 -4.549 7.923 6.152
832 1HB TYR 105 2HB TYR 105 -4.508 4.972 5.504
833 2HB TYR 105 1HB TYR 105 -3.126 5.878 6.105
834 HD1 TYR 105 HD1 TYR 105 -4.615 7.660 8.058
835 HD2 TYR 105 HD2 TYR 105 -4.832 3.475 7.327
836 HE1 TYR 105 HE1 TYR 105 -5.374 7.303 10.368
837 HE2 TYR 105 HE2 TYR 105 -5.596 3.111 9.636
838 HH TYR 105 HH TYR 105 -5.381 4.332 11.864
839 H LEU 106 H LEU 106 -5.419 6.197 3.185
840 HA LEU 106 HA LEU 106 -3.239 6.999 1.611
841 1HB LEU 106 2HB LEU 106 -6.128 6.648 0.797
842 2HB LEU 106 1HB LEU 106 -4.781 6.780 -0.316
843 HG LEU 106 HG LEU 106 -5.190 4.547 1.677
844 1HD1 LEU 106 1HD1 LEU 106 -5.499 4.585 -1.322
845 2HD1 LEU 106 2HD1 LEU 106 -6.810 4.495 -0.146
846 3HD1 LEU 106 3HD1 LEU 106 -5.653 3.171 -0.278
847 1HD2 LEU 106 1HD2 LEU 106 -2.832 4.947 1.278
848 2HD2 LEU 106 2HD2 LEU 106 -3.099 4.932 -0.465
849 3HD2 LEU 106 3HD2 LEU 106 -3.339 3.459 0.477
850 H ASN 107 H ASN 107 -6.277 8.588 2.379
851 HA ASN 107 HA ASN 107 -6.036 10.886 0.813
852 1HB ASN 107 2HB ASN 107 -7.602 10.024 3.144
853 2HB ASN 107 1HB ASN 107 -7.350 11.761 3.067
854 1HD2 ASN 107 1HD2 ASN 107 -8.674 8.978 1.410
855 2HD2 ASN 107 2HD2 ASN 107 -9.742 9.867 0.371
856 H GLY 108 H GLY 108 -4.929 10.267 4.130
857 1HA GLY 108 2HA GLY 108 -3.929 12.951 4.435
858 2HA GLY 108 1HA GLY 108 -3.754 11.635 5.581
859 H LEU 109 H LEU 109 -2.479 9.784 3.838
860 HA LEU 109 HA LEU 109 0.196 10.778 4.207
861 1HB LEU 109 2HB LEU 109 -0.289 8.535 4.876
862 2HB LEU 109 1HB LEU 109 -0.913 8.135 3.292
863 HG LEU 109 HG LEU 109 1.311 8.200 2.338
864 1HD1 LEU 109 1HD1 LEU 109 2.311 8.877 5.092
865 2HD1 LEU 109 2HD1 LEU 109 2.194 10.029 3.761
866 3HD1 LEU 109 3HD1 LEU 109 3.280 8.644 3.640
867 1HD2 LEU 109 1HD2 LEU 109 0.530 6.145 3.453
868 2HD2 LEU 109 2HD2 LEU 109 1.329 6.680 4.935
869 3HD2 LEU 109 3HD2 LEU 109 2.281 6.324 3.494
870 H PHE 110 H PHE 110 -1.736 9.731 1.409
871 HA PHE 110 HA PHE 110 0.504 10.483 -0.319
872 1HB PHE 110 2HB PHE 110 -1.980 8.871 -0.930
873 2HB PHE 110 1HB PHE 110 -0.687 9.217 -2.079
874 HD1 PHE 110 HD1 PHE 110 1.667 8.438 -1.460
875 HD2 PHE 110 HD2 PHE 110 -1.852 7.007 0.451
876 HE1 PHE 110 HE1 PHE 110 2.910 6.476 -0.657
877 HE2 PHE 110 HE2 PHE 110 -0.617 5.038 1.260
878 HZ PHE 110 HZ PHE 110 1.768 4.774 0.706
879 H GLY 111 H GLY 111 -2.584 11.576 0.672
880 1HA GLY 111 2HA GLY 111 -3.421 13.709 0.334
881 2HA GLY 111 1HA GLY 111 -2.136 13.993 -0.830
882 H ASP 112 H ASP 112 -5.398 12.988 -0.357
883 HA ASP 112 HA ASP 112 -5.867 12.113 -3.012
884 1HB ASP 112 2HB ASP 112 -7.303 11.309 -1.269
885 2HB ASP 112 1HB ASP 112 -7.693 12.955 -0.791
Start of MODEL 11
1 1H MET 1 1HT MET 1 -11.876 -5.595 9.541
2 2H MET 1 2HT MET 1 -13.236 -6.595 9.412
3 3H MET 1 3HT MET 1 -12.610 -5.834 8.035
4 HA MET 1 HA MET 1 -11.201 -7.884 9.639
5 1HB MET 1 2HB MET 1 -13.061 -8.867 8.409
6 2HB MET 1 1HB MET 1 -12.574 -8.034 6.942
7 1HG MET 1 2HG MET 1 -11.975 -10.390 6.881
8 2HG MET 1 1HG MET 1 -10.547 -9.359 6.830
9 1HE MET 1 1HE MET 1 -12.710 -11.818 8.993
10 2HE MET 1 2HE MET 1 -12.795 -10.323 9.923
11 3HE MET 1 3HE MET 1 -11.914 -11.711 10.563
12 H TYR 2 H TYR 2 -9.159 -8.472 8.822
13 HA TYR 2 HA TYR 2 -7.562 -6.444 7.775
14 1HB TYR 2 2HB TYR 2 -7.190 -9.424 7.983
15 2HB TYR 2 1HB TYR 2 -5.963 -8.403 7.238
16 HD1 TYR 2 HD1 TYR 2 -7.977 -8.671 10.373
17 HD2 TYR 2 HD2 TYR 2 -4.317 -7.467 8.570
18 HE1 TYR 2 HE1 TYR 2 -7.077 -8.122 12.588
19 HE2 TYR 2 HE2 TYR 2 -3.400 -6.917 10.785
20 HH TYR 2 HH TYR 2 -4.235 -6.303 13.012
21 H LEU 3 H LEU 3 -6.927 -5.871 5.780
22 HA LEU 3 HA LEU 3 -8.828 -6.484 3.724
23 1HB LEU 3 2HB LEU 3 -6.394 -4.705 3.627
24 2HB LEU 3 1HB LEU 3 -7.689 -4.740 2.450
25 HG LEU 3 HG LEU 3 -7.952 -3.866 5.328
26 1HD1 LEU 3 1HD1 LEU 3 -8.298 -1.643 4.381
27 2HD1 LEU 3 2HD1 LEU 3 -7.996 -2.282 2.765
28 3HD1 LEU 3 3HD1 LEU 3 -6.705 -2.279 3.967
29 1HD2 LEU 3 1HD2 LEU 3 -9.994 -4.914 4.522
30 2HD2 LEU 3 2HD2 LEU 3 -9.970 -3.890 3.086
31 3HD2 LEU 3 3HD2 LEU 3 -10.211 -3.171 4.677
32 H ARG 4 H ARG 4 -8.603 -7.751 2.022
33 HA ARG 4 HA ARG 4 -6.360 -9.483 1.710
34 1HB ARG 4 2HB ARG 4 -8.530 -8.902 -0.319
35 2HB ARG 4 1HB ARG 4 -7.536 -10.347 -0.212
36 1HG ARG 4 2HG ARG 4 -8.621 -10.974 1.863
37 2HG ARG 4 1HG ARG 4 -9.575 -9.490 1.830
38 1HD ARG 4 2HD ARG 4 -10.961 -11.247 1.011
39 2HD ARG 4 1HD ARG 4 -10.514 -10.240 -0.365
40 HE ARG 4 HE ARG 4 -9.023 -12.709 0.211
41 1HH1 ARG 4 1HH1 ARG 4 -11.054 -10.813 -1.936
42 2HH1 ARG 4 2HH1 ARG 4 -10.849 -11.897 -3.280
43 1HH2 ARG 4 1HH2 ARG 4 -8.792 -14.140 -1.544
44 2HH2 ARG 4 2HH2 ARG 4 -9.605 -13.807 -3.041
45 HA PRO 5 HA PRO 5 -3.542 -7.053 -0.690
46 1HB PRO 5 2HB PRO 5 -3.020 -8.952 -2.704
47 2HB PRO 5 1HB PRO 5 -2.120 -8.743 -1.200
48 1HG PRO 5 2HG PRO 5 -4.270 -10.692 -1.872
49 2HG PRO 5 1HG PRO 5 -2.854 -10.888 -0.821
50 1HD PRO 5 2HD PRO 5 -5.307 -10.567 0.199
51 2HD PRO 5 1HD PRO 5 -3.889 -9.833 0.973
52 H ASP 6 H ASP 6 -5.774 -8.992 -2.675
53 HA ASP 6 HA ASP 6 -5.811 -7.319 -4.924
54 1HB ASP 6 2HB ASP 6 -7.999 -8.451 -5.434
55 2HB ASP 6 1HB ASP 6 -6.666 -9.553 -5.105
56 H GLU 7 H GLU 7 -7.782 -7.302 -1.987
57 HA GLU 7 HA GLU 7 -9.579 -5.300 -2.898
58 1HB GLU 7 2HB GLU 7 -10.168 -6.864 -1.086
59 2HB GLU 7 1HB GLU 7 -8.938 -6.133 -0.060
60 1HG GLU 7 2HG GLU 7 -10.141 -4.180 0.222
61 2HG GLU 7 1HG GLU 7 -11.114 -4.451 -1.223
62 H VAL 8 H VAL 8 -6.613 -5.238 -0.973
63 HA VAL 8 HA VAL 8 -6.557 -2.503 -0.376
64 HB VAL 8 HB VAL 8 -4.213 -4.322 -0.984
65 1HG1 VAL 8 1HG1 VAL 8 -4.264 -1.672 0.460
66 2HG1 VAL 8 2HG1 VAL 8 -3.590 -1.964 -1.143
67 3HG1 VAL 8 3HG1 VAL 8 -2.858 -2.724 0.270
68 1HG2 VAL 8 1HG2 VAL 8 -4.035 -4.537 1.450
69 2HG2 VAL 8 2HG2 VAL 8 -5.578 -5.146 0.848
70 3HG2 VAL 8 3HG2 VAL 8 -5.498 -3.570 1.638
71 H ALA 9 H ALA 9 -5.220 -4.262 -3.156
72 HA ALA 9 HA ALA 9 -4.246 -2.079 -4.591
73 1HB ALA 9 1HB ALA 9 -5.405 -4.636 -5.698
74 2HB ALA 9 2HB ALA 9 -3.746 -4.420 -5.138
75 3HB ALA 9 3HB ALA 9 -4.325 -3.525 -6.545
76 H ARG 10 H ARG 10 -7.456 -3.548 -4.555
77 HA ARG 10 HA ARG 10 -8.623 -2.000 -6.573
78 1HB ARG 10 2HB ARG 10 -9.851 -3.881 -5.926
79 2HB ARG 10 1HB ARG 10 -9.737 -3.489 -4.216
80 1HG ARG 10 2HG ARG 10 -11.384 -1.828 -4.370
81 2HG ARG 10 1HG ARG 10 -11.273 -1.761 -6.127
82 1HD ARG 10 2HD ARG 10 -13.281 -2.967 -5.027
83 2HD ARG 10 1HD ARG 10 -12.481 -3.708 -6.411
84 HE ARG 10 HE ARG 10 -11.523 -5.311 -4.973
85 1HH1 ARG 10 1HH1 ARG 10 -13.652 -3.110 -3.254
86 2HH1 ARG 10 2HH1 ARG 10 -13.868 -4.193 -1.916
87 1HH2 ARG 10 1HH2 ARG 10 -11.832 -6.728 -3.247
88 2HH2 ARG 10 2HH2 ARG 10 -12.803 -6.238 -1.882
89 H VAL 11 H VAL 11 -8.528 -1.437 -3.043
90 HA VAL 11 HA VAL 11 -10.021 0.944 -3.082
91 HB VAL 11 HB VAL 11 -7.868 0.135 -1.114
92 1HG1 VAL 11 1HG1 VAL 11 -10.051 2.204 -0.859
93 2HG1 VAL 11 2HG1 VAL 11 -8.327 2.536 -1.027
94 3HG1 VAL 11 3HG1 VAL 11 -8.933 1.721 0.416
95 1HG2 VAL 11 1HG2 VAL 11 -10.865 -0.219 -1.052
96 2HG2 VAL 11 2HG2 VAL 11 -9.774 -0.571 0.289
97 3HG2 VAL 11 3HG2 VAL 11 -9.657 -1.497 -1.210
98 H LEU 12 H LEU 12 -6.515 0.412 -3.290
99 HA LEU 12 HA LEU 12 -5.704 3.090 -3.332
100 1HB LEU 12 2HB LEU 12 -4.451 0.816 -4.875
101 2HB LEU 12 1HB LEU 12 -3.671 2.316 -4.417
102 HG LEU 12 HG LEU 12 -4.569 0.136 -2.532
103 1HD1 LEU 12 1HD1 LEU 12 -1.818 1.038 -3.373
104 2HD1 LEU 12 2HD1 LEU 12 -2.611 -0.463 -3.852
105 3HD1 LEU 12 3HD1 LEU 12 -2.180 -0.194 -2.164
106 1HD2 LEU 12 1HD2 LEU 12 -4.774 2.316 -1.485
107 2HD2 LEU 12 2HD2 LEU 12 -3.134 2.730 -1.984
108 3HD2 LEU 12 3HD2 LEU 12 -3.399 1.437 -0.814
109 H GLU 13 H GLU 13 -6.342 0.892 -6.036
110 HA GLU 13 HA GLU 13 -5.944 2.735 -8.110
111 1HB GLU 13 2HB GLU 13 -6.077 0.188 -8.187
112 2HB GLU 13 1HB GLU 13 -7.822 0.382 -8.200
113 1HG GLU 13 2HG GLU 13 -7.682 1.638 -10.272
114 2HG GLU 13 1HG GLU 13 -5.924 1.489 -10.249
115 H LYS 14 H LYS 14 -8.827 1.806 -6.320
116 HA LYS 14 HA LYS 14 -10.798 3.168 -7.751
117 1HB LYS 14 2HB LYS 14 -11.000 1.524 -5.787
118 2HB LYS 14 1HB LYS 14 -10.755 2.915 -4.751
119 1HG LYS 14 2HG LYS 14 -13.097 2.458 -4.917
120 2HG LYS 14 1HG LYS 14 -12.745 3.976 -5.743
121 1HD LYS 14 2HD LYS 14 -12.908 2.938 -7.882
122 2HD LYS 14 1HD LYS 14 -12.953 1.328 -7.163
123 1HE LYS 14 2HE LYS 14 -15.058 3.455 -6.776
124 2HE LYS 14 1HE LYS 14 -15.176 2.116 -7.916
125 1HZ LYS 14 1HZ LYS 14 -14.990 0.580 -6.017
126 2HZ LYS 14 2HZ LYS 14 -16.360 1.573 -5.918
127 3HZ LYS 14 3HZ LYS 14 -15.007 1.908 -4.955
128 H ALA 15 H ALA 15 -8.759 4.218 -5.088
129 HA ALA 15 HA ALA 15 -9.849 6.791 -4.756
130 1HB ALA 15 1HB ALA 15 -7.849 7.301 -3.484
131 2HB ALA 15 2HB ALA 15 -7.039 5.882 -4.151
132 3HB ALA 15 3HB ALA 15 -8.431 5.682 -3.085
133 H GLY 16 H GLY 16 -7.562 5.535 -7.062
134 1HA GLY 16 2HA GLY 16 -7.607 7.097 -9.095
135 2HA GLY 16 1HA GLY 16 -6.970 8.278 -7.965
136 H PHE 17 H PHE 17 -5.814 5.186 -7.286
137 HA PHE 17 HA PHE 17 -3.209 5.886 -8.351
138 1HB PHE 17 2HB PHE 17 -4.218 3.747 -6.503
139 2HB PHE 17 1HB PHE 17 -2.625 3.626 -7.231
140 HD1 PHE 17 HD1 PHE 17 -0.838 4.458 -6.074
141 HD2 PHE 17 HD2 PHE 17 -4.701 6.091 -5.352
142 HE1 PHE 17 HE1 PHE 17 0.098 5.882 -4.297
143 HE2 PHE 17 HE2 PHE 17 -3.770 7.519 -3.575
144 HZ PHE 17 HZ PHE 17 -1.367 7.414 -3.046
145 H THR 18 H THR 18 -1.912 4.063 -9.306
146 HA THR 18 HA THR 18 -3.506 2.466 -11.181
147 HB THR 18 HB THR 18 -1.082 3.838 -12.246
148 HG1 THR 18 HG1 THR 18 -3.461 5.107 -11.455
149 1HG2 THR 18 1HG2 THR 18 -3.805 3.255 -13.404
150 2HG2 THR 18 2HG2 THR 18 -2.388 2.221 -13.576
151 3HG2 THR 18 3HG2 THR 18 -2.392 3.831 -14.294
152 H VAL 19 H VAL 19 -2.403 0.603 -11.963
153 HA VAL 19 HA VAL 19 -0.478 -0.451 -10.123
154 HB VAL 19 HB VAL 19 -2.239 -1.815 -11.319
155 1HG1 VAL 19 1HG1 VAL 19 -1.765 -2.662 -13.533
156 2HG1 VAL 19 2HG1 VAL 19 -0.294 -1.692 -13.622
157 3HG1 VAL 19 3HG1 VAL 19 -1.872 -0.902 -13.574
158 1HG2 VAL 19 1HG2 VAL 19 -0.814 -3.800 -11.550
159 2HG2 VAL 19 2HG2 VAL 19 -0.441 -2.881 -10.093
160 3HG2 VAL 19 3HG2 VAL 19 0.618 -2.770 -11.498
161 H ASP 20 H ASP 20 1.677 -0.954 -10.455
162 HA ASP 20 HA ASP 20 2.938 0.364 -12.772
163 1HB ASP 20 2HB ASP 20 3.573 1.337 -10.583
164 2HB ASP 20 1HB ASP 20 4.168 -0.236 -10.069
165 H VAL 21 H VAL 21 3.912 -2.133 -10.437
166 HA VAL 21 HA VAL 21 4.572 -3.841 -12.727
167 HB VAL 21 HB VAL 21 6.649 -3.111 -11.795
168 1HG1 VAL 21 1HG1 VAL 21 5.910 -2.367 -9.612
169 2HG1 VAL 21 2HG1 VAL 21 7.270 -3.478 -9.447
170 3HG1 VAL 21 3HG1 VAL 21 5.632 -4.035 -9.113
171 1HG2 VAL 21 1HG2 VAL 21 6.573 -5.442 -12.476
172 2HG2 VAL 21 2HG2 VAL 21 6.057 -5.913 -10.857
173 3HG2 VAL 21 3HG2 VAL 21 7.665 -5.232 -11.104
174 H VAL 22 H VAL 22 2.914 -5.197 -12.791
175 HA VAL 22 HA VAL 22 1.843 -6.345 -10.358
176 HB VAL 22 HB VAL 22 0.203 -5.749 -11.989
177 1HG1 VAL 22 1HG1 VAL 22 1.668 -7.521 -13.940
178 2HG1 VAL 22 2HG1 VAL 22 1.582 -5.758 -13.987
179 3HG1 VAL 22 3HG1 VAL 22 0.123 -6.720 -14.239
180 1HG2 VAL 22 1HG2 VAL 22 0.523 -8.748 -11.999
181 2HG2 VAL 22 2HG2 VAL 22 -0.964 -7.860 -12.332
182 3HG2 VAL 22 3HG2 VAL 22 -0.240 -7.794 -10.726
183 H THR 23 H THR 23 2.941 -7.938 -9.449
184 HA THR 23 HA THR 23 4.070 -10.014 -11.206
185 HB THR 23 HB THR 23 5.647 -10.527 -9.319
186 HG1 THR 23 HG1 THR 23 4.369 -8.268 -8.234
187 1HG2 THR 23 1HG2 THR 23 5.837 -7.744 -10.460
188 2HG2 THR 23 2HG2 THR 23 6.376 -9.225 -11.251
189 3HG2 THR 23 3HG2 THR 23 7.171 -8.674 -9.776
190 H ASN 24 H ASN 24 4.196 -12.186 -10.120
191 HA ASN 24 HA ASN 24 1.553 -12.854 -9.203
192 1HB ASN 24 2HB ASN 24 2.971 -14.238 -10.794
193 2HB ASN 24 1HB ASN 24 3.949 -14.690 -9.402
194 1HD2 ASN 24 1HD2 ASN 24 3.448 -16.844 -9.536
195 2HD2 ASN 24 2HD2 ASN 24 1.883 -17.467 -9.160
196 H LYS 25 H LYS 25 4.085 -11.581 -7.616
197 HA LYS 25 HA LYS 25 3.412 -12.980 -5.108
198 1HB LYS 25 2HB LYS 25 5.971 -11.512 -5.771
199 2HB LYS 25 1HB LYS 25 5.615 -12.337 -4.262
200 1HG LYS 25 2HG LYS 25 5.498 -14.474 -5.509
201 2HG LYS 25 1HG LYS 25 5.990 -13.606 -6.968
202 1HD LYS 25 2HD LYS 25 8.037 -12.865 -5.765
203 2HD LYS 25 1HD LYS 25 7.557 -13.879 -4.405
204 1HE LYS 25 2HE LYS 25 7.633 -15.850 -5.887
205 2HE LYS 25 1HE LYS 25 8.178 -14.812 -7.204
206 1HZ LYS 25 1HZ LYS 25 10.068 -15.869 -6.211
207 2HZ LYS 25 2HZ LYS 25 9.612 -15.355 -4.660
208 3HZ LYS 25 3HZ LYS 25 10.113 -14.221 -5.815
209 H THR 26 H THR 26 3.162 -10.091 -6.835
210 HA THR 26 HA THR 26 2.379 -8.548 -4.588
211 HB THR 26 HB THR 26 5.192 -8.395 -5.551
212 HG1 THR 26 HG1 THR 26 4.422 -9.294 -3.484
213 1HG2 THR 26 1HG2 THR 26 3.695 -5.989 -4.527
214 2HG2 THR 26 2HG2 THR 26 4.467 -6.179 -6.106
215 3HG2 THR 26 3HG2 THR 26 5.451 -6.114 -4.643
216 H TYR 27 H TYR 27 1.274 -6.722 -5.162
217 HA TYR 27 HA TYR 27 1.215 -6.030 -8.017
218 1HB TYR 27 2HB TYR 27 -0.685 -5.295 -5.781
219 2HB TYR 27 1HB TYR 27 -0.831 -4.730 -7.438
220 HD1 TYR 27 HD1 TYR 27 -1.156 -6.496 -9.256
221 HD2 TYR 27 HD2 TYR 27 -1.672 -7.296 -5.112
222 HE1 TYR 27 HE1 TYR 27 -2.534 -8.453 -9.815
223 HE2 TYR 27 HE2 TYR 27 -3.045 -9.261 -5.657
224 HH TYR 27 HH TYR 27 -4.437 -10.076 -7.525
225 H GLY 28 H GLY 28 2.985 -4.685 -8.262
226 1HA GLY 28 2HA GLY 28 3.583 -2.539 -6.486
227 2HA GLY 28 1HA GLY 28 4.161 -2.707 -8.141
228 H TYR 29 H TYR 29 2.757 -0.528 -6.370
229 HA TYR 29 HA TYR 29 0.829 0.293 -8.431
230 1HB TYR 29 2HB TYR 29 0.301 -0.402 -5.643
231 2HB TYR 29 1HB TYR 29 -0.295 1.192 -6.072
232 HD1 TYR 29 HD1 TYR 29 -2.315 1.420 -7.273
233 HD2 TYR 29 HD2 TYR 29 -0.405 -2.381 -7.097
234 HE1 TYR 29 HE1 TYR 29 -4.278 0.386 -8.333
235 HE2 TYR 29 HE2 TYR 29 -2.367 -3.424 -8.157
236 HH TYR 29 HH TYR 29 -4.888 -1.569 -9.592
237 H ARG 30 H ARG 30 0.512 2.558 -8.619
238 HA ARG 30 HA ARG 30 2.148 4.313 -6.994
239 1HB ARG 30 2HB ARG 30 3.369 5.257 -8.922
240 2HB ARG 30 1HB ARG 30 3.798 3.579 -8.614
241 1HG ARG 30 2HG ARG 30 2.598 2.821 -10.484
242 2HG ARG 30 1HG ARG 30 1.738 4.347 -10.648
243 1HD ARG 30 2HD ARG 30 3.591 5.443 -11.531
244 2HD ARG 30 1HD ARG 30 4.718 4.240 -10.903
245 HE ARG 30 HE ARG 30 4.106 2.780 -12.659
246 1HH1 ARG 30 1HH1 ARG 30 2.656 5.970 -12.949
247 2HH1 ARG 30 2HH1 ARG 30 2.289 5.776 -14.637
248 1HH2 ARG 30 1HH2 ARG 30 3.650 2.553 -14.873
249 2HH2 ARG 30 2HH2 ARG 30 2.853 3.842 -15.725
250 H ARG 31 H ARG 31 1.961 6.578 -7.677
251 HA ARG 31 HA ARG 31 0.027 7.262 -9.703
252 1HB ARG 31 2HB ARG 31 -1.321 6.975 -7.543
253 2HB ARG 31 1HB ARG 31 -0.445 8.375 -6.935
254 1HG ARG 31 2HG ARG 31 -1.266 9.636 -8.947
255 2HG ARG 31 1HG ARG 31 -2.309 8.256 -9.292
256 1HD ARG 31 2HD ARG 31 -3.603 9.866 -8.105
257 2HD ARG 31 1HD ARG 31 -3.282 8.525 -7.005
258 HE ARG 31 HE ARG 31 -1.285 10.508 -6.715
259 1HH1 ARG 31 1HH1 ARG 31 -4.691 10.020 -6.037
260 2HH1 ARG 31 2HH1 ARG 31 -4.681 11.033 -4.633
261 1HH2 ARG 31 1HH2 ARG 31 -1.274 11.854 -4.903
262 2HH2 ARG 31 2HH2 ARG 31 -2.723 12.085 -3.975
263 H GLY 32 H GLY 32 0.920 8.896 -10.779
264 1HA GLY 32 2HA GLY 32 2.234 10.717 -11.259
265 2HA GLY 32 1HA GLY 32 2.134 11.142 -9.555
266 H GLU 33 H GLU 33 3.920 11.000 -8.380
267 HA GLU 33 HA GLU 33 6.159 9.419 -9.464
268 1HB GLU 33 2HB GLU 33 6.213 12.068 -8.013
269 2HB GLU 33 1HB GLU 33 7.647 11.121 -8.393
270 1HG GLU 33 2HG GLU 33 7.296 11.378 -10.727
271 2HG GLU 33 1HG GLU 33 5.703 12.089 -10.468
272 H ASN 34 H ASN 34 3.942 9.123 -7.244
273 HA ASN 34 HA ASN 34 5.795 8.235 -5.135
274 1HB ASN 34 2HB ASN 34 2.852 8.884 -5.044
275 2HB ASN 34 1HB ASN 34 3.650 7.985 -3.759
276 1HD2 ASN 34 1HD2 ASN 34 3.105 11.065 -5.176
277 2HD2 ASN 34 2HD2 ASN 34 4.028 11.984 -4.033
278 H TYR 35 H TYR 35 5.935 6.129 -4.565
279 HA TYR 35 HA TYR 35 4.334 4.218 -6.135
280 1HB TYR 35 2HB TYR 35 7.290 4.127 -5.521
281 2HB TYR 35 1HB TYR 35 6.386 2.762 -6.161
282 HD1 TYR 35 HD1 TYR 35 7.391 6.263 -6.925
283 HD2 TYR 35 HD2 TYR 35 6.058 2.528 -8.465
284 HE1 TYR 35 HE1 TYR 35 7.852 7.045 -9.211
285 HE2 TYR 35 HE2 TYR 35 6.516 3.299 -10.748
286 HH TYR 35 HH TYR 35 6.932 5.145 -12.024
287 H VAL 36 H VAL 36 3.567 2.469 -5.097
288 HA VAL 36 HA VAL 36 4.626 1.788 -2.446
289 HB VAL 36 HB VAL 36 2.363 1.337 -1.587
290 1HG1 VAL 36 1HG1 VAL 36 3.374 3.488 -1.095
291 2HG1 VAL 36 2HG1 VAL 36 1.625 3.642 -1.265
292 3HG1 VAL 36 3HG1 VAL 36 2.688 4.164 -2.571
293 1HG2 VAL 36 1HG2 VAL 36 0.378 2.108 -2.757
294 2HG2 VAL 36 2HG2 VAL 36 1.245 0.923 -3.732
295 3HG2 VAL 36 3HG2 VAL 36 1.367 2.640 -4.119
296 H TYR 37 H TYR 37 3.756 -0.484 -1.810
297 HA TYR 37 HA TYR 37 3.431 -2.137 -4.220
298 1HB TYR 37 2HB TYR 37 5.402 -2.622 -1.979
299 2HB TYR 37 1HB TYR 37 4.994 -3.815 -3.205
300 HD1 TYR 37 HD1 TYR 37 7.049 -0.986 -2.383
301 HD2 TYR 37 HD2 TYR 37 5.517 -3.265 -5.634
302 HE1 TYR 37 HE1 TYR 37 8.794 -0.062 -3.850
303 HE2 TYR 37 HE2 TYR 37 7.258 -2.346 -7.108
304 HH TYR 37 HH TYR 37 8.713 -0.407 -7.249
305 H VAL 38 H VAL 38 1.792 -3.515 -4.053
306 HA VAL 38 HA VAL 38 0.663 -4.037 -1.405
307 HB VAL 38 HB VAL 38 -0.445 -4.779 -4.111
308 1HG1 VAL 38 1HG1 VAL 38 -2.558 -5.081 -2.885
309 2HG1 VAL 38 2HG1 VAL 38 -1.698 -4.783 -1.375
310 3HG1 VAL 38 3HG1 VAL 38 -1.298 -6.194 -2.353
311 1HG2 VAL 38 1HG2 VAL 38 -1.984 -2.902 -3.820
312 2HG2 VAL 38 2HG2 VAL 38 -0.308 -2.361 -3.887
313 3HG2 VAL 38 3HG2 VAL 38 -1.146 -2.448 -2.339
314 H ASN 39 H ASN 39 1.333 -5.786 -0.372
315 HA ASN 39 HA ASN 39 2.816 -7.855 -1.658
316 1HB ASN 39 2HB ASN 39 3.128 -7.149 0.734
317 2HB ASN 39 1HB ASN 39 1.587 -7.912 1.104
318 1HD2 ASN 39 1HD2 ASN 39 3.981 -9.142 -1.162
319 2HD2 ASN 39 2HD2 ASN 39 4.369 -10.564 -0.256
320 H ARG 40 H ARG 40 1.828 -9.160 -3.032
321 HA ARG 40 HA ARG 40 -0.960 -9.809 -2.790
322 1HB ARG 40 2HB ARG 40 0.013 -9.412 -4.984
323 2HB ARG 40 1HB ARG 40 1.172 -10.706 -4.742
324 1HG ARG 40 2HG ARG 40 -1.674 -11.456 -4.571
325 2HG ARG 40 1HG ARG 40 -1.073 -10.978 -6.160
326 1HD ARG 40 2HD ARG 40 0.743 -12.613 -5.951
327 2HD ARG 40 1HD ARG 40 0.108 -13.104 -4.383
328 HE ARG 40 HE ARG 40 -1.703 -13.294 -6.665
329 1HH1 ARG 40 1HH1 ARG 40 0.447 -14.974 -4.444
330 2HH1 ARG 40 2HH1 ARG 40 -0.153 -16.541 -4.881
331 1HH2 ARG 40 1HH2 ARG 40 -2.490 -15.371 -7.204
332 2HH2 ARG 40 2HH2 ARG 40 -1.800 -16.773 -6.430
333 H GLU 41 H GLU 41 2.046 -11.179 -1.870
334 HA GLU 41 HA GLU 41 0.956 -13.813 -1.383
335 1HB GLU 41 2HB GLU 41 3.656 -12.581 -0.848
336 2HB GLU 41 1HB GLU 41 3.233 -14.213 -0.345
337 1HG GLU 41 2HG GLU 41 3.181 -13.210 -3.183
338 2HG GLU 41 1HG GLU 41 4.485 -14.149 -2.460
339 H ALA 42 H ALA 42 0.351 -11.047 0.093
340 HA ALA 42 HA ALA 42 0.811 -11.704 2.841
341 1HB ALA 42 1HB ALA 42 0.500 -9.384 2.125
342 2HB ALA 42 2HB ALA 42 -0.692 -9.846 3.340
343 3HB ALA 42 3HB ALA 42 -1.157 -9.753 1.642
344 H ARG 43 H ARG 43 0.027 -13.707 3.281
345 HA ARG 43 HA ARG 43 -2.678 -14.442 2.511
346 1HB ARG 43 2HB ARG 43 -0.691 -15.996 4.181
347 2HB ARG 43 1HB ARG 43 -2.133 -16.626 3.399
348 1HG ARG 43 2HG ARG 43 0.266 -15.505 1.966
349 2HG ARG 43 1HG ARG 43 -0.083 -17.219 2.197
350 1HD ARG 43 2HD ARG 43 -2.086 -17.045 0.885
351 2HD ARG 43 1HD ARG 43 -1.915 -15.293 0.775
352 HE ARG 43 HE ARG 43 0.044 -15.659 -0.617
353 1HH1 ARG 43 1HH1 ARG 43 -2.011 -18.428 -0.074
354 2HH1 ARG 43 2HH1 ARG 43 -1.520 -19.247 -1.526
355 1HH2 ARG 43 1HH2 ARG 43 0.713 -16.704 -2.526
356 2HH2 ARG 43 2HH2 ARG 43 0.052 -18.269 -2.917
357 H MET 44 H MET 44 -1.067 -13.008 5.096
358 HA MET 44 HA MET 44 -2.865 -13.789 7.200
359 1HB MET 44 2HB MET 44 -1.029 -11.392 7.173
360 2HB MET 44 1HB MET 44 -1.672 -12.234 8.573
361 1HG MET 44 2HG MET 44 -0.281 -14.127 8.162
362 2HG MET 44 1HG MET 44 0.249 -13.464 6.616
363 1HE MET 44 1HE MET 44 3.542 -13.158 8.648
364 2HE MET 44 2HE MET 44 2.803 -13.667 7.130
365 3HE MET 44 3HE MET 44 2.384 -14.486 8.633
366 H GLY 45 H GLY 45 -2.820 -11.416 4.708
367 1HA GLY 45 2HA GLY 45 -4.292 -9.709 4.193
368 2HA GLY 45 1HA GLY 45 -5.234 -10.143 5.616
369 H ARG 46 H ARG 46 -2.010 -9.807 6.402
370 HA ARG 46 HA ARG 46 -2.586 -7.269 7.726
371 1HB ARG 46 2HB ARG 46 -1.827 -9.148 9.121
372 2HB ARG 46 1HB ARG 46 -0.342 -9.247 8.184
373 1HG ARG 46 2HG ARG 46 0.305 -7.031 8.938
374 2HG ARG 46 1HG ARG 46 -1.205 -6.885 9.839
375 1HD ARG 46 2HD ARG 46 0.508 -7.492 11.386
376 2HD ARG 46 1HD ARG 46 -0.529 -8.897 11.152
377 HE ARG 46 HE ARG 46 1.564 -9.155 9.355
378 1HH1 ARG 46 1HH1 ARG 46 1.145 -8.989 12.812
379 2HH1 ARG 46 2HH1 ARG 46 2.538 -9.960 13.170
380 1HH2 ARG 46 1HH2 ARG 46 3.438 -10.431 9.807
381 2HH2 ARG 46 2HH2 ARG 46 3.857 -10.755 11.467
382 H THR 47 H THR 47 0.293 -8.751 6.227
383 HA THR 47 HA THR 47 1.616 -6.229 5.994
384 HB THR 47 HB THR 47 3.355 -7.619 4.793
385 HG1 THR 47 HG1 THR 47 2.714 -9.521 4.121
386 1HG2 THR 47 1HG2 THR 47 2.402 -8.602 7.489
387 2HG2 THR 47 2HG2 THR 47 3.477 -7.234 7.202
388 3HG2 THR 47 3HG2 THR 47 4.006 -8.869 6.809
389 H ALA 48 H ALA 48 -0.863 -6.394 4.460
390 HA ALA 48 HA ALA 48 -0.320 -7.030 1.742
391 1HB ALA 48 1HB ALA 48 -2.553 -7.198 2.754
392 2HB ALA 48 2HB ALA 48 -2.541 -6.210 1.293
393 3HB ALA 48 3HB ALA 48 -2.610 -5.439 2.878
394 H LEU 49 H LEU 49 -0.147 -4.053 3.604
395 HA LEU 49 HA LEU 49 0.310 -2.594 1.094
396 1HB LEU 49 2HB LEU 49 -1.530 -1.732 2.484
397 2HB LEU 49 1HB LEU 49 -0.401 -1.476 3.802
398 HG LEU 49 HG LEU 49 0.849 0.132 2.360
399 1HD1 LEU 49 1HD1 LEU 49 -1.487 -0.273 0.506
400 2HD1 LEU 49 2HD1 LEU 49 0.198 -0.676 0.182
401 3HD1 LEU 49 3HD1 LEU 49 -0.288 1.010 0.362
402 1HD2 LEU 49 1HD2 LEU 49 -0.746 0.937 3.995
403 2HD2 LEU 49 2HD2 LEU 49 -2.063 0.741 2.839
404 3HD2 LEU 49 3HD2 LEU 49 -0.802 1.939 2.544
405 H ILE 50 H ILE 50 2.349 -2.386 0.606
406 HA ILE 50 HA ILE 50 4.282 -1.713 2.734
407 HB ILE 50 HB ILE 50 5.001 -2.571 -0.068
408 1HG1 ILE 50 2HG1 ILE 50 3.664 -4.378 0.970
409 2HG1 ILE 50 1HG1 ILE 50 5.339 -4.848 0.725
410 1HG2 ILE 50 1HG2 ILE 50 7.149 -3.140 0.996
411 2HG2 ILE 50 2HG2 ILE 50 6.522 -2.533 2.532
412 3HG2 ILE 50 3HG2 ILE 50 6.731 -1.434 1.170
413 1HD1 ILE 50 1HD1 ILE 50 4.059 -4.032 3.320
414 2HD1 ILE 50 2HD1 ILE 50 5.772 -4.392 3.111
415 3HD1 ILE 50 3HD1 ILE 50 4.566 -5.654 2.849
416 H ILE 51 H ILE 51 5.202 0.308 2.662
417 HA ILE 51 HA ILE 51 4.614 1.918 0.258
418 HB ILE 51 HB ILE 51 4.498 3.910 1.588
419 1HG1 ILE 51 2HG1 ILE 51 4.962 2.217 4.044
420 2HG1 ILE 51 1HG1 ILE 51 6.228 3.155 3.260
421 1HG2 ILE 51 1HG2 ILE 51 2.851 1.722 2.850
422 2HG2 ILE 51 2HG2 ILE 51 2.433 2.637 1.400
423 3HG2 ILE 51 3HG2 ILE 51 2.520 3.452 2.965
424 1HD1 ILE 51 1HD1 ILE 51 3.704 4.273 4.460
425 2HD1 ILE 51 2HD1 ILE 51 5.000 5.205 3.710
426 3HD1 ILE 51 3HD1 ILE 51 5.306 4.307 5.197
427 H HIS 52 H HIS 52 6.132 3.739 -0.064
428 HA HIS 52 HA HIS 52 8.845 2.937 -0.071
429 1HB HIS 52 2HB HIS 52 7.867 4.512 -1.716
430 2HB HIS 52 1HB HIS 52 7.622 5.689 -0.435
431 HD1 HIS 52 HD1 HIS 52 9.932 6.539 0.742
432 HD2 HIS 52 HD2 HIS 52 10.273 4.749 -2.995
433 HE1 HIS 52 HE1 HIS 52 12.212 7.168 -0.096
434 HE2 HIS 52 HE2 HIS 52 12.300 6.278 -2.459
435 HA PRO 53 HA PRO 53 10.242 4.214 4.033
436 1HB PRO 53 2HB PRO 53 12.682 4.961 2.499
437 2HB PRO 53 1HB PRO 53 12.526 3.975 3.961
438 1HG PRO 53 2HG PRO 53 12.987 2.818 1.615
439 2HG PRO 53 1HG PRO 53 11.858 2.088 2.772
440 1HD PRO 53 2HD PRO 53 11.281 3.645 0.287
441 2HD PRO 53 1HD PRO 53 10.450 2.220 0.944
442 H ARG 54 H ARG 54 12.074 6.245 4.481
443 HA ARG 54 HA ARG 54 12.269 8.491 4.771
444 1HB ARG 54 2HB ARG 54 12.207 8.828 2.356
445 2HB ARG 54 1HB ARG 54 10.450 8.732 2.367
446 1HG ARG 54 2HG ARG 54 10.596 10.733 4.013
447 2HG ARG 54 1HG ARG 54 12.223 10.925 3.360
448 1HD ARG 54 2HD ARG 54 11.275 11.050 1.091
449 2HD ARG 54 1HD ARG 54 9.658 10.917 1.778
450 HE ARG 54 HE ARG 54 11.493 13.197 2.184
451 1HH1 ARG 54 1HH1 ARG 54 8.252 11.855 2.120
452 2HH1 ARG 54 2HH1 ARG 54 7.479 13.393 2.336
453 1HH2 ARG 54 1HH2 ARG 54 10.454 15.229 2.431
454 2HH2 ARG 54 2HH2 ARG 54 8.717 15.295 2.520
455 H LEU 55 H LEU 55 8.978 7.542 3.910
456 HA LEU 55 HA LEU 55 7.772 9.490 5.657
457 1HB LEU 55 2HB LEU 55 6.731 7.333 3.846
458 2HB LEU 55 1HB LEU 55 5.665 8.235 4.904
459 HG LEU 55 HG LEU 55 7.439 9.535 2.843
460 1HD1 LEU 55 1HD1 LEU 55 4.523 8.781 2.662
461 2HD1 LEU 55 2HD1 LEU 55 5.842 8.066 1.732
462 3HD1 LEU 55 3HD1 LEU 55 5.408 9.760 1.490
463 1HD2 LEU 55 1HD2 LEU 55 5.892 11.428 3.209
464 2HD2 LEU 55 2HD2 LEU 55 6.798 10.990 4.658
465 3HD2 LEU 55 3HD2 LEU 55 5.110 10.503 4.496
466 H LYS 56 H LYS 56 9.424 7.225 6.802
467 HA LYS 56 HA LYS 56 7.750 5.289 7.952
468 1HB LYS 56 2HB LYS 56 10.296 5.278 7.783
469 2HB LYS 56 1HB LYS 56 10.293 6.307 9.209
470 1HG LYS 56 2HG LYS 56 9.231 4.586 10.514
471 2HG LYS 56 1HG LYS 56 9.040 3.567 9.084
472 1HD LYS 56 2HD LYS 56 11.551 3.606 8.864
473 2HD LYS 56 1HD LYS 56 11.602 4.379 10.446
474 1HE LYS 56 2HE LYS 56 10.300 1.713 9.912
475 2HE LYS 56 1HE LYS 56 11.959 1.901 10.468
476 1HZ LYS 56 1HZ LYS 56 11.038 3.107 12.426
477 2HZ LYS 56 2HZ LYS 56 10.607 1.471 12.343
478 3HZ LYS 56 3HZ LYS 56 9.482 2.664 11.920
479 H ASP 57 H ASP 57 8.927 8.391 9.207
480 HA ASP 57 HA ASP 57 7.638 8.119 11.737
481 1HB ASP 57 2HB ASP 57 8.327 10.406 12.132
482 2HB ASP 57 1HB ASP 57 9.649 9.539 11.358
483 H ARG 58 H ARG 58 6.839 9.755 8.719
484 HA ARG 58 HA ARG 58 4.576 11.146 9.692
485 1HB ARG 58 2HB ARG 58 5.833 11.719 7.616
486 2HB ARG 58 1HB ARG 58 5.164 10.283 6.854
487 1HG ARG 58 2HG ARG 58 3.971 12.323 6.212
488 2HG ARG 58 1HG ARG 58 2.924 11.181 7.061
489 1HD ARG 58 2HD ARG 58 3.129 12.438 9.102
490 2HD ARG 58 1HD ARG 58 4.309 13.520 8.363
491 HE ARG 58 HE ARG 58 2.246 13.948 6.771
492 1HH1 ARG 58 1HH1 ARG 58 2.275 13.557 10.246
493 2HH1 ARG 58 2HH1 ARG 58 0.973 14.672 10.526
494 1HH2 ARG 58 1HH2 ARG 58 0.551 15.426 7.105
495 2HH2 ARG 58 2HH2 ARG 58 -0.012 15.759 8.715
496 H SER 59 H SER 59 4.928 8.131 7.867
497 HA SER 59 HA SER 59 2.212 7.465 7.763
498 1HB SER 59 2HB SER 59 3.642 6.321 6.297
499 2HB SER 59 1HB SER 59 4.757 5.872 7.577
500 HG SER 59 HG SER 59 2.276 4.757 6.863
501 H SER 60 H SER 60 4.654 6.882 10.259
502 HA SER 60 HA SER 60 3.223 5.032 11.800
503 1HB SER 60 2HB SER 60 5.304 7.060 12.632
504 2HB SER 60 1HB SER 60 4.679 5.797 13.693
505 HG SER 60 HG SER 60 6.167 5.508 11.298
506 H SER 61 H SER 61 2.860 8.494 11.535
507 HA SER 61 HA SER 61 1.209 8.591 13.923
508 1HB SER 61 2HB SER 61 0.959 11.032 13.300
509 2HB SER 61 1HB SER 61 2.604 10.501 13.639
510 HG SER 61 HG SER 61 1.919 10.242 10.999
511 H LEU 62 H LEU 62 0.659 7.386 11.038
512 HA LEU 62 HA LEU 62 -2.125 8.358 10.915
513 1HB LEU 62 2HB LEU 62 -0.379 7.297 8.690
514 2HB LEU 62 1HB LEU 62 -2.081 7.686 8.523
515 HG LEU 62 HG LEU 62 0.076 9.679 9.226
516 1HD1 LEU 62 1HD1 LEU 62 0.336 8.870 6.950
517 2HD1 LEU 62 2HD1 LEU 62 -0.266 10.528 6.955
518 3HD1 LEU 62 3HD1 LEU 62 -1.368 9.189 6.625
519 1HD2 LEU 62 1HD2 LEU 62 -2.110 10.256 10.131
520 2HD2 LEU 62 2HD2 LEU 62 -2.838 10.032 8.538
521 3HD2 LEU 62 3HD2 LEU 62 -1.675 11.334 8.804
522 H ALA 63 H ALA 63 0.014 5.609 10.389
523 HA ALA 63 HA ALA 63 -2.041 3.807 11.419
524 1HB ALA 63 1HB ALA 63 -2.318 3.736 8.999
525 2HB ALA 63 2HB ALA 63 -1.653 2.211 9.590
526 3HB ALA 63 3HB ALA 63 -0.600 3.386 8.799
527 H ASP 64 H ASP 64 -0.884 1.474 11.503
528 HA ASP 64 HA ASP 64 1.769 2.018 12.652
529 1HB ASP 64 2HB ASP 64 1.422 0.331 14.291
530 2HB ASP 64 1HB ASP 64 -0.039 1.308 14.268
531 HA PRO 65 HA PRO 65 3.368 -0.791 9.620
532 1HB PRO 65 2HB PRO 65 5.787 -0.979 11.225
533 2HB PRO 65 1HB PRO 65 5.551 -0.191 9.664
534 1HG PRO 65 2HG PRO 65 6.018 1.184 11.957
535 2HG PRO 65 1HG PRO 65 5.065 1.836 10.614
536 1HD PRO 65 2HD PRO 65 4.130 0.616 13.185
537 2HD PRO 65 1HD PRO 65 3.510 2.039 12.320
538 H ALA 66 H ALA 66 3.449 -2.958 9.381
539 HA ALA 66 HA ALA 66 2.844 -4.624 11.663
540 1HB ALA 66 1HB ALA 66 3.282 -5.390 8.773
541 2HB ALA 66 2HB ALA 66 1.729 -4.970 9.497
542 3HB ALA 66 3HB ALA 66 2.587 -6.413 10.034
543 H SER 67 H SER 67 5.573 -3.334 10.678
544 HA SER 67 HA SER 67 7.338 -5.193 11.879
545 1HB SER 67 2HB SER 67 6.933 -6.324 9.687
546 2HB SER 67 1HB SER 67 7.547 -4.882 8.884
547 HG SER 67 HG SER 67 8.912 -6.827 10.377
548 H ASP 68 H ASP 68 9.093 -4.007 9.578
549 HA ASP 68 HA ASP 68 9.249 -1.205 10.286
550 1HB ASP 68 2HB ASP 68 11.085 -3.252 11.310
551 2HB ASP 68 1HB ASP 68 11.888 -1.931 10.486
552 H ILE 69 H ILE 69 11.372 -3.670 8.882
553 HA ILE 69 HA ILE 69 10.950 -2.447 6.246
554 HB ILE 69 HB ILE 69 13.315 -2.896 5.650
555 1HG1 ILE 69 2HG1 ILE 69 13.644 -3.421 8.605
556 2HG1 ILE 69 1HG1 ILE 69 13.786 -4.620 7.332
557 1HG2 ILE 69 1HG2 ILE 69 12.656 -0.650 6.301
558 2HG2 ILE 69 2HG2 ILE 69 14.301 -0.998 6.839
559 3HG2 ILE 69 3HG2 ILE 69 12.968 -1.035 7.995
560 1HD1 ILE 69 1HD1 ILE 69 15.587 -2.241 7.712
561 2HD1 ILE 69 2HD1 ILE 69 15.729 -3.453 6.439
562 3HD1 ILE 69 3HD1 ILE 69 15.966 -3.912 8.126
563 H LYS 70 H LYS 70 10.453 -3.901 4.721
564 HA LYS 70 HA LYS 70 11.084 -6.728 5.264
565 1HB LYS 70 2HB LYS 70 8.643 -6.367 5.191
566 2HB LYS 70 1HB LYS 70 8.796 -5.649 3.590
567 1HG LYS 70 2HG LYS 70 9.678 -7.772 2.735
568 2HG LYS 70 1HG LYS 70 9.478 -8.488 4.331
569 1HD LYS 70 2HD LYS 70 7.072 -8.161 4.197
570 2HD LYS 70 1HD LYS 70 7.249 -7.367 2.629
571 1HE LYS 70 2HE LYS 70 8.200 -9.432 1.704
572 2HE LYS 70 1HE LYS 70 8.001 -10.222 3.264
573 1HZ LYS 70 1HZ LYS 70 5.770 -9.130 1.639
574 2HZ LYS 70 2HZ LYS 70 5.633 -10.023 3.074
575 3HZ LYS 70 3HZ LYS 70 6.231 -10.760 1.669
576 H THR 71 H THR 71 12.820 -7.248 4.145
577 HA THR 71 HA THR 71 13.428 -5.958 1.647
578 HB THR 71 HB THR 71 15.355 -7.696 1.694
579 HG1 THR 71 HG1 THR 71 15.772 -8.589 3.688
580 1HG2 THR 71 1HG2 THR 71 15.129 -5.531 3.787
581 2HG2 THR 71 2HG2 THR 71 15.696 -5.336 2.126
582 3HG2 THR 71 3HG2 THR 71 16.631 -6.296 3.269
583 H CYS 72 H CYS 72 13.272 -6.771 -0.340
584 HA CYS 72 HA CYS 72 12.847 -9.537 -0.913
585 1HB CYS 72 2HB CYS 72 10.566 -8.792 -0.155
586 2HB CYS 72 1HB CYS 72 10.556 -7.641 -1.486
587 HG CYS 72 HG CYS 72 10.744 -11.040 -1.863
588 H ASP 73 H ASP 73 12.583 -9.846 -3.291
589 HA ASP 73 HA ASP 73 14.340 -8.013 -4.660
590 1HB ASP 73 2HB ASP 73 14.547 -10.473 -4.890
591 2HB ASP 73 1HB ASP 73 12.971 -10.518 -5.667
592 H HIS 74 H HIS 74 11.020 -8.159 -4.197
593 HA HIS 74 HA HIS 74 10.476 -6.851 -6.781
594 1HB HIS 74 2HB HIS 74 8.678 -8.442 -4.964
595 2HB HIS 74 1HB HIS 74 8.047 -7.425 -6.253
596 HD1 HIS 74 HD1 HIS 74 7.140 -9.908 -7.018
597 HD2 HIS 74 HD2 HIS 74 11.192 -9.116 -7.488
598 HE1 HIS 74 HE1 HIS 74 7.989 -11.656 -8.614
599 HE2 HIS 74 HE2 HIS 74 10.408 -11.054 -9.014
600 H TYR 75 H TYR 75 11.225 -5.873 -3.835
601 HA TYR 75 HA TYR 75 9.266 -3.665 -3.845
602 1HB TYR 75 2HB TYR 75 10.904 -4.787 -1.562
603 2HB TYR 75 1HB TYR 75 9.965 -3.306 -1.454
604 HD1 TYR 75 HD1 TYR 75 7.684 -4.654 -3.265
605 HD2 TYR 75 HD2 TYR 75 9.681 -5.682 0.346
606 HE1 TYR 75 HE1 TYR 75 5.712 -5.937 -2.545
607 HE2 TYR 75 HE2 TYR 75 7.722 -6.971 1.073
608 HH TYR 75 HH TYR 75 5.162 -6.855 0.534
609 H GLN 76 H GLN 76 11.080 -3.192 -5.679
610 HA GLN 76 HA GLN 76 13.652 -2.558 -4.788
611 1HB GLN 76 2HB GLN 76 13.964 -1.505 -6.998
612 2HB GLN 76 1HB GLN 76 13.375 -3.149 -7.066
613 1HG GLN 76 2HG GLN 76 11.410 -0.925 -7.201
614 2HG GLN 76 1HG GLN 76 12.411 -1.253 -8.609
615 1HE2 GLN 76 1HE2 GLN 76 10.664 -1.896 -9.843
616 2HE2 GLN 76 2HE2 GLN 76 9.857 -3.403 -9.593
617 H ASN 77 H ASN 77 10.952 -0.343 -5.593
618 HA ASN 77 HA ASN 77 10.880 1.934 -5.594
619 1HB ASN 77 2HB ASN 77 11.873 1.198 -2.878
620 2HB ASN 77 1HB ASN 77 11.838 2.899 -3.322
621 1HD2 ASN 77 1HD2 ASN 77 9.475 2.504 -5.052
622 2HD2 ASN 77 2HD2 ASN 77 8.140 2.349 -3.964
623 H PHE 78 H PHE 78 13.637 2.293 -3.571
624 HA PHE 78 HA PHE 78 15.502 2.646 -5.730
625 1HB PHE 78 2HB PHE 78 14.630 4.995 -4.050
626 2HB PHE 78 1HB PHE 78 16.151 4.968 -4.930
627 HD1 PHE 78 HD1 PHE 78 16.046 4.648 -7.457
628 HD2 PHE 78 HD2 PHE 78 12.664 5.672 -5.084
629 HE1 PHE 78 HE1 PHE 78 14.897 5.489 -9.463
630 HE2 PHE 78 HE2 PHE 78 11.510 6.512 -7.086
631 HZ PHE 78 HZ PHE 78 12.626 6.423 -9.277
632 HA PRO 79 HA PRO 79 17.350 3.382 -0.968
633 1HB PRO 79 2HB PRO 79 15.500 1.227 -0.109
634 2HB PRO 79 1HB PRO 79 16.072 2.643 0.774
635 1HG PRO 79 2HG PRO 79 13.623 2.367 -0.643
636 2HG PRO 79 1HG PRO 79 14.259 3.819 0.135
637 1HD PRO 79 2HD PRO 79 13.874 3.482 -2.586
638 2HD PRO 79 1HD PRO 79 14.932 4.698 -1.843
639 H LEU 80 H LEU 80 16.086 0.090 -1.344
640 HA LEU 80 HA LEU 80 17.094 -1.948 -1.594
641 1HB LEU 80 2HB LEU 80 18.159 -0.520 -3.580
642 2HB LEU 80 1HB LEU 80 19.619 -0.751 -2.639
643 HG LEU 80 HG LEU 80 17.898 -2.882 -3.897
644 1HD1 LEU 80 1HD1 LEU 80 20.009 -3.420 -5.072
645 2HD1 LEU 80 2HD1 LEU 80 20.737 -1.987 -4.345
646 3HD1 LEU 80 3HD1 LEU 80 19.376 -1.818 -5.456
647 1HD2 LEU 80 1HD2 LEU 80 20.300 -3.235 -2.115
648 2HD2 LEU 80 2HD2 LEU 80 19.488 -4.510 -3.025
649 3HD2 LEU 80 3HD2 LEU 80 18.637 -3.675 -1.723
650 H TYR 81 H TYR 81 17.918 -3.163 -0.022
651 HA TYR 81 HA TYR 81 19.807 -1.968 1.856
652 1HB TYR 81 2HB TYR 81 17.748 -3.250 2.622
653 2HB TYR 81 1HB TYR 81 18.530 -4.706 2.015
654 HD1 TYR 81 HD1 TYR 81 18.287 -2.372 4.731
655 HD2 TYR 81 HD2 TYR 81 20.730 -5.418 3.041
656 HE1 TYR 81 HE1 TYR 81 19.459 -2.610 6.878
657 HE2 TYR 81 HE2 TYR 81 21.909 -5.666 5.181
658 HH TYR 81 HH TYR 81 22.383 -4.280 7.180
659 H LEU 82 H LEU 82 21.860 -2.097 1.228
660 HA LEU 82 HA LEU 82 22.722 -4.273 -0.490
661 1HB LEU 82 2HB LEU 82 24.067 -1.762 0.473
662 2HB LEU 82 1HB LEU 82 24.947 -3.014 -0.378
663 HG LEU 82 HG LEU 82 23.286 -2.732 -2.273
664 1HD1 LEU 82 1HD1 LEU 82 21.524 -1.580 -1.062
665 2HD1 LEU 82 2HD1 LEU 82 22.116 -0.589 -2.394
666 3HD1 LEU 82 3HD1 LEU 82 22.611 -0.228 -0.740
667 1HD2 LEU 82 1HD2 LEU 82 25.057 -0.415 -1.528
668 2HD2 LEU 82 2HD2 LEU 82 24.414 -0.736 -3.139
669 3HD2 LEU 82 3HD2 LEU 82 25.541 -1.871 -2.397
670 H GLY 83 H GLY 83 22.768 -6.087 0.770
671 1HA GLY 83 2HA GLY 83 24.294 -6.170 3.216
672 2HA GLY 83 1HA GLY 83 23.556 -7.539 2.392
673 H GLY 84 H GLY 84 25.633 -8.579 2.988
674 1HA GLY 84 2HA GLY 84 28.013 -7.706 1.605
675 2HA GLY 84 1HA GLY 84 27.853 -9.142 2.604
676 H GLU 85 H GLU 85 25.656 -10.299 1.285
677 HA GLU 85 HA GLU 85 26.976 -11.312 -1.092
678 1HB GLU 85 2HB GLU 85 24.499 -12.205 0.393
679 2HB GLU 85 1HB GLU 85 25.170 -13.015 -1.005
680 1HG GLU 85 2HG GLU 85 26.524 -12.652 1.647
681 2HG GLU 85 1HG GLU 85 25.809 -14.141 1.032
682 H THR 86 H THR 86 23.780 -11.895 -1.510
683 HA THR 86 HA THR 86 23.562 -9.978 -3.632
684 HB THR 86 HB THR 86 21.199 -11.034 -3.802
685 HG1 THR 86 HG1 THR 86 22.339 -13.185 -2.377
686 1HG2 THR 86 1HG2 THR 86 23.673 -12.730 -4.170
687 2HG2 THR 86 2HG2 THR 86 23.048 -11.551 -5.324
688 3HG2 THR 86 3HG2 THR 86 22.115 -13.001 -4.949
689 H HIS 87 H HIS 87 22.514 -8.097 -3.637
690 HA HIS 87 HA HIS 87 21.610 -7.028 -1.116
691 1HB HIS 87 2HB HIS 87 21.433 -5.675 -3.816
692 2HB HIS 87 1HB HIS 87 21.415 -4.917 -2.233
693 HD1 HIS 87 HD1 HIS 87 23.470 -4.379 -4.648
694 HD2 HIS 87 HD2 HIS 87 24.193 -6.561 -1.179
695 HE1 HIS 87 HE1 HIS 87 25.961 -4.301 -4.299
696 HE2 HIS 87 HE2 HIS 87 26.388 -5.832 -2.344
697 H GLU 88 H GLU 88 19.512 -6.305 -0.608
698 HA GLU 88 HA GLU 88 17.400 -7.282 -2.381
699 1HB GLU 88 2HB GLU 88 16.171 -7.989 -0.217
700 2HB GLU 88 1HB GLU 88 17.394 -9.057 -0.886
701 1HG GLU 88 2HG GLU 88 19.004 -8.254 0.761
702 2HG GLU 88 1HG GLU 88 17.790 -7.152 1.414
703 H HIS 89 H HIS 89 15.560 -6.070 -2.418
704 HA HIS 89 HA HIS 89 15.993 -3.340 -1.505
705 1HB HIS 89 2HB HIS 89 13.737 -4.382 -3.225
706 2HB HIS 89 1HB HIS 89 14.289 -2.720 -3.079
707 HD1 HIS 89 HD1 HIS 89 15.830 -1.941 -4.886
708 HD2 HIS 89 HD2 HIS 89 15.764 -6.092 -4.555
709 HE1 HIS 89 HE1 HIS 89 17.194 -2.805 -6.813
710 HE2 HIS 89 HE2 HIS 89 17.332 -5.293 -6.453
711 H TYR 90 H TYR 90 14.441 -2.193 -0.174
712 HA TYR 90 HA TYR 90 12.577 -4.016 1.164
713 1HB TYR 90 2HB TYR 90 13.187 -3.174 3.351
714 2HB TYR 90 1HB TYR 90 14.598 -3.831 2.541
715 HD1 TYR 90 HD1 TYR 90 13.052 -0.858 3.943
716 HD2 TYR 90 HD2 TYR 90 16.372 -2.322 1.722
717 HE1 TYR 90 HE1 TYR 90 14.271 1.226 4.403
718 HE2 TYR 90 HE2 TYR 90 17.598 -0.242 2.173
719 HH TYR 90 HH TYR 90 17.178 2.061 2.796
720 H GLY 91 H GLY 91 10.720 -3.230 1.929
721 1HA GLY 91 2HA GLY 91 10.256 -0.323 1.775
722 2HA GLY 91 1HA GLY 91 9.048 -1.472 1.197
723 H ILE 92 H ILE 92 8.072 0.119 3.054
724 HA ILE 92 HA ILE 92 8.516 -1.147 5.666
725 HB ILE 92 HB ILE 92 7.033 1.417 5.066
726 1HG1 ILE 92 2HG1 ILE 92 9.850 0.980 6.088
727 2HG1 ILE 92 1HG1 ILE 92 9.428 1.548 4.477
728 1HG2 ILE 92 1HG2 ILE 92 6.342 0.331 7.147
729 2HG2 ILE 92 2HG2 ILE 92 7.237 1.815 7.473
730 3HG2 ILE 92 3HG2 ILE 92 8.026 0.250 7.667
731 1HD1 ILE 92 1HD1 ILE 92 10.129 3.381 5.874
732 2HD1 ILE 92 2HD1 ILE 92 8.895 2.976 7.066
733 3HD1 ILE 92 3HD1 ILE 92 8.420 3.548 5.466
734 HA PRO 93 HA PRO 93 4.629 -3.258 4.893
735 1HB PRO 93 2HB PRO 93 5.199 -4.645 7.393
736 2HB PRO 93 1HB PRO 93 5.118 -5.295 5.755
737 1HG PRO 93 2HG PRO 93 7.442 -5.105 7.118
738 2HG PRO 93 1HG PRO 93 7.354 -4.936 5.356
739 1HD PRO 93 2HD PRO 93 7.526 -2.796 7.457
740 2HD PRO 93 1HD PRO 93 8.392 -2.923 5.911
741 H HIS 94 H HIS 94 2.610 -2.960 5.596
742 HA HIS 94 HA HIS 94 2.177 -1.870 8.294
743 1HB HIS 94 2HB HIS 94 0.970 -0.855 5.710
744 2HB HIS 94 1HB HIS 94 0.371 -0.418 7.308
745 HD1 HIS 94 HD1 HIS 94 3.540 -0.154 5.248
746 HD2 HIS 94 HD2 HIS 94 1.626 1.718 8.421
747 HE1 HIS 94 HE1 HIS 94 4.946 1.844 5.786
748 HE2 HIS 94 HE2 HIS 94 3.629 3.098 7.543
749 H GLY 95 H GLY 95 -0.577 -1.693 8.168
750 1HA GLY 95 2HA GLY 95 -1.849 -3.868 6.909
751 2HA GLY 95 1HA GLY 95 -1.445 -4.307 8.566
752 H PHE 96 H PHE 96 -4.082 -4.126 7.615
753 HA PHE 96 HA PHE 96 -5.106 -1.966 9.283
754 1HB PHE 96 2HB PHE 96 -5.838 -2.318 6.369
755 2HB PHE 96 1HB PHE 96 -6.760 -1.336 7.499
756 HD1 PHE 96 HD1 PHE 96 -3.879 -1.510 5.350
757 HD2 PHE 96 HD2 PHE 96 -5.707 0.681 8.506
758 HE1 PHE 96 HE1 PHE 96 -2.421 0.407 4.862
759 HE2 PHE 96 HE2 PHE 96 -4.251 2.601 8.019
760 HZ PHE 96 HZ PHE 96 -2.604 2.466 6.195
761 H SER 97 H SER 97 -7.643 -2.113 9.089
762 HA SER 97 HA SER 97 -8.646 -4.800 8.695
763 1HB SER 97 2HB SER 97 -9.740 -4.617 11.044
764 2HB SER 97 1HB SER 97 -8.043 -5.094 10.947
765 HG SER 97 HG SER 97 -7.494 -3.326 11.945
766 H SER 98 H SER 98 -8.916 -1.788 7.937
767 HA SER 98 HA SER 98 -11.798 -1.810 7.684
768 1HB SER 98 2HB SER 98 -10.361 0.561 8.912
769 2HB SER 98 1HB SER 98 -12.092 0.419 8.607
770 HG SER 98 HG SER 98 -11.857 -0.084 10.717
771 H ARG 99 H ARG 99 -12.318 -1.156 5.687
772 HA ARG 99 HA ARG 99 -10.388 -0.424 3.789
773 1HB ARG 99 2HB ARG 99 -13.386 -0.047 3.732
774 2HB ARG 99 1HB ARG 99 -12.330 0.186 2.344
775 1HG ARG 99 2HG ARG 99 -11.659 -2.150 2.447
776 2HG ARG 99 1HG ARG 99 -12.691 -2.390 3.859
777 1HD ARG 99 2HD ARG 99 -14.644 -1.756 2.512
778 2HD ARG 99 1HD ARG 99 -13.599 -1.580 1.103
779 HE ARG 99 HE ARG 99 -13.064 -4.088 1.751
780 1HH1 ARG 99 1HH1 ARG 99 -16.150 -2.420 1.630
781 2HH1 ARG 99 2HH1 ARG 99 -17.057 -3.864 1.298
782 1HH2 ARG 99 1HH2 ARG 99 -14.244 -5.964 1.252
783 2HH2 ARG 99 2HH2 ARG 99 -15.971 -5.883 1.057
784 H ILE 100 H ILE 100 -12.689 1.561 5.616
785 HA ILE 100 HA ILE 100 -12.050 4.010 4.428
786 HB ILE 100 HB ILE 100 -14.024 3.735 5.842
787 1HG1 ILE 100 2HG1 ILE 100 -12.123 5.843 6.897
788 2HG1 ILE 100 1HG1 ILE 100 -13.054 5.973 5.408
789 1HG2 ILE 100 1HG2 ILE 100 -13.833 3.736 8.284
790 2HG2 ILE 100 2HG2 ILE 100 -12.078 3.640 8.144
791 3HG2 ILE 100 3HG2 ILE 100 -13.082 2.306 7.575
792 1HD1 ILE 100 1HD1 ILE 100 -15.115 5.885 6.693
793 2HD1 ILE 100 2HD1 ILE 100 -14.082 7.222 7.198
794 3HD1 ILE 100 3HD1 ILE 100 -14.179 5.762 8.183
795 H ALA 101 H ALA 101 -10.388 2.189 6.928
796 HA ALA 101 HA ALA 101 -8.753 4.296 7.861
797 1HB ALA 101 1HB ALA 101 -7.257 2.538 8.713
798 2HB ALA 101 2HB ALA 101 -8.180 1.332 7.815
799 3HB ALA 101 3HB ALA 101 -8.946 2.228 9.126
800 H LEU 102 H LEU 102 -8.340 1.865 5.321
801 HA LEU 102 HA LEU 102 -5.819 2.803 4.429
802 1HB LEU 102 2HB LEU 102 -6.698 0.596 3.828
803 2HB LEU 102 1HB LEU 102 -7.992 1.349 2.917
804 HG LEU 102 HG LEU 102 -6.376 2.255 1.320
805 1HD1 LEU 102 1HD1 LEU 102 -4.482 2.536 2.830
806 2HD1 LEU 102 2HD1 LEU 102 -4.029 1.590 1.412
807 3HD1 LEU 102 3HD1 LEU 102 -4.311 0.786 2.958
808 1HD2 LEU 102 1HD2 LEU 102 -5.661 0.124 0.320
809 2HD2 LEU 102 2HD2 LEU 102 -7.335 0.079 0.870
810 3HD2 LEU 102 3HD2 LEU 102 -6.077 -0.702 1.822
811 H GLU 103 H GLU 103 -9.136 3.666 3.648
812 HA GLU 103 HA GLU 103 -8.698 5.384 1.489
813 1HB GLU 103 2HB GLU 103 -10.900 4.545 2.808
814 2HB GLU 103 1HB GLU 103 -10.754 6.156 3.490
815 1HG GLU 103 2HG GLU 103 -10.849 5.591 0.540
816 2HG GLU 103 1HG GLU 103 -12.261 5.984 1.518
817 H ARG 104 H ARG 104 -9.031 6.227 4.950
818 HA ARG 104 HA ARG 104 -8.270 8.925 4.636
819 1HB ARG 104 2HB ARG 104 -7.876 7.263 7.124
820 2HB ARG 104 1HB ARG 104 -7.996 9.012 7.025
821 1HG ARG 104 2HG ARG 104 -10.334 8.768 6.273
822 2HG ARG 104 1HG ARG 104 -10.191 7.023 6.510
823 1HD ARG 104 2HD ARG 104 -10.040 9.201 8.577
824 2HD ARG 104 1HD ARG 104 -11.189 7.868 8.482
825 HE ARG 104 HE ARG 104 -8.518 6.907 8.730
826 1HH1 ARG 104 1HH1 ARG 104 -11.157 8.290 10.583
827 2HH1 ARG 104 2HH1 ARG 104 -10.602 7.616 12.094
828 1HH2 ARG 104 1HH2 ARG 104 -7.806 6.032 10.708
829 2HH2 ARG 104 2HH2 ARG 104 -8.712 6.335 12.159
830 H TYR 105 H TYR 105 -6.425 5.987 5.103
831 HA TYR 105 HA TYR 105 -3.966 7.095 5.844
832 1HB TYR 105 2HB TYR 105 -4.519 4.663 5.889
833 2HB TYR 105 1HB TYR 105 -4.436 4.643 4.131
834 HD1 TYR 105 HD1 TYR 105 -2.486 4.999 7.224
835 HD2 TYR 105 HD2 TYR 105 -2.324 4.613 2.991
836 HE1 TYR 105 HE1 TYR 105 -0.065 4.575 7.360
837 HE2 TYR 105 HE2 TYR 105 0.095 4.181 3.115
838 HH TYR 105 HH TYR 105 1.960 4.539 4.585
839 H LEU 106 H LEU 106 -5.258 6.289 2.637
840 HA LEU 106 HA LEU 106 -3.119 7.266 1.121
841 1HB LEU 106 2HB LEU 106 -6.057 7.127 0.446
842 2HB LEU 106 1HB LEU 106 -4.788 7.468 -0.716
843 HG LEU 106 HG LEU 106 -5.074 4.907 0.853
844 1HD1 LEU 106 1HD1 LEU 106 -6.810 5.167 -0.830
845 2HD1 LEU 106 2HD1 LEU 106 -5.657 3.919 -1.298
846 3HD1 LEU 106 3HD1 LEU 106 -5.587 5.512 -2.052
847 1HD2 LEU 106 1HD2 LEU 106 -3.138 5.690 -1.324
848 2HD2 LEU 106 2HD2 LEU 106 -3.290 4.085 -0.606
849 3HD2 LEU 106 3HD2 LEU 106 -2.746 5.444 0.379
850 H ASN 107 H ASN 107 -5.942 8.884 2.451
851 HA ASN 107 HA ASN 107 -5.502 11.345 1.083
852 1HB ASN 107 2HB ASN 107 -7.277 10.447 3.318
853 2HB ASN 107 1HB ASN 107 -7.143 12.159 2.936
854 1HD2 ASN 107 1HD2 ASN 107 -8.219 9.048 1.846
855 2HD2 ASN 107 2HD2 ASN 107 -9.200 9.616 0.539
856 H GLY 108 H GLY 108 -4.609 10.097 4.240
857 1HA GLY 108 2HA GLY 108 -3.605 12.597 5.196
858 2HA GLY 108 1HA GLY 108 -3.311 11.016 5.907
859 H LEU 109 H LEU 109 -2.085 9.696 3.828
860 HA LEU 109 HA LEU 109 0.545 10.841 4.100
861 1HB LEU 109 2HB LEU 109 -0.105 8.376 4.325
862 2HB LEU 109 1HB LEU 109 -0.148 8.345 2.573
863 HG LEU 109 HG LEU 109 2.217 8.925 2.471
864 1HD1 LEU 109 1HD1 LEU 109 2.352 10.330 4.455
865 2HD1 LEU 109 2HD1 LEU 109 3.558 9.044 4.525
866 3HD1 LEU 109 3HD1 LEU 109 2.083 8.926 5.487
867 1HD2 LEU 109 1HD2 LEU 109 3.131 6.877 3.456
868 2HD2 LEU 109 2HD2 LEU 109 1.608 6.567 2.622
869 3HD2 LEU 109 3HD2 LEU 109 1.647 6.660 4.384
870 H PHE 110 H PHE 110 -1.481 9.864 1.314
871 HA PHE 110 HA PHE 110 0.273 11.498 -0.421
872 1HB PHE 110 2HB PHE 110 -1.434 9.154 -1.285
873 2HB PHE 110 1HB PHE 110 -0.241 10.010 -2.247
874 HD1 PHE 110 HD1 PHE 110 -0.876 7.204 -0.215
875 HD2 PHE 110 HD2 PHE 110 2.222 9.872 -1.404
876 HE1 PHE 110 HE1 PHE 110 0.806 5.516 0.399
877 HE2 PHE 110 HE2 PHE 110 3.908 8.184 -0.786
878 HZ PHE 110 HZ PHE 110 3.198 6.000 0.108
879 H GLY 111 H GLY 111 -2.150 12.352 1.079
880 1HA GLY 111 2HA GLY 111 -4.471 12.129 -0.508
881 2HA GLY 111 1HA GLY 111 -4.253 13.236 0.832
882 H ASP 112 H ASP 112 -1.946 14.561 -0.516
883 HA ASP 112 HA ASP 112 -3.579 16.315 -2.147
884 1HB ASP 112 2HB ASP 112 -2.208 17.270 -0.326
885 2HB ASP 112 1HB ASP 112 -0.767 16.770 -1.202
Start of MODEL 12
1 1H MET 1 1HT MET 1 -10.460 -8.026 12.083
2 2H MET 1 2HT MET 1 -11.393 -9.421 11.841
3 3H MET 1 3HT MET 1 -11.542 -8.103 10.786
4 HA MET 1 HA MET 1 -9.061 -9.672 11.144
5 1HB MET 1 2HB MET 1 -11.205 -9.852 9.021
6 2HB MET 1 1HB MET 1 -9.595 -10.530 8.828
7 1HG MET 1 2HG MET 1 -9.984 -11.969 10.773
8 2HG MET 1 1HG MET 1 -11.607 -11.299 10.929
9 1HE MET 1 1HE MET 1 -9.191 -13.466 8.706
10 2HE MET 1 2HE MET 1 -9.662 -12.166 7.611
11 3HE MET 1 3HE MET 1 -10.212 -13.813 7.310
12 H TYR 2 H TYR 2 -7.992 -9.427 8.748
13 HA TYR 2 HA TYR 2 -7.759 -6.539 8.331
14 1HB TYR 2 2HB TYR 2 -5.857 -8.797 7.673
15 2HB TYR 2 1HB TYR 2 -5.598 -7.128 7.179
16 HD1 TYR 2 HD1 TYR 2 -5.610 -9.463 9.995
17 HD2 TYR 2 HD2 TYR 2 -4.981 -5.432 8.801
18 HE1 TYR 2 HE1 TYR 2 -4.506 -9.008 12.141
19 HE2 TYR 2 HE2 TYR 2 -3.875 -4.960 10.947
20 HH TYR 2 HH TYR 2 -3.033 -7.501 13.162
21 H LEU 3 H LEU 3 -6.808 -6.279 5.884
22 HA LEU 3 HA LEU 3 -9.005 -7.235 4.188
23 1HB LEU 3 2HB LEU 3 -6.995 -5.062 3.616
24 2HB LEU 3 1HB LEU 3 -8.464 -5.398 2.724
25 HG LEU 3 HG LEU 3 -8.297 -4.322 5.540
26 1HD1 LEU 3 1HD1 LEU 3 -9.151 -3.048 2.945
27 2HD1 LEU 3 2HD1 LEU 3 -7.687 -2.686 3.859
28 3HD1 LEU 3 3HD1 LEU 3 -9.269 -2.304 4.539
29 1HD2 LEU 3 1HD2 LEU 3 -10.712 -4.883 3.822
30 2HD2 LEU 3 2HD2 LEU 3 -10.721 -4.103 5.405
31 3HD2 LEU 3 3HD2 LEU 3 -10.229 -5.790 5.255
32 H ARG 4 H ARG 4 -8.646 -8.292 2.264
33 HA ARG 4 HA ARG 4 -6.169 -9.695 1.955
34 1HB ARG 4 2HB ARG 4 -8.704 -9.525 0.343
35 2HB ARG 4 1HB ARG 4 -7.300 -10.387 -0.269
36 1HG ARG 4 2HG ARG 4 -8.585 -10.981 2.388
37 2HG ARG 4 1HG ARG 4 -9.004 -11.810 0.887
38 1HD ARG 4 2HD ARG 4 -6.728 -12.605 0.653
39 2HD ARG 4 1HD ARG 4 -6.235 -11.694 2.076
40 HE ARG 4 HE ARG 4 -8.044 -13.235 3.185
41 1HH1 ARG 4 1HH1 ARG 4 -5.793 -14.150 0.661
42 2HH1 ARG 4 2HH1 ARG 4 -5.567 -15.766 1.268
43 1HH2 ARG 4 1HH2 ARG 4 -7.743 -15.352 3.988
44 2HH2 ARG 4 2HH2 ARG 4 -6.650 -16.437 3.183
45 HA PRO 5 HA PRO 5 -3.650 -7.040 -0.411
46 1HB PRO 5 2HB PRO 5 -2.940 -8.687 -2.545
47 2HB PRO 5 1HB PRO 5 -2.141 -8.640 -0.969
48 1HG PRO 5 2HG PRO 5 -4.222 -10.527 -1.987
49 2HG PRO 5 1HG PRO 5 -2.805 -10.855 -0.971
50 1HD PRO 5 2HD PRO 5 -5.249 -10.732 0.091
51 2HD PRO 5 1HD PRO 5 -3.848 -10.057 0.951
52 H ASP 6 H ASP 6 -5.848 -8.919 -2.493
53 HA ASP 6 HA ASP 6 -5.880 -7.159 -4.676
54 1HB ASP 6 2HB ASP 6 -7.961 -9.112 -3.690
55 2HB ASP 6 1HB ASP 6 -8.114 -8.222 -5.201
56 H GLU 7 H GLU 7 -7.584 -7.095 -1.638
57 HA GLU 7 HA GLU 7 -9.506 -5.145 -2.541
58 1HB GLU 7 2HB GLU 7 -9.893 -6.941 -0.753
59 2HB GLU 7 1HB GLU 7 -8.961 -5.909 0.320
60 1HG GLU 7 2HG GLU 7 -10.555 -4.179 0.206
61 2HG GLU 7 1HG GLU 7 -11.391 -4.942 -1.149
62 H VAL 8 H VAL 8 -6.568 -5.184 -0.577
63 HA VAL 8 HA VAL 8 -6.562 -2.488 0.204
64 HB VAL 8 HB VAL 8 -4.167 -4.221 -0.456
65 1HG1 VAL 8 1HG1 VAL 8 -4.353 -1.742 1.253
66 2HG1 VAL 8 2HG1 VAL 8 -3.598 -1.845 -0.337
67 3HG1 VAL 8 3HG1 VAL 8 -2.915 -2.738 1.021
68 1HG2 VAL 8 1HG2 VAL 8 -4.095 -4.713 1.935
69 2HG2 VAL 8 2HG2 VAL 8 -5.611 -5.256 1.213
70 3HG2 VAL 8 3HG2 VAL 8 -5.571 -3.778 2.175
71 H ALA 9 H ALA 9 -5.126 -4.080 -2.627
72 HA ALA 9 HA ALA 9 -4.177 -1.786 -3.925
73 1HB ALA 9 1HB ALA 9 -3.519 -4.041 -4.572
74 2HB ALA 9 2HB ALA 9 -4.166 -3.156 -5.954
75 3HB ALA 9 3HB ALA 9 -5.157 -4.366 -5.140
76 H ARG 10 H ARG 10 -7.361 -3.242 -3.840
77 HA ARG 10 HA ARG 10 -8.552 -1.917 -6.001
78 1HB ARG 10 2HB ARG 10 -9.488 -3.856 -4.700
79 2HB ARG 10 1HB ARG 10 -9.902 -2.723 -3.424
80 1HG ARG 10 2HG ARG 10 -11.391 -1.536 -4.933
81 2HG ARG 10 1HG ARG 10 -10.950 -2.631 -6.245
82 1HD ARG 10 2HD ARG 10 -11.773 -4.513 -4.786
83 2HD ARG 10 1HD ARG 10 -12.428 -3.283 -3.707
84 HE ARG 10 HE ARG 10 -13.465 -2.610 -6.116
85 1HH1 ARG 10 1HH1 ARG 10 -13.396 -5.592 -4.280
86 2HH1 ARG 10 2HH1 ARG 10 -14.888 -6.179 -4.933
87 1HH2 ARG 10 1HH2 ARG 10 -15.426 -3.378 -6.979
88 2HH2 ARG 10 2HH2 ARG 10 -16.035 -4.935 -6.495
89 H VAL 11 H VAL 11 -8.214 -0.985 -2.602
90 HA VAL 11 HA VAL 11 -9.739 1.404 -2.803
91 HB VAL 11 HB VAL 11 -7.559 0.738 -0.811
92 1HG1 VAL 11 1HG1 VAL 11 -8.109 3.114 -0.840
93 2HG1 VAL 11 2HG1 VAL 11 -8.695 2.355 0.640
94 3HG1 VAL 11 3HG1 VAL 11 -9.821 2.731 -0.663
95 1HG2 VAL 11 1HG2 VAL 11 -9.381 -0.016 0.640
96 2HG2 VAL 11 2HG2 VAL 11 -9.300 -0.969 -0.843
97 3HG2 VAL 11 3HG2 VAL 11 -10.537 0.276 -0.660
98 H LEU 12 H LEU 12 -6.301 0.666 -3.105
99 HA LEU 12 HA LEU 12 -5.319 3.263 -3.456
100 1HB LEU 12 2HB LEU 12 -4.368 0.670 -4.680
101 2HB LEU 12 1HB LEU 12 -3.454 2.168 -4.682
102 HG LEU 12 HG LEU 12 -4.287 0.684 -2.188
103 1HD1 LEU 12 1HD1 LEU 12 -2.709 -0.647 -3.444
104 2HD1 LEU 12 2HD1 LEU 12 -1.911 0.058 -2.038
105 3HD1 LEU 12 3HD1 LEU 12 -1.647 0.750 -3.637
106 1HD2 LEU 12 1HD2 LEU 12 -3.989 3.062 -1.817
107 2HD2 LEU 12 2HD2 LEU 12 -2.424 3.014 -2.630
108 3HD2 LEU 12 3HD2 LEU 12 -2.649 2.165 -1.102
109 H GLU 13 H GLU 13 -6.571 0.927 -5.792
110 HA GLU 13 HA GLU 13 -6.200 2.356 -8.150
111 1HB GLU 13 2HB GLU 13 -6.944 -0.019 -7.953
112 2HB GLU 13 1HB GLU 13 -8.528 0.553 -7.455
113 1HG GLU 13 2HG GLU 13 -8.779 1.680 -9.624
114 2HG GLU 13 1HG GLU 13 -7.210 1.044 -10.114
115 H LYS 14 H LYS 14 -8.944 2.357 -5.914
116 HA LYS 14 HA LYS 14 -10.580 4.208 -7.235
117 1HB LYS 14 2HB LYS 14 -11.257 2.802 -5.302
118 2HB LYS 14 1HB LYS 14 -10.294 3.817 -4.255
119 1HG LYS 14 2HG LYS 14 -11.666 5.724 -4.729
120 2HG LYS 14 1HG LYS 14 -12.588 4.816 -5.924
121 1HD LYS 14 2HD LYS 14 -13.482 3.382 -4.207
122 2HD LYS 14 1HD LYS 14 -12.459 4.147 -2.988
123 1HE LYS 14 2HE LYS 14 -14.842 4.931 -3.016
124 2HE LYS 14 1HE LYS 14 -13.633 6.206 -3.169
125 1HZ LYS 14 1HZ LYS 14 -15.120 4.983 -5.443
126 2HZ LYS 14 2HZ LYS 14 -14.021 6.278 -5.538
127 3HZ LYS 14 3HZ LYS 14 -15.491 6.469 -4.724
128 H ALA 15 H ALA 15 -8.167 4.640 -4.739
129 HA ALA 15 HA ALA 15 -8.377 7.373 -4.301
130 1HB ALA 15 1HB ALA 15 -7.041 5.856 -2.923
131 2HB ALA 15 2HB ALA 15 -6.117 7.276 -3.418
132 3HB ALA 15 3HB ALA 15 -5.856 5.729 -4.223
133 H GLY 16 H GLY 16 -7.120 5.775 -7.083
134 1HA GLY 16 2HA GLY 16 -6.983 7.105 -9.112
135 2HA GLY 16 1HA GLY 16 -6.300 8.405 -8.144
136 H PHE 17 H PHE 17 -5.358 5.084 -7.747
137 HA PHE 17 HA PHE 17 -2.641 5.795 -8.529
138 1HB PHE 17 2HB PHE 17 -3.860 3.565 -6.945
139 2HB PHE 17 1HB PHE 17 -2.252 3.393 -7.624
140 HD1 PHE 17 HD1 PHE 17 -4.220 5.834 -5.595
141 HD2 PHE 17 HD2 PHE 17 -0.463 3.964 -6.307
142 HE1 PHE 17 HE1 PHE 17 -3.275 6.995 -3.643
143 HE2 PHE 17 HE2 PHE 17 0.490 5.124 -4.356
144 HZ PHE 17 HZ PHE 17 -0.918 6.644 -3.028
145 H THR 18 H THR 18 -1.375 4.235 -9.768
146 HA THR 18 HA THR 18 -2.952 2.540 -11.575
147 HB THR 18 HB THR 18 -1.015 3.222 -13.264
148 HG1 THR 18 HG1 THR 18 -1.352 5.588 -11.692
149 1HG2 THR 18 1HG2 THR 18 -2.520 4.917 -14.222
150 2HG2 THR 18 2HG2 THR 18 -3.450 4.924 -12.722
151 3HG2 THR 18 3HG2 THR 18 -3.390 3.470 -13.718
152 H VAL 19 H VAL 19 -1.731 0.707 -12.432
153 HA VAL 19 HA VAL 19 0.339 -0.094 -10.535
154 HB VAL 19 HB VAL 19 -1.577 -1.650 -11.081
155 1HG1 VAL 19 1HG1 VAL 19 -0.093 -2.059 -13.669
156 2HG1 VAL 19 2HG1 VAL 19 -1.633 -1.209 -13.509
157 3HG1 VAL 19 3HG1 VAL 19 -1.530 -2.926 -13.122
158 1HG2 VAL 19 1HG2 VAL 19 -0.158 -3.658 -11.166
159 2HG2 VAL 19 2HG2 VAL 19 0.438 -2.463 -10.014
160 3HG2 VAL 19 3HG2 VAL 19 1.224 -2.644 -11.582
161 H ASP 20 H ASP 20 2.435 -0.463 -11.071
162 HA ASP 20 HA ASP 20 3.231 0.227 -13.820
163 1HB ASP 20 2HB ASP 20 4.258 1.473 -11.874
164 2HB ASP 20 1HB ASP 20 5.011 -0.041 -11.383
165 H VAL 21 H VAL 21 4.575 -1.876 -11.298
166 HA VAL 21 HA VAL 21 4.951 -3.941 -13.346
167 HB VAL 21 HB VAL 21 7.026 -3.245 -12.297
168 1HG1 VAL 21 1HG1 VAL 21 6.211 -2.382 -10.192
169 2HG1 VAL 21 2HG1 VAL 21 7.442 -3.607 -9.889
170 3HG1 VAL 21 3HG1 VAL 21 5.736 -3.999 -9.669
171 1HG2 VAL 21 1HG2 VAL 21 7.836 -5.412 -11.486
172 2HG2 VAL 21 2HG2 VAL 21 6.836 -5.582 -12.929
173 3HG2 VAL 21 3HG2 VAL 21 6.170 -5.975 -11.343
174 H VAL 22 H VAL 22 3.811 -5.775 -13.235
175 HA VAL 22 HA VAL 22 2.368 -6.279 -10.734
176 HB VAL 22 HB VAL 22 0.775 -5.764 -12.432
177 1HG1 VAL 22 1HG1 VAL 22 2.059 -7.882 -14.144
178 2HG1 VAL 22 2HG1 VAL 22 2.126 -6.140 -14.413
179 3HG1 VAL 22 3HG1 VAL 22 0.589 -6.994 -14.535
180 1HG2 VAL 22 1HG2 VAL 22 -0.547 -7.826 -12.533
181 2HG2 VAL 22 2HG2 VAL 22 0.138 -7.555 -10.929
182 3HG2 VAL 22 3HG2 VAL 22 0.864 -8.746 -12.009
183 H THR 23 H THR 23 3.853 -7.561 -9.737
184 HA THR 23 HA THR 23 4.708 -10.011 -11.072
185 HB THR 23 HB THR 23 6.059 -10.439 -9.065
186 HG1 THR 23 HG1 THR 23 4.602 -8.248 -8.090
187 1HG2 THR 23 1HG2 THR 23 7.594 -8.513 -9.234
188 2HG2 THR 23 2HG2 THR 23 6.356 -7.633 -10.135
189 3HG2 THR 23 3HG2 THR 23 7.069 -9.097 -10.815
190 H ASN 24 H ASN 24 4.264 -12.096 -10.126
191 HA ASN 24 HA ASN 24 1.513 -12.356 -9.528
192 1HB ASN 24 2HB ASN 24 2.953 -14.027 -10.750
193 2HB ASN 24 1HB ASN 24 3.641 -14.475 -9.194
194 1HD2 ASN 24 1HD2 ASN 24 2.466 -15.746 -7.806
195 2HD2 ASN 24 2HD2 ASN 24 0.953 -16.471 -8.233
196 H LYS 25 H LYS 25 4.013 -11.493 -7.499
197 HA LYS 25 HA LYS 25 2.618 -12.603 -5.150
198 1HB LYS 25 2HB LYS 25 5.561 -12.015 -5.489
199 2HB LYS 25 1HB LYS 25 4.803 -12.528 -3.990
200 1HG LYS 25 2HG LYS 25 4.193 -14.648 -4.999
201 2HG LYS 25 1HG LYS 25 4.898 -14.132 -6.535
202 1HD LYS 25 2HD LYS 25 7.084 -13.974 -5.503
203 2HD LYS 25 1HD LYS 25 6.395 -14.396 -3.933
204 1HE LYS 25 2HE LYS 25 6.378 -16.158 -6.376
205 2HE LYS 25 1HE LYS 25 7.501 -16.299 -5.028
206 1HZ LYS 25 1HZ LYS 25 4.575 -16.776 -5.027
207 2HZ LYS 25 2HZ LYS 25 5.453 -16.580 -3.592
208 3HZ LYS 25 3HZ LYS 25 5.811 -17.867 -4.636
209 H THR 26 H THR 26 3.080 -9.843 -6.843
210 HA THR 26 HA THR 26 2.655 -8.098 -4.632
211 HB THR 26 HB THR 26 5.402 -8.255 -5.866
212 HG1 THR 26 HG1 THR 26 4.478 -9.209 -3.672
213 1HG2 THR 26 1HG2 THR 26 4.716 -5.930 -5.969
214 2HG2 THR 26 2HG2 THR 26 5.975 -6.167 -4.757
215 3HG2 THR 26 3HG2 THR 26 4.295 -5.965 -4.257
216 H TYR 27 H TYR 27 1.598 -6.338 -5.326
217 HA TYR 27 HA TYR 27 1.666 -5.664 -8.176
218 1HB TYR 27 2HB TYR 27 -0.173 -4.881 -5.926
219 2HB TYR 27 1HB TYR 27 -0.189 -4.041 -7.469
220 HD1 TYR 27 HD1 TYR 27 -1.163 -5.034 -9.410
221 HD2 TYR 27 HD2 TYR 27 -0.876 -7.247 -5.788
222 HE1 TYR 27 HE1 TYR 27 -2.714 -6.713 -10.318
223 HE2 TYR 27 HE2 TYR 27 -2.423 -8.928 -6.689
224 HH TYR 27 HH TYR 27 -3.306 -9.045 -9.977
225 H GLY 28 H GLY 28 3.255 -4.299 -8.718
226 1HA GLY 28 2HA GLY 28 4.272 -2.317 -6.884
227 2HA GLY 28 1HA GLY 28 4.744 -2.532 -8.567
228 H TYR 29 H TYR 29 2.451 -1.085 -6.399
229 HA TYR 29 HA TYR 29 1.007 0.243 -8.546
230 1HB TYR 29 2HB TYR 29 0.532 -0.493 -5.776
231 2HB TYR 29 1HB TYR 29 0.065 1.167 -6.091
232 HD1 TYR 29 HD1 TYR 29 -0.609 -2.344 -6.820
233 HD2 TYR 29 HD2 TYR 29 -1.779 1.662 -7.634
234 HE1 TYR 29 HE1 TYR 29 -2.701 -3.165 -7.812
235 HE2 TYR 29 HE2 TYR 29 -3.882 0.855 -8.625
236 HH TYR 29 HH TYR 29 -5.035 -2.254 -8.219
237 H ARG 30 H ARG 30 0.969 2.491 -8.848
238 HA ARG 30 HA ARG 30 2.483 4.152 -7.028
239 1HB ARG 30 2HB ARG 30 3.933 5.114 -8.742
240 2HB ARG 30 1HB ARG 30 4.240 3.400 -8.528
241 1HG ARG 30 2HG ARG 30 3.197 2.858 -10.581
242 2HG ARG 30 1HG ARG 30 2.505 4.477 -10.736
243 1HD ARG 30 2HD ARG 30 4.674 5.443 -11.060
244 2HD ARG 30 1HD ARG 30 5.466 3.919 -10.678
245 HE ARG 30 HE ARG 30 4.968 3.128 -12.810
246 1HH1 ARG 30 1HH1 ARG 30 3.506 6.275 -12.311
247 2HH1 ARG 30 2HH1 ARG 30 3.277 6.569 -14.004
248 1HH2 ARG 30 1HH2 ARG 30 4.695 3.532 -15.018
249 2HH2 ARG 30 2HH2 ARG 30 3.948 5.014 -15.545
250 H ARG 31 H ARG 31 2.072 6.316 -7.167
251 HA ARG 31 HA ARG 31 0.327 7.263 -9.329
252 1HB ARG 31 2HB ARG 31 -1.048 6.887 -7.237
253 2HB ARG 31 1HB ARG 31 -0.063 8.114 -6.449
254 1HG ARG 31 2HG ARG 31 -0.778 9.742 -8.165
255 2HG ARG 31 1HG ARG 31 -1.833 8.509 -8.855
256 1HD ARG 31 2HD ARG 31 -3.239 9.785 -7.490
257 2HD ARG 31 1HD ARG 31 -2.878 8.351 -6.531
258 HE ARG 31 HE ARG 31 -1.005 10.302 -5.856
259 1HH1 ARG 31 1HH1 ARG 31 -4.463 9.813 -5.658
260 2HH1 ARG 31 2HH1 ARG 31 -4.655 10.806 -4.247
261 1HH2 ARG 31 1HH2 ARG 31 -1.260 11.639 -3.982
262 2HH2 ARG 31 2HH2 ARG 31 -2.848 11.833 -3.297
263 H GLY 32 H GLY 32 2.247 8.073 -10.224
264 1HA GLY 32 2HA GLY 32 3.785 9.737 -10.626
265 2HA GLY 32 1HA GLY 32 2.999 10.681 -9.366
266 H GLU 33 H GLU 33 3.920 10.825 -7.400
267 HA GLU 33 HA GLU 33 6.613 9.784 -7.117
268 1HB GLU 33 2HB GLU 33 6.291 12.098 -6.589
269 2HB GLU 33 1HB GLU 33 4.956 11.726 -5.509
270 1HG GLU 33 2HG GLU 33 6.498 10.633 -3.971
271 2HG GLU 33 1HG GLU 33 7.841 10.990 -5.058
272 H ASN 34 H ASN 34 3.496 8.851 -6.177
273 HA ASN 34 HA ASN 34 4.344 7.707 -3.636
274 1HB ASN 34 2HB ASN 34 1.630 7.552 -4.963
275 2HB ASN 34 1HB ASN 34 2.010 7.111 -3.303
276 1HD2 ASN 34 1HD2 ASN 34 0.070 8.993 -4.221
277 2HD2 ASN 34 2HD2 ASN 34 0.502 10.535 -3.559
278 H TYR 35 H TYR 35 5.570 5.948 -3.942
279 HA TYR 35 HA TYR 35 4.596 3.863 -5.764
280 1HB TYR 35 2HB TYR 35 7.293 4.201 -4.436
281 2HB TYR 35 1HB TYR 35 6.855 2.869 -5.497
282 HD1 TYR 35 HD1 TYR 35 7.938 6.319 -5.313
283 HD2 TYR 35 HD2 TYR 35 6.415 3.313 -7.910
284 HE1 TYR 35 HE1 TYR 35 8.675 7.633 -7.257
285 HE2 TYR 35 HE2 TYR 35 7.151 4.616 -9.859
286 HH TYR 35 HH TYR 35 9.215 7.353 -9.568
287 H VAL 36 H VAL 36 3.580 2.169 -4.938
288 HA VAL 36 HA VAL 36 4.278 1.260 -2.242
289 HB VAL 36 HB VAL 36 1.827 0.791 -1.810
290 1HG1 VAL 36 1HG1 VAL 36 2.708 3.667 -1.989
291 2HG1 VAL 36 2HG1 VAL 36 3.009 2.558 -0.651
292 3HG1 VAL 36 3HG1 VAL 36 1.362 3.066 -1.021
293 1HG2 VAL 36 1HG2 VAL 36 1.006 1.082 -4.092
294 2HG2 VAL 36 2HG2 VAL 36 1.448 2.789 -4.039
295 3HG2 VAL 36 3HG2 VAL 36 0.185 2.171 -2.974
296 H TYR 37 H TYR 37 4.703 -0.825 -2.240
297 HA TYR 37 HA TYR 37 3.822 -2.459 -4.515
298 1HB TYR 37 2HB TYR 37 5.903 -2.980 -2.378
299 2HB TYR 37 1HB TYR 37 5.503 -4.087 -3.685
300 HD1 TYR 37 HD1 TYR 37 7.121 -0.904 -2.826
301 HD2 TYR 37 HD2 TYR 37 6.271 -3.675 -5.943
302 HE1 TYR 37 HE1 TYR 37 8.795 0.189 -4.252
303 HE2 TYR 37 HE2 TYR 37 7.945 -2.582 -7.375
304 HH TYR 37 HH TYR 37 9.036 -0.357 -7.568
305 H VAL 38 H VAL 38 2.004 -3.575 -4.204
306 HA VAL 38 HA VAL 38 1.047 -4.113 -1.522
307 HB VAL 38 HB VAL 38 -0.220 -4.894 -4.148
308 1HG1 VAL 38 1HG1 VAL 38 -1.101 -6.166 -2.298
309 2HG1 VAL 38 2HG1 VAL 38 -2.298 -4.975 -2.809
310 3HG1 VAL 38 3HG1 VAL 38 -1.339 -4.693 -1.357
311 1HG2 VAL 38 1HG2 VAL 38 -0.696 -2.437 -2.469
312 2HG2 VAL 38 2HG2 VAL 38 -1.603 -2.896 -3.910
313 3HG2 VAL 38 3HG2 VAL 38 0.105 -2.479 -4.039
314 H ASN 39 H ASN 39 1.830 -5.810 -0.478
315 HA ASN 39 HA ASN 39 2.976 -8.078 -1.770
316 1HB ASN 39 2HB ASN 39 3.658 -7.312 0.497
317 2HB ASN 39 1HB ASN 39 2.088 -7.814 1.112
318 1HD2 ASN 39 1HD2 ASN 39 3.872 -9.589 -1.331
319 2HD2 ASN 39 2HD2 ASN 39 4.229 -10.960 -0.341
320 H ARG 40 H ARG 40 1.860 -9.514 -2.824
321 HA ARG 40 HA ARG 40 -0.981 -9.832 -2.403
322 1HB ARG 40 2HB ARG 40 0.015 -9.657 -4.649
323 2HB ARG 40 1HB ARG 40 0.911 -11.139 -4.364
324 1HG ARG 40 2HG ARG 40 -1.113 -12.418 -4.319
325 2HG ARG 40 1HG ARG 40 -2.088 -10.946 -4.408
326 1HD ARG 40 2HD ARG 40 -1.125 -10.428 -6.583
327 2HD ARG 40 1HD ARG 40 -0.131 -11.880 -6.496
328 HE ARG 40 HE ARG 40 -1.939 -13.107 -7.181
329 1HH1 ARG 40 1HH1 ARG 40 -3.096 -10.064 -5.913
330 2HH1 ARG 40 2HH1 ARG 40 -4.712 -10.261 -6.515
331 1HH2 ARG 40 1HH2 ARG 40 -4.069 -13.364 -8.013
332 2HH2 ARG 40 2HH2 ARG 40 -5.246 -12.115 -7.744
333 H GLU 41 H GLU 41 1.823 -11.243 -1.236
334 HA GLU 41 HA GLU 41 0.777 -13.922 -0.913
335 1HB GLU 41 2HB GLU 41 3.286 -12.691 0.247
336 2HB GLU 41 1HB GLU 41 2.905 -14.404 0.160
337 1HG GLU 41 2HG GLU 41 3.237 -12.639 -2.251
338 2HG GLU 41 1HG GLU 41 4.536 -13.596 -1.541
339 H ALA 42 H ALA 42 -0.007 -11.162 0.481
340 HA ALA 42 HA ALA 42 0.148 -11.774 3.298
341 1HB ALA 42 1HB ALA 42 0.139 -9.468 2.502
342 2HB ALA 42 2HB ALA 42 -1.233 -9.780 3.565
343 3HB ALA 42 3HB ALA 42 -1.471 -9.697 1.820
344 H ARG 43 H ARG 43 -0.963 -13.819 3.492
345 HA ARG 43 HA ARG 43 -3.699 -14.084 2.723
346 1HB ARG 43 2HB ARG 43 -2.021 -15.601 4.722
347 2HB ARG 43 1HB ARG 43 -3.700 -16.001 4.377
348 1HG ARG 43 2HG ARG 43 -3.111 -16.372 2.017
349 2HG ARG 43 1HG ARG 43 -1.425 -16.022 2.402
350 1HD ARG 43 2HD ARG 43 -3.060 -18.255 3.595
351 2HD ARG 43 1HD ARG 43 -1.883 -18.434 2.295
352 HE ARG 43 HE ARG 43 -0.371 -17.322 4.174
353 1HH1 ARG 43 1HH1 ARG 43 -2.716 -19.915 4.402
354 2HH1 ARG 43 2HH1 ARG 43 -1.883 -20.738 5.687
355 1HH2 ARG 43 1HH2 ARG 43 0.725 -18.392 5.884
356 2HH2 ARG 43 2HH2 ARG 43 0.072 -19.863 6.543
357 H MET 44 H MET 44 -2.017 -12.801 5.458
358 HA MET 44 HA MET 44 -4.584 -11.733 6.415
359 1HB MET 44 2HB MET 44 -2.024 -12.230 7.951
360 2HB MET 44 1HB MET 44 -3.364 -11.280 8.577
361 1HG MET 44 2HG MET 44 -4.823 -13.264 8.346
362 2HG MET 44 1HG MET 44 -3.413 -14.196 7.845
363 1HE MET 44 1HE MET 44 -4.133 -15.533 11.461
364 2HE MET 44 2HE MET 44 -3.986 -15.944 9.753
365 3HE MET 44 3HE MET 44 -5.349 -14.978 10.311
366 H GLY 45 H GLY 45 -4.840 -9.624 6.052
367 1HA GLY 45 2HA GLY 45 -2.819 -8.235 4.587
368 2HA GLY 45 1HA GLY 45 -4.400 -7.612 5.027
369 H ARG 46 H ARG 46 -1.615 -8.698 6.959
370 HA ARG 46 HA ARG 46 -1.562 -6.038 8.219
371 1HB ARG 46 2HB ARG 46 -1.816 -8.007 9.737
372 2HB ARG 46 1HB ARG 46 -0.265 -8.608 9.167
373 1HG ARG 46 2HG ARG 46 0.859 -6.670 10.091
374 2HG ARG 46 1HG ARG 46 -0.690 -5.985 10.592
375 1HD ARG 46 2HD ARG 46 0.506 -7.053 12.453
376 2HD ARG 46 1HD ARG 46 -1.042 -7.826 12.123
377 HE ARG 46 HE ARG 46 0.097 -9.694 11.233
378 1HH1 ARG 46 1HH1 ARG 46 2.252 -7.278 12.593
379 2HH1 ARG 46 2HH1 ARG 46 3.604 -8.374 12.708
380 1HH2 ARG 46 1HH2 ARG 46 1.863 -11.124 11.405
381 2HH2 ARG 46 2HH2 ARG 46 3.375 -10.552 12.032
382 H THR 47 H THR 47 -0.151 -7.927 5.910
383 HA THR 47 HA THR 47 2.176 -6.182 5.729
384 HB THR 47 HB THR 47 3.602 -8.069 4.999
385 HG1 THR 47 HG1 THR 47 1.631 -9.405 4.496
386 1HG2 THR 47 1HG2 THR 47 3.922 -9.188 7.174
387 2HG2 THR 47 2HG2 THR 47 2.409 -8.482 7.737
388 3HG2 THR 47 3HG2 THR 47 3.777 -7.436 7.341
389 H ALA 48 H ALA 48 1.087 -5.111 4.044
390 HA ALA 48 HA ALA 48 0.903 -6.506 1.518
391 1HB ALA 48 1HB ALA 48 -1.156 -7.235 2.609
392 2HB ALA 48 2HB ALA 48 -1.508 -6.188 1.235
393 3HB ALA 48 3HB ALA 48 -1.623 -5.555 2.877
394 H LEU 49 H LEU 49 0.025 -3.530 3.316
395 HA LEU 49 HA LEU 49 0.420 -2.044 0.837
396 1HB LEU 49 2HB LEU 49 -1.431 -1.347 2.328
397 2HB LEU 49 1HB LEU 49 -0.256 -0.963 3.576
398 HG LEU 49 HG LEU 49 0.750 0.741 2.099
399 1HD1 LEU 49 1HD1 LEU 49 -0.372 1.399 0.044
400 2HD1 LEU 49 2HD1 LEU 49 -1.535 0.090 0.246
401 3HD1 LEU 49 3HD1 LEU 49 0.164 -0.279 -0.045
402 1HD2 LEU 49 1HD2 LEU 49 -1.083 2.363 2.185
403 2HD2 LEU 49 2HD2 LEU 49 -0.957 1.435 3.677
404 3HD2 LEU 49 3HD2 LEU 49 -2.219 1.053 2.507
405 H ILE 50 H ILE 50 2.555 -2.308 0.422
406 HA ILE 50 HA ILE 50 4.438 -1.523 2.525
407 HB ILE 50 HB ILE 50 4.935 -3.066 -0.023
408 1HG1 ILE 50 2HG1 ILE 50 4.882 -4.028 2.846
409 2HG1 ILE 50 1HG1 ILE 50 3.535 -4.207 1.729
410 1HG2 ILE 50 1HG2 ILE 50 6.905 -1.855 0.631
411 2HG2 ILE 50 2HG2 ILE 50 7.127 -3.558 1.039
412 3HG2 ILE 50 3HG2 ILE 50 6.726 -2.390 2.302
413 1HD1 ILE 50 1HD1 ILE 50 4.772 -6.258 1.900
414 2HD1 ILE 50 2HD1 ILE 50 6.266 -5.431 1.449
415 3HD1 ILE 50 3HD1 ILE 50 4.951 -5.580 0.282
416 H ILE 51 H ILE 51 4.981 0.520 2.448
417 HA ILE 51 HA ILE 51 4.715 1.996 -0.037
418 HB ILE 51 HB ILE 51 4.852 4.002 1.272
419 1HG1 ILE 51 2HG1 ILE 51 5.498 2.246 3.655
420 2HG1 ILE 51 1HG1 ILE 51 6.659 3.257 2.801
421 1HG2 ILE 51 1HG2 ILE 51 2.968 3.695 2.816
422 2HG2 ILE 51 2HG2 ILE 51 3.166 1.946 2.705
423 3HG2 ILE 51 3HG2 ILE 51 2.695 2.874 1.280
424 1HD1 ILE 51 1HD1 ILE 51 4.238 4.231 4.298
425 2HD1 ILE 51 2HD1 ILE 51 5.400 5.245 3.444
426 3HD1 ILE 51 3HD1 ILE 51 5.909 4.314 4.852
427 H HIS 52 H HIS 52 6.321 3.597 -0.605
428 HA HIS 52 HA HIS 52 8.929 2.609 -0.871
429 1HB HIS 52 2HB HIS 52 7.984 4.184 -2.457
430 2HB HIS 52 1HB HIS 52 7.808 5.402 -1.203
431 HD1 HIS 52 HD1 HIS 52 10.239 6.167 -0.136
432 HD2 HIS 52 HD2 HIS 52 10.244 4.484 -3.930
433 HE1 HIS 52 HE1 HIS 52 12.386 6.915 -1.185
434 HE2 HIS 52 HE2 HIS 52 12.230 6.111 -3.577
435 HA PRO 53 HA PRO 53 10.548 3.397 3.313
436 1HB PRO 53 2HB PRO 53 13.112 3.318 2.040
437 2HB PRO 53 1HB PRO 53 12.407 2.142 3.159
438 1HG PRO 53 2HG PRO 53 12.640 2.019 0.258
439 2HG PRO 53 1HG PRO 53 12.211 0.736 1.396
440 1HD PRO 53 2HD PRO 53 10.462 1.860 -0.376
441 2HD PRO 53 1HD PRO 53 9.975 1.101 1.152
442 H ARG 54 H ARG 54 10.154 5.553 3.629
443 HA ARG 54 HA ARG 54 12.038 7.421 3.788
444 1HB ARG 54 2HB ARG 54 12.361 8.602 1.852
445 2HB ARG 54 1HB ARG 54 12.093 6.990 1.188
446 1HG ARG 54 2HG ARG 54 10.711 8.143 -0.177
447 2HG ARG 54 1HG ARG 54 9.575 7.904 1.151
448 1HD ARG 54 2HD ARG 54 9.597 10.224 0.364
449 2HD ARG 54 1HD ARG 54 10.111 10.082 2.036
450 HE ARG 54 HE ARG 54 12.154 10.209 -0.059
451 1HH1 ARG 54 1HH1 ARG 54 10.458 11.753 2.583
452 2HH1 ARG 54 2HH1 ARG 54 11.734 12.894 2.911
453 1HH2 ARG 54 1HH2 ARG 54 13.824 11.722 0.340
454 2HH2 ARG 54 2HH2 ARG 54 13.638 12.890 1.619
455 H LEU 55 H LEU 55 8.798 6.586 3.100
456 HA LEU 55 HA LEU 55 7.747 9.079 4.198
457 1HB LEU 55 2HB LEU 55 6.605 6.778 2.698
458 2HB LEU 55 1HB LEU 55 5.544 7.637 3.796
459 HG LEU 55 HG LEU 55 7.095 8.988 1.596
460 1HD1 LEU 55 1HD1 LEU 55 4.946 9.082 0.403
461 2HD1 LEU 55 2HD1 LEU 55 4.224 8.062 1.647
462 3HD1 LEU 55 3HD1 LEU 55 5.504 7.422 0.617
463 1HD2 LEU 55 1HD2 LEU 55 5.491 10.811 2.042
464 2HD2 LEU 55 2HD2 LEU 55 6.503 10.443 3.440
465 3HD2 LEU 55 3HD2 LEU 55 4.833 9.871 3.385
466 H LYS 56 H LYS 56 9.229 6.910 5.736
467 HA LYS 56 HA LYS 56 7.421 5.438 7.300
468 1HB LYS 56 2HB LYS 56 9.947 5.111 7.047
469 2HB LYS 56 1HB LYS 56 10.117 6.361 8.270
470 1HG LYS 56 2HG LYS 56 8.880 5.022 9.863
471 2HG LYS 56 1HG LYS 56 8.597 3.787 8.634
472 1HD LYS 56 2HD LYS 56 11.108 3.576 8.446
473 2HD LYS 56 1HD LYS 56 11.215 4.586 9.890
474 1HE LYS 56 2HE LYS 56 9.825 2.947 11.101
475 2HE LYS 56 1HE LYS 56 9.810 1.928 9.664
476 1HZ LYS 56 1HZ LYS 56 11.469 1.127 11.154
477 2HZ LYS 56 2HZ LYS 56 12.169 2.666 11.308
478 3HZ LYS 56 3HZ LYS 56 12.267 1.835 9.834
479 H ASP 57 H ASP 57 8.985 8.570 7.871
480 HA ASP 57 HA ASP 57 7.974 9.068 10.438
481 1HB ASP 57 2HB ASP 57 9.752 10.420 9.527
482 2HB ASP 57 1HB ASP 57 8.722 10.967 8.209
483 H ARG 58 H ARG 58 6.728 10.211 7.314
484 HA ARG 58 HA ARG 58 4.412 11.463 8.237
485 1HB ARG 58 2HB ARG 58 5.266 11.781 5.984
486 2HB ARG 58 1HB ARG 58 4.986 10.090 5.605
487 1HG ARG 58 2HG ARG 58 3.271 11.327 4.567
488 2HG ARG 58 1HG ARG 58 2.542 10.515 5.951
489 1HD ARG 58 2HD ARG 58 2.529 12.529 7.221
490 2HD ARG 58 1HD ARG 58 3.514 13.363 6.017
491 HE ARG 58 HE ARG 58 0.735 12.484 5.558
492 1HH1 ARG 58 1HH1 ARG 58 3.345 14.777 5.111
493 2HH1 ARG 58 2HH1 ARG 58 2.432 15.792 4.039
494 1HH2 ARG 58 1HH2 ARG 58 -0.473 13.821 4.178
495 2HH2 ARG 58 2HH2 ARG 58 0.251 15.252 3.499
496 H SER 59 H SER 59 4.897 8.151 7.070
497 HA SER 59 HA SER 59 2.249 7.290 7.295
498 1HB SER 59 2HB SER 59 3.686 5.982 5.978
499 2HB SER 59 1HB SER 59 4.899 5.862 7.246
500 HG SER 59 HG SER 59 2.668 4.816 8.213
501 H SER 60 H SER 60 4.874 7.240 9.694
502 HA SER 60 HA SER 60 3.624 5.570 11.570
503 1HB SER 60 2HB SER 60 5.639 7.779 12.029
504 2HB SER 60 1HB SER 60 5.203 6.546 13.213
505 HG SER 60 HG SER 60 6.486 6.191 10.706
506 H SER 61 H SER 61 2.971 8.845 10.756
507 HA SER 61 HA SER 61 1.763 9.532 13.282
508 1HB SER 61 2HB SER 61 2.823 11.265 11.916
509 2HB SER 61 1HB SER 61 1.704 10.935 10.596
510 HG SER 61 HG SER 61 0.088 11.406 12.471
511 H LEU 62 H LEU 62 0.802 7.620 10.731
512 HA LEU 62 HA LEU 62 -2.043 8.092 11.312
513 1HB LEU 62 2HB LEU 62 -0.780 7.634 8.612
514 2HB LEU 62 1HB LEU 62 -2.504 7.606 8.911
515 HG LEU 62 HG LEU 62 -0.745 10.010 9.384
516 1HD1 LEU 62 1HD1 LEU 62 -1.798 10.913 7.363
517 2HD1 LEU 62 2HD1 LEU 62 -2.581 9.357 7.090
518 3HD1 LEU 62 3HD1 LEU 62 -0.823 9.484 7.023
519 1HD2 LEU 62 1HD2 LEU 62 -3.744 9.699 9.339
520 2HD2 LEU 62 2HD2 LEU 62 -2.863 11.212 9.547
521 3HD2 LEU 62 3HD2 LEU 62 -2.752 9.951 10.776
522 H ALA 63 H ALA 63 0.102 5.846 9.579
523 HA ALA 63 HA ALA 63 -1.302 3.620 10.889
524 1HB ALA 63 1HB ALA 63 -0.474 3.714 7.988
525 2HB ALA 63 2HB ALA 63 -2.128 3.817 8.591
526 3HB ALA 63 3HB ALA 63 -1.198 2.335 8.815
527 H ASP 64 H ASP 64 0.155 2.788 12.198
528 HA ASP 64 HA ASP 64 2.957 3.006 11.862
529 1HB ASP 64 2HB ASP 64 1.221 1.358 13.697
530 2HB ASP 64 1HB ASP 64 2.975 1.231 13.721
531 HA PRO 65 HA PRO 65 3.846 -0.465 9.228
532 1HB PRO 65 2HB PRO 65 6.358 -0.728 10.756
533 2HB PRO 65 1HB PRO 65 6.120 -0.403 9.037
534 1HG PRO 65 2HG PRO 65 6.986 1.503 10.710
535 2HG PRO 65 1HG PRO 65 5.904 1.873 9.353
536 1HD PRO 65 2HD PRO 65 5.266 1.577 12.266
537 2HD PRO 65 1HD PRO 65 4.652 2.759 11.091
538 H ALA 66 H ALA 66 3.822 -2.712 9.334
539 HA ALA 66 HA ALA 66 2.881 -3.847 11.786
540 1HB ALA 66 1HB ALA 66 3.687 -5.213 9.220
541 2HB ALA 66 2HB ALA 66 2.071 -4.629 9.614
542 3HB ALA 66 3HB ALA 66 2.782 -5.946 10.547
543 H SER 67 H SER 67 5.620 -4.839 9.747
544 HA SER 67 HA SER 67 6.993 -5.923 12.003
545 1HB SER 67 2HB SER 67 8.630 -6.646 10.261
546 2HB SER 67 1HB SER 67 7.000 -7.213 9.981
547 HG SER 67 HG SER 67 8.367 -6.081 8.222
548 H ASP 68 H ASP 68 8.242 -4.177 9.484
549 HA ASP 68 HA ASP 68 8.745 -1.674 10.603
550 1HB ASP 68 2HB ASP 68 10.391 -2.922 12.010
551 2HB ASP 68 1HB ASP 68 11.196 -3.462 10.547
552 H ILE 69 H ILE 69 10.626 -3.976 8.750
553 HA ILE 69 HA ILE 69 9.955 -2.611 6.255
554 HB ILE 69 HB ILE 69 12.405 -3.199 5.566
555 1HG1 ILE 69 2HG1 ILE 69 12.836 -2.711 8.517
556 2HG1 ILE 69 1HG1 ILE 69 12.830 -4.324 7.817
557 1HG2 ILE 69 1HG2 ILE 69 11.810 -0.832 7.338
558 2HG2 ILE 69 2HG2 ILE 69 11.472 -0.944 5.611
559 3HG2 ILE 69 3HG2 ILE 69 13.141 -0.955 6.186
560 1HD1 ILE 69 1HD1 ILE 69 14.713 -2.091 7.078
561 2HD1 ILE 69 2HD1 ILE 69 14.730 -3.726 6.414
562 3HD1 ILE 69 3HD1 ILE 69 15.091 -3.464 8.119
563 H LYS 70 H LYS 70 10.666 -4.099 4.371
564 HA LYS 70 HA LYS 70 10.672 -6.921 5.140
565 1HB LYS 70 2HB LYS 70 8.288 -6.157 4.760
566 2HB LYS 70 1HB LYS 70 8.734 -5.834 3.090
567 1HG LYS 70 2HG LYS 70 9.231 -8.165 2.724
568 2HG LYS 70 1HG LYS 70 8.913 -8.528 4.424
569 1HD LYS 70 2HD LYS 70 6.583 -7.757 4.115
570 2HD LYS 70 1HD LYS 70 6.922 -7.493 2.405
571 1HE LYS 70 2HE LYS 70 7.121 -10.140 3.838
572 2HE LYS 70 1HE LYS 70 5.780 -9.634 2.812
573 1HZ LYS 70 1HZ LYS 70 7.219 -11.003 1.529
574 2HZ LYS 70 2HZ LYS 70 8.594 -10.121 1.988
575 3HZ LYS 70 3HZ LYS 70 7.424 -9.411 0.980
576 H THR 71 H THR 71 12.574 -7.493 4.281
577 HA THR 71 HA THR 71 13.466 -6.449 1.744
578 HB THR 71 HB THR 71 15.349 -8.177 2.159
579 HG1 THR 71 HG1 THR 71 14.541 -9.472 3.742
580 1HG2 THR 71 1HG2 THR 71 15.594 -5.756 2.487
581 2HG2 THR 71 2HG2 THR 71 16.480 -6.672 3.709
582 3HG2 THR 71 3HG2 THR 71 14.938 -5.917 4.116
583 H CYS 72 H CYS 72 13.202 -7.359 -0.176
584 HA CYS 72 HA CYS 72 13.071 -10.108 -0.722
585 1HB CYS 72 2HB CYS 72 10.889 -10.024 0.386
586 2HB CYS 72 1HB CYS 72 10.387 -8.704 -0.664
587 HG CYS 72 HG CYS 72 10.066 -11.917 -1.124
588 H ASP 73 H ASP 73 12.894 -10.509 -2.986
589 HA ASP 73 HA ASP 73 13.737 -8.214 -4.509
590 1HB ASP 73 2HB ASP 73 14.859 -10.428 -4.733
591 2HB ASP 73 1HB ASP 73 13.386 -11.057 -5.472
592 H HIS 74 H HIS 74 11.452 -7.374 -4.027
593 HA HIS 74 HA HIS 74 10.104 -7.451 -6.604
594 1HB HIS 74 2HB HIS 74 8.620 -7.907 -3.999
595 2HB HIS 74 1HB HIS 74 7.835 -7.466 -5.505
596 HD1 HIS 74 HD1 HIS 74 7.584 -9.327 -7.297
597 HD2 HIS 74 HD2 HIS 74 9.462 -10.563 -3.802
598 HE1 HIS 74 HE1 HIS 74 7.582 -11.847 -7.377
599 HE2 HIS 74 HE2 HIS 74 8.817 -12.563 -5.300
600 H TYR 75 H TYR 75 10.263 -6.106 -3.345
601 HA TYR 75 HA TYR 75 9.302 -3.523 -4.283
602 1HB TYR 75 2HB TYR 75 10.262 -3.736 -1.503
603 2HB TYR 75 1HB TYR 75 8.748 -3.090 -2.126
604 HD1 TYR 75 HD1 TYR 75 6.986 -4.833 -2.904
605 HD2 TYR 75 HD2 TYR 75 10.278 -5.768 -0.378
606 HE1 TYR 75 HE1 TYR 75 5.816 -6.850 -2.137
607 HE2 TYR 75 HE2 TYR 75 9.116 -7.787 0.397
608 HH TYR 75 HH TYR 75 6.322 -9.005 -1.140
609 H GLN 76 H GLN 76 11.049 -2.775 -5.567
610 HA GLN 76 HA GLN 76 13.682 -2.748 -4.398
611 1HB GLN 76 2HB GLN 76 14.308 -1.600 -6.527
612 2HB GLN 76 1HB GLN 76 13.640 -3.210 -6.716
613 1HG GLN 76 2HG GLN 76 11.460 -2.185 -7.283
614 2HG GLN 76 1HG GLN 76 12.224 -0.598 -7.204
615 1HE2 GLN 76 1HE2 GLN 76 11.851 -0.126 -9.344
616 2HE2 GLN 76 2HE2 GLN 76 12.696 -0.903 -10.636
617 H ASN 77 H ASN 77 11.389 -0.298 -5.556
618 HA ASN 77 HA ASN 77 11.015 1.850 -4.993
619 1HB ASN 77 2HB ASN 77 12.396 1.029 -2.436
620 2HB ASN 77 1HB ASN 77 11.639 2.600 -2.681
621 1HD2 ASN 77 1HD2 ASN 77 11.148 -0.726 -1.992
622 2HD2 ASN 77 2HD2 ASN 77 9.433 -0.642 -1.781
623 H PHE 78 H PHE 78 14.135 1.504 -3.350
624 HA PHE 78 HA PHE 78 15.691 2.841 -5.228
625 1HB PHE 78 2HB PHE 78 14.400 4.819 -4.887
626 2HB PHE 78 1HB PHE 78 14.484 4.640 -3.137
627 HD1 PHE 78 HD1 PHE 78 16.068 5.833 -1.963
628 HD2 PHE 78 HD2 PHE 78 16.699 5.070 -6.099
629 HE1 PHE 78 HE1 PHE 78 18.098 7.219 -1.906
630 HE2 PHE 78 HE2 PHE 78 18.730 6.458 -6.049
631 HZ PHE 78 HZ PHE 78 19.428 7.535 -3.948
632 HA PRO 79 HA PRO 79 17.878 3.313 -0.897
633 1HB PRO 79 2HB PRO 79 16.273 1.312 0.625
634 2HB PRO 79 1HB PRO 79 17.007 2.824 1.179
635 1HG PRO 79 2HG PRO 79 14.417 2.774 0.748
636 2HG PRO 79 1HG PRO 79 15.366 4.137 0.126
637 1HD PRO 79 2HD PRO 79 14.348 1.738 -1.341
638 2HD PRO 79 1HD PRO 79 14.278 3.454 -1.801
639 H LEU 80 H LEU 80 16.557 0.016 -0.979
640 HA LEU 80 HA LEU 80 17.514 -2.028 -1.364
641 1HB LEU 80 2HB LEU 80 18.588 -0.409 -3.250
642 2HB LEU 80 1HB LEU 80 20.046 -0.916 -2.417
643 HG LEU 80 HG LEU 80 18.053 -2.613 -3.900
644 1HD1 LEU 80 1HD1 LEU 80 20.019 -3.291 -5.167
645 2HD1 LEU 80 2HD1 LEU 80 21.028 -2.234 -4.180
646 3HD1 LEU 80 3HD1 LEU 80 19.788 -1.545 -5.227
647 1HD2 LEU 80 1HD2 LEU 80 18.538 -3.779 -1.850
648 2HD2 LEU 80 2HD2 LEU 80 20.267 -3.529 -2.085
649 3HD2 LEU 80 3HD2 LEU 80 19.365 -4.559 -3.196
650 H TYR 81 H TYR 81 18.139 -3.167 0.329
651 HA TYR 81 HA TYR 81 19.661 -2.006 2.441
652 1HB TYR 81 2HB TYR 81 17.765 -3.819 2.483
653 2HB TYR 81 1HB TYR 81 19.093 -4.945 2.241
654 HD1 TYR 81 HD1 TYR 81 17.917 -2.236 4.502
655 HD2 TYR 81 HD2 TYR 81 20.323 -5.718 4.076
656 HE1 TYR 81 HE1 TYR 81 18.316 -2.250 6.930
657 HE2 TYR 81 HE2 TYR 81 20.729 -5.740 6.500
658 HH TYR 81 HH TYR 81 18.942 -3.816 8.680
659 H LEU 82 H LEU 82 21.772 -2.183 2.899
660 HA LEU 82 HA LEU 82 23.496 -3.393 0.907
661 1HB LEU 82 2HB LEU 82 23.793 -1.430 3.100
662 2HB LEU 82 1HB LEU 82 25.200 -2.419 2.775
663 HG LEU 82 HG LEU 82 25.230 -0.233 1.606
664 1HD1 LEU 82 1HD1 LEU 82 25.859 -1.128 -0.586
665 2HD1 LEU 82 2HD1 LEU 82 25.108 -2.666 -0.162
666 3HD1 LEU 82 3HD1 LEU 82 26.513 -2.093 0.738
667 1HD2 LEU 82 1HD2 LEU 82 22.922 -1.378 0.037
668 2HD2 LEU 82 2HD2 LEU 82 23.766 0.135 -0.299
669 3HD2 LEU 82 3HD2 LEU 82 22.823 -0.038 1.181
670 H GLY 83 H GLY 83 22.731 -3.806 4.331
671 1HA GLY 83 2HA GLY 83 24.762 -5.764 4.799
672 2HA GLY 83 1HA GLY 83 23.435 -5.364 5.875
673 H GLY 84 H GLY 84 24.239 -7.155 2.951
674 1HA GLY 84 2HA GLY 84 22.701 -9.419 3.881
675 2HA GLY 84 1HA GLY 84 22.047 -8.644 2.441
676 H GLU 85 H GLU 85 22.595 -9.719 0.665
677 HA GLU 85 HA GLU 85 25.397 -10.610 0.434
678 1HB GLU 85 2HB GLU 85 23.932 -12.560 0.865
679 2HB GLU 85 1HB GLU 85 22.995 -12.151 -0.566
680 1HG GLU 85 2HG GLU 85 24.599 -13.971 -0.953
681 2HG GLU 85 1HG GLU 85 24.886 -12.572 -1.989
682 H THR 86 H THR 86 22.684 -10.840 -1.826
683 HA THR 86 HA THR 86 24.222 -9.463 -3.853
684 HB THR 86 HB THR 86 22.861 -11.421 -4.482
685 HG1 THR 86 HG1 THR 86 22.166 -8.896 -5.580
686 1HG2 THR 86 1HG2 THR 86 21.038 -11.133 -2.871
687 2HG2 THR 86 2HG2 THR 86 20.419 -11.287 -4.517
688 3HG2 THR 86 3HG2 THR 86 20.488 -9.703 -3.744
689 H HIS 87 H HIS 87 22.749 -8.403 -1.285
690 HA HIS 87 HA HIS 87 21.833 -6.486 -0.553
691 1HB HIS 87 2HB HIS 87 22.260 -5.463 -3.366
692 2HB HIS 87 1HB HIS 87 21.798 -4.481 -1.982
693 HD1 HIS 87 HD1 HIS 87 23.778 -5.565 0.113
694 HD2 HIS 87 HD2 HIS 87 24.801 -4.597 -3.795
695 HE1 HIS 87 HE1 HIS 87 26.253 -5.156 0.145
696 HE2 HIS 87 HE2 HIS 87 26.867 -4.603 -2.232
697 H GLU 88 H GLU 88 19.800 -6.375 -0.021
698 HA GLU 88 HA GLU 88 17.850 -7.298 -2.007
699 1HB GLU 88 2HB GLU 88 16.643 -7.943 0.321
700 2HB GLU 88 1HB GLU 88 17.656 -9.048 -0.593
701 1HG GLU 88 2HG GLU 88 18.898 -7.299 1.474
702 2HG GLU 88 1HG GLU 88 17.996 -8.729 1.972
703 H HIS 89 H HIS 89 16.719 -5.646 -2.651
704 HA HIS 89 HA HIS 89 16.296 -3.301 -1.138
705 1HB HIS 89 2HB HIS 89 14.403 -3.004 -2.980
706 2HB HIS 89 1HB HIS 89 16.107 -2.773 -3.342
707 HD1 HIS 89 HD1 HIS 89 16.821 -3.888 -5.418
708 HD2 HIS 89 HD2 HIS 89 13.633 -5.876 -3.642
709 HE1 HIS 89 HE1 HIS 89 16.230 -5.746 -6.991
710 HE2 HIS 89 HE2 HIS 89 14.430 -7.049 -5.824
711 H TYR 90 H TYR 90 14.351 -2.456 -0.283
712 HA TYR 90 HA TYR 90 12.489 -4.503 0.665
713 1HB TYR 90 2HB TYR 90 12.778 -3.714 2.984
714 2HB TYR 90 1HB TYR 90 14.269 -4.384 2.332
715 HD1 TYR 90 HD1 TYR 90 16.190 -2.959 1.903
716 HD2 TYR 90 HD2 TYR 90 12.580 -1.321 3.447
717 HE1 TYR 90 HE1 TYR 90 17.388 -0.892 2.492
718 HE2 TYR 90 HE2 TYR 90 13.767 0.752 4.036
719 HH TYR 90 HH TYR 90 16.941 1.443 2.935
720 H GLY 91 H GLY 91 10.702 -3.524 1.935
721 1HA GLY 91 2HA GLY 91 10.247 -0.668 1.438
722 2HA GLY 91 1HA GLY 91 9.010 -1.822 0.945
723 H ILE 92 H ILE 92 8.026 -0.117 2.640
724 HA ILE 92 HA ILE 92 8.329 -1.251 5.340
725 HB ILE 92 HB ILE 92 6.953 1.328 4.559
726 1HG1 ILE 92 2HG1 ILE 92 9.722 0.926 5.716
727 2HG1 ILE 92 1HG1 ILE 92 9.392 1.321 4.034
728 1HG2 ILE 92 1HG2 ILE 92 7.186 1.845 6.964
729 2HG2 ILE 92 2HG2 ILE 92 7.835 0.225 7.226
730 3HG2 ILE 92 3HG2 ILE 92 6.174 0.430 6.670
731 1HD1 ILE 92 1HD1 ILE 92 10.062 3.276 5.315
732 2HD1 ILE 92 2HD1 ILE 92 8.694 3.036 6.401
733 3HD1 ILE 92 3HD1 ILE 92 8.415 3.436 4.705
734 HA PRO 93 HA PRO 93 4.421 -3.161 4.276
735 1HB PRO 93 2HB PRO 93 4.554 -5.008 6.337
736 2HB PRO 93 1HB PRO 93 5.256 -5.205 4.729
737 1HG PRO 93 2HG PRO 93 6.602 -4.861 7.242
738 2HG PRO 93 1HG PRO 93 7.310 -5.139 5.649
739 1HD PRO 93 2HD PRO 93 7.070 -2.655 7.163
740 2HD PRO 93 1HD PRO 93 8.077 -3.015 5.749
741 H HIS 94 H HIS 94 2.416 -2.704 4.832
742 HA HIS 94 HA HIS 94 1.777 -2.084 7.638
743 1HB HIS 94 2HB HIS 94 0.676 -0.643 5.211
744 2HB HIS 94 1HB HIS 94 0.215 -0.350 6.882
745 HD1 HIS 94 HD1 HIS 94 3.219 -0.024 4.609
746 HD2 HIS 94 HD2 HIS 94 1.730 1.515 8.165
747 HE1 HIS 94 HE1 HIS 94 4.779 1.831 5.240
748 HE2 HIS 94 HE2 HIS 94 3.675 2.930 7.229
749 H GLY 95 H GLY 95 -0.834 -1.899 7.647
750 1HA GLY 95 2HA GLY 95 -2.300 -3.579 5.904
751 2HA GLY 95 1HA GLY 95 -1.839 -4.473 7.351
752 H PHE 96 H PHE 96 -4.532 -3.970 6.750
753 HA PHE 96 HA PHE 96 -5.289 -1.998 8.776
754 1HB PHE 96 2HB PHE 96 -6.352 -1.912 5.939
755 2HB PHE 96 1HB PHE 96 -6.806 -0.836 7.261
756 HD1 PHE 96 HD1 PHE 96 -4.254 -1.671 4.801
757 HD2 PHE 96 HD2 PHE 96 -5.276 0.885 8.046
758 HE1 PHE 96 HE1 PHE 96 -2.389 -0.184 4.209
759 HE2 PHE 96 HE2 PHE 96 -3.417 2.381 7.456
760 HZ PHE 96 HZ PHE 96 -1.968 1.848 5.540
761 H SER 97 H SER 97 -7.323 -2.289 9.658
762 HA SER 97 HA SER 97 -8.326 -4.983 9.436
763 1HB SER 97 2HB SER 97 -9.417 -2.801 11.210
764 2HB SER 97 1HB SER 97 -9.463 -4.546 11.467
765 HG SER 97 HG SER 97 -7.559 -4.446 12.351
766 H SER 98 H SER 98 -9.231 -1.883 8.199
767 HA SER 98 HA SER 98 -11.639 -3.026 7.057
768 1HB SER 98 2HB SER 98 -11.735 -0.611 8.877
769 2HB SER 98 1HB SER 98 -13.069 -1.155 7.858
770 HG SER 98 HG SER 98 -12.299 -3.270 9.185
771 H ARG 99 H ARG 99 -12.490 -1.864 5.307
772 HA ARG 99 HA ARG 99 -10.511 -0.760 3.644
773 1HB ARG 99 2HB ARG 99 -13.513 -0.624 3.303
774 2HB ARG 99 1HB ARG 99 -12.326 -0.289 2.052
775 1HG ARG 99 2HG ARG 99 -12.928 -2.437 1.539
776 2HG ARG 99 1HG ARG 99 -11.518 -2.715 2.561
777 1HD ARG 99 2HD ARG 99 -13.043 -3.009 4.496
778 2HD ARG 99 1HD ARG 99 -14.411 -2.853 3.395
779 HE ARG 99 HE ARG 99 -12.505 -4.932 2.716
780 1HH1 ARG 99 1HH1 ARG 99 -15.515 -4.110 4.313
781 2HH1 ARG 99 2HH1 ARG 99 -16.043 -5.766 4.432
782 1HH2 ARG 99 1HH2 ARG 99 -13.222 -7.075 2.818
783 2HH2 ARG 99 2HH2 ARG 99 -14.750 -7.445 3.555
784 H ILE 100 H ILE 100 -13.277 0.800 5.256
785 HA ILE 100 HA ILE 100 -12.829 3.369 4.217
786 HB ILE 100 HB ILE 100 -14.956 2.673 5.274
787 1HG1 ILE 100 2HG1 ILE 100 -15.383 4.793 6.508
788 2HG1 ILE 100 1HG1 ILE 100 -13.654 5.120 6.485
789 1HG2 ILE 100 1HG2 ILE 100 -14.115 1.446 7.157
790 2HG2 ILE 100 2HG2 ILE 100 -15.140 2.763 7.734
791 3HG2 ILE 100 3HG2 ILE 100 -13.383 2.906 7.822
792 1HD1 ILE 100 1HD1 ILE 100 -15.429 4.862 4.070
793 2HD1 ILE 100 2HD1 ILE 100 -13.698 5.200 4.053
794 3HD1 ILE 100 3HD1 ILE 100 -14.817 6.366 4.759
795 H ALA 101 H ALA 101 -11.445 1.741 7.005
796 HA ALA 101 HA ALA 101 -10.237 3.999 8.192
797 1HB ALA 101 1HB ALA 101 -9.302 1.126 8.229
798 2HB ALA 101 2HB ALA 101 -10.459 1.843 9.352
799 3HB ALA 101 3HB ALA 101 -8.784 2.401 9.333
800 H LEU 102 H LEU 102 -9.061 1.613 5.844
801 HA LEU 102 HA LEU 102 -6.546 2.717 5.338
802 1HB LEU 102 2HB LEU 102 -7.118 0.536 4.513
803 2HB LEU 102 1HB LEU 102 -8.455 1.176 3.580
804 HG LEU 102 HG LEU 102 -6.897 2.280 2.054
805 1HD1 LEU 102 1HD1 LEU 102 -4.487 1.826 2.225
806 2HD1 LEU 102 2HD1 LEU 102 -4.763 1.052 3.788
807 3HD1 LEU 102 3HD1 LEU 102 -5.094 2.772 3.583
808 1HD2 LEU 102 1HD2 LEU 102 -5.987 0.296 0.999
809 2HD2 LEU 102 2HD2 LEU 102 -7.604 -0.039 1.623
810 3HD2 LEU 102 3HD2 LEU 102 -6.182 -0.616 2.496
811 H GLU 103 H GLU 103 -9.711 3.434 3.988
812 HA GLU 103 HA GLU 103 -9.026 5.256 1.999
813 1HB GLU 103 2HB GLU 103 -11.308 4.219 2.575
814 2HB GLU 103 1HB GLU 103 -11.454 5.489 3.774
815 1HG GLU 103 2HG GLU 103 -10.875 6.244 0.955
816 2HG GLU 103 1HG GLU 103 -12.511 5.762 1.401
817 H ARG 104 H ARG 104 -9.870 5.867 5.401
818 HA ARG 104 HA ARG 104 -9.428 8.667 5.341
819 1HB ARG 104 2HB ARG 104 -9.280 6.765 7.702
820 2HB ARG 104 1HB ARG 104 -9.456 8.509 7.794
821 1HG ARG 104 2HG ARG 104 -11.477 6.719 6.478
822 2HG ARG 104 1HG ARG 104 -11.540 7.167 8.181
823 1HD ARG 104 2HD ARG 104 -12.965 8.676 7.090
824 2HD ARG 104 1HD ARG 104 -11.486 9.580 7.397
825 HE ARG 104 HE ARG 104 -12.056 8.356 4.762
826 1HH1 ARG 104 1HH1 ARG 104 -11.108 11.115 6.729
827 2HH1 ARG 104 2HH1 ARG 104 -10.808 12.132 5.351
828 1HH2 ARG 104 1HH2 ARG 104 -11.640 9.668 2.981
829 2HH2 ARG 104 2HH2 ARG 104 -11.095 11.305 3.224
830 H TYR 105 H TYR 105 -7.268 5.935 5.865
831 HA TYR 105 HA TYR 105 -5.140 7.504 6.935
832 1HB TYR 105 2HB TYR 105 -5.312 4.698 5.878
833 2HB TYR 105 1HB TYR 105 -3.781 5.413 6.358
834 HD1 TYR 105 HD1 TYR 105 -4.660 6.985 8.733
835 HD2 TYR 105 HD2 TYR 105 -5.643 3.036 7.496
836 HE1 TYR 105 HE1 TYR 105 -5.090 6.364 11.072
837 HE2 TYR 105 HE2 TYR 105 -6.080 2.406 9.829
838 HH TYR 105 HH TYR 105 -5.325 3.211 12.115
839 H LEU 106 H LEU 106 -5.711 6.011 3.734
840 HA LEU 106 HA LEU 106 -3.412 7.030 2.479
841 1HB LEU 106 2HB LEU 106 -6.131 6.499 1.268
842 2HB LEU 106 1HB LEU 106 -4.651 6.736 0.362
843 HG LEU 106 HG LEU 106 -5.207 4.441 2.244
844 1HD1 LEU 106 1HD1 LEU 106 -5.258 3.089 0.204
845 2HD1 LEU 106 2HD1 LEU 106 -5.068 4.550 -0.766
846 3HD1 LEU 106 3HD1 LEU 106 -6.525 4.316 0.201
847 1HD2 LEU 106 1HD2 LEU 106 -3.125 3.502 1.351
848 2HD2 LEU 106 2HD2 LEU 106 -2.845 5.017 2.212
849 3HD2 LEU 106 3HD2 LEU 106 -2.846 4.989 0.448
850 H ASN 107 H ASN 107 -6.476 8.416 3.229
851 HA ASN 107 HA ASN 107 -6.609 10.668 1.639
852 1HB ASN 107 2HB ASN 107 -8.287 9.760 3.329
853 2HB ASN 107 1HB ASN 107 -7.344 10.578 4.566
854 1HD2 ASN 107 1HD2 ASN 107 -9.454 10.955 1.858
855 2HD2 ASN 107 2HD2 ASN 107 -9.813 12.620 2.122
856 H GLY 108 H GLY 108 -5.167 10.399 4.878
857 1HA GLY 108 2HA GLY 108 -4.004 13.050 4.627
858 2HA GLY 108 1HA GLY 108 -3.924 12.008 6.037
859 H LEU 109 H LEU 109 -2.976 9.772 4.175
860 HA LEU 109 HA LEU 109 -0.192 10.301 4.636
861 1HB LEU 109 2HB LEU 109 -1.168 8.070 4.986
862 2HB LEU 109 1HB LEU 109 -1.509 7.952 3.270
863 HG LEU 109 HG LEU 109 0.900 7.995 2.780
864 1HD1 LEU 109 1HD1 LEU 109 1.254 7.978 5.772
865 2HD1 LEU 109 2HD1 LEU 109 1.605 9.340 4.709
866 3HD1 LEU 109 3HD1 LEU 109 2.534 7.846 4.566
867 1HD2 LEU 109 1HD2 LEU 109 -0.204 5.850 3.102
868 2HD2 LEU 109 2HD2 LEU 109 0.121 5.930 4.833
869 3HD2 LEU 109 3HD2 LEU 109 1.458 5.800 3.689
870 H PHE 110 H PHE 110 -2.114 9.648 1.704
871 HA PHE 110 HA PHE 110 0.155 10.675 0.141
872 1HB PHE 110 2HB PHE 110 -2.121 8.882 -0.720
873 2HB PHE 110 1HB PHE 110 -0.849 9.478 -1.779
874 HD1 PHE 110 HD1 PHE 110 1.611 9.037 -0.741
875 HD2 PHE 110 HD2 PHE 110 -1.882 6.726 0.016
876 HE1 PHE 110 HE1 PHE 110 3.018 7.107 -0.165
877 HE2 PHE 110 HE2 PHE 110 -0.478 4.791 0.597
878 HZ PHE 110 HZ PHE 110 1.976 4.979 0.505
879 H GLY 111 H GLY 111 -3.195 11.177 0.916
880 1HA GLY 111 2HA GLY 111 -4.231 13.281 0.614
881 2HA GLY 111 1HA GLY 111 -3.139 13.594 -0.727
882 H ASP 112 H ASP 112 -6.226 12.825 0.083
883 HA ASP 112 HA ASP 112 -7.082 11.033 -1.828
884 1HB ASP 112 2HB ASP 112 -9.303 11.959 -1.601
885 2HB ASP 112 1HB ASP 112 -8.539 11.859 -0.026
Start of MODEL 13
1 1H MET 1 1HT MET 1 -10.877 -7.804 11.285
2 2H MET 1 2HT MET 1 -9.499 -8.080 12.228
3 3H MET 1 3HT MET 1 -10.710 -9.259 12.139
4 HA MET 1 HA MET 1 -8.749 -9.805 10.790
5 1HB MET 1 2HB MET 1 -11.090 -10.573 10.250
6 2HB MET 1 1HB MET 1 -11.213 -9.219 9.134
7 1HG MET 1 2HG MET 1 -9.391 -10.113 7.809
8 2HG MET 1 1HG MET 1 -9.194 -11.443 8.949
9 1HE MET 1 1HE MET 1 -12.595 -13.369 8.485
10 2HE MET 1 2HE MET 1 -12.267 -12.076 9.638
11 3HE MET 1 3HE MET 1 -11.056 -13.326 9.347
12 H TYR 2 H TYR 2 -7.400 -9.262 9.014
13 HA TYR 2 HA TYR 2 -7.391 -6.397 8.458
14 1HB TYR 2 2HB TYR 2 -5.290 -8.536 8.197
15 2HB TYR 2 1HB TYR 2 -5.079 -6.936 7.487
16 HD1 TYR 2 HD1 TYR 2 -5.829 -8.614 10.742
17 HD2 TYR 2 HD2 TYR 2 -4.202 -5.207 8.780
18 HE1 TYR 2 HE1 TYR 2 -5.048 -7.747 12.907
19 HE2 TYR 2 HE2 TYR 2 -3.414 -4.332 10.939
20 HH TYR 2 HH TYR 2 -3.533 -6.228 13.855
21 H LEU 3 H LEU 3 -6.365 -5.958 6.142
22 HA LEU 3 HA LEU 3 -8.504 -6.816 4.399
23 1HB LEU 3 2HB LEU 3 -6.320 -4.783 3.952
24 2HB LEU 3 1HB LEU 3 -7.695 -5.049 2.899
25 HG LEU 3 HG LEU 3 -7.767 -3.977 5.717
26 1HD1 LEU 3 1HD1 LEU 3 -8.466 -2.721 3.069
27 2HD1 LEU 3 2HD1 LEU 3 -7.018 -2.388 4.019
28 3HD1 LEU 3 3HD1 LEU 3 -8.607 -1.957 4.653
29 1HD2 LEU 3 1HD2 LEU 3 -10.040 -4.601 3.833
30 2HD2 LEU 3 2HD2 LEU 3 -10.188 -3.711 5.348
31 3HD2 LEU 3 3HD2 LEU 3 -9.697 -5.404 5.366
32 H ARG 4 H ARG 4 -8.172 -7.440 2.217
33 HA ARG 4 HA ARG 4 -6.002 -9.381 1.970
34 1HB ARG 4 2HB ARG 4 -8.325 -8.879 0.099
35 2HB ARG 4 1HB ARG 4 -7.298 -10.309 0.159
36 1HG ARG 4 2HG ARG 4 -8.194 -10.947 2.276
37 2HG ARG 4 1HG ARG 4 -9.078 -9.426 2.413
38 1HD ARG 4 2HD ARG 4 -10.316 -10.083 0.325
39 2HD ARG 4 1HD ARG 4 -9.570 -11.672 0.475
40 HE ARG 4 HE ARG 4 -10.894 -10.826 2.872
41 1HH1 ARG 4 1HH1 ARG 4 -11.401 -12.271 -0.277
42 2HH1 ARG 4 2HH1 ARG 4 -12.790 -13.187 0.223
43 1HH2 ARG 4 1HH2 ARG 4 -12.768 -11.976 3.515
44 2HH2 ARG 4 2HH2 ARG 4 -13.601 -12.978 2.365
45 HA PRO 5 HA PRO 5 -3.401 -7.250 -0.894
46 1HB PRO 5 2HB PRO 5 -3.368 -9.051 -3.041
47 2HB PRO 5 1HB PRO 5 -2.274 -9.062 -1.657
48 1HG PRO 5 2HG PRO 5 -4.718 -10.684 -2.161
49 2HG PRO 5 1HG PRO 5 -3.217 -11.136 -1.334
50 1HD PRO 5 2HD PRO 5 -5.467 -10.607 0.029
51 2HD PRO 5 1HD PRO 5 -3.873 -10.146 0.662
52 H ASP 6 H ASP 6 -5.869 -8.930 -2.860
53 HA ASP 6 HA ASP 6 -6.074 -6.974 -4.860
54 1HB ASP 6 2HB ASP 6 -6.923 -9.248 -5.162
55 2HB ASP 6 1HB ASP 6 -8.139 -8.981 -3.917
56 H GLU 7 H GLU 7 -7.596 -7.292 -1.764
57 HA GLU 7 HA GLU 7 -9.700 -5.446 -2.105
58 1HB GLU 7 2HB GLU 7 -9.666 -7.168 -0.376
59 2HB GLU 7 1HB GLU 7 -8.275 -6.409 0.379
60 1HG GLU 7 2HG GLU 7 -9.557 -4.568 1.104
61 2HG GLU 7 1HG GLU 7 -10.922 -5.026 0.080
62 H VAL 8 H VAL 8 -6.452 -5.149 -0.698
63 HA VAL 8 HA VAL 8 -6.574 -2.396 -0.105
64 HB VAL 8 HB VAL 8 -4.164 -4.095 -0.799
65 1HG1 VAL 8 1HG1 VAL 8 -3.674 -1.722 -1.096
66 2HG1 VAL 8 2HG1 VAL 8 -2.831 -2.372 0.310
67 3HG1 VAL 8 3HG1 VAL 8 -4.278 -1.388 0.528
68 1HG2 VAL 8 1HG2 VAL 8 -5.320 -3.298 1.872
69 2HG2 VAL 8 2HG2 VAL 8 -3.840 -4.223 1.625
70 3HG2 VAL 8 3HG2 VAL 8 -5.394 -4.904 1.147
71 H ALA 9 H ALA 9 -5.394 -4.132 -2.972
72 HA ALA 9 HA ALA 9 -4.565 -1.913 -4.462
73 1HB ALA 9 1HB ALA 9 -4.725 -3.375 -6.410
74 2HB ALA 9 2HB ALA 9 -5.671 -4.530 -5.472
75 3HB ALA 9 3HB ALA 9 -3.989 -4.214 -5.044
76 H ARG 10 H ARG 10 -7.716 -3.412 -4.105
77 HA ARG 10 HA ARG 10 -9.138 -2.108 -6.118
78 1HB ARG 10 2HB ARG 10 -9.840 -3.981 -4.449
79 2HB ARG 10 1HB ARG 10 -10.310 -2.652 -3.403
80 1HG ARG 10 2HG ARG 10 -12.288 -3.162 -4.450
81 2HG ARG 10 1HG ARG 10 -11.677 -1.852 -5.462
82 1HD ARG 10 2HD ARG 10 -11.236 -4.772 -6.056
83 2HD ARG 10 1HD ARG 10 -12.581 -3.839 -6.706
84 HE ARG 10 HE ARG 10 -10.763 -2.364 -7.688
85 1HH1 ARG 10 1HH1 ARG 10 -10.250 -5.778 -7.036
86 2HH1 ARG 10 2HH1 ARG 10 -9.150 -5.998 -8.357
87 1HH2 ARG 10 1HH2 ARG 10 -9.321 -2.659 -9.444
88 2HH2 ARG 10 2HH2 ARG 10 -8.613 -4.221 -9.724
89 H VAL 11 H VAL 11 -8.579 -1.169 -2.736
90 HA VAL 11 HA VAL 11 -9.971 1.301 -2.873
91 HB VAL 11 HB VAL 11 -7.730 0.536 -0.988
92 1HG1 VAL 11 1HG1 VAL 11 -8.169 2.919 -0.960
93 2HG1 VAL 11 2HG1 VAL 11 -8.779 2.185 0.525
94 3HG1 VAL 11 3HG1 VAL 11 -9.896 2.625 -0.767
95 1HG2 VAL 11 1HG2 VAL 11 -10.711 0.169 -0.701
96 2HG2 VAL 11 2HG2 VAL 11 -9.513 -0.149 0.553
97 3HG2 VAL 11 3HG2 VAL 11 -9.521 -1.112 -0.925
98 H LEU 12 H LEU 12 -6.593 0.400 -3.421
99 HA LEU 12 HA LEU 12 -5.509 2.972 -3.667
100 1HB LEU 12 2HB LEU 12 -4.735 0.383 -4.999
101 2HB LEU 12 1HB LEU 12 -3.786 1.853 -5.119
102 HG LEU 12 HG LEU 12 -4.417 0.411 -2.540
103 1HD1 LEU 12 1HD1 LEU 12 -1.861 0.514 -4.137
104 2HD1 LEU 12 2HD1 LEU 12 -2.924 -0.885 -3.979
105 3HD1 LEU 12 3HD1 LEU 12 -2.076 -0.256 -2.566
106 1HD2 LEU 12 1HD2 LEU 12 -2.579 2.733 -3.126
107 2HD2 LEU 12 2HD2 LEU 12 -2.741 1.912 -1.573
108 3HD2 LEU 12 3HD2 LEU 12 -4.102 2.813 -2.240
109 H GLU 13 H GLU 13 -6.890 0.842 -6.159
110 HA GLU 13 HA GLU 13 -6.602 2.477 -8.379
111 1HB GLU 13 2HB GLU 13 -8.759 0.523 -7.603
112 2HB GLU 13 1HB GLU 13 -8.721 1.314 -9.165
113 1HG GLU 13 2HG GLU 13 -6.432 -0.316 -8.127
114 2HG GLU 13 1HG GLU 13 -7.765 -1.015 -9.043
115 H LYS 14 H LYS 14 -9.098 2.440 -5.901
116 HA LYS 14 HA LYS 14 -10.757 4.419 -7.103
117 1HB LYS 14 2HB LYS 14 -11.291 2.623 -5.305
118 2HB LYS 14 1HB LYS 14 -10.690 3.806 -4.163
119 1HG LYS 14 2HG LYS 14 -12.788 4.627 -6.108
120 2HG LYS 14 1HG LYS 14 -13.242 3.650 -4.711
121 1HD LYS 14 2HD LYS 14 -11.610 6.154 -4.431
122 2HD LYS 14 1HD LYS 14 -13.374 6.197 -4.469
123 1HE LYS 14 2HE LYS 14 -13.432 4.669 -2.551
124 2HE LYS 14 1HE LYS 14 -11.670 4.652 -2.518
125 1HZ LYS 14 1HZ LYS 14 -12.758 6.192 -0.906
126 2HZ LYS 14 2HZ LYS 14 -13.266 7.139 -2.226
127 3HZ LYS 14 3HZ LYS 14 -11.611 6.922 -1.923
128 H ALA 15 H ALA 15 -8.300 4.464 -4.586
129 HA ALA 15 HA ALA 15 -8.560 7.114 -3.749
130 1HB ALA 15 1HB ALA 15 -6.028 5.488 -3.828
131 2HB ALA 15 2HB ALA 15 -7.255 5.397 -2.566
132 3HB ALA 15 3HB ALA 15 -6.345 6.890 -2.806
133 H GLY 16 H GLY 16 -6.815 5.797 -6.506
134 1HA GLY 16 2HA GLY 16 -6.767 7.596 -8.331
135 2HA GLY 16 1HA GLY 16 -5.872 8.518 -7.142
136 H PHE 17 H PHE 17 -5.282 5.148 -7.153
137 HA PHE 17 HA PHE 17 -2.609 5.692 -8.211
138 1HB PHE 17 2HB PHE 17 -3.715 3.526 -6.440
139 2HB PHE 17 1HB PHE 17 -2.124 3.435 -7.170
140 HD1 PHE 17 HD1 PHE 17 -4.182 5.753 -5.101
141 HD2 PHE 17 HD2 PHE 17 -0.316 4.196 -5.971
142 HE1 PHE 17 HE1 PHE 17 -3.250 7.033 -3.223
143 HE2 PHE 17 HE2 PHE 17 0.623 5.482 -4.092
144 HZ PHE 17 HZ PHE 17 -0.849 6.901 -2.715
145 H THR 18 H THR 18 -1.574 4.115 -9.576
146 HA THR 18 HA THR 18 -3.396 2.343 -11.054
147 HB THR 18 HB THR 18 -1.991 2.976 -13.127
148 HG1 THR 18 HG1 THR 18 -1.619 5.360 -11.601
149 1HG2 THR 18 1HG2 THR 18 -3.943 4.971 -11.975
150 2HG2 THR 18 2HG2 THR 18 -4.362 3.524 -12.891
151 3HG2 THR 18 3HG2 THR 18 -3.486 4.840 -13.673
152 H VAL 19 H VAL 19 -2.462 0.426 -11.788
153 HA VAL 19 HA VAL 19 -0.048 -0.351 -10.404
154 HB VAL 19 HB VAL 19 -2.031 -1.877 -10.676
155 1HG1 VAL 19 1HG1 VAL 19 -2.512 -1.345 -13.029
156 2HG1 VAL 19 2HG1 VAL 19 -2.352 -3.077 -12.741
157 3HG1 VAL 19 3HG1 VAL 19 -1.032 -2.185 -13.500
158 1HG2 VAL 19 1HG2 VAL 19 0.609 -2.904 -11.703
159 2HG2 VAL 19 2HG2 VAL 19 -0.710 -3.906 -11.096
160 3HG2 VAL 19 3HG2 VAL 19 0.113 -2.782 -10.015
161 H ASP 20 H ASP 20 1.965 -0.647 -11.257
162 HA ASP 20 HA ASP 20 2.255 -0.130 -14.148
163 1HB ASP 20 2HB ASP 20 4.560 0.562 -13.704
164 2HB ASP 20 1HB ASP 20 3.410 1.548 -12.808
165 H VAL 21 H VAL 21 3.106 -2.276 -11.519
166 HA VAL 21 HA VAL 21 4.006 -4.178 -13.531
167 HB VAL 21 HB VAL 21 6.026 -3.071 -12.738
168 1HG1 VAL 21 1HG1 VAL 21 5.260 -4.052 -9.987
169 2HG1 VAL 21 2HG1 VAL 21 5.374 -2.374 -10.522
170 3HG1 VAL 21 3HG1 VAL 21 6.826 -3.368 -10.427
171 1HG2 VAL 21 1HG2 VAL 21 7.281 -5.070 -12.072
172 2HG2 VAL 21 2HG2 VAL 21 6.194 -5.353 -13.428
173 3HG2 VAL 21 3HG2 VAL 21 5.756 -5.917 -11.815
174 H VAL 22 H VAL 22 2.360 -5.576 -13.304
175 HA VAL 22 HA VAL 22 1.654 -6.518 -10.641
176 HB VAL 22 HB VAL 22 -0.224 -6.083 -12.066
177 1HG1 VAL 22 1HG1 VAL 22 1.000 -8.019 -14.027
178 2HG1 VAL 22 2HG1 VAL 22 0.781 -6.282 -14.247
179 3HG1 VAL 22 3HG1 VAL 22 -0.625 -7.343 -14.151
180 1HG2 VAL 22 1HG2 VAL 22 -1.363 -8.256 -12.030
181 2HG2 VAL 22 2HG2 VAL 22 -0.465 -7.953 -10.544
182 3HG2 VAL 22 3HG2 VAL 22 0.187 -9.052 -11.758
183 H THR 23 H THR 23 3.151 -7.839 -9.854
184 HA THR 23 HA THR 23 4.166 -10.009 -11.548
185 HB THR 23 HB THR 23 5.884 -10.313 -9.738
186 HG1 THR 23 HG1 THR 23 4.461 -8.134 -8.685
187 1HG2 THR 23 1HG2 THR 23 7.215 -8.349 -10.365
188 2HG2 THR 23 2HG2 THR 23 5.768 -7.585 -11.021
189 3HG2 THR 23 3HG2 THR 23 6.403 -9.052 -11.764
190 H ASN 24 H ASN 24 4.609 -12.094 -10.236
191 HA ASN 24 HA ASN 24 2.000 -13.002 -9.531
192 1HB ASN 24 2HB ASN 24 2.913 -15.188 -9.429
193 2HB ASN 24 1HB ASN 24 3.754 -14.367 -10.737
194 1HD2 ASN 24 1HD2 ASN 24 4.407 -16.647 -8.916
195 2HD2 ASN 24 2HD2 ASN 24 5.971 -16.271 -8.269
196 H LYS 25 H LYS 25 4.437 -11.581 -7.662
197 HA LYS 25 HA LYS 25 3.242 -12.714 -5.218
198 1HB LYS 25 2HB LYS 25 6.127 -11.944 -5.689
199 2HB LYS 25 1HB LYS 25 5.459 -12.367 -4.123
200 1HG LYS 25 2HG LYS 25 4.964 -14.610 -4.914
201 2HG LYS 25 1HG LYS 25 5.580 -14.191 -6.514
202 1HD LYS 25 2HD LYS 25 7.185 -14.184 -3.955
203 2HD LYS 25 1HD LYS 25 7.238 -15.436 -5.198
204 1HE LYS 25 2HE LYS 25 8.050 -13.802 -6.817
205 2HE LYS 25 1HE LYS 25 7.965 -12.535 -5.596
206 1HZ LYS 25 1HZ LYS 25 9.716 -14.938 -5.472
207 2HZ LYS 25 2HZ LYS 25 9.644 -13.705 -4.309
208 3HZ LYS 25 3HZ LYS 25 10.215 -13.367 -5.866
209 H THR 26 H THR 26 3.318 -10.021 -7.034
210 HA THR 26 HA THR 26 3.067 -8.195 -4.831
211 HB THR 26 HB THR 26 5.521 -8.122 -6.590
212 HG1 THR 26 HG1 THR 26 5.025 -9.019 -4.090
213 1HG2 THR 26 1HG2 THR 26 4.563 -6.039 -4.642
214 2HG2 THR 26 2HG2 THR 26 4.654 -5.876 -6.395
215 3HG2 THR 26 3HG2 THR 26 6.132 -6.054 -5.454
216 H TYR 27 H TYR 27 1.869 -6.427 -5.399
217 HA TYR 27 HA TYR 27 1.506 -5.866 -8.268
218 1HB TYR 27 2HB TYR 27 -0.096 -4.870 -5.907
219 2HB TYR 27 1HB TYR 27 -0.427 -4.504 -7.589
220 HD1 TYR 27 HD1 TYR 27 -1.364 -6.217 -9.070
221 HD2 TYR 27 HD2 TYR 27 -0.736 -6.965 -4.930
222 HE1 TYR 27 HE1 TYR 27 -2.893 -8.138 -9.191
223 HE2 TYR 27 HE2 TYR 27 -2.258 -8.892 -5.042
224 HH TYR 27 HH TYR 27 -3.505 -10.089 -8.074
225 H GLY 28 H GLY 28 2.964 -4.388 -8.964
226 1HA GLY 28 2HA GLY 28 3.952 -2.280 -7.267
227 2HA GLY 28 1HA GLY 28 4.234 -2.455 -8.997
228 H TYR 29 H TYR 29 2.749 -0.612 -6.705
229 HA TYR 29 HA TYR 29 0.639 0.288 -8.554
230 1HB TYR 29 2HB TYR 29 0.497 -0.800 -5.884
231 2HB TYR 29 1HB TYR 29 -0.180 0.812 -5.911
232 HD1 TYR 29 HD1 TYR 29 -2.222 1.275 -7.179
233 HD2 TYR 29 HD2 TYR 29 -0.485 -2.607 -7.152
234 HE1 TYR 29 HE1 TYR 29 -4.284 0.347 -8.154
235 HE2 TYR 29 HE2 TYR 29 -2.536 -3.542 -8.119
236 HH TYR 29 HH TYR 29 -5.038 -1.555 -9.395
237 H ARG 30 H ARG 30 0.872 2.374 -9.132
238 HA ARG 30 HA ARG 30 2.591 4.028 -7.403
239 1HB ARG 30 2HB ARG 30 3.736 4.869 -9.300
240 2HB ARG 30 1HB ARG 30 3.699 3.118 -9.464
241 1HG ARG 30 2HG ARG 30 1.762 3.359 -10.999
242 2HG ARG 30 1HG ARG 30 1.970 5.109 -10.914
243 1HD ARG 30 2HD ARG 30 4.340 4.747 -11.683
244 2HD ARG 30 1HD ARG 30 3.903 3.071 -11.998
245 HE ARG 30 HE ARG 30 3.385 5.291 -13.657
246 1HH1 ARG 30 1HH1 ARG 30 1.804 2.373 -12.534
247 2HH1 ARG 30 2HH1 ARG 30 0.883 2.165 -13.986
248 1HH2 ARG 30 1HH2 ARG 30 2.212 5.016 -15.564
249 2HH2 ARG 30 2HH2 ARG 30 1.124 3.669 -15.732
250 H ARG 31 H ARG 31 2.320 6.237 -7.427
251 HA ARG 31 HA ARG 31 0.534 7.526 -9.280
252 1HB ARG 31 2HB ARG 31 -0.936 6.786 -7.311
253 2HB ARG 31 1HB ARG 31 -0.020 7.929 -6.338
254 1HG ARG 31 2HG ARG 31 -0.695 9.555 -8.333
255 2HG ARG 31 1HG ARG 31 -2.038 8.417 -8.443
256 1HD ARG 31 2HD ARG 31 -2.701 10.194 -6.995
257 2HD ARG 31 1HD ARG 31 -2.429 8.765 -5.998
258 HE ARG 31 HE ARG 31 -0.086 10.407 -6.211
259 1HH1 ARG 31 1HH1 ARG 31 -3.100 10.050 -4.447
260 2HH1 ARG 31 2HH1 ARG 31 -2.552 10.994 -3.098
261 1HH2 ARG 31 1HH2 ARG 31 0.611 11.649 -4.479
262 2HH2 ARG 31 2HH2 ARG 31 -0.450 11.916 -3.118
263 H GLY 32 H GLY 32 1.901 9.068 -9.949
264 1HA GLY 32 2HA GLY 32 3.343 10.868 -9.870
265 2HA GLY 32 1HA GLY 32 3.027 10.975 -8.141
266 H GLU 33 H GLU 33 4.818 10.751 -6.962
267 HA GLU 33 HA GLU 33 6.981 9.045 -7.989
268 1HB GLU 33 2HB GLU 33 7.476 11.377 -7.142
269 2HB GLU 33 1HB GLU 33 7.036 10.814 -5.535
270 1HG GLU 33 2HG GLU 33 8.810 8.962 -6.012
271 2HG GLU 33 1HG GLU 33 9.403 10.113 -7.206
272 H ASN 34 H ASN 34 4.274 8.671 -6.231
273 HA ASN 34 HA ASN 34 5.447 7.062 -4.108
274 1HB ASN 34 2HB ASN 34 2.579 7.789 -4.715
275 2HB ASN 34 1HB ASN 34 3.082 6.791 -3.353
276 1HD2 ASN 34 1HD2 ASN 34 2.877 9.984 -4.645
277 2HD2 ASN 34 2HD2 ASN 34 3.410 10.809 -3.224
278 H TYR 35 H TYR 35 6.166 5.199 -4.840
279 HA TYR 35 HA TYR 35 4.380 3.527 -6.477
280 1HB TYR 35 2HB TYR 35 7.392 3.434 -6.172
281 2HB TYR 35 1HB TYR 35 6.452 2.235 -7.045
282 HD1 TYR 35 HD1 TYR 35 7.104 5.920 -7.007
283 HD2 TYR 35 HD2 TYR 35 6.179 2.470 -9.319
284 HE1 TYR 35 HE1 TYR 35 7.348 7.240 -9.067
285 HE2 TYR 35 HE2 TYR 35 6.415 3.784 -11.383
286 HH TYR 35 HH TYR 35 7.763 6.943 -11.413
287 H VAL 36 H VAL 36 3.225 2.425 -4.996
288 HA VAL 36 HA VAL 36 4.628 1.250 -2.708
289 HB VAL 36 HB VAL 36 2.479 0.884 -1.693
290 1HG1 VAL 36 1HG1 VAL 36 3.385 3.106 -1.422
291 2HG1 VAL 36 2HG1 VAL 36 1.627 3.188 -1.533
292 3HG1 VAL 36 3HG1 VAL 36 2.620 3.628 -2.923
293 1HG2 VAL 36 1HG2 VAL 36 1.225 1.931 -4.229
294 2HG2 VAL 36 2HG2 VAL 36 0.369 1.481 -2.755
295 3HG2 VAL 36 3HG2 VAL 36 1.212 0.250 -3.694
296 H TYR 37 H TYR 37 4.523 -0.957 -2.295
297 HA TYR 37 HA TYR 37 3.729 -2.584 -4.624
298 1HB TYR 37 2HB TYR 37 5.947 -2.962 -2.611
299 2HB TYR 37 1HB TYR 37 5.384 -4.266 -3.653
300 HD1 TYR 37 HD1 TYR 37 7.576 -1.468 -3.386
301 HD2 TYR 37 HD2 TYR 37 5.424 -3.837 -6.185
302 HE1 TYR 37 HE1 TYR 37 9.061 -0.683 -5.184
303 HE2 TYR 37 HE2 TYR 37 6.900 -3.062 -7.991
304 HH TYR 37 HH TYR 37 8.374 -1.172 -8.486
305 H VAL 38 H VAL 38 1.930 -3.663 -4.281
306 HA VAL 38 HA VAL 38 1.040 -4.242 -1.575
307 HB VAL 38 HB VAL 38 -0.316 -4.985 -4.169
308 1HG1 VAL 38 1HG1 VAL 38 -1.103 -6.223 -2.219
309 2HG1 VAL 38 2HG1 VAL 38 -2.339 -5.116 -2.824
310 3HG1 VAL 38 3HG1 VAL 38 -1.414 -4.703 -1.380
311 1HG2 VAL 38 1HG2 VAL 38 -0.670 -2.504 -2.493
312 2HG2 VAL 38 2HG2 VAL 38 -1.694 -2.973 -3.851
313 3HG2 VAL 38 3HG2 VAL 38 0.005 -2.581 -4.122
314 H ASN 39 H ASN 39 1.553 -6.065 -0.577
315 HA ASN 39 HA ASN 39 2.910 -8.195 -1.843
316 1HB ASN 39 2HB ASN 39 1.516 -8.133 0.839
317 2HB ASN 39 1HB ASN 39 2.515 -9.461 0.273
318 1HD2 ASN 39 1HD2 ASN 39 4.356 -7.547 -1.064
319 2HD2 ASN 39 2HD2 ASN 39 5.323 -6.897 0.215
320 H ARG 40 H ARG 40 2.050 -9.581 -3.226
321 HA ARG 40 HA ARG 40 -0.799 -9.999 -3.364
322 1HB ARG 40 2HB ARG 40 0.660 -9.833 -5.369
323 2HB ARG 40 1HB ARG 40 1.440 -11.334 -4.897
324 1HG ARG 40 2HG ARG 40 -0.553 -12.574 -5.267
325 2HG ARG 40 1HG ARG 40 -1.495 -11.096 -5.494
326 1HD ARG 40 2HD ARG 40 -0.214 -10.561 -7.481
327 2HD ARG 40 1HD ARG 40 0.785 -11.995 -7.246
328 HE ARG 40 HE ARG 40 -1.682 -13.042 -7.385
329 1HH1 ARG 40 1HH1 ARG 40 0.034 -10.794 -9.456
330 2HH1 ARG 40 2HH1 ARG 40 -0.877 -11.215 -10.880
331 1HH2 ARG 40 1HH2 ARG 40 -2.867 -13.606 -9.256
332 2HH2 ARG 40 2HH2 ARG 40 -2.515 -12.809 -10.763
333 H GLU 41 H GLU 41 1.874 -11.438 -1.854
334 HA GLU 41 HA GLU 41 0.534 -13.979 -1.375
335 1HB GLU 41 2HB GLU 41 3.215 -12.971 -0.390
336 2HB GLU 41 1HB GLU 41 2.604 -14.608 -0.215
337 1HG GLU 41 2HG GLU 41 3.226 -13.240 -2.825
338 2HG GLU 41 1HG GLU 41 4.247 -14.421 -2.010
339 H ALA 42 H ALA 42 -0.403 -11.314 -0.340
340 HA ALA 42 HA ALA 42 0.049 -11.285 2.492
341 1HB ALA 42 1HB ALA 42 -1.657 -9.544 2.537
342 2HB ALA 42 2HB ALA 42 -2.084 -9.898 0.863
343 3HB ALA 42 3HB ALA 42 -0.492 -9.244 1.247
344 H ARG 43 H ARG 43 -0.494 -13.460 3.031
345 HA ARG 43 HA ARG 43 -3.227 -14.353 2.712
346 1HB ARG 43 2HB ARG 43 -0.861 -15.543 4.163
347 2HB ARG 43 1HB ARG 43 -2.416 -16.344 3.962
348 1HG ARG 43 2HG ARG 43 -2.134 -16.468 1.597
349 2HG ARG 43 1HG ARG 43 -0.702 -15.438 1.661
350 1HD ARG 43 2HD ARG 43 -0.949 -18.166 2.914
351 2HD ARG 43 1HD ARG 43 -0.145 -17.817 1.384
352 HE ARG 43 HE ARG 43 0.977 -16.183 3.373
353 1HH1 ARG 43 1HH1 ARG 43 0.777 -19.565 2.506
354 2HH1 ARG 43 2HH1 ARG 43 2.332 -19.970 3.164
355 1HH2 ARG 43 1HH2 ARG 43 3.033 -16.702 4.261
356 2HH2 ARG 43 2HH2 ARG 43 3.605 -18.344 4.194
357 H MET 44 H MET 44 -1.238 -12.878 5.124
358 HA MET 44 HA MET 44 -3.189 -13.367 7.232
359 1HB MET 44 2HB MET 44 -1.475 -12.202 8.669
360 2HB MET 44 1HB MET 44 -0.944 -13.705 7.924
361 1HG MET 44 2HG MET 44 0.297 -12.517 6.262
362 2HG MET 44 1HG MET 44 -0.346 -10.977 6.819
363 1HE MET 44 1HE MET 44 1.036 -14.110 8.803
364 2HE MET 44 2HE MET 44 2.701 -13.595 9.073
365 3HE MET 44 3HE MET 44 2.122 -13.896 7.433
366 H GLY 45 H GLY 45 -2.324 -10.933 4.990
367 1HA GLY 45 2HA GLY 45 -3.447 -8.979 4.498
368 2HA GLY 45 1HA GLY 45 -4.465 -9.248 5.899
369 H ARG 46 H ARG 46 -1.732 -9.498 7.408
370 HA ARG 46 HA ARG 46 -1.655 -6.757 8.261
371 1HB ARG 46 2HB ARG 46 -0.035 -9.180 9.056
372 2HB ARG 46 1HB ARG 46 0.093 -7.609 9.823
373 1HG ARG 46 2HG ARG 46 -2.253 -7.749 10.478
374 2HG ARG 46 1HG ARG 46 -2.352 -9.351 9.747
375 1HD ARG 46 2HD ARG 46 -2.026 -9.529 12.150
376 2HD ARG 46 1HD ARG 46 -0.617 -10.144 11.285
377 HE ARG 46 HE ARG 46 -0.539 -7.372 12.209
378 1HH1 ARG 46 1HH1 ARG 46 0.543 -10.688 12.567
379 2HH1 ARG 46 2HH1 ARG 46 1.812 -10.279 13.691
380 1HH2 ARG 46 1HH2 ARG 46 1.146 -6.826 13.624
381 2HH2 ARG 46 2HH2 ARG 46 2.184 -8.074 14.259
382 H THR 47 H THR 47 -0.370 -8.244 5.687
383 HA THR 47 HA THR 47 1.911 -6.475 5.513
384 HB THR 47 HB THR 47 3.446 -8.239 4.818
385 HG1 THR 47 HG1 THR 47 1.619 -9.626 4.033
386 1HG2 THR 47 1HG2 THR 47 2.066 -8.951 7.411
387 2HG2 THR 47 2HG2 THR 47 3.393 -7.804 7.208
388 3HG2 THR 47 3HG2 THR 47 3.661 -9.524 6.917
389 H ALA 48 H ALA 48 0.969 -5.380 3.895
390 HA ALA 48 HA ALA 48 0.704 -6.633 1.320
391 1HB ALA 48 1HB ALA 48 -1.765 -5.525 2.647
392 2HB ALA 48 2HB ALA 48 -1.431 -7.236 2.384
393 3HB ALA 48 3HB ALA 48 -1.657 -6.158 1.005
394 H LEU 49 H LEU 49 -0.048 -3.741 3.265
395 HA LEU 49 HA LEU 49 0.354 -2.102 0.901
396 1HB LEU 49 2HB LEU 49 -1.435 -1.476 2.444
397 2HB LEU 49 1HB LEU 49 -0.269 -1.294 3.742
398 HG LEU 49 HG LEU 49 0.801 0.557 2.474
399 1HD1 LEU 49 1HD1 LEU 49 0.122 -0.108 0.231
400 2HD1 LEU 49 2HD1 LEU 49 -0.383 1.544 0.586
401 3HD1 LEU 49 3HD1 LEU 49 -1.561 0.232 0.630
402 1HD2 LEU 49 1HD2 LEU 49 -0.946 2.200 2.911
403 2HD2 LEU 49 2HD2 LEU 49 -0.845 1.015 4.213
404 3HD2 LEU 49 3HD2 LEU 49 -2.141 0.907 3.023
405 H ILE 50 H ILE 50 2.558 -2.575 0.488
406 HA ILE 50 HA ILE 50 4.483 -1.526 2.426
407 HB ILE 50 HB ILE 50 5.232 -2.522 -0.306
408 1HG1 ILE 50 2HG1 ILE 50 3.823 -4.299 0.642
409 2HG1 ILE 50 1HG1 ILE 50 5.508 -4.794 0.594
410 1HG2 ILE 50 1HG2 ILE 50 7.302 -3.140 0.900
411 2HG2 ILE 50 2HG2 ILE 50 6.610 -2.448 2.371
412 3HG2 ILE 50 3HG2 ILE 50 6.930 -1.417 0.977
413 1HD1 ILE 50 1HD1 ILE 50 4.477 -5.514 2.640
414 2HD1 ILE 50 2HD1 ILE 50 3.992 -3.859 3.013
415 3HD1 ILE 50 3HD1 ILE 50 5.702 -4.291 2.983
416 H ILE 51 H ILE 51 4.381 0.666 2.383
417 HA ILE 51 HA ILE 51 3.514 2.036 0.054
418 HB ILE 51 HB ILE 51 3.927 4.121 1.406
419 1HG1 ILE 51 2HG1 ILE 51 4.435 2.177 3.668
420 2HG1 ILE 51 1HG1 ILE 51 5.713 3.086 2.865
421 1HG2 ILE 51 1HG2 ILE 51 2.053 3.665 2.941
422 2HG2 ILE 51 2HG2 ILE 51 2.204 1.947 2.575
423 3HG2 ILE 51 3HG2 ILE 51 1.753 3.082 1.303
424 1HD1 ILE 51 1HD1 ILE 51 4.661 5.175 3.567
425 2HD1 ILE 51 2HD1 ILE 51 5.053 4.145 4.944
426 3HD1 ILE 51 3HD1 ILE 51 3.387 4.260 4.375
427 H HIS 52 H HIS 52 6.439 2.817 1.922
428 HA HIS 52 HA HIS 52 8.394 2.813 -0.006
429 1HB HIS 52 2HB HIS 52 6.845 4.271 -1.321
430 2HB HIS 52 1HB HIS 52 6.819 5.423 0.003
431 HD1 HIS 52 HD1 HIS 52 9.051 6.782 0.408
432 HD2 HIS 52 HD2 HIS 52 8.935 4.561 -3.102
433 HE1 HIS 52 HE1 HIS 52 10.863 7.740 -1.041
434 HE2 HIS 52 HE2 HIS 52 10.594 6.549 -3.258
435 HA PRO 53 HA PRO 53 10.360 4.532 3.713
436 1HB PRO 53 2HB PRO 53 12.497 5.552 1.978
437 2HB PRO 53 1HB PRO 53 12.590 4.389 3.302
438 1HG PRO 53 2HG PRO 53 12.862 3.698 0.693
439 2HG PRO 53 1HG PRO 53 12.243 2.600 1.925
440 1HD PRO 53 2HD PRO 53 10.788 4.088 -0.197
441 2HD PRO 53 1HD PRO 53 10.421 2.513 0.531
442 H ARG 54 H ARG 54 11.861 6.878 3.754
443 HA ARG 54 HA ARG 54 11.738 9.158 3.700
444 1HB ARG 54 2HB ARG 54 11.491 9.028 1.271
445 2HB ARG 54 1HB ARG 54 9.769 8.719 1.439
446 1HG ARG 54 2HG ARG 54 9.883 11.021 2.755
447 2HG ARG 54 1HG ARG 54 11.285 11.241 1.707
448 1HD ARG 54 2HD ARG 54 8.530 10.500 0.735
449 2HD ARG 54 1HD ARG 54 9.149 12.140 0.792
450 HE ARG 54 HE ARG 54 9.668 10.200 -1.204
451 1HH1 ARG 54 1HH1 ARG 54 11.258 12.798 0.532
452 2HH1 ARG 54 2HH1 ARG 54 12.190 13.308 -0.843
453 1HH2 ARG 54 1HH2 ARG 54 10.842 10.909 -3.021
454 2HH2 ARG 54 2HH2 ARG 54 11.955 12.240 -2.851
455 H LEU 55 H LEU 55 8.537 7.704 3.238
456 HA LEU 55 HA LEU 55 7.221 9.755 4.790
457 1HB LEU 55 2HB LEU 55 6.327 7.354 3.232
458 2HB LEU 55 1HB LEU 55 5.222 8.177 4.315
459 HG LEU 55 HG LEU 55 6.656 9.584 2.067
460 1HD1 LEU 55 1HD1 LEU 55 3.878 8.401 2.100
461 2HD1 LEU 55 2HD1 LEU 55 5.243 7.803 1.157
462 3HD1 LEU 55 3HD1 LEU 55 4.567 9.396 0.815
463 1HD2 LEU 55 1HD2 LEU 55 5.875 11.030 3.841
464 2HD2 LEU 55 2HD2 LEU 55 4.282 10.275 3.794
465 3HD2 LEU 55 3HD2 LEU 55 4.847 11.232 2.419
466 H LYS 56 H LYS 56 9.044 7.361 5.859
467 HA LYS 56 HA LYS 56 7.378 5.716 7.405
468 1HB LYS 56 2HB LYS 56 9.702 5.145 6.914
469 2HB LYS 56 1HB LYS 56 10.261 6.499 7.886
470 1HG LYS 56 2HG LYS 56 9.358 5.473 9.887
471 2HG LYS 56 1HG LYS 56 8.708 4.140 8.931
472 1HD LYS 56 2HD LYS 56 10.825 3.566 10.073
473 2HD LYS 56 1HD LYS 56 10.936 3.436 8.317
474 1HE LYS 56 2HE LYS 56 12.926 4.499 9.204
475 2HE LYS 56 1HE LYS 56 12.003 5.647 8.236
476 1HZ LYS 56 1HZ LYS 56 11.017 6.411 10.417
477 2HZ LYS 56 2HZ LYS 56 12.643 6.799 10.152
478 3HZ LYS 56 3HZ LYS 56 12.234 5.517 11.190
479 H ASP 57 H ASP 57 9.121 8.689 8.262
480 HA ASP 57 HA ASP 57 8.242 8.762 10.941
481 1HB ASP 57 2HB ASP 57 8.807 11.271 10.746
482 2HB ASP 57 1HB ASP 57 10.104 10.103 10.536
483 H ARG 58 H ARG 58 6.906 10.268 8.014
484 HA ARG 58 HA ARG 58 4.790 11.601 9.336
485 1HB ARG 58 2HB ARG 58 5.435 12.254 7.094
486 2HB ARG 58 1HB ARG 58 5.013 10.664 6.469
487 1HG ARG 58 2HG ARG 58 3.266 12.204 5.907
488 2HG ARG 58 1HG ARG 58 2.657 11.087 7.131
489 1HD ARG 58 2HD ARG 58 3.417 12.910 8.805
490 2HD ARG 58 1HD ARG 58 3.397 13.975 7.401
491 HE ARG 58 HE ARG 58 1.165 13.072 8.879
492 1HH1 ARG 58 1HH1 ARG 58 2.134 13.768 5.586
493 2HH1 ARG 58 2HH1 ARG 58 0.527 14.145 5.050
494 1HH2 ARG 58 1HH2 ARG 58 -0.948 13.593 8.200
495 2HH2 ARG 58 2HH2 ARG 58 -1.230 14.064 6.545
496 H SER 59 H SER 59 4.923 8.496 7.633
497 HA SER 59 HA SER 59 2.224 7.824 7.900
498 1HB SER 59 2HB SER 59 3.524 6.646 6.299
499 2HB SER 59 1HB SER 59 4.717 6.164 7.497
500 HG SER 59 HG SER 59 2.502 5.159 8.390
501 H SER 60 H SER 60 4.892 7.525 10.125
502 HA SER 60 HA SER 60 3.832 5.660 11.917
503 1HB SER 60 2HB SER 60 6.171 6.450 11.962
504 2HB SER 60 1HB SER 60 5.623 8.030 12.514
505 HG SER 60 HG SER 60 5.675 5.566 13.878
506 H SER 61 H SER 61 3.055 9.017 11.401
507 HA SER 61 HA SER 61 1.706 9.321 13.944
508 1HB SER 61 2HB SER 61 1.741 11.155 11.539
509 2HB SER 61 1HB SER 61 1.201 11.573 13.166
510 HG SER 61 HG SER 61 3.528 10.718 13.645
511 H LEU 62 H LEU 62 0.921 7.749 11.176
512 HA LEU 62 HA LEU 62 -1.954 8.081 11.671
513 1HB LEU 62 2HB LEU 62 -0.607 8.129 8.970
514 2HB LEU 62 1HB LEU 62 -2.331 7.916 9.193
515 HG LEU 62 HG LEU 62 -0.821 10.356 10.124
516 1HD1 LEU 62 1HD1 LEU 62 -2.456 9.970 7.621
517 2HD1 LEU 62 2HD1 LEU 62 -0.701 10.131 7.687
518 3HD1 LEU 62 3HD1 LEU 62 -1.728 11.480 8.174
519 1HD2 LEU 62 1HD2 LEU 62 -3.075 11.333 10.239
520 2HD2 LEU 62 2HD2 LEU 62 -2.902 9.948 11.316
521 3HD2 LEU 62 3HD2 LEU 62 -3.761 9.772 9.788
522 H ALA 63 H ALA 63 -0.323 6.315 9.117
523 HA ALA 63 HA ALA 63 -1.532 3.844 10.057
524 1HB ALA 63 1HB ALA 63 -0.819 2.936 7.893
525 2HB ALA 63 2HB ALA 63 -0.009 4.457 7.525
526 3HB ALA 63 3HB ALA 63 -1.764 4.411 7.698
527 H ASP 64 H ASP 64 -0.330 3.186 11.770
528 HA ASP 64 HA ASP 64 2.482 3.320 11.923
529 1HB ASP 64 2HB ASP 64 2.266 1.849 13.875
530 2HB ASP 64 1HB ASP 64 1.064 3.135 13.924
531 HA PRO 65 HA PRO 65 3.712 -0.078 9.411
532 1HB PRO 65 2HB PRO 65 6.038 -0.400 11.174
533 2HB PRO 65 1HB PRO 65 5.977 0.087 9.477
534 1HG PRO 65 2HG PRO 65 6.612 1.822 11.431
535 2HG PRO 65 1HG PRO 65 5.709 2.317 9.989
536 1HD PRO 65 2HD PRO 65 4.696 1.719 12.745
537 2HD PRO 65 1HD PRO 65 4.236 3.031 11.636
538 H ALA 66 H ALA 66 3.387 -2.216 9.392
539 HA ALA 66 HA ALA 66 2.409 -3.520 11.738
540 1HB ALA 66 1HB ALA 66 1.490 -3.993 9.524
541 2HB ALA 66 2HB ALA 66 2.105 -5.460 10.287
542 3HB ALA 66 3HB ALA 66 3.040 -4.665 9.018
543 H SER 67 H SER 67 5.450 -3.330 10.130
544 HA SER 67 HA SER 67 6.675 -4.858 12.281
545 1HB SER 67 2HB SER 67 6.301 -6.459 10.406
546 2HB SER 67 1HB SER 67 7.262 -5.426 9.359
547 HG SER 67 HG SER 67 8.113 -6.819 11.686
548 H ASP 68 H ASP 68 9.261 -4.789 11.476
549 HA ASP 68 HA ASP 68 9.974 -2.059 11.795
550 1HB ASP 68 2HB ASP 68 11.642 -4.470 11.031
551 2HB ASP 68 1HB ASP 68 12.293 -2.902 11.467
552 H ILE 69 H ILE 69 11.244 -4.157 9.295
553 HA ILE 69 HA ILE 69 10.170 -2.481 7.164
554 HB ILE 69 HB ILE 69 12.372 -2.556 5.962
555 1HG1 ILE 69 2HG1 ILE 69 13.463 -3.307 8.683
556 2HG1 ILE 69 1HG1 ILE 69 13.393 -4.372 7.285
557 1HG2 ILE 69 1HG2 ILE 69 12.321 -1.005 8.545
558 2HG2 ILE 69 2HG2 ILE 69 11.635 -0.500 7.001
559 3HG2 ILE 69 3HG2 ILE 69 13.383 -0.671 7.178
560 1HD1 ILE 69 1HD1 ILE 69 14.991 -1.831 7.485
561 2HD1 ILE 69 2HD1 ILE 69 14.928 -2.908 6.088
562 3HD1 ILE 69 3HD1 ILE 69 15.622 -3.472 7.609
563 H LYS 70 H LYS 70 10.474 -3.670 5.016
564 HA LYS 70 HA LYS 70 10.815 -6.553 5.449
565 1HB LYS 70 2HB LYS 70 8.386 -6.020 5.393
566 2HB LYS 70 1HB LYS 70 8.600 -5.343 3.782
567 1HG LYS 70 2HG LYS 70 9.121 -7.445 2.861
568 2HG LYS 70 1HG LYS 70 9.318 -8.175 4.455
569 1HD LYS 70 2HD LYS 70 6.893 -7.735 4.871
570 2HD LYS 70 1HD LYS 70 6.756 -7.217 3.187
571 1HE LYS 70 2HE LYS 70 6.085 -9.574 3.540
572 2HE LYS 70 1HE LYS 70 7.429 -9.398 2.415
573 1HZ LYS 70 1HZ LYS 70 7.698 -10.120 5.287
574 2HZ LYS 70 2HZ LYS 70 8.961 -10.012 4.165
575 3HZ LYS 70 3HZ LYS 70 7.780 -11.217 3.999
576 H THR 71 H THR 71 12.526 -7.103 4.314
577 HA THR 71 HA THR 71 13.088 -5.833 1.738
578 HB THR 71 HB THR 71 15.197 -7.260 1.886
579 HG1 THR 71 HG1 THR 71 13.947 -8.494 3.748
580 1HG2 THR 71 1HG2 THR 71 16.292 -5.795 3.504
581 2HG2 THR 71 2HG2 THR 71 14.721 -5.297 4.130
582 3HG2 THR 71 3HG2 THR 71 15.187 -4.877 2.482
583 H CYS 72 H CYS 72 12.801 -6.922 -0.226
584 HA CYS 72 HA CYS 72 12.631 -9.684 -0.523
585 1HB CYS 72 2HB CYS 72 10.716 -9.557 1.012
586 2HB CYS 72 1HB CYS 72 9.894 -8.471 -0.102
587 HG CYS 72 HG CYS 72 10.813 -11.288 -1.600
588 H ASP 73 H ASP 73 13.646 -9.062 -2.493
589 HA ASP 73 HA ASP 73 13.506 -9.483 -4.704
590 1HB ASP 73 2HB ASP 73 11.949 -11.184 -3.816
591 2HB ASP 73 1HB ASP 73 10.614 -10.081 -4.103
592 H HIS 74 H HIS 74 10.150 -8.299 -4.558
593 HA HIS 74 HA HIS 74 10.728 -6.955 -7.065
594 1HB HIS 74 2HB HIS 74 8.158 -7.593 -5.640
595 2HB HIS 74 1HB HIS 74 8.206 -6.594 -7.087
596 HD1 HIS 74 HD1 HIS 74 7.211 -9.749 -6.382
597 HD2 HIS 74 HD2 HIS 74 10.085 -8.332 -9.023
598 HE1 HIS 74 HE1 HIS 74 7.472 -11.547 -8.122
599 HE2 HIS 74 HE2 HIS 74 9.323 -10.733 -9.625
600 H TYR 75 H TYR 75 11.069 -5.870 -4.043
601 HA TYR 75 HA TYR 75 9.551 -3.413 -4.248
602 1HB TYR 75 2HB TYR 75 11.706 -4.146 -2.255
603 2HB TYR 75 1HB TYR 75 10.548 -2.833 -2.108
604 HD1 TYR 75 HD1 TYR 75 8.259 -4.780 -3.276
605 HD2 TYR 75 HD2 TYR 75 11.024 -4.940 -0.049
606 HE1 TYR 75 HE1 TYR 75 6.744 -6.290 -2.060
607 HE2 TYR 75 HE2 TYR 75 9.523 -6.450 1.174
608 HH TYR 75 HH TYR 75 6.999 -8.072 -0.234
609 H GLN 76 H GLN 76 11.355 -3.765 -6.425
610 HA GLN 76 HA GLN 76 13.929 -2.780 -5.864
611 1HB GLN 76 2HB GLN 76 14.248 -2.770 -8.278
612 2HB GLN 76 1HB GLN 76 13.590 -4.281 -7.684
613 1HG GLN 76 2HG GLN 76 11.349 -3.575 -8.408
614 2HG GLN 76 1HG GLN 76 12.040 -2.085 -9.044
615 1HE2 GLN 76 1HE2 GLN 76 14.459 -3.454 -9.992
616 2HE2 GLN 76 2HE2 GLN 76 13.975 -4.308 -11.418
617 H ASN 77 H ASN 77 10.991 -1.088 -6.734
618 HA ASN 77 HA ASN 77 12.218 1.276 -7.672
619 1HB ASN 77 2HB ASN 77 9.837 0.938 -8.001
620 2HB ASN 77 1HB ASN 77 9.566 0.901 -6.262
621 1HD2 ASN 77 1HD2 ASN 77 9.503 2.802 -5.120
622 2HD2 ASN 77 2HD2 ASN 77 9.484 4.365 -5.867
623 H PHE 78 H PHE 78 11.880 -0.082 -4.530
624 HA PHE 78 HA PHE 78 12.222 2.344 -3.061
625 1HB PHE 78 2HB PHE 78 12.542 -0.545 -2.219
626 2HB PHE 78 1HB PHE 78 12.597 0.829 -1.119
627 HD1 PHE 78 HD1 PHE 78 10.672 -1.612 -1.195
628 HD2 PHE 78 HD2 PHE 78 10.379 2.401 -2.577
629 HE1 PHE 78 HE1 PHE 78 8.225 -1.717 -0.970
630 HE2 PHE 78 HE2 PHE 78 7.934 2.305 -2.353
631 HZ PHE 78 HZ PHE 78 6.852 0.243 -1.550
632 HA PRO 79 HA PRO 79 16.431 3.372 -3.137
633 1HB PRO 79 2HB PRO 79 16.370 3.023 -0.166
634 2HB PRO 79 1HB PRO 79 16.968 4.382 -1.128
635 1HG PRO 79 2HG PRO 79 14.600 4.534 0.073
636 2HG PRO 79 1HG PRO 79 14.825 5.183 -1.555
637 1HD PRO 79 2HD PRO 79 13.453 2.697 -0.689
638 2HD PRO 79 1HD PRO 79 13.085 3.779 -2.046
639 H LEU 80 H LEU 80 15.579 0.447 -1.444
640 HA LEU 80 HA LEU 80 16.593 -1.569 -1.327
641 1HB LEU 80 2HB LEU 80 17.345 -1.248 -3.621
642 2HB LEU 80 1HB LEU 80 18.712 -0.300 -3.064
643 HG LEU 80 HG LEU 80 18.394 -3.213 -2.336
644 1HD1 LEU 80 1HD1 LEU 80 19.839 -2.039 -4.708
645 2HD1 LEU 80 2HD1 LEU 80 18.390 -3.040 -4.769
646 3HD1 LEU 80 3HD1 LEU 80 19.909 -3.721 -4.185
647 1HD2 LEU 80 1HD2 LEU 80 20.882 -3.024 -2.208
648 2HD2 LEU 80 2HD2 LEU 80 19.996 -2.127 -0.978
649 3HD2 LEU 80 3HD2 LEU 80 20.693 -1.279 -2.362
650 H TYR 81 H TYR 81 17.679 -2.556 0.232
651 HA TYR 81 HA TYR 81 19.025 -0.811 2.149
652 1HB TYR 81 2HB TYR 81 17.100 -2.289 2.803
653 2HB TYR 81 1HB TYR 81 18.108 -3.682 2.447
654 HD1 TYR 81 HD1 TYR 81 19.737 -4.454 4.012
655 HD2 TYR 81 HD2 TYR 81 17.664 -0.802 4.710
656 HE1 TYR 81 HE1 TYR 81 20.554 -4.440 6.332
657 HE2 TYR 81 HE2 TYR 81 18.481 -0.777 7.027
658 HH TYR 81 HH TYR 81 20.934 -2.874 8.147
659 H LEU 82 H LEU 82 21.169 -0.734 2.162
660 HA LEU 82 HA LEU 82 22.705 -2.639 0.655
661 1HB LEU 82 2HB LEU 82 23.459 -0.200 2.234
662 2HB LEU 82 1HB LEU 82 24.651 -1.234 1.471
663 HG LEU 82 HG LEU 82 22.520 0.403 0.103
664 1HD1 LEU 82 1HD1 LEU 82 25.528 0.475 0.001
665 2HD1 LEU 82 2HD1 LEU 82 24.497 1.620 0.858
666 3HD1 LEU 82 3HD1 LEU 82 24.434 1.523 -0.902
667 1HD2 LEU 82 1HD2 LEU 82 24.480 -1.560 -1.092
668 2HD2 LEU 82 2HD2 LEU 82 23.432 -0.468 -2.000
669 3HD2 LEU 82 3HD2 LEU 82 22.728 -1.753 -1.020
670 H GLY 83 H GLY 83 23.230 -4.499 1.431
671 1HA GLY 83 2HA GLY 83 24.144 -4.737 4.217
672 2HA GLY 83 1HA GLY 83 23.651 -6.083 3.195
673 H GLY 84 H GLY 84 25.716 -7.066 3.791
674 1HA GLY 84 2HA GLY 84 28.193 -5.850 3.117
675 2HA GLY 84 1HA GLY 84 27.937 -7.557 3.449
676 H GLU 85 H GLU 85 27.275 -8.933 1.714
677 HA GLU 85 HA GLU 85 28.369 -8.093 -0.855
678 1HB GLU 85 2HB GLU 85 29.035 -10.280 -0.041
679 2HB GLU 85 1HB GLU 85 27.360 -10.765 0.145
680 1HG GLU 85 2HG GLU 85 27.085 -10.507 -2.320
681 2HG GLU 85 1HG GLU 85 28.823 -10.234 -2.429
682 H THR 86 H THR 86 25.514 -9.870 0.199
683 HA THR 86 HA THR 86 24.062 -9.145 -2.170
684 HB THR 86 HB THR 86 22.166 -10.346 -0.840
685 HG1 THR 86 HG1 THR 86 23.086 -11.820 0.728
686 1HG2 THR 86 1HG2 THR 86 23.340 -11.285 -2.777
687 2HG2 THR 86 2HG2 THR 86 23.026 -12.517 -1.555
688 3HG2 THR 86 3HG2 THR 86 24.643 -11.833 -1.720
689 H HIS 87 H HIS 87 22.264 -7.848 -2.319
690 HA HIS 87 HA HIS 87 21.574 -6.254 0.059
691 1HB HIS 87 2HB HIS 87 21.583 -5.010 -2.678
692 2HB HIS 87 1HB HIS 87 21.601 -4.230 -1.104
693 HD1 HIS 87 HD1 HIS 87 24.078 -5.269 0.209
694 HD2 HIS 87 HD2 HIS 87 23.927 -4.427 -3.854
695 HE1 HIS 87 HE1 HIS 87 26.446 -4.790 -0.466
696 HE2 HIS 87 HE2 HIS 87 26.324 -4.172 -2.900
697 H GLU 88 H GLU 88 19.380 -5.532 0.100
698 HA GLU 88 HA GLU 88 17.619 -6.768 -1.883
699 1HB GLU 88 2HB GLU 88 17.892 -8.382 -0.026
700 2HB GLU 88 1HB GLU 88 17.310 -7.158 1.095
701 1HG GLU 88 2HG GLU 88 15.602 -8.814 0.449
702 2HG GLU 88 1HG GLU 88 15.150 -7.153 0.076
703 H HIS 89 H HIS 89 15.661 -5.767 -2.131
704 HA HIS 89 HA HIS 89 15.701 -3.002 -1.341
705 1HB HIS 89 2HB HIS 89 13.744 -4.548 -3.029
706 2HB HIS 89 1HB HIS 89 13.658 -2.814 -2.745
707 HD1 HIS 89 HD1 HIS 89 14.983 -1.348 -4.314
708 HD2 HIS 89 HD2 HIS 89 16.140 -5.342 -4.489
709 HE1 HIS 89 HE1 HIS 89 16.571 -1.515 -6.259
710 HE2 HIS 89 HE2 HIS 89 17.312 -3.930 -6.306
711 H TYR 90 H TYR 90 14.577 -2.065 0.234
712 HA TYR 90 HA TYR 90 12.875 -3.847 1.827
713 1HB TYR 90 2HB TYR 90 13.569 -2.684 3.788
714 2HB TYR 90 1HB TYR 90 15.026 -3.027 2.864
715 HD1 TYR 90 HD1 TYR 90 15.838 -1.070 1.284
716 HD2 TYR 90 HD2 TYR 90 13.220 -0.553 4.600
717 HE1 TYR 90 HE1 TYR 90 16.439 1.315 1.384
718 HE2 TYR 90 HE2 TYR 90 13.816 1.828 4.703
719 HH TYR 90 HH TYR 90 15.633 3.294 4.040
720 H GLY 91 H GLY 91 10.882 -3.262 2.367
721 1HA GLY 91 2HA GLY 91 10.051 -0.473 1.859
722 2HA GLY 91 1HA GLY 91 9.022 -1.844 1.445
723 H ILE 92 H ILE 92 7.736 -0.251 2.997
724 HA ILE 92 HA ILE 92 8.159 -1.217 5.742
725 HB ILE 92 HB ILE 92 6.636 1.276 4.995
726 1HG1 ILE 92 2HG1 ILE 92 9.548 0.992 5.790
727 2HG1 ILE 92 1HG1 ILE 92 8.946 1.524 4.225
728 1HG2 ILE 92 1HG2 ILE 92 7.834 0.298 7.591
729 2HG2 ILE 92 2HG2 ILE 92 6.118 0.347 7.185
730 3HG2 ILE 92 3HG2 ILE 92 7.025 1.848 7.363
731 1HD1 ILE 92 1HD1 ILE 92 7.965 3.493 5.293
732 2HD1 ILE 92 2HD1 ILE 92 9.711 3.398 5.525
733 3HD1 ILE 92 3HD1 ILE 92 8.621 2.961 6.841
734 HA PRO 93 HA PRO 93 4.393 -3.441 4.788
735 1HB PRO 93 2HB PRO 93 4.330 -4.894 7.074
736 2HB PRO 93 1HB PRO 93 5.421 -5.262 5.732
737 1HG PRO 93 2HG PRO 93 5.977 -3.807 8.287
738 2HG PRO 93 1HG PRO 93 6.968 -5.012 7.445
739 1HD PRO 93 2HD PRO 93 7.439 -2.339 7.296
740 2HD PRO 93 1HD PRO 93 7.829 -3.468 5.984
741 H HIS 94 H HIS 94 2.291 -3.093 5.189
742 HA HIS 94 HA HIS 94 1.431 -2.035 7.771
743 1HB HIS 94 2HB HIS 94 0.725 -0.725 5.130
744 2HB HIS 94 1HB HIS 94 -0.009 -0.332 6.679
745 HD1 HIS 94 HD1 HIS 94 3.231 -0.052 4.807
746 HD2 HIS 94 HD2 HIS 94 1.415 1.466 8.222
747 HE1 HIS 94 HE1 HIS 94 4.733 1.792 5.595
748 HE2 HIS 94 HE2 HIS 94 3.481 2.858 7.523
749 H GLY 95 H GLY 95 -1.008 -1.974 7.846
750 1HA GLY 95 2HA GLY 95 -2.600 -3.344 5.965
751 2HA GLY 95 1HA GLY 95 -2.153 -4.442 7.270
752 H PHE 96 H PHE 96 -4.821 -3.665 6.781
753 HA PHE 96 HA PHE 96 -5.412 -2.103 9.183
754 1HB PHE 96 2HB PHE 96 -6.542 -1.463 6.448
755 2HB PHE 96 1HB PHE 96 -7.024 -0.694 7.959
756 HD1 PHE 96 HD1 PHE 96 -4.617 -0.784 5.284
757 HD2 PHE 96 HD2 PHE 96 -5.389 0.720 9.185
758 HE1 PHE 96 HE1 PHE 96 -2.814 0.862 4.999
759 HE2 PHE 96 HE2 PHE 96 -3.592 2.371 8.906
760 HZ PHE 96 HZ PHE 96 -2.302 2.443 6.811
761 H SER 97 H SER 97 -7.584 -2.347 9.936
762 HA SER 97 HA SER 97 -8.621 -4.981 9.381
763 1HB SER 97 2HB SER 97 -10.228 -4.234 11.286
764 2HB SER 97 1HB SER 97 -8.530 -4.530 11.667
765 HG SER 97 HG SER 97 -9.424 -2.524 12.506
766 H SER 98 H SER 98 -9.370 -1.736 8.491
767 HA SER 98 HA SER 98 -11.892 -2.657 7.298
768 1HB SER 98 2HB SER 98 -11.473 0.023 8.648
769 2HB SER 98 1HB SER 98 -12.957 -0.527 7.870
770 HG SER 98 HG SER 98 -13.230 -0.925 10.012
771 H ARG 99 H ARG 99 -12.401 -1.795 5.298
772 HA ARG 99 HA ARG 99 -10.279 -1.026 3.628
773 1HB ARG 99 2HB ARG 99 -13.263 -0.765 3.235
774 2HB ARG 99 1HB ARG 99 -12.081 -0.444 1.976
775 1HG ARG 99 2HG ARG 99 -11.289 -2.780 2.188
776 2HG ARG 99 1HG ARG 99 -12.585 -3.071 3.351
777 1HD ARG 99 2HD ARG 99 -14.245 -2.504 1.652
778 2HD ARG 99 1HD ARG 99 -12.957 -2.174 0.492
779 HE ARG 99 HE ARG 99 -12.816 -4.816 1.609
780 1HH1 ARG 99 1HH1 ARG 99 -14.319 -2.865 -0.898
781 2HH1 ARG 99 2HH1 ARG 99 -14.602 -4.227 -1.946
782 1HH2 ARG 99 1HH2 ARG 99 -13.196 -6.575 0.251
783 2HH2 ARG 99 2HH2 ARG 99 -13.988 -6.347 -1.276
784 H ILE 100 H ILE 100 -12.985 0.938 4.866
785 HA ILE 100 HA ILE 100 -12.123 3.345 3.736
786 HB ILE 100 HB ILE 100 -14.398 3.041 4.593
787 1HG1 ILE 100 2HG1 ILE 100 -12.895 5.312 5.912
788 2HG1 ILE 100 1HG1 ILE 100 -13.452 5.293 4.243
789 1HG2 ILE 100 1HG2 ILE 100 -14.839 3.235 7.005
790 2HG2 ILE 100 2HG2 ILE 100 -13.103 3.184 7.314
791 3HG2 ILE 100 3HG2 ILE 100 -13.917 1.785 6.611
792 1HD1 ILE 100 1HD1 ILE 100 -15.176 5.225 6.695
793 2HD1 ILE 100 2HD1 ILE 100 -15.755 5.159 5.030
794 3HD1 ILE 100 3HD1 ILE 100 -14.926 6.598 5.619
795 H ALA 101 H ALA 101 -11.121 1.731 6.672
796 HA ALA 101 HA ALA 101 -9.840 3.920 7.900
797 1HB ALA 101 1HB ALA 101 -8.546 2.254 9.145
798 2HB ALA 101 2HB ALA 101 -9.096 0.993 8.040
799 3HB ALA 101 3HB ALA 101 -10.255 1.814 9.088
800 H LEU 102 H LEU 102 -8.694 1.432 5.663
801 HA LEU 102 HA LEU 102 -6.116 2.401 5.184
802 1HB LEU 102 2HB LEU 102 -6.741 0.251 4.356
803 2HB LEU 102 1HB LEU 102 -8.095 0.913 3.461
804 HG LEU 102 HG LEU 102 -6.462 2.059 1.955
805 1HD1 LEU 102 1HD1 LEU 102 -4.143 1.308 1.964
806 2HD1 LEU 102 2HD1 LEU 102 -4.448 0.379 3.433
807 3HD1 LEU 102 3HD1 LEU 102 -4.557 2.139 3.464
808 1HD2 LEU 102 1HD2 LEU 102 -7.508 -0.053 1.333
809 2HD2 LEU 102 2HD2 LEU 102 -6.219 -0.938 2.149
810 3HD2 LEU 102 3HD2 LEU 102 -5.854 0.041 0.728
811 H GLU 103 H GLU 103 -9.209 3.154 3.660
812 HA GLU 103 HA GLU 103 -8.442 4.883 1.658
813 1HB GLU 103 2HB GLU 103 -10.769 4.059 2.100
814 2HB GLU 103 1HB GLU 103 -10.865 5.193 3.432
815 1HG GLU 103 2HG GLU 103 -10.614 7.058 1.906
816 2HG GLU 103 1HG GLU 103 -10.467 5.940 0.550
817 H ARG 104 H ARG 104 -9.387 5.787 4.971
818 HA ARG 104 HA ARG 104 -8.905 8.547 4.621
819 1HB ARG 104 2HB ARG 104 -8.908 6.989 7.215
820 2HB ARG 104 1HB ARG 104 -9.135 8.724 7.036
821 1HG ARG 104 2HG ARG 104 -11.191 8.208 5.685
822 2HG ARG 104 1HG ARG 104 -10.990 6.522 6.168
823 1HD ARG 104 2HD ARG 104 -12.517 7.427 7.708
824 2HD ARG 104 1HD ARG 104 -10.978 7.369 8.563
825 HE ARG 104 HE ARG 104 -11.716 9.874 7.242
826 1HH1 ARG 104 1HH1 ARG 104 -11.257 8.057 10.206
827 2HH1 ARG 104 2HH1 ARG 104 -11.448 9.444 11.240
828 1HH2 ARG 104 1HH2 ARG 104 -11.959 11.706 8.589
829 2HH2 ARG 104 2HH2 ARG 104 -11.833 11.527 10.318
830 H TYR 105 H TYR 105 -6.853 5.923 5.842
831 HA TYR 105 HA TYR 105 -4.764 7.654 6.676
832 1HB TYR 105 2HB TYR 105 -4.941 4.700 6.180
833 2HB TYR 105 1HB TYR 105 -3.406 5.466 6.554
834 HD1 TYR 105 HD1 TYR 105 -3.968 7.392 8.581
835 HD2 TYR 105 HD2 TYR 105 -5.705 3.549 8.046
836 HE1 TYR 105 HE1 TYR 105 -4.477 7.297 10.986
837 HE2 TYR 105 HE2 TYR 105 -6.222 3.442 10.447
838 HH TYR 105 HH TYR 105 -5.267 4.492 12.574
839 H LEU 106 H LEU 106 -5.383 5.858 3.672
840 HA LEU 106 HA LEU 106 -3.052 6.620 2.294
841 1HB LEU 106 2HB LEU 106 -5.851 6.152 1.257
842 2HB LEU 106 1HB LEU 106 -4.457 6.392 0.222
843 HG LEU 106 HG LEU 106 -4.834 4.105 2.153
844 1HD1 LEU 106 1HD1 LEU 106 -6.325 3.973 0.237
845 2HD1 LEU 106 2HD1 LEU 106 -5.057 2.751 0.131
846 3HD1 LEU 106 3HD1 LEU 106 -4.962 4.210 -0.856
847 1HD2 LEU 106 1HD2 LEU 106 -2.835 3.174 1.096
848 2HD2 LEU 106 2HD2 LEU 106 -2.483 4.707 1.896
849 3HD2 LEU 106 3HD2 LEU 106 -2.654 4.646 0.141
850 H ASN 107 H ASN 107 -6.033 8.271 2.950
851 HA ASN 107 HA ASN 107 -5.629 10.477 1.173
852 1HB ASN 107 2HB ASN 107 -7.792 9.515 2.267
853 2HB ASN 107 1HB ASN 107 -7.363 10.537 3.621
854 1HD2 ASN 107 1HD2 ASN 107 -9.204 11.740 3.372
855 2HD2 ASN 107 2HD2 ASN 107 -9.394 12.891 2.096
856 H GLY 108 H GLY 108 -5.014 9.823 4.540
857 1HA GLY 108 2HA GLY 108 -4.105 12.467 5.171
858 2HA GLY 108 1HA GLY 108 -3.868 11.024 6.147
859 H LEU 109 H LEU 109 -2.448 9.421 4.403
860 HA LEU 109 HA LEU 109 0.149 10.621 4.723
861 1HB LEU 109 2HB LEU 109 -0.281 8.277 5.297
862 2HB LEU 109 1HB LEU 109 -0.656 7.931 3.621
863 HG LEU 109 HG LEU 109 1.674 8.499 3.007
864 1HD1 LEU 109 1HD1 LEU 109 2.159 10.030 4.841
865 2HD1 LEU 109 2HD1 LEU 109 3.348 8.731 4.766
866 3HD1 LEU 109 3HD1 LEU 109 2.076 8.693 5.988
867 1HD2 LEU 109 1HD2 LEU 109 2.678 6.478 3.909
868 2HD2 LEU 109 2HD2 LEU 109 1.000 6.179 3.461
869 3HD2 LEU 109 3HD2 LEU 109 1.435 6.395 5.157
870 H PHE 110 H PHE 110 -1.667 9.301 1.949
871 HA PHE 110 HA PHE 110 0.317 10.460 0.141
872 1HB PHE 110 2HB PHE 110 -1.977 8.560 -0.381
873 2HB PHE 110 1HB PHE 110 -0.895 9.175 -1.626
874 HD1 PHE 110 HD1 PHE 110 1.511 8.576 -1.558
875 HD2 PHE 110 HD2 PHE 110 -1.352 6.763 1.015
876 HE1 PHE 110 HE1 PHE 110 3.087 6.737 -1.114
877 HE2 PHE 110 HE2 PHE 110 0.218 4.925 1.470
878 HZ PHE 110 HZ PHE 110 2.439 4.911 0.407
879 H GLY 111 H GLY 111 -2.277 11.580 1.661
880 1HA GLY 111 2HA GLY 111 -3.637 12.948 -0.447
881 2HA GLY 111 1HA GLY 111 -3.755 13.298 1.269
882 H ASP 112 H ASP 112 -0.529 13.319 0.613
883 HA ASP 112 HA ASP 112 -0.464 16.167 0.091
884 1HB ASP 112 2HB ASP 112 1.687 14.214 0.927
885 2HB ASP 112 1HB ASP 112 1.995 15.906 0.550
Start of MODEL 14
1 1H MET 1 1HT MET 1 -10.862 -5.785 11.390
2 2H MET 1 2HT MET 1 -12.076 -6.942 11.599
3 3H MET 1 3HT MET 1 -12.017 -6.028 10.171
4 HA MET 1 HA MET 1 -9.996 -8.004 11.068
5 1HB MET 1 2HB MET 1 -11.936 -8.085 8.740
6 2HB MET 1 1HB MET 1 -10.740 -9.315 9.128
7 1HG MET 1 2HG MET 1 -11.890 -9.838 11.184
8 2HG MET 1 1HG MET 1 -13.041 -8.534 10.904
9 1HE MET 1 1HE MET 1 -15.233 -11.739 10.415
10 2HE MET 1 2HE MET 1 -15.094 -10.186 11.239
11 3HE MET 1 3HE MET 1 -13.941 -11.475 11.587
12 H TYR 2 H TYR 2 -8.240 -8.291 9.609
13 HA TYR 2 HA TYR 2 -7.393 -5.840 8.378
14 1HB TYR 2 2HB TYR 2 -6.178 -8.552 8.715
15 2HB TYR 2 1HB TYR 2 -5.436 -7.389 7.628
16 HD1 TYR 2 HD1 TYR 2 -6.716 -7.600 11.141
17 HD2 TYR 2 HD2 TYR 2 -3.812 -6.001 8.475
18 HE1 TYR 2 HE1 TYR 2 -5.556 -6.556 13.036
19 HE2 TYR 2 HE2 TYR 2 -2.642 -4.956 10.365
20 HH TYR 2 HH TYR 2 -3.294 -4.155 12.733
21 H LEU 3 H LEU 3 -7.039 -5.429 6.221
22 HA LEU 3 HA LEU 3 -8.943 -6.650 4.463
23 1HB LEU 3 2HB LEU 3 -6.836 -4.573 3.866
24 2HB LEU 3 1HB LEU 3 -8.194 -4.991 2.840
25 HG LEU 3 HG LEU 3 -8.380 -3.698 5.564
26 1HD1 LEU 3 1HD1 LEU 3 -8.871 -2.582 2.806
27 2HD1 LEU 3 2HD1 LEU 3 -7.502 -2.195 3.850
28 3HD1 LEU 3 3HD1 LEU 3 -9.137 -1.733 4.328
29 1HD2 LEU 3 1HD2 LEU 3 -10.285 -5.158 5.101
30 2HD2 LEU 3 2HD2 LEU 3 -10.540 -4.341 3.558
31 3HD2 LEU 3 3HD2 LEU 3 -10.756 -3.459 5.070
32 H ARG 4 H ARG 4 -8.546 -7.766 2.570
33 HA ARG 4 HA ARG 4 -6.185 -9.377 2.437
34 1HB ARG 4 2HB ARG 4 -8.530 -8.985 0.578
35 2HB ARG 4 1HB ARG 4 -7.204 -10.077 0.210
36 1HG ARG 4 2HG ARG 4 -7.709 -11.400 2.176
37 2HG ARG 4 1HG ARG 4 -8.993 -10.272 2.623
38 1HD ARG 4 2HD ARG 4 -9.763 -12.363 1.458
39 2HD ARG 4 1HD ARG 4 -10.285 -10.852 0.713
40 HE ARG 4 HE ARG 4 -7.977 -11.470 -0.598
41 1HH1 ARG 4 1HH1 ARG 4 -10.961 -13.208 -0.009
42 2HH1 ARG 4 2HH1 ARG 4 -10.894 -14.083 -1.510
43 1HH2 ARG 4 1HH2 ARG 4 -7.889 -12.570 -2.563
44 2HH2 ARG 4 2HH2 ARG 4 -9.122 -13.740 -2.959
45 HA PRO 5 HA PRO 5 -3.525 -6.937 -0.194
46 1HB PRO 5 2HB PRO 5 -2.894 -8.871 -2.105
47 2HB PRO 5 1HB PRO 5 -2.037 -8.618 -0.582
48 1HG PRO 5 2HG PRO 5 -4.141 -10.621 -1.268
49 2HG PRO 5 1HG PRO 5 -2.710 -10.800 -0.236
50 1HD PRO 5 2HD PRO 5 -5.159 -10.516 0.815
51 2HD PRO 5 1HD PRO 5 -3.733 -9.777 1.578
52 H ASP 6 H ASP 6 -5.828 -9.088 -1.808
53 HA ASP 6 HA ASP 6 -6.144 -7.691 -4.208
54 1HB ASP 6 2HB ASP 6 -8.370 -9.138 -2.755
55 2HB ASP 6 1HB ASP 6 -8.196 -8.902 -4.488
56 H GLU 7 H GLU 7 -7.764 -7.389 -1.096
57 HA GLU 7 HA GLU 7 -9.729 -5.516 -1.829
58 1HB GLU 7 2HB GLU 7 -9.775 -6.916 0.228
59 2HB GLU 7 1HB GLU 7 -8.458 -5.956 0.883
60 1HG GLU 7 2HG GLU 7 -10.371 -5.100 1.893
61 2HG GLU 7 1HG GLU 7 -9.999 -3.950 0.610
62 H VAL 8 H VAL 8 -6.480 -5.134 -0.469
63 HA VAL 8 HA VAL 8 -6.498 -2.354 -0.136
64 HB VAL 8 HB VAL 8 -4.146 -4.118 -0.854
65 1HG1 VAL 8 1HG1 VAL 8 -2.783 -2.351 0.194
66 2HG1 VAL 8 2HG1 VAL 8 -4.228 -1.348 0.339
67 3HG1 VAL 8 3HG1 VAL 8 -3.618 -1.792 -1.255
68 1HG2 VAL 8 1HG2 VAL 8 -3.707 -4.172 1.548
69 2HG2 VAL 8 2HG2 VAL 8 -5.294 -4.850 1.175
70 3HG2 VAL 8 3HG2 VAL 8 -5.162 -3.221 1.841
71 H ALA 9 H ALA 9 -5.491 -4.324 -2.911
72 HA ALA 9 HA ALA 9 -4.749 -2.228 -4.614
73 1HB ALA 9 1HB ALA 9 -5.034 -3.844 -6.437
74 2HB ALA 9 2HB ALA 9 -5.882 -4.929 -5.334
75 3HB ALA 9 3HB ALA 9 -4.181 -4.555 -5.063
76 H ARG 10 H ARG 10 -7.886 -3.712 -3.987
77 HA ARG 10 HA ARG 10 -9.361 -2.598 -6.073
78 1HB ARG 10 2HB ARG 10 -10.210 -3.302 -3.263
79 2HB ARG 10 1HB ARG 10 -11.332 -2.868 -4.546
80 1HG ARG 10 2HG ARG 10 -10.676 -4.786 -5.837
81 2HG ARG 10 1HG ARG 10 -9.421 -5.188 -4.662
82 1HD ARG 10 2HD ARG 10 -11.155 -5.510 -2.950
83 2HD ARG 10 1HD ARG 10 -12.394 -5.150 -4.152
84 HE ARG 10 HE ARG 10 -11.263 -7.170 -5.358
85 1HH1 ARG 10 1HH1 ARG 10 -11.849 -6.816 -1.915
86 2HH1 ARG 10 2HH1 ARG 10 -12.009 -8.536 -1.645
87 1HH2 ARG 10 1HH2 ARG 10 -11.512 -9.396 -5.022
88 2HH2 ARG 10 2HH2 ARG 10 -11.838 -10.009 -3.426
89 H VAL 11 H VAL 11 -8.764 -1.293 -2.815
90 HA VAL 11 HA VAL 11 -10.296 1.053 -3.142
91 HB VAL 11 HB VAL 11 -7.890 0.592 -1.367
92 1HG1 VAL 11 1HG1 VAL 11 -9.981 2.767 -1.230
93 2HG1 VAL 11 2HG1 VAL 11 -8.300 2.984 -1.713
94 3HG1 VAL 11 3HG1 VAL 11 -8.687 2.497 -0.063
95 1HG2 VAL 11 1HG2 VAL 11 -9.742 -0.939 -0.930
96 2HG2 VAL 11 2HG2 VAL 11 -10.842 0.432 -0.776
97 3HG2 VAL 11 3HG2 VAL 11 -9.540 0.212 0.391
98 H LEU 12 H LEU 12 -6.895 0.336 -3.792
99 HA LEU 12 HA LEU 12 -6.074 2.913 -4.526
100 1HB LEU 12 2HB LEU 12 -5.104 0.257 -5.590
101 2HB LEU 12 1HB LEU 12 -4.265 1.788 -5.759
102 HG LEU 12 HG LEU 12 -4.845 0.410 -3.135
103 1HD1 LEU 12 1HD1 LEU 12 -2.287 0.644 -4.712
104 2HD1 LEU 12 2HD1 LEU 12 -3.219 -0.830 -4.439
105 3HD1 LEU 12 3HD1 LEU 12 -2.432 -0.019 -3.084
106 1HD2 LEU 12 1HD2 LEU 12 -4.740 2.836 -2.926
107 2HD2 LEU 12 2HD2 LEU 12 -3.193 2.851 -3.771
108 3HD2 LEU 12 3HD2 LEU 12 -3.327 2.078 -2.193
109 H GLU 13 H GLU 13 -7.339 0.258 -6.541
110 HA GLU 13 HA GLU 13 -7.278 1.560 -9.006
111 1HB GLU 13 2HB GLU 13 -9.337 -0.420 -8.026
112 2HB GLU 13 1HB GLU 13 -8.975 -0.042 -9.695
113 1HG GLU 13 2HG GLU 13 -6.726 -0.962 -9.412
114 2HG GLU 13 1HG GLU 13 -7.123 -1.376 -7.743
115 H LYS 14 H LYS 14 -9.665 1.577 -6.434
116 HA LYS 14 HA LYS 14 -11.713 2.908 -7.882
117 1HB LYS 14 2HB LYS 14 -11.793 1.493 -5.685
118 2HB LYS 14 1HB LYS 14 -11.465 3.025 -4.899
119 1HG LYS 14 2HG LYS 14 -13.789 2.792 -4.830
120 2HG LYS 14 1HG LYS 14 -13.482 3.936 -6.138
121 1HD LYS 14 2HD LYS 14 -13.852 0.985 -6.614
122 2HD LYS 14 1HD LYS 14 -15.206 2.113 -6.580
123 1HE LYS 14 2HE LYS 14 -14.220 3.366 -8.431
124 2HE LYS 14 1HE LYS 14 -12.830 2.280 -8.439
125 1HZ LYS 14 1HZ LYS 14 -15.634 1.446 -8.950
126 2HZ LYS 14 2HZ LYS 14 -14.258 0.462 -9.059
127 3HZ LYS 14 3HZ LYS 14 -14.478 1.734 -10.157
128 H ALA 15 H ALA 15 -9.221 3.944 -5.626
129 HA ALA 15 HA ALA 15 -9.944 6.653 -5.434
130 1HB ALA 15 1HB ALA 15 -7.670 7.022 -4.624
131 2HB ALA 15 2HB ALA 15 -7.196 5.426 -5.207
132 3HB ALA 15 3HB ALA 15 -8.374 5.575 -3.901
133 H GLY 16 H GLY 16 -8.259 4.883 -7.907
134 1HA GLY 16 2HA GLY 16 -8.385 5.879 -10.149
135 2HA GLY 16 1HA GLY 16 -7.957 7.411 -9.407
136 H PHE 17 H PHE 17 -6.370 4.555 -8.313
137 HA PHE 17 HA PHE 17 -3.839 5.625 -9.197
138 1HB PHE 17 2HB PHE 17 -4.668 3.357 -7.424
139 2HB PHE 17 1HB PHE 17 -3.025 3.453 -8.035
140 HD1 PHE 17 HD1 PHE 17 -1.467 4.460 -6.714
141 HD2 PHE 17 HD2 PHE 17 -5.534 5.659 -6.370
142 HE1 PHE 17 HE1 PHE 17 -0.857 5.981 -4.879
143 HE2 PHE 17 HE2 PHE 17 -4.934 7.182 -4.537
144 HZ PHE 17 HZ PHE 17 -2.590 7.345 -3.785
145 H THR 18 H THR 18 -2.184 3.869 -9.902
146 HA THR 18 HA THR 18 -3.324 2.077 -11.928
147 HB THR 18 HB THR 18 -1.319 2.816 -13.390
148 HG1 THR 18 HG1 THR 18 -0.901 4.375 -11.330
149 1HG2 THR 18 1HG2 THR 18 -3.649 3.242 -13.996
150 2HG2 THR 18 2HG2 THR 18 -2.630 4.621 -14.413
151 3HG2 THR 18 3HG2 THR 18 -3.657 4.685 -12.980
152 H VAL 19 H VAL 19 -1.867 0.321 -12.533
153 HA VAL 19 HA VAL 19 0.146 -0.196 -10.453
154 HB VAL 19 HB VAL 19 -1.645 -1.926 -10.961
155 1HG1 VAL 19 1HG1 VAL 19 0.014 -2.365 -13.439
156 2HG1 VAL 19 2HG1 VAL 19 -1.641 -1.754 -13.393
157 3HG1 VAL 19 3HG1 VAL 19 -1.292 -3.402 -12.870
158 1HG2 VAL 19 1HG2 VAL 19 1.235 -2.777 -11.228
159 2HG2 VAL 19 2HG2 VAL 19 -0.108 -3.818 -10.756
160 3HG2 VAL 19 3HG2 VAL 19 0.374 -2.476 -9.718
161 H ASP 20 H ASP 20 2.282 -0.599 -10.944
162 HA ASP 20 HA ASP 20 3.081 0.061 -13.700
163 1HB ASP 20 2HB ASP 20 3.966 1.574 -11.957
164 2HB ASP 20 1HB ASP 20 4.728 0.197 -11.164
165 H VAL 21 H VAL 21 4.368 -1.834 -10.988
166 HA VAL 21 HA VAL 21 5.167 -3.886 -12.918
167 HB VAL 21 HB VAL 21 7.068 -3.095 -11.701
168 1HG1 VAL 21 1HG1 VAL 21 5.538 -3.653 -9.166
169 2HG1 VAL 21 2HG1 VAL 21 5.979 -2.066 -9.802
170 3HG1 VAL 21 3HG1 VAL 21 7.235 -3.178 -9.252
171 1HG2 VAL 21 1HG2 VAL 21 7.014 -5.493 -12.102
172 2HG2 VAL 21 2HG2 VAL 21 6.197 -5.746 -10.560
173 3HG2 VAL 21 3HG2 VAL 21 7.851 -5.131 -10.591
174 H VAL 22 H VAL 22 3.626 -5.340 -13.125
175 HA VAL 22 HA VAL 22 2.144 -6.190 -10.750
176 HB VAL 22 HB VAL 22 0.700 -5.492 -12.536
177 1HG1 VAL 22 1HG1 VAL 22 0.687 -6.553 -14.736
178 2HG1 VAL 22 2HG1 VAL 22 2.092 -7.515 -14.282
179 3HG1 VAL 22 3HG1 VAL 22 2.230 -5.762 -14.412
180 1HG2 VAL 22 1HG2 VAL 22 -0.644 -7.500 -12.877
181 2HG2 VAL 22 2HG2 VAL 22 -0.052 -7.401 -11.219
182 3HG2 VAL 22 3HG2 VAL 22 0.714 -8.501 -12.364
183 H THR 23 H THR 23 2.790 -7.950 -9.759
184 HA THR 23 HA THR 23 3.835 -10.187 -11.350
185 HB THR 23 HB THR 23 5.413 -10.656 -9.397
186 HG1 THR 23 HG1 THR 23 4.435 -8.115 -8.714
187 1HG2 THR 23 1HG2 THR 23 5.905 -8.180 -11.054
188 2HG2 THR 23 2HG2 THR 23 6.233 -9.842 -11.550
189 3HG2 THR 23 3HG2 THR 23 7.143 -9.119 -10.220
190 H ASN 24 H ASN 24 3.705 -12.276 -10.143
191 HA ASN 24 HA ASN 24 1.109 -12.454 -8.904
192 1HB ASN 24 2HB ASN 24 2.142 -14.147 -10.524
193 2HB ASN 24 1HB ASN 24 3.099 -14.706 -9.157
194 1HD2 ASN 24 1HD2 ASN 24 2.183 -16.716 -9.083
195 2HD2 ASN 24 2HD2 ASN 24 0.541 -16.985 -8.593
196 H LYS 25 H LYS 25 3.920 -11.474 -7.694
197 HA LYS 25 HA LYS 25 3.362 -12.596 -5.025
198 1HB LYS 25 2HB LYS 25 5.938 -11.632 -6.262
199 2HB LYS 25 1HB LYS 25 5.751 -11.835 -4.530
200 1HG LYS 25 2HG LYS 25 5.359 -14.202 -4.818
201 2HG LYS 25 1HG LYS 25 5.440 -14.020 -6.573
202 1HD LYS 25 2HD LYS 25 7.740 -13.376 -6.471
203 2HD LYS 25 1HD LYS 25 7.685 -13.270 -4.713
204 1HE LYS 25 2HE LYS 25 7.256 -15.808 -6.270
205 2HE LYS 25 1HE LYS 25 8.805 -15.309 -5.595
206 1HZ LYS 25 1HZ LYS 25 7.791 -16.798 -4.068
207 2HZ LYS 25 2HZ LYS 25 6.322 -15.955 -4.105
208 3HZ LYS 25 3HZ LYS 25 7.682 -15.247 -3.390
209 H THR 26 H THR 26 3.153 -9.861 -6.970
210 HA THR 26 HA THR 26 2.883 -8.065 -4.766
211 HB THR 26 HB THR 26 5.378 -8.102 -6.431
212 HG1 THR 26 HG1 THR 26 4.836 -8.772 -3.975
213 1HG2 THR 26 1HG2 THR 26 4.501 -5.852 -6.676
214 2HG2 THR 26 2HG2 THR 26 5.951 -5.860 -5.675
215 3HG2 THR 26 3HG2 THR 26 4.362 -5.698 -4.921
216 H TYR 27 H TYR 27 1.628 -6.385 -5.275
217 HA TYR 27 HA TYR 27 1.295 -5.657 -8.111
218 1HB TYR 27 2HB TYR 27 -0.451 -5.197 -5.692
219 2HB TYR 27 1HB TYR 27 -0.682 -4.307 -7.188
220 HD1 TYR 27 HD1 TYR 27 -1.755 -7.059 -5.353
221 HD2 TYR 27 HD2 TYR 27 -0.839 -5.902 -9.345
222 HE1 TYR 27 HE1 TYR 27 -3.193 -8.862 -6.202
223 HE2 TYR 27 HE2 TYR 27 -2.276 -7.705 -10.203
224 HH TYR 27 HH TYR 27 -3.190 -9.837 -9.475
225 H GLY 28 H GLY 28 2.964 -4.260 -8.503
226 1HA GLY 28 2HA GLY 28 3.706 -2.225 -6.593
227 2HA GLY 28 1HA GLY 28 4.362 -2.431 -8.211
228 H TYR 29 H TYR 29 1.937 -0.917 -6.273
229 HA TYR 29 HA TYR 29 0.624 0.267 -8.592
230 1HB TYR 29 2HB TYR 29 -0.068 -0.240 -5.775
231 2HB TYR 29 1HB TYR 29 -0.708 1.248 -6.451
232 HD1 TYR 29 HD1 TYR 29 -0.619 -2.425 -6.854
233 HD2 TYR 29 HD2 TYR 29 -2.527 1.204 -7.992
234 HE1 TYR 29 HE1 TYR 29 -2.408 -3.712 -7.938
235 HE2 TYR 29 HE2 TYR 29 -4.323 -0.078 -9.078
236 HH TYR 29 HH TYR 29 -4.735 -2.243 -10.003
237 H ARG 30 H ARG 30 0.264 2.525 -8.775
238 HA ARG 30 HA ARG 30 1.688 4.368 -7.091
239 1HB ARG 30 2HB ARG 30 3.369 5.077 -8.543
240 2HB ARG 30 1HB ARG 30 3.418 3.326 -8.687
241 1HG ARG 30 2HG ARG 30 2.118 3.467 -10.758
242 2HG ARG 30 1HG ARG 30 2.103 5.228 -10.620
243 1HD ARG 30 2HD ARG 30 4.703 4.902 -10.450
244 2HD ARG 30 1HD ARG 30 4.343 3.382 -11.265
245 HE ARG 30 HE ARG 30 4.143 6.059 -12.366
246 1HH1 ARG 30 1HH1 ARG 30 3.293 2.685 -12.774
247 2HH1 ARG 30 2HH1 ARG 30 3.137 2.814 -14.494
248 1HH2 ARG 30 1HH2 ARG 30 3.935 6.210 -14.616
249 2HH2 ARG 30 2HH2 ARG 30 3.497 4.801 -15.542
250 H ARG 31 H ARG 31 1.421 6.610 -7.810
251 HA ARG 31 HA ARG 31 -0.045 7.196 -10.195
252 1HB ARG 31 2HB ARG 31 -1.872 6.644 -8.496
253 2HB ARG 31 1HB ARG 31 -1.358 8.084 -7.623
254 1HG ARG 31 2HG ARG 31 -1.877 9.474 -9.530
255 2HG ARG 31 1HG ARG 31 -2.295 8.050 -10.485
256 1HD ARG 31 2HD ARG 31 -4.360 8.867 -9.787
257 2HD ARG 31 1HD ARG 31 -4.013 7.573 -8.645
258 HE ARG 31 HE ARG 31 -3.072 10.022 -7.606
259 1HH1 ARG 31 1HH1 ARG 31 -6.071 8.350 -8.299
260 2HH1 ARG 31 2HH1 ARG 31 -6.960 9.159 -7.046
261 1HH2 ARG 31 1HH2 ARG 31 -4.240 11.110 -5.996
262 2HH2 ARG 31 2HH2 ARG 31 -5.924 10.718 -5.735
263 H GLY 32 H GLY 32 0.605 9.127 -10.940
264 1HA GLY 32 2HA GLY 32 1.743 11.118 -11.046
265 2HA GLY 32 1HA GLY 32 1.413 11.312 -9.327
266 H GLU 33 H GLU 33 3.026 11.047 -7.917
267 HA GLU 33 HA GLU 33 5.441 9.634 -8.807
268 1HB GLU 33 2HB GLU 33 5.305 12.289 -7.368
269 2HB GLU 33 1HB GLU 33 6.773 11.324 -7.478
270 1HG GLU 33 2HG GLU 33 6.628 11.456 -9.942
271 2HG GLU 33 1HG GLU 33 5.229 12.513 -9.771
272 H ASN 34 H ASN 34 3.008 9.125 -7.025
273 HA ASN 34 HA ASN 34 4.440 8.489 -4.537
274 1HB ASN 34 2HB ASN 34 1.464 8.388 -5.099
275 2HB ASN 34 1HB ASN 34 2.231 8.085 -3.545
276 1HD2 ASN 34 1HD2 ASN 34 1.067 10.447 -5.729
277 2HD2 ASN 34 2HD2 ASN 34 1.413 11.834 -4.760
278 H TYR 35 H TYR 35 4.690 6.382 -3.859
279 HA TYR 35 HA TYR 35 3.801 4.314 -5.758
280 1HB TYR 35 2HB TYR 35 6.466 4.474 -4.326
281 2HB TYR 35 1HB TYR 35 5.924 3.109 -5.295
282 HD1 TYR 35 HD1 TYR 35 7.499 6.340 -5.327
283 HD2 TYR 35 HD2 TYR 35 5.533 3.462 -7.763
284 HE1 TYR 35 HE1 TYR 35 8.469 7.386 -7.331
285 HE2 TYR 35 HE2 TYR 35 6.494 4.500 -9.774
286 HH TYR 35 HH TYR 35 9.031 6.697 -9.683
287 H VAL 36 H VAL 36 2.729 2.659 -4.901
288 HA VAL 36 HA VAL 36 3.187 1.962 -2.090
289 HB VAL 36 HB VAL 36 0.713 1.352 -1.944
290 1HG1 VAL 36 1HG1 VAL 36 1.642 3.196 -0.691
291 2HG1 VAL 36 2HG1 VAL 36 0.054 3.641 -1.315
292 3HG1 VAL 36 3HG1 VAL 36 1.511 4.254 -2.095
293 1HG2 VAL 36 1HG2 VAL 36 -0.819 2.638 -3.346
294 2HG2 VAL 36 2HG2 VAL 36 0.173 1.546 -4.315
295 3HG2 VAL 36 3HG2 VAL 36 0.546 3.269 -4.267
296 H TYR 37 H TYR 37 3.936 -0.030 -2.050
297 HA TYR 37 HA TYR 37 3.314 -1.802 -4.291
298 1HB TYR 37 2HB TYR 37 5.475 -1.928 -2.186
299 2HB TYR 37 1HB TYR 37 5.227 -3.154 -3.424
300 HD1 TYR 37 HD1 TYR 37 6.460 0.213 -2.732
301 HD2 TYR 37 HD2 TYR 37 5.709 -2.669 -5.770
302 HE1 TYR 37 HE1 TYR 37 7.883 1.484 -4.284
303 HE2 TYR 37 HE2 TYR 37 7.130 -1.406 -7.328
304 HH TYR 37 HH TYR 37 7.914 0.975 -7.591
305 H VAL 38 H VAL 38 1.632 -3.048 -3.999
306 HA VAL 38 HA VAL 38 0.806 -3.875 -1.347
307 HB VAL 38 HB VAL 38 -0.410 -4.576 -4.023
308 1HG1 VAL 38 1HG1 VAL 38 -1.040 -6.134 -2.276
309 2HG1 VAL 38 2HG1 VAL 38 -2.411 -5.106 -2.700
310 3HG1 VAL 38 3HG1 VAL 38 -1.500 -4.795 -1.224
311 1HG2 VAL 38 1HG2 VAL 38 -2.057 -2.832 -3.529
312 2HG2 VAL 38 2HG2 VAL 38 -0.428 -2.170 -3.673
313 3HG2 VAL 38 3HG2 VAL 38 -1.151 -2.394 -2.080
314 H ASN 39 H ASN 39 1.652 -5.593 -0.425
315 HA ASN 39 HA ASN 39 3.080 -7.587 -1.911
316 1HB ASN 39 2HB ASN 39 3.582 -6.838 0.491
317 2HB ASN 39 1HB ASN 39 2.209 -7.831 0.966
318 1HD2 ASN 39 1HD2 ASN 39 5.408 -7.853 -0.433
319 2HD2 ASN 39 2HD2 ASN 39 5.720 -9.539 -0.166
320 H ARG 40 H ARG 40 2.083 -9.046 -3.052
321 HA ARG 40 HA ARG 40 -0.733 -9.435 -2.824
322 1HB ARG 40 2HB ARG 40 0.760 -9.413 -4.918
323 2HB ARG 40 1HB ARG 40 1.142 -11.075 -4.502
324 1HG ARG 40 2HG ARG 40 -1.267 -11.609 -4.618
325 2HG ARG 40 1HG ARG 40 -1.566 -9.953 -5.159
326 1HD ARG 40 2HD ARG 40 -0.017 -10.328 -7.038
327 2HD ARG 40 1HD ARG 40 0.161 -12.001 -6.534
328 HE ARG 40 HE ARG 40 -1.806 -11.031 -8.217
329 1HH1 ARG 40 1HH1 ARG 40 -1.727 -13.031 -5.310
330 2HH1 ARG 40 2HH1 ARG 40 -3.276 -13.742 -5.634
331 1HH2 ARG 40 1HH2 ARG 40 -3.794 -12.019 -8.636
332 2HH2 ARG 40 2HH2 ARG 40 -4.433 -13.192 -7.530
333 H GLU 41 H GLU 41 2.002 -10.963 -1.493
334 HA GLU 41 HA GLU 41 0.671 -13.522 -1.095
335 1HB GLU 41 2HB GLU 41 3.411 -12.629 -0.185
336 2HB GLU 41 1HB GLU 41 2.800 -14.276 -0.210
337 1HG GLU 41 2HG GLU 41 2.668 -14.195 -2.646
338 2HG GLU 41 1HG GLU 41 3.280 -12.542 -2.618
339 H ALA 42 H ALA 42 0.792 -10.568 0.426
340 HA ALA 42 HA ALA 42 0.917 -11.483 3.161
341 1HB ALA 42 1HB ALA 42 1.775 -9.289 2.535
342 2HB ALA 42 2HB ALA 42 0.487 -9.160 3.733
343 3HB ALA 42 3HB ALA 42 0.159 -8.792 2.039
344 H ARG 43 H ARG 43 -0.885 -13.067 2.640
345 HA ARG 43 HA ARG 43 -3.538 -12.117 2.262
346 1HB ARG 43 2HB ARG 43 -2.516 -14.769 3.285
347 2HB ARG 43 1HB ARG 43 -4.195 -14.441 2.883
348 1HG ARG 43 2HG ARG 43 -3.602 -14.060 0.569
349 2HG ARG 43 1HG ARG 43 -1.892 -14.277 0.949
350 1HD ARG 43 2HD ARG 43 -2.309 -16.577 1.616
351 2HD ARG 43 1HD ARG 43 -4.033 -16.369 1.311
352 HE ARG 43 HE ARG 43 -3.309 -15.931 -1.082
353 1HH1 ARG 43 1HH1 ARG 43 -1.394 -17.902 1.095
354 2HH1 ARG 43 2HH1 ARG 43 -0.862 -18.997 -0.148
355 1HH2 ARG 43 1HH2 ARG 43 -2.600 -17.344 -2.723
356 2HH2 ARG 43 2HH2 ARG 43 -1.542 -18.672 -2.334
357 H MET 44 H MET 44 -1.523 -12.250 4.991
358 HA MET 44 HA MET 44 -3.583 -12.495 6.969
359 1HB MET 44 2HB MET 44 -0.714 -11.566 7.177
360 2HB MET 44 1HB MET 44 -1.783 -11.794 8.553
361 1HG MET 44 2HG MET 44 -1.968 -14.157 8.050
362 2HG MET 44 1HG MET 44 -0.963 -13.947 6.617
363 1HE MET 44 1HE MET 44 -0.407 -16.112 8.877
364 2HE MET 44 2HE MET 44 1.340 -15.965 9.082
365 3HE MET 44 3HE MET 44 0.631 -15.924 7.467
366 H GLY 45 H GLY 45 -2.063 -9.889 5.224
367 1HA GLY 45 2HA GLY 45 -3.023 -7.760 4.950
368 2HA GLY 45 1HA GLY 45 -3.990 -8.034 6.388
369 H ARG 46 H ARG 46 -1.112 -8.967 7.438
370 HA ARG 46 HA ARG 46 -0.664 -6.532 8.872
371 1HB ARG 46 2HB ARG 46 0.695 -9.216 8.832
372 2HB ARG 46 1HB ARG 46 1.326 -7.878 9.775
373 1HG ARG 46 2HG ARG 46 -1.451 -8.980 10.051
374 2HG ARG 46 1HG ARG 46 -0.086 -9.457 11.058
375 1HD ARG 46 2HD ARG 46 -1.155 -6.649 10.789
376 2HD ARG 46 1HD ARG 46 -1.496 -7.740 12.132
377 HE ARG 46 HE ARG 46 1.161 -7.696 12.190
378 1HH1 ARG 46 1HH1 ARG 46 -1.111 -5.029 11.898
379 2HH1 ARG 46 2HH1 ARG 46 -0.058 -3.885 12.672
380 1HH2 ARG 46 1HH2 ARG 46 2.514 -6.225 13.208
381 2HH2 ARG 46 2HH2 ARG 46 2.014 -4.568 13.423
382 H THR 47 H THR 47 0.699 -8.005 6.047
383 HA THR 47 HA THR 47 2.799 -5.940 5.993
384 HB THR 47 HB THR 47 4.247 -7.600 4.828
385 HG1 THR 47 HG1 THR 47 3.266 -9.333 4.121
386 1HG2 THR 47 1HG2 THR 47 4.781 -8.963 6.807
387 2HG2 THR 47 2HG2 THR 47 3.251 -8.480 7.544
388 3HG2 THR 47 3HG2 THR 47 4.506 -7.275 7.240
389 H ALA 48 H ALA 48 0.108 -5.945 4.810
390 HA ALA 48 HA ALA 48 0.280 -6.858 2.106
391 1HB ALA 48 1HB ALA 48 -1.838 -5.148 3.393
392 2HB ALA 48 2HB ALA 48 -1.813 -6.912 3.367
393 3HB ALA 48 3HB ALA 48 -1.967 -6.010 1.859
394 H LEU 49 H LEU 49 0.389 -3.640 3.622
395 HA LEU 49 HA LEU 49 0.840 -2.545 0.921
396 1HB LEU 49 2HB LEU 49 -1.173 -1.674 2.122
397 2HB LEU 49 1HB LEU 49 -0.106 -1.022 3.353
398 HG LEU 49 HG LEU 49 0.996 0.354 1.560
399 1HD1 LEU 49 1HD1 LEU 49 0.367 -0.974 -0.365
400 2HD1 LEU 49 2HD1 LEU 49 -0.236 0.676 -0.533
401 3HD1 LEU 49 3HD1 LEU 49 -1.338 -0.623 -0.076
402 1HD2 LEU 49 1HD2 LEU 49 -0.661 1.306 3.069
403 2HD2 LEU 49 2HD2 LEU 49 -1.957 0.789 1.989
404 3HD2 LEU 49 3HD2 LEU 49 -0.796 2.007 1.457
405 H ILE 50 H ILE 50 2.932 -2.330 0.577
406 HA ILE 50 HA ILE 50 4.588 -1.398 2.821
407 HB ILE 50 HB ILE 50 5.444 -3.030 0.428
408 1HG1 ILE 50 2HG1 ILE 50 5.134 -3.823 3.334
409 2HG1 ILE 50 1HG1 ILE 50 3.962 -4.192 2.076
410 1HG2 ILE 50 1HG2 ILE 50 7.228 -1.597 1.238
411 2HG2 ILE 50 2HG2 ILE 50 7.557 -3.274 1.678
412 3HG2 ILE 50 3HG2 ILE 50 6.947 -2.145 2.891
413 1HD1 ILE 50 1HD1 ILE 50 6.793 -5.181 2.223
414 2HD1 ILE 50 2HD1 ILE 50 5.655 -5.522 0.918
415 3HD1 ILE 50 3HD1 ILE 50 5.327 -6.107 2.550
416 H ILE 51 H ILE 51 5.184 0.605 2.678
417 HA ILE 51 HA ILE 51 5.075 1.986 0.100
418 HB ILE 51 HB ILE 51 4.980 4.051 1.374
419 1HG1 ILE 51 2HG1 ILE 51 5.146 2.329 3.861
420 2HG1 ILE 51 1HG1 ILE 51 6.471 3.299 3.228
421 1HG2 ILE 51 1HG2 ILE 51 2.832 3.746 2.493
422 2HG2 ILE 51 2HG2 ILE 51 3.076 2.000 2.508
423 3HG2 ILE 51 3HG2 ILE 51 2.882 2.852 0.974
424 1HD1 ILE 51 1HD1 ILE 51 5.106 5.318 3.553
425 2HD1 ILE 51 2HD1 ILE 51 5.414 4.445 5.052
426 3HD1 ILE 51 3HD1 ILE 51 3.840 4.317 4.267
427 H HIS 52 H HIS 52 6.678 3.852 -0.044
428 HA HIS 52 HA HIS 52 9.349 3.000 0.003
429 1HB HIS 52 2HB HIS 52 8.657 4.778 -1.478
430 2HB HIS 52 1HB HIS 52 8.087 5.754 -0.133
431 HD1 HIS 52 HD1 HIS 52 9.861 7.019 1.248
432 HD2 HIS 52 HD2 HIS 52 11.404 4.937 -1.996
433 HE1 HIS 52 HE1 HIS 52 12.231 7.809 1.024
434 HE2 HIS 52 HE2 HIS 52 13.053 6.740 -1.120
435 HA PRO 53 HA PRO 53 10.622 3.533 4.299
436 1HB PRO 53 2HB PRO 53 13.111 4.567 3.025
437 2HB PRO 53 1HB PRO 53 12.912 3.325 4.267
438 1HG PRO 53 2HG PRO 53 13.467 2.652 1.756
439 2HG PRO 53 1HG PRO 53 12.337 1.691 2.726
440 1HD PRO 53 2HD PRO 53 11.779 3.639 0.539
441 2HD PRO 53 1HD PRO 53 10.943 2.127 0.945
442 H ARG 54 H ARG 54 12.241 5.397 5.353
443 HA ARG 54 HA ARG 54 12.378 7.542 6.087
444 1HB ARG 54 2HB ARG 54 12.816 8.440 3.940
445 2HB ARG 54 1HB ARG 54 11.158 8.177 3.408
446 1HG ARG 54 2HG ARG 54 10.366 9.898 4.920
447 2HG ARG 54 1HG ARG 54 11.998 10.128 5.545
448 1HD ARG 54 2HD ARG 54 12.748 10.887 3.368
449 2HD ARG 54 1HD ARG 54 11.148 10.596 2.690
450 HE ARG 54 HE ARG 54 10.311 12.383 4.101
451 1HH1 ARG 54 1HH1 ARG 54 13.808 12.157 3.843
452 2HH1 ARG 54 2HH1 ARG 54 14.068 13.833 4.230
453 1HH2 ARG 54 1HH2 ARG 54 10.652 14.593 4.571
454 2HH2 ARG 54 2HH2 ARG 54 12.277 15.221 4.633
455 H LEU 55 H LEU 55 9.270 6.826 4.565
456 HA LEU 55 HA LEU 55 7.776 8.520 6.315
457 1HB LEU 55 2HB LEU 55 6.926 6.365 4.390
458 2HB LEU 55 1HB LEU 55 5.815 7.412 5.251
459 HG LEU 55 HG LEU 55 7.895 8.343 3.271
460 1HD1 LEU 55 1HD1 LEU 55 5.992 8.815 1.819
461 2HD1 LEU 55 2HD1 LEU 55 4.896 8.133 3.021
462 3HD1 LEU 55 3HD1 LEU 55 6.071 7.097 2.214
463 1HD2 LEU 55 1HD2 LEU 55 5.764 9.799 4.825
464 2HD2 LEU 55 2HD2 LEU 55 6.642 10.489 3.458
465 3HD2 LEU 55 3HD2 LEU 55 7.511 10.032 4.926
466 H LYS 56 H LYS 56 9.371 5.930 7.185
467 HA LYS 56 HA LYS 56 7.564 4.169 8.384
468 1HB LYS 56 2HB LYS 56 9.983 3.753 8.121
469 2HB LYS 56 1HB LYS 56 10.313 4.965 9.349
470 1HG LYS 56 2HG LYS 56 9.273 3.629 11.037
471 2HG LYS 56 1HG LYS 56 8.709 2.469 9.834
472 1HD LYS 56 2HD LYS 56 10.974 1.829 9.320
473 2HD LYS 56 1HD LYS 56 11.609 3.090 10.377
474 1HE LYS 56 2HE LYS 56 11.732 0.953 11.492
475 2HE LYS 56 1HE LYS 56 10.556 1.988 12.295
476 1HZ LYS 56 1HZ LYS 56 9.845 -0.130 10.340
477 2HZ LYS 56 2HZ LYS 56 8.775 0.797 11.279
478 3HZ LYS 56 3HZ LYS 56 9.803 -0.322 12.025
479 H ASP 57 H ASP 57 9.334 6.859 9.899
480 HA ASP 57 HA ASP 57 7.927 6.832 12.339
481 1HB ASP 57 2HB ASP 57 9.334 9.156 11.000
482 2HB ASP 57 1HB ASP 57 8.890 9.061 12.701
483 H ARG 58 H ARG 58 7.572 8.842 9.463
484 HA ARG 58 HA ARG 58 5.506 10.504 10.261
485 1HB ARG 58 2HB ARG 58 6.702 10.961 8.256
486 2HB ARG 58 1HB ARG 58 6.288 9.400 7.569
487 1HG ARG 58 2HG ARG 58 5.041 11.116 6.467
488 2HG ARG 58 1HG ARG 58 3.940 10.120 7.416
489 1HD ARG 58 2HD ARG 58 3.739 11.794 9.091
490 2HD ARG 58 1HD ARG 58 5.064 12.733 8.398
491 HE ARG 58 HE ARG 58 3.425 12.788 6.356
492 1HH1 ARG 58 1HH1 ARG 58 2.617 13.097 9.759
493 2HH1 ARG 58 2HH1 ARG 58 1.220 14.096 9.461
494 1HH2 ARG 58 1HH2 ARG 58 1.604 14.105 5.964
495 2HH2 ARG 58 2HH2 ARG 58 0.652 14.680 7.303
496 H SER 59 H SER 59 5.193 7.518 8.341
497 HA SER 59 HA SER 59 2.398 7.525 8.282
498 1HB SER 59 2HB SER 59 3.467 6.245 6.643
499 2HB SER 59 1HB SER 59 4.459 5.392 7.822
500 HG SER 59 HG SER 59 1.876 4.973 8.384
501 H SER 60 H SER 60 4.591 6.378 10.754
502 HA SER 60 HA SER 60 2.896 4.589 12.087
503 1HB SER 60 2HB SER 60 5.062 6.391 13.191
504 2HB SER 60 1HB SER 60 4.284 5.098 14.105
505 HG SER 60 HG SER 60 5.851 4.854 11.744
506 H SER 61 H SER 61 2.666 7.984 11.764
507 HA SER 61 HA SER 61 1.040 8.323 14.156
508 1HB SER 61 2HB SER 61 1.626 10.359 11.995
509 2HB SER 61 1HB SER 61 1.083 10.666 13.646
510 HG SER 61 HG SER 61 3.572 9.507 12.910
511 H LEU 62 H LEU 62 0.420 6.864 11.420
512 HA LEU 62 HA LEU 62 -2.354 7.837 11.272
513 1HB LEU 62 2HB LEU 62 -0.593 7.077 8.935
514 2HB LEU 62 1HB LEU 62 -2.311 7.403 8.826
515 HG LEU 62 HG LEU 62 -0.265 9.433 9.724
516 1HD1 LEU 62 1HD1 LEU 62 -1.583 9.098 7.034
517 2HD1 LEU 62 2HD1 LEU 62 0.114 8.787 7.403
518 3HD1 LEU 62 3HD1 LEU 62 -0.528 10.425 7.517
519 1HD2 LEU 62 1HD2 LEU 62 -2.519 9.840 10.567
520 2HD2 LEU 62 2HD2 LEU 62 -3.162 9.706 8.929
521 3HD2 LEU 62 3HD2 LEU 62 -2.077 11.031 9.346
522 H ALA 63 H ALA 63 -0.152 5.242 10.235
523 HA ALA 63 HA ALA 63 -2.006 3.261 11.310
524 1HB ALA 63 1HB ALA 63 -1.941 1.900 9.285
525 2HB ALA 63 2HB ALA 63 -0.980 3.134 8.471
526 3HB ALA 63 3HB ALA 63 -2.642 3.484 8.947
527 H ASP 64 H ASP 64 -0.981 1.405 12.025
528 HA ASP 64 HA ASP 64 1.791 1.792 12.618
529 1HB ASP 64 2HB ASP 64 1.606 -0.237 13.964
530 2HB ASP 64 1HB ASP 64 0.267 0.853 14.297
531 HA PRO 65 HA PRO 65 3.395 -0.836 9.361
532 1HB PRO 65 2HB PRO 65 5.981 -0.370 10.607
533 2HB PRO 65 1HB PRO 65 5.397 0.183 9.035
534 1HG PRO 65 2HG PRO 65 5.861 1.872 11.114
535 2HG PRO 65 1HG PRO 65 4.624 2.179 9.880
536 1HD PRO 65 2HD PRO 65 4.308 1.046 12.640
537 2HD PRO 65 1HD PRO 65 3.315 2.260 11.801
538 H ALA 66 H ALA 66 4.029 -2.969 9.354
539 HA ALA 66 HA ALA 66 3.745 -4.377 11.837
540 1HB ALA 66 1HB ALA 66 3.923 -6.390 10.521
541 2HB ALA 66 2HB ALA 66 4.498 -5.468 9.132
542 3HB ALA 66 3HB ALA 66 2.846 -5.248 9.715
543 H SER 67 H SER 67 6.293 -4.786 9.396
544 HA SER 67 HA SER 67 8.175 -5.498 11.475
545 1HB SER 67 2HB SER 67 8.628 -5.448 8.491
546 2HB SER 67 1HB SER 67 9.470 -6.403 9.702
547 HG SER 67 HG SER 67 7.613 -7.620 10.019
548 H ASP 68 H ASP 68 10.394 -4.594 11.398
549 HA ASP 68 HA ASP 68 10.553 -1.810 11.360
550 1HB ASP 68 2HB ASP 68 12.794 -3.808 10.964
551 2HB ASP 68 1HB ASP 68 12.981 -2.135 11.448
552 H ILE 69 H ILE 69 12.364 -3.914 9.212
553 HA ILE 69 HA ILE 69 11.315 -2.529 6.859
554 HB ILE 69 HB ILE 69 13.564 -2.629 5.788
555 1HG1 ILE 69 2HG1 ILE 69 14.533 -3.225 8.588
556 2HG1 ILE 69 1HG1 ILE 69 14.542 -4.354 7.242
557 1HG2 ILE 69 1HG2 ILE 69 12.793 -0.519 6.679
558 2HG2 ILE 69 2HG2 ILE 69 14.533 -0.679 6.921
559 3HG2 ILE 69 3HG2 ILE 69 13.428 -0.930 8.272
560 1HD1 ILE 69 1HD1 ILE 69 16.122 -2.928 6.053
561 2HD1 ILE 69 2HD1 ILE 69 16.749 -3.422 7.626
562 3HD1 ILE 69 3HD1 ILE 69 16.111 -1.792 7.403
563 H LYS 70 H LYS 70 10.847 -3.957 5.230
564 HA LYS 70 HA LYS 70 11.577 -6.752 5.760
565 1HB LYS 70 2HB LYS 70 9.671 -7.477 4.598
566 2HB LYS 70 1HB LYS 70 9.111 -6.110 5.541
567 1HG LYS 70 2HG LYS 70 8.105 -5.678 3.551
568 2HG LYS 70 1HG LYS 70 9.606 -4.786 3.328
569 1HD LYS 70 2HD LYS 70 9.334 -5.972 1.329
570 2HD LYS 70 1HD LYS 70 10.502 -6.920 2.243
571 1HE LYS 70 2HE LYS 70 7.545 -7.514 2.127
572 2HE LYS 70 1HE LYS 70 8.753 -8.272 1.093
573 1HZ LYS 70 1HZ LYS 70 8.310 -9.723 2.897
574 2HZ LYS 70 2HZ LYS 70 8.524 -8.495 4.045
575 3HZ LYS 70 3HZ LYS 70 9.854 -9.071 3.164
576 H THR 71 H THR 71 12.532 -7.995 4.153
577 HA THR 71 HA THR 71 14.034 -6.319 2.300
578 HB THR 71 HB THR 71 15.511 -8.301 2.106
579 HG1 THR 71 HG1 THR 71 14.445 -10.039 2.882
580 1HG2 THR 71 1HG2 THR 71 16.560 -7.924 4.339
581 2HG2 THR 71 2HG2 THR 71 15.109 -7.046 4.825
582 3HG2 THR 71 3HG2 THR 71 16.114 -6.429 3.516
583 H CYS 72 H CYS 72 12.941 -6.125 0.552
584 HA CYS 72 HA CYS 72 11.302 -8.261 -0.512
585 1HB CYS 72 2HB CYS 72 10.520 -5.865 -0.405
586 2HB CYS 72 1HB CYS 72 11.666 -5.511 -1.693
587 HG CYS 72 HG CYS 72 8.636 -6.860 -1.871
588 H ASP 73 H ASP 73 11.310 -8.260 -3.044
589 HA ASP 73 HA ASP 73 14.058 -8.151 -4.080
590 1HB ASP 73 2HB ASP 73 13.403 -10.498 -3.803
591 2HB ASP 73 1HB ASP 73 11.937 -10.214 -4.734
592 H HIS 74 H HIS 74 10.739 -7.314 -4.417
593 HA HIS 74 HA HIS 74 10.965 -6.852 -7.296
594 1HB HIS 74 2HB HIS 74 8.556 -6.907 -5.476
595 2HB HIS 74 1HB HIS 74 8.486 -6.532 -7.191
596 HD1 HIS 74 HD1 HIS 74 6.952 -8.614 -7.566
597 HD2 HIS 74 HD2 HIS 74 10.760 -9.502 -6.151
598 HE1 HIS 74 HE1 HIS 74 7.212 -11.098 -7.825
599 HE2 HIS 74 HE2 HIS 74 9.600 -11.571 -7.181
600 H TYR 75 H TYR 75 10.478 -5.096 -4.279
601 HA TYR 75 HA TYR 75 9.558 -2.700 -5.579
602 1HB TYR 75 2HB TYR 75 10.675 -2.791 -2.782
603 2HB TYR 75 1HB TYR 75 9.479 -1.689 -3.442
604 HD1 TYR 75 HD1 TYR 75 7.933 -4.199 -4.758
605 HD2 TYR 75 HD2 TYR 75 9.253 -3.156 -0.851
606 HE1 TYR 75 HE1 TYR 75 6.167 -5.605 -3.785
607 HE2 TYR 75 HE2 TYR 75 7.495 -4.559 0.128
608 HH TYR 75 HH TYR 75 5.179 -5.419 -0.658
609 H GLN 76 H GLN 76 11.194 -2.105 -7.068
610 HA GLN 76 HA GLN 76 13.914 -2.042 -6.439
611 1HB GLN 76 2HB GLN 76 14.112 -0.565 -8.451
612 2HB GLN 76 1HB GLN 76 13.312 -2.098 -8.727
613 1HG GLN 76 2HG GLN 76 11.138 -0.943 -8.638
614 2HG GLN 76 1HG GLN 76 11.985 0.588 -8.425
615 1HE2 GLN 76 1HE2 GLN 76 11.193 -1.962 -10.657
616 2HE2 GLN 76 2HE2 GLN 76 11.682 -1.127 -12.088
617 H ASN 77 H ASN 77 11.662 0.712 -6.663
618 HA ASN 77 HA ASN 77 11.821 2.862 -5.963
619 1HB ASN 77 2HB ASN 77 12.830 1.386 -3.534
620 2HB ASN 77 1HB ASN 77 12.485 3.110 -3.531
621 1HD2 ASN 77 1HD2 ASN 77 11.165 -0.081 -3.599
622 2HD2 ASN 77 2HD2 ASN 77 9.522 0.375 -3.320
623 H PHE 78 H PHE 78 14.467 2.256 -3.873
624 HA PHE 78 HA PHE 78 16.534 3.352 -5.478
625 1HB PHE 78 2HB PHE 78 15.053 5.200 -3.628
626 2HB PHE 78 1HB PHE 78 16.750 5.461 -4.003
627 HD1 PHE 78 HD1 PHE 78 17.322 5.533 -6.562
628 HD2 PHE 78 HD2 PHE 78 13.450 6.206 -4.926
629 HE1 PHE 78 HE1 PHE 78 16.682 6.770 -8.590
630 HE2 PHE 78 HE2 PHE 78 12.803 7.440 -6.952
631 HZ PHE 78 HZ PHE 78 14.423 7.728 -8.786
632 HA PRO 79 HA PRO 79 17.843 3.167 -0.743
633 1HB PRO 79 2HB PRO 79 15.613 1.547 0.348
634 2HB PRO 79 1HB PRO 79 16.446 2.942 1.046
635 1HG PRO 79 2HG PRO 79 14.013 3.235 0.067
636 2HG PRO 79 1HG PRO 79 15.253 4.460 -0.265
637 1HD PRO 79 2HD PRO 79 14.303 2.224 -2.019
638 2HD PRO 79 1HD PRO 79 14.529 3.941 -2.418
639 H LEU 80 H LEU 80 17.339 0.829 -2.934
640 HA LEU 80 HA LEU 80 17.695 -1.672 -2.010
641 1HB LEU 80 2HB LEU 80 17.872 -1.060 -4.370
642 2HB LEU 80 1HB LEU 80 19.407 -0.287 -4.081
643 HG LEU 80 HG LEU 80 19.320 -2.604 -5.214
644 1HD1 LEU 80 1HD1 LEU 80 21.487 -3.177 -4.277
645 2HD1 LEU 80 2HD1 LEU 80 21.211 -2.069 -2.934
646 3HD1 LEU 80 3HD1 LEU 80 21.365 -1.443 -4.577
647 1HD2 LEU 80 1HD2 LEU 80 17.906 -3.710 -3.595
648 2HD2 LEU 80 2HD2 LEU 80 19.074 -3.381 -2.315
649 3HD2 LEU 80 3HD2 LEU 80 19.496 -4.472 -3.636
650 H TYR 81 H TYR 81 18.799 -2.526 -0.422
651 HA TYR 81 HA TYR 81 20.530 -0.974 1.157
652 1HB TYR 81 2HB TYR 81 18.953 -2.916 1.807
653 2HB TYR 81 1HB TYR 81 20.292 -3.968 1.367
654 HD1 TYR 81 HD1 TYR 81 18.794 -2.105 3.962
655 HD2 TYR 81 HD2 TYR 81 22.574 -3.462 2.556
656 HE1 TYR 81 HE1 TYR 81 19.728 -1.814 6.214
657 HE2 TYR 81 HE2 TYR 81 23.518 -3.174 4.808
658 HH TYR 81 HH TYR 81 21.711 -2.873 7.533
659 H LEU 82 H LEU 82 22.568 -0.477 0.687
660 HA LEU 82 HA LEU 82 24.272 -2.322 -0.771
661 1HB LEU 82 2HB LEU 82 24.531 0.486 0.202
662 2HB LEU 82 1HB LEU 82 26.005 -0.435 -0.016
663 HG LEU 82 HG LEU 82 25.548 0.920 -1.978
664 1HD1 LEU 82 1HD1 LEU 82 25.102 -2.012 -2.498
665 2HD1 LEU 82 2HD1 LEU 82 26.660 -1.210 -2.311
666 3HD1 LEU 82 3HD1 LEU 82 25.628 -0.822 -3.687
667 1HD2 LEU 82 1HD2 LEU 82 22.980 -0.637 -2.217
668 2HD2 LEU 82 2HD2 LEU 82 23.600 0.533 -3.380
669 3HD2 LEU 82 3HD2 LEU 82 23.115 1.063 -1.769
670 H GLY 83 H GLY 83 24.182 -4.064 0.744
671 1HA GLY 83 2HA GLY 83 25.622 -3.548 3.265
672 2HA GLY 83 1HA GLY 83 24.458 -4.839 3.025
673 H GLY 84 H GLY 84 27.219 -3.807 1.071
674 1HA GLY 84 2HA GLY 84 29.218 -4.871 0.623
675 2HA GLY 84 1HA GLY 84 28.837 -6.027 1.890
676 H GLU 85 H GLU 85 27.558 -7.853 1.381
677 HA GLU 85 HA GLU 85 28.127 -8.794 -1.301
678 1HB GLU 85 2HB GLU 85 28.601 -10.195 0.693
679 2HB GLU 85 1HB GLU 85 26.880 -10.249 1.039
680 1HG GLU 85 2HG GLU 85 27.613 -12.289 -0.032
681 2HG GLU 85 1HG GLU 85 26.485 -11.415 -1.067
682 H THR 86 H THR 86 25.257 -9.225 0.749
683 HA THR 86 HA THR 86 23.583 -9.443 -1.584
684 HB THR 86 HB THR 86 23.081 -10.919 0.237
685 HG1 THR 86 HG1 THR 86 20.985 -9.087 0.596
686 1HG2 THR 86 1HG2 THR 86 22.389 -10.104 2.449
687 2HG2 THR 86 2HG2 THR 86 22.741 -8.452 1.946
688 3HG2 THR 86 3HG2 THR 86 24.044 -9.634 2.068
689 H HIS 87 H HIS 87 22.003 -8.015 -2.253
690 HA HIS 87 HA HIS 87 21.715 -5.543 -0.682
691 1HB HIS 87 2HB HIS 87 21.529 -5.574 -3.709
692 2HB HIS 87 1HB HIS 87 21.492 -4.193 -2.640
693 HD1 HIS 87 HD1 HIS 87 23.579 -5.029 -5.045
694 HD2 HIS 87 HD2 HIS 87 24.251 -4.801 -0.944
695 HE1 HIS 87 HE1 HIS 87 26.051 -4.646 -4.777
696 HE2 HIS 87 HE2 HIS 87 26.414 -4.352 -2.300
697 H GLU 88 H GLU 88 19.800 -5.662 0.194
698 HA GLU 88 HA GLU 88 17.597 -6.870 -1.331
699 1HB GLU 88 2HB GLU 88 16.501 -6.796 1.037
700 2HB GLU 88 1HB GLU 88 17.640 -8.066 0.628
701 1HG GLU 88 2HG GLU 88 18.522 -5.560 2.012
702 2HG GLU 88 1HG GLU 88 17.850 -6.922 2.904
703 H HIS 89 H HIS 89 16.027 -5.691 -2.057
704 HA HIS 89 HA HIS 89 15.896 -2.862 -1.579
705 1HB HIS 89 2HB HIS 89 13.947 -4.745 -2.940
706 2HB HIS 89 1HB HIS 89 13.793 -2.995 -2.925
707 HD1 HIS 89 HD1 HIS 89 15.219 -1.672 -4.583
708 HD2 HIS 89 HD2 HIS 89 15.980 -5.761 -4.622
709 HE1 HIS 89 HE1 HIS 89 16.636 -2.079 -6.622
710 HE2 HIS 89 HE2 HIS 89 17.056 -4.562 -6.649
711 H TYR 90 H TYR 90 15.303 -2.254 0.490
712 HA TYR 90 HA TYR 90 13.274 -3.894 1.806
713 1HB TYR 90 2HB TYR 90 13.983 -2.865 3.903
714 2HB TYR 90 1HB TYR 90 15.346 -3.576 3.055
715 HD1 TYR 90 HD1 TYR 90 13.747 -0.411 4.054
716 HD2 TYR 90 HD2 TYR 90 17.165 -2.219 2.281
717 HE1 TYR 90 HE1 TYR 90 14.977 1.708 4.279
718 HE2 TYR 90 HE2 TYR 90 18.400 -0.105 2.502
719 HH TYR 90 HH TYR 90 17.401 2.403 4.462
720 H GLY 91 H GLY 91 11.487 -3.062 2.822
721 1HA GLY 91 2HA GLY 91 10.806 -0.250 2.377
722 2HA GLY 91 1HA GLY 91 9.744 -1.467 1.674
723 H ILE 92 H ILE 92 8.509 0.140 3.368
724 HA ILE 92 HA ILE 92 8.631 -1.072 6.046
725 HB ILE 92 HB ILE 92 7.141 1.435 5.267
726 1HG1 ILE 92 2HG1 ILE 92 9.528 1.734 4.750
727 2HG1 ILE 92 1HG1 ILE 92 9.053 2.711 6.133
728 1HG2 ILE 92 1HG2 ILE 92 8.105 0.386 7.921
729 2HG2 ILE 92 2HG2 ILE 92 6.436 0.404 7.347
730 3HG2 ILE 92 3HG2 ILE 92 7.279 1.921 7.663
731 1HD1 ILE 92 1HD1 ILE 92 11.229 1.684 6.460
732 2HD1 ILE 92 2HD1 ILE 92 10.517 0.084 6.258
733 3HD1 ILE 92 3HD1 ILE 92 10.061 1.085 7.637
734 HA PRO 93 HA PRO 93 4.867 -3.175 4.710
735 1HB PRO 93 2HB PRO 93 5.084 -4.627 7.226
736 2HB PRO 93 1HB PRO 93 5.242 -5.233 5.577
737 1HG PRO 93 2HG PRO 93 7.338 -5.069 7.290
738 2HG PRO 93 1HG PRO 93 7.512 -4.905 5.534
739 1HD PRO 93 2HD PRO 93 7.425 -2.773 7.639
740 2HD PRO 93 1HD PRO 93 8.470 -2.899 6.206
741 H HIS 94 H HIS 94 2.741 -2.942 5.219
742 HA HIS 94 HA HIS 94 2.014 -1.790 7.818
743 1HB HIS 94 2HB HIS 94 1.283 -0.655 5.112
744 2HB HIS 94 1HB HIS 94 0.414 -0.252 6.586
745 HD1 HIS 94 HD1 HIS 94 3.921 -0.009 5.165
746 HD2 HIS 94 HD2 HIS 94 1.437 1.850 7.919
747 HE1 HIS 94 HE1 HIS 94 5.189 2.004 5.956
748 HE2 HIS 94 HE2 HIS 94 3.538 3.249 7.408
749 H GLY 95 H GLY 95 -0.512 -1.542 7.793
750 1HA GLY 95 2HA GLY 95 -2.057 -3.317 6.233
751 2HA GLY 95 1HA GLY 95 -1.645 -4.070 7.770
752 H PHE 96 H PHE 96 -4.279 -3.511 7.073
753 HA PHE 96 HA PHE 96 -4.964 -1.265 8.835
754 1HB PHE 96 2HB PHE 96 -6.215 -1.770 6.122
755 2HB PHE 96 1HB PHE 96 -6.641 -0.475 7.236
756 HD1 PHE 96 HD1 PHE 96 -5.091 1.388 7.610
757 HD2 PHE 96 HD2 PHE 96 -4.300 -1.642 4.736
758 HE1 PHE 96 HE1 PHE 96 -3.386 2.821 6.571
759 HE2 PHE 96 HE2 PHE 96 -2.593 -0.219 3.692
760 HZ PHE 96 HZ PHE 96 -2.135 2.016 4.611
761 H SER 97 H SER 97 -7.698 -1.358 8.457
762 HA SER 97 HA SER 97 -8.585 -4.091 8.895
763 1HB SER 97 2HB SER 97 -9.665 -3.328 11.099
764 2HB SER 97 1HB SER 97 -7.922 -3.599 11.121
765 HG SER 97 HG SER 97 -7.561 -1.488 11.296
766 H SER 98 H SER 98 -9.019 -1.450 7.266
767 HA SER 98 HA SER 98 -11.746 -1.800 6.705
768 1HB SER 98 2HB SER 98 -12.016 -0.657 8.893
769 2HB SER 98 1HB SER 98 -11.083 0.707 8.276
770 HG SER 98 HG SER 98 -13.704 0.039 7.856
771 H ARG 99 H ARG 99 -12.349 -0.693 4.852
772 HA ARG 99 HA ARG 99 -10.303 0.121 3.104
773 1HB ARG 99 2HB ARG 99 -13.293 0.517 3.002
774 2HB ARG 99 1HB ARG 99 -12.223 1.014 1.700
775 1HG ARG 99 2HG ARG 99 -11.471 -1.324 1.465
776 2HG ARG 99 1HG ARG 99 -12.624 -1.791 2.717
777 1HD ARG 99 2HD ARG 99 -14.475 -1.134 1.377
778 2HD ARG 99 1HD ARG 99 -13.423 -0.363 0.192
779 HE ARG 99 HE ARG 99 -12.927 -3.180 0.521
780 1HH1 ARG 99 1HH1 ARG 99 -14.955 -0.813 -1.077
781 2HH1 ARG 99 2HH1 ARG 99 -15.244 -1.814 -2.470
782 1HH2 ARG 99 1HH2 ARG 99 -13.302 -4.502 -1.290
783 2HH2 ARG 99 2HH2 ARG 99 -14.329 -3.930 -2.582
784 H ILE 100 H ILE 100 -12.518 1.973 5.137
785 HA ILE 100 HA ILE 100 -11.926 4.522 4.134
786 HB ILE 100 HB ILE 100 -13.844 4.117 5.595
787 1HG1 ILE 100 2HG1 ILE 100 -13.614 6.109 7.048
788 2HG1 ILE 100 1HG1 ILE 100 -11.881 6.116 6.740
789 1HG2 ILE 100 1HG2 ILE 100 -11.792 3.758 7.765
790 2HG2 ILE 100 2HG2 ILE 100 -12.879 2.524 7.127
791 3HG2 ILE 100 3HG2 ILE 100 -13.531 3.897 8.026
792 1HD1 ILE 100 1HD1 ILE 100 -13.049 7.766 5.388
793 2HD1 ILE 100 2HD1 ILE 100 -14.030 6.486 4.669
794 3HD1 ILE 100 3HD1 ILE 100 -12.291 6.531 4.383
795 H ALA 101 H ALA 101 -10.234 2.529 6.494
796 HA ALA 101 HA ALA 101 -8.506 4.571 7.437
797 1HB ALA 101 1HB ALA 101 -8.121 1.575 7.386
798 2HB ALA 101 2HB ALA 101 -8.806 2.522 8.707
799 3HB ALA 101 3HB ALA 101 -7.106 2.714 8.271
800 H LEU 102 H LEU 102 -8.207 2.096 4.910
801 HA LEU 102 HA LEU 102 -5.636 2.857 4.026
802 1HB LEU 102 2HB LEU 102 -6.610 0.742 3.377
803 2HB LEU 102 1HB LEU 102 -7.929 1.554 2.560
804 HG LEU 102 HG LEU 102 -6.397 2.403 0.864
805 1HD1 LEU 102 1HD1 LEU 102 -4.065 1.707 0.807
806 2HD1 LEU 102 2HD1 LEU 102 -4.262 0.883 2.354
807 3HD1 LEU 102 3HD1 LEU 102 -4.407 2.638 2.266
808 1HD2 LEU 102 1HD2 LEU 102 -5.822 0.276 -0.193
809 2HD2 LEU 102 2HD2 LEU 102 -7.435 0.225 0.517
810 3HD2 LEU 102 3HD2 LEU 102 -6.085 -0.561 1.336
811 H GLU 103 H GLU 103 -8.869 3.956 3.206
812 HA GLU 103 HA GLU 103 -8.293 5.688 1.094
813 1HB GLU 103 2HB GLU 103 -10.567 4.971 2.208
814 2HB GLU 103 1HB GLU 103 -10.310 6.395 3.205
815 1HG GLU 103 2HG GLU 103 -10.041 7.679 1.029
816 2HG GLU 103 1HG GLU 103 -10.714 6.247 0.245
817 H ARG 104 H ARG 104 -8.559 6.384 4.564
818 HA ARG 104 HA ARG 104 -7.707 9.083 4.346
819 1HB ARG 104 2HB ARG 104 -7.773 7.302 6.794
820 2HB ARG 104 1HB ARG 104 -7.651 9.058 6.793
821 1HG ARG 104 2HG ARG 104 -9.859 9.103 5.605
822 2HG ARG 104 1HG ARG 104 -9.978 7.379 5.911
823 1HD ARG 104 2HD ARG 104 -9.597 9.438 8.072
824 2HD ARG 104 1HD ARG 104 -11.170 8.835 7.558
825 HE ARG 104 HE ARG 104 -9.358 6.742 8.286
826 1HH1 ARG 104 1HH1 ARG 104 -11.648 9.096 9.509
827 2HH1 ARG 104 2HH1 ARG 104 -12.006 8.185 10.943
828 1HH2 ARG 104 1HH2 ARG 104 -9.849 5.528 10.185
829 2HH2 ARG 104 2HH2 ARG 104 -10.986 6.181 11.335
830 H TYR 105 H TYR 105 -6.043 6.096 4.574
831 HA TYR 105 HA TYR 105 -3.575 7.015 5.605
832 1HB TYR 105 2HB TYR 105 -4.218 4.629 5.482
833 2HB TYR 105 1HB TYR 105 -4.122 4.704 3.727
834 HD1 TYR 105 HD1 TYR 105 -2.184 4.748 6.847
835 HD2 TYR 105 HD2 TYR 105 -2.008 4.639 2.600
836 HE1 TYR 105 HE1 TYR 105 0.193 4.131 6.968
837 HE2 TYR 105 HE2 TYR 105 0.370 4.023 2.706
838 HH TYR 105 HH TYR 105 2.257 4.244 4.296
839 H LEU 106 H LEU 106 -4.650 6.388 2.267
840 HA LEU 106 HA LEU 106 -2.406 7.420 0.951
841 1HB LEU 106 2HB LEU 106 -5.282 7.504 0.020
842 2HB LEU 106 1HB LEU 106 -3.862 7.636 -0.998
843 HG LEU 106 HG LEU 106 -4.638 5.175 0.574
844 1HD1 LEU 106 1HD1 LEU 106 -6.207 5.604 -1.231
845 2HD1 LEU 106 2HD1 LEU 106 -5.180 4.226 -1.626
846 3HD1 LEU 106 3HD1 LEU 106 -4.876 5.795 -2.371
847 1HD2 LEU 106 1HD2 LEU 106 -2.477 5.613 -1.491
848 2HD2 LEU 106 2HD2 LEU 106 -2.889 4.076 -0.729
849 3HD2 LEU 106 3HD2 LEU 106 -2.224 5.390 0.240
850 H ASN 107 H ASN 107 -5.391 8.912 2.004
851 HA ASN 107 HA ASN 107 -5.053 11.495 1.008
852 1HB ASN 107 2HB ASN 107 -7.132 10.503 1.994
853 2HB ASN 107 1HB ASN 107 -6.410 10.665 3.584
854 1HD2 ASN 107 1HD2 ASN 107 -8.845 11.823 2.404
855 2HD2 ASN 107 2HD2 ASN 107 -8.689 13.536 2.623
856 H GLY 108 H GLY 108 -4.453 10.357 4.322
857 1HA GLY 108 2HA GLY 108 -3.335 12.806 5.187
858 2HA GLY 108 1HA GLY 108 -3.258 11.279 6.044
859 H LEU 109 H LEU 109 -1.760 9.751 4.224
860 HA LEU 109 HA LEU 109 0.801 10.635 5.125
861 1HB LEU 109 2HB LEU 109 0.204 8.271 5.069
862 2HB LEU 109 1HB LEU 109 0.069 8.334 3.322
863 HG LEU 109 HG LEU 109 2.500 8.902 3.211
864 1HD1 LEU 109 1HD1 LEU 109 2.406 8.273 6.154
865 2HD1 LEU 109 2HD1 LEU 109 2.781 9.834 5.422
866 3HD1 LEU 109 3HD1 LEU 109 3.873 8.467 5.191
867 1HD2 LEU 109 1HD2 LEU 109 3.275 6.633 3.705
868 2HD2 LEU 109 2HD2 LEU 109 1.738 6.636 2.842
869 3HD2 LEU 109 3HD2 LEU 109 1.775 6.318 4.579
870 H PHE 110 H PHE 110 -0.607 10.220 1.879
871 HA PHE 110 HA PHE 110 1.841 11.285 0.723
872 1HB PHE 110 2HB PHE 110 -0.637 10.226 -0.648
873 2HB PHE 110 1HB PHE 110 0.883 10.644 -1.436
874 HD1 PHE 110 HD1 PHE 110 3.001 9.379 -0.576
875 HD2 PHE 110 HD2 PHE 110 -0.996 8.054 0.038
876 HE1 PHE 110 HE1 PHE 110 3.820 7.084 -0.193
877 HE2 PHE 110 HE2 PHE 110 -0.183 5.767 0.418
878 HZ PHE 110 HZ PHE 110 2.226 5.282 0.306
879 H GLY 111 H GLY 111 -1.591 12.128 0.947
880 1HA GLY 111 2HA GLY 111 -2.637 14.159 0.701
881 2HA GLY 111 1HA GLY 111 -1.050 14.909 0.788
882 H ASP 112 H ASP 112 -2.750 12.779 -1.514
883 HA ASP 112 HA ASP 112 -1.611 14.300 -3.699
884 1HB ASP 112 2HB ASP 112 -1.381 11.750 -3.452
885 2HB ASP 112 1HB ASP 112 -3.102 11.678 -3.796
Start of MODEL 15
1 1H MET 1 1HT MET 1 -11.247 -8.401 10.860
2 2H MET 1 2HT MET 1 -9.919 -9.045 11.691
3 3H MET 1 3HT MET 1 -11.233 -10.041 11.288
4 HA MET 1 HA MET 1 -9.352 -10.422 9.827
5 1HB MET 1 2HB MET 1 -10.556 -10.318 7.748
6 2HB MET 1 1HB MET 1 -11.722 -10.669 9.015
7 1HG MET 1 2HG MET 1 -11.244 -7.972 7.762
8 2HG MET 1 1HG MET 1 -12.573 -9.064 7.384
9 1HE MET 1 1HE MET 1 -14.196 -6.946 7.803
10 2HE MET 1 2HE MET 1 -12.811 -5.951 8.259
11 3HE MET 1 3HE MET 1 -14.224 -6.034 9.313
12 H TYR 2 H TYR 2 -8.126 -9.602 7.995
13 HA TYR 2 HA TYR 2 -7.727 -6.700 8.078
14 1HB TYR 2 2HB TYR 2 -5.924 -8.932 7.131
15 2HB TYR 2 1HB TYR 2 -5.578 -7.230 6.860
16 HD1 TYR 2 HD1 TYR 2 -4.877 -5.802 8.688
17 HD2 TYR 2 HD2 TYR 2 -5.716 -9.919 9.337
18 HE1 TYR 2 HE1 TYR 2 -3.719 -5.688 10.853
19 HE2 TYR 2 HE2 TYR 2 -4.568 -9.820 11.505
20 HH TYR 2 HH TYR 2 -3.633 -6.859 12.962
21 H LEU 3 H LEU 3 -6.916 -5.946 5.774
22 HA LEU 3 HA LEU 3 -9.032 -6.687 3.935
23 1HB LEU 3 2HB LEU 3 -6.882 -4.579 3.698
24 2HB LEU 3 1HB LEU 3 -8.217 -4.797 2.584
25 HG LEU 3 HG LEU 3 -8.390 -3.917 5.464
26 1HD1 LEU 3 1HD1 LEU 3 -7.659 -2.185 3.922
27 2HD1 LEU 3 2HD1 LEU 3 -9.296 -1.864 4.496
28 3HD1 LEU 3 3HD1 LEU 3 -9.041 -2.517 2.878
29 1HD2 LEU 3 1HD2 LEU 3 -10.611 -4.469 3.498
30 2HD2 LEU 3 2HD2 LEU 3 -10.807 -3.714 5.080
31 3HD2 LEU 3 3HD2 LEU 3 -10.262 -5.389 4.964
32 H ARG 4 H ARG 4 -8.785 -7.898 2.188
33 HA ARG 4 HA ARG 4 -6.550 -9.512 1.742
34 1HB ARG 4 2HB ARG 4 -8.696 -8.699 -0.227
35 2HB ARG 4 1HB ARG 4 -7.601 -10.060 -0.417
36 1HG ARG 4 2HG ARG 4 -8.585 -11.143 1.523
37 2HG ARG 4 1HG ARG 4 -9.661 -9.761 1.758
38 1HD ARG 4 2HD ARG 4 -10.647 -10.154 -0.442
39 2HD ARG 4 1HD ARG 4 -9.570 -11.525 -0.685
40 HE ARG 4 HE ARG 4 -11.287 -11.659 1.651
41 1HH1 ARG 4 1HH1 ARG 4 -10.725 -12.536 -1.690
42 2HH1 ARG 4 2HH1 ARG 4 -11.905 -13.815 -1.697
43 1HH2 ARG 4 1HH2 ARG 4 -12.848 -13.320 1.666
44 2HH2 ARG 4 2HH2 ARG 4 -13.126 -14.267 0.232
45 HA PRO 5 HA PRO 5 -3.619 -7.053 -0.514
46 1HB PRO 5 2HB PRO 5 -3.021 -8.888 -2.537
47 2HB PRO 5 1HB PRO 5 -2.226 -8.801 -0.960
48 1HG PRO 5 2HG PRO 5 -4.416 -10.604 -1.880
49 2HG PRO 5 1HG PRO 5 -3.056 -10.948 -0.798
50 1HD PRO 5 2HD PRO 5 -5.528 -10.571 0.158
51 2HD PRO 5 1HD PRO 5 -4.102 -9.976 1.035
52 H ASP 6 H ASP 6 -5.915 -8.935 -2.462
53 HA ASP 6 HA ASP 6 -6.003 -7.292 -4.725
54 1HB ASP 6 2HB ASP 6 -8.287 -8.886 -3.530
55 2HB ASP 6 1HB ASP 6 -8.174 -8.321 -5.191
56 H GLU 7 H GLU 7 -7.861 -7.225 -1.736
57 HA GLU 7 HA GLU 7 -9.711 -5.231 -2.428
58 1HB GLU 7 2HB GLU 7 -9.966 -6.810 -0.548
59 2HB GLU 7 1HB GLU 7 -8.650 -6.012 0.295
60 1HG GLU 7 2HG GLU 7 -10.790 -5.337 1.187
61 2HG GLU 7 1HG GLU 7 -9.968 -3.970 0.436
62 H VAL 8 H VAL 8 -6.589 -5.049 -0.732
63 HA VAL 8 HA VAL 8 -6.606 -2.297 -0.195
64 HB VAL 8 HB VAL 8 -4.208 -4.055 -0.770
65 1HG1 VAL 8 1HG1 VAL 8 -2.938 -2.406 0.523
66 2HG1 VAL 8 2HG1 VAL 8 -4.381 -1.400 0.654
67 3HG1 VAL 8 3HG1 VAL 8 -3.649 -1.692 -0.924
68 1HG2 VAL 8 1HG2 VAL 8 -5.540 -3.356 1.846
69 2HG2 VAL 8 2HG2 VAL 8 -4.047 -4.279 1.667
70 3HG2 VAL 8 3HG2 VAL 8 -5.566 -4.932 1.052
71 H ALA 9 H ALA 9 -5.286 -4.088 -2.964
72 HA ALA 9 HA ALA 9 -4.316 -1.892 -4.409
73 1HB ALA 9 1HB ALA 9 -3.734 -4.223 -4.912
74 2HB ALA 9 2HB ALA 9 -4.314 -3.366 -6.338
75 3HB ALA 9 3HB ALA 9 -5.374 -4.498 -5.498
76 H ARG 10 H ARG 10 -7.498 -3.384 -4.278
77 HA ARG 10 HA ARG 10 -8.721 -1.988 -6.369
78 1HB ARG 10 2HB ARG 10 -9.810 -3.178 -3.829
79 2HB ARG 10 1HB ARG 10 -10.849 -2.397 -5.012
80 1HG ARG 10 2HG ARG 10 -10.177 -3.995 -6.705
81 2HG ARG 10 1HG ARG 10 -9.061 -4.755 -5.567
82 1HD ARG 10 2HD ARG 10 -11.285 -5.911 -5.873
83 2HD ARG 10 1HD ARG 10 -10.829 -5.544 -4.209
84 HE ARG 10 HE ARG 10 -12.539 -3.985 -4.085
85 1HH1 ARG 10 1HH1 ARG 10 -12.241 -5.172 -7.376
86 2HH1 ARG 10 2HH1 ARG 10 -13.754 -4.495 -7.887
87 1HH2 ARG 10 1HH2 ARG 10 -14.503 -3.087 -4.756
88 2HH2 ARG 10 2HH2 ARG 10 -15.037 -3.280 -6.403
89 H VAL 11 H VAL 11 -8.651 -1.200 -2.881
90 HA VAL 11 HA VAL 11 -10.064 1.210 -3.091
91 HB VAL 11 HB VAL 11 -7.998 0.342 -1.061
92 1HG1 VAL 11 1HG1 VAL 11 -9.818 2.749 -0.990
93 2HG1 VAL 11 2HG1 VAL 11 -8.057 2.769 -1.073
94 3HG1 VAL 11 3HG1 VAL 11 -8.864 2.155 0.369
95 1HG2 VAL 11 1HG2 VAL 11 -11.010 0.459 -1.011
96 2HG2 VAL 11 2HG2 VAL 11 -9.987 0.016 0.357
97 3HG2 VAL 11 3HG2 VAL 11 -10.015 -0.998 -1.088
98 H LEU 12 H LEU 12 -6.606 0.532 -3.408
99 HA LEU 12 HA LEU 12 -5.704 3.163 -3.723
100 1HB LEU 12 2HB LEU 12 -4.691 0.615 -4.988
101 2HB LEU 12 1HB LEU 12 -3.840 2.145 -5.036
102 HG LEU 12 HG LEU 12 -4.510 0.628 -2.512
103 1HD1 LEU 12 1HD1 LEU 12 -1.893 0.921 -3.974
104 2HD1 LEU 12 2HD1 LEU 12 -2.864 -0.548 -3.878
105 3HD1 LEU 12 3HD1 LEU 12 -2.131 0.122 -2.420
106 1HD2 LEU 12 1HD2 LEU 12 -3.001 2.221 -1.440
107 2HD2 LEU 12 2HD2 LEU 12 -4.371 3.045 -2.187
108 3HD2 LEU 12 3HD2 LEU 12 -2.794 3.064 -2.975
109 H GLU 13 H GLU 13 -6.887 0.836 -6.135
110 HA GLU 13 HA GLU 13 -6.616 2.449 -8.407
111 1HB GLU 13 2HB GLU 13 -7.131 0.047 -8.496
112 2HB GLU 13 1HB GLU 13 -8.723 0.360 -7.818
113 1HG GLU 13 2HG GLU 13 -9.064 1.886 -9.846
114 2HG GLU 13 1HG GLU 13 -7.663 1.065 -10.525
115 H LYS 14 H LYS 14 -9.307 2.092 -6.141
116 HA LYS 14 HA LYS 14 -11.079 3.847 -7.463
117 1HB LYS 14 2HB LYS 14 -10.936 2.607 -4.762
118 2HB LYS 14 1HB LYS 14 -12.009 3.979 -4.969
119 1HG LYS 14 2HG LYS 14 -13.349 2.092 -5.351
120 2HG LYS 14 1HG LYS 14 -12.984 2.722 -6.957
121 1HD LYS 14 2HD LYS 14 -11.044 1.059 -6.977
122 2HD LYS 14 1HD LYS 14 -11.824 0.314 -5.580
123 1HE LYS 14 2HE LYS 14 -12.602 -0.900 -7.429
124 2HE LYS 14 1HE LYS 14 -13.918 0.203 -7.031
125 1HZ LYS 14 1HZ LYS 14 -13.619 0.244 -9.370
126 2HZ LYS 14 2HZ LYS 14 -11.943 0.468 -9.232
127 3HZ LYS 14 3HZ LYS 14 -13.008 1.713 -8.778
128 H ALA 15 H ALA 15 -8.490 4.365 -5.217
129 HA ALA 15 HA ALA 15 -9.110 7.123 -4.719
130 1HB ALA 15 1HB ALA 15 -6.943 7.210 -3.612
131 2HB ALA 15 2HB ALA 15 -6.539 5.620 -4.260
132 3HB ALA 15 3HB ALA 15 -7.855 5.790 -3.100
133 H GLY 16 H GLY 16 -7.956 5.543 -7.412
134 1HA GLY 16 2HA GLY 16 -7.585 6.738 -9.437
135 2HA GLY 16 1HA GLY 16 -6.964 8.086 -8.496
136 H PHE 17 H PHE 17 -5.831 4.979 -7.576
137 HA PHE 17 HA PHE 17 -3.179 5.649 -8.539
138 1HB PHE 17 2HB PHE 17 -4.270 3.504 -6.745
139 2HB PHE 17 1HB PHE 17 -2.637 3.413 -7.381
140 HD1 PHE 17 HD1 PHE 17 -4.875 5.766 -5.537
141 HD2 PHE 17 HD2 PHE 17 -0.915 4.325 -6.158
142 HE1 PHE 17 HE1 PHE 17 -4.076 7.164 -3.676
143 HE2 PHE 17 HE2 PHE 17 -0.110 5.727 -4.302
144 HZ PHE 17 HZ PHE 17 -1.690 7.147 -3.057
145 H THR 18 H THR 18 -1.836 3.946 -9.497
146 HA THR 18 HA THR 18 -3.315 2.318 -11.450
147 HB THR 18 HB THR 18 -0.871 3.791 -12.341
148 HG1 THR 18 HG1 THR 18 -3.144 5.006 -11.435
149 1HG2 THR 18 1HG2 THR 18 -3.487 3.083 -13.677
150 2HG2 THR 18 2HG2 THR 18 -1.992 2.159 -13.799
151 3HG2 THR 18 3HG2 THR 18 -2.079 3.786 -14.473
152 H VAL 19 H VAL 19 -2.025 0.551 -12.343
153 HA VAL 19 HA VAL 19 -0.009 -0.445 -10.561
154 HB VAL 19 HB VAL 19 -1.582 -1.955 -11.768
155 1HG1 VAL 19 1HG1 VAL 19 -1.173 -2.507 -14.106
156 2HG1 VAL 19 2HG1 VAL 19 0.066 -1.253 -14.191
157 3HG1 VAL 19 3HG1 VAL 19 -1.621 -0.812 -13.919
158 1HG2 VAL 19 1HG2 VAL 19 1.342 -2.446 -12.309
159 2HG2 VAL 19 2HG2 VAL 19 0.072 -3.669 -12.333
160 3HG2 VAL 19 3HG2 VAL 19 0.471 -2.841 -10.827
161 H ASP 20 H ASP 20 2.166 -0.474 -10.810
162 HA ASP 20 HA ASP 20 3.269 1.040 -13.088
163 1HB ASP 20 2HB ASP 20 3.669 1.937 -10.769
164 2HB ASP 20 1HB ASP 20 4.591 0.478 -10.423
165 H VAL 21 H VAL 21 3.865 -1.731 -10.970
166 HA VAL 21 HA VAL 21 5.049 -3.150 -13.224
167 HB VAL 21 HB VAL 21 6.992 -2.272 -12.096
168 1HG1 VAL 21 1HG1 VAL 21 5.892 -3.492 -9.567
169 2HG1 VAL 21 2HG1 VAL 21 6.013 -1.772 -9.928
170 3HG1 VAL 21 3HG1 VAL 21 7.477 -2.736 -9.741
171 1HG2 VAL 21 1HG2 VAL 21 6.600 -5.175 -11.378
172 2HG2 VAL 21 2HG2 VAL 21 8.149 -4.339 -11.481
173 3HG2 VAL 21 3HG2 VAL 21 7.165 -4.556 -12.929
174 H VAL 22 H VAL 22 4.166 -5.104 -13.405
175 HA VAL 22 HA VAL 22 2.683 -6.140 -11.088
176 HB VAL 22 HB VAL 22 1.341 -5.768 -13.098
177 1HG1 VAL 22 1HG1 VAL 22 1.643 -7.155 -15.097
178 2HG1 VAL 22 2HG1 VAL 22 3.133 -7.804 -14.410
179 3HG1 VAL 22 3HG1 VAL 22 3.019 -6.090 -14.812
180 1HG2 VAL 22 1HG2 VAL 22 1.691 -8.685 -12.427
181 2HG2 VAL 22 2HG2 VAL 22 0.285 -7.975 -13.221
182 3HG2 VAL 22 3HG2 VAL 22 0.681 -7.525 -11.561
183 H THR 23 H THR 23 3.407 -7.817 -10.032
184 HA THR 23 HA THR 23 5.059 -9.805 -11.427
185 HB THR 23 HB THR 23 6.344 -10.121 -9.282
186 HG1 THR 23 HG1 THR 23 4.760 -7.948 -8.572
187 1HG2 THR 23 1HG2 THR 23 6.605 -7.467 -10.688
188 2HG2 THR 23 2HG2 THR 23 7.369 -8.988 -11.157
189 3HG2 THR 23 3HG2 THR 23 7.839 -8.190 -9.654
190 H ASN 24 H ASN 24 4.922 -11.948 -10.482
191 HA ASN 24 HA ASN 24 2.217 -12.562 -9.754
192 1HB ASN 24 2HB ASN 24 3.829 -13.966 -11.188
193 2HB ASN 24 1HB ASN 24 4.541 -14.484 -9.664
194 1HD2 ASN 24 1HD2 ASN 24 3.944 -16.601 -9.802
195 2HD2 ASN 24 2HD2 ASN 24 2.299 -17.131 -9.728
196 H LYS 25 H LYS 25 4.396 -11.192 -7.938
197 HA LYS 25 HA LYS 25 3.827 -12.765 -5.512
198 1HB LYS 25 2HB LYS 25 6.155 -12.944 -6.527
199 2HB LYS 25 1HB LYS 25 6.363 -11.253 -6.122
200 1HG LYS 25 2HG LYS 25 6.243 -11.721 -3.789
201 2HG LYS 25 1HG LYS 25 5.776 -13.399 -4.102
202 1HD LYS 25 2HD LYS 25 7.907 -13.853 -5.133
203 2HD LYS 25 1HD LYS 25 8.370 -12.157 -5.011
204 1HE LYS 25 2HE LYS 25 9.476 -13.400 -3.289
205 2HE LYS 25 1HE LYS 25 8.270 -12.341 -2.569
206 1HZ LYS 25 1HZ LYS 25 8.412 -14.715 -1.715
207 2HZ LYS 25 2HZ LYS 25 7.666 -15.176 -3.171
208 3HZ LYS 25 3HZ LYS 25 6.875 -14.127 -2.097
209 H THR 26 H THR 26 3.655 -9.807 -7.139
210 HA THR 26 HA THR 26 2.907 -8.272 -4.851
211 HB THR 26 HB THR 26 5.640 -7.951 -6.076
212 HG1 THR 26 HG1 THR 26 4.865 -9.126 -3.942
213 1HG2 THR 26 1HG2 THR 26 5.869 -5.844 -4.822
214 2HG2 THR 26 2HG2 THR 26 4.145 -5.906 -4.448
215 3HG2 THR 26 3HG2 THR 26 4.683 -5.751 -6.121
216 H TYR 27 H TYR 27 1.741 -6.475 -5.466
217 HA TYR 27 HA TYR 27 1.717 -5.828 -8.340
218 1HB TYR 27 2HB TYR 27 -0.335 -5.330 -6.182
219 2HB TYR 27 1HB TYR 27 -0.439 -4.631 -7.789
220 HD1 TYR 27 HD1 TYR 27 -0.903 -7.622 -5.776
221 HD2 TYR 27 HD2 TYR 27 -0.834 -6.083 -9.742
222 HE1 TYR 27 HE1 TYR 27 -2.092 -9.622 -6.567
223 HE2 TYR 27 HE2 TYR 27 -2.018 -8.077 -10.542
224 HH TYR 27 HH TYR 27 -2.431 -10.385 -9.876
225 H GLY 28 H GLY 28 3.180 -4.267 -8.707
226 1HA GLY 28 2HA GLY 28 3.773 -2.196 -6.817
227 2HA GLY 28 1HA GLY 28 4.308 -2.266 -8.494
228 H TYR 29 H TYR 29 2.532 -0.525 -6.387
229 HA TYR 29 HA TYR 29 0.649 0.419 -8.449
230 1HB TYR 29 2HB TYR 29 0.214 -0.585 -5.769
231 2HB TYR 29 1HB TYR 29 -0.412 1.045 -5.931
232 HD1 TYR 29 HD1 TYR 29 -2.417 1.462 -7.179
233 HD2 TYR 29 HD2 TYR 29 -0.604 -2.389 -7.284
234 HE1 TYR 29 HE1 TYR 29 -4.429 0.554 -8.273
235 HE2 TYR 29 HE2 TYR 29 -2.605 -3.310 -8.379
236 HH TYR 29 HH TYR 29 -5.021 -2.758 -8.546
237 H ARG 30 H ARG 30 0.367 2.651 -8.631
238 HA ARG 30 HA ARG 30 1.714 4.430 -6.791
239 1HB ARG 30 2HB ARG 30 3.170 5.425 -8.546
240 2HB ARG 30 1HB ARG 30 3.609 3.784 -8.109
241 1HG ARG 30 2HG ARG 30 3.792 3.686 -10.379
242 2HG ARG 30 1HG ARG 30 2.131 3.151 -10.168
243 1HD ARG 30 2HD ARG 30 1.303 5.327 -10.752
244 2HD ARG 30 1HD ARG 30 2.938 5.991 -10.772
245 HE ARG 30 HE ARG 30 3.263 4.239 -12.644
246 1HH1 ARG 30 1HH1 ARG 30 0.323 6.042 -12.050
247 2HH1 ARG 30 2HH1 ARG 30 -0.156 6.066 -13.721
248 1HH2 ARG 30 1HH2 ARG 30 2.638 4.259 -14.842
249 2HH2 ARG 30 2HH2 ARG 30 1.152 5.041 -15.298
250 H ARG 31 H ARG 31 1.250 6.642 -7.112
251 HA ARG 31 HA ARG 31 -0.571 7.282 -9.337
252 1HB ARG 31 2HB ARG 31 -1.907 6.967 -7.224
253 2HB ARG 31 1HB ARG 31 -1.009 8.306 -6.522
254 1HG ARG 31 2HG ARG 31 -1.870 9.800 -8.242
255 2HG ARG 31 1HG ARG 31 -2.749 8.459 -8.975
256 1HD ARG 31 2HD ARG 31 -4.304 9.682 -7.663
257 2HD ARG 31 1HD ARG 31 -3.961 8.185 -6.800
258 HE ARG 31 HE ARG 31 -2.216 10.136 -5.843
259 1HH1 ARG 31 1HH1 ARG 31 -5.653 9.442 -5.849
260 2HH1 ARG 31 2HH1 ARG 31 -5.956 10.314 -4.375
261 1HH2 ARG 31 1HH2 ARG 31 -2.636 11.289 -3.882
262 2HH2 ARG 31 2HH2 ARG 31 -4.263 11.367 -3.287
263 H GLY 32 H GLY 32 1.335 8.120 -10.287
264 1HA GLY 32 2HA GLY 32 2.454 10.107 -10.872
265 2HA GLY 32 1HA GLY 32 2.097 10.752 -9.274
266 H GLU 33 H GLU 33 3.690 10.750 -7.828
267 HA GLU 33 HA GLU 33 6.064 9.145 -8.463
268 1HB GLU 33 2HB GLU 33 5.727 11.906 -7.401
269 2HB GLU 33 1HB GLU 33 7.149 10.988 -6.917
270 1HG GLU 33 2HG GLU 33 6.322 11.477 -9.766
271 2HG GLU 33 1HG GLU 33 7.515 12.433 -8.885
272 H ASN 34 H ASN 34 3.576 8.798 -6.554
273 HA ASN 34 HA ASN 34 5.198 7.929 -4.270
274 1HB ASN 34 2HB ASN 34 2.931 7.573 -3.135
275 2HB ASN 34 1HB ASN 34 3.455 9.229 -3.388
276 1HD2 ASN 34 1HD2 ASN 34 1.418 10.058 -3.284
277 2HD2 ASN 34 2HD2 ASN 34 0.240 9.814 -4.521
278 H TYR 35 H TYR 35 5.774 5.907 -4.192
279 HA TYR 35 HA TYR 35 4.321 3.964 -5.849
280 1HB TYR 35 2HB TYR 35 7.150 3.726 -4.815
281 2HB TYR 35 1HB TYR 35 6.365 2.705 -6.009
282 HD1 TYR 35 HD1 TYR 35 5.315 4.327 -8.032
283 HD2 TYR 35 HD2 TYR 35 8.792 5.045 -5.689
284 HE1 TYR 35 HE1 TYR 35 6.234 5.726 -9.834
285 HE2 TYR 35 HE2 TYR 35 9.717 6.449 -7.478
286 HH TYR 35 HH TYR 35 8.015 7.745 -9.891
287 H VAL 36 H VAL 36 3.365 2.278 -4.920
288 HA VAL 36 HA VAL 36 4.315 1.377 -2.290
289 HB VAL 36 HB VAL 36 1.979 0.815 -1.642
290 1HG1 VAL 36 1HG1 VAL 36 2.477 3.733 -2.198
291 2HG1 VAL 36 2HG1 VAL 36 2.992 2.831 -0.773
292 3HG1 VAL 36 3HG1 VAL 36 1.276 3.097 -1.076
293 1HG2 VAL 36 1HG2 VAL 36 0.984 0.739 -3.874
294 2HG2 VAL 36 2HG2 VAL 36 1.204 2.481 -4.036
295 3HG2 VAL 36 3HG2 VAL 36 0.103 1.838 -2.817
296 H TYR 37 H TYR 37 4.189 -0.865 -1.972
297 HA TYR 37 HA TYR 37 3.658 -2.398 -4.430
298 1HB TYR 37 2HB TYR 37 5.509 -3.070 -2.129
299 2HB TYR 37 1HB TYR 37 5.248 -4.064 -3.559
300 HD1 TYR 37 HD1 TYR 37 7.366 -1.722 -2.094
301 HD2 TYR 37 HD2 TYR 37 5.668 -2.752 -5.853
302 HE1 TYR 37 HE1 TYR 37 9.194 -0.544 -3.235
303 HE2 TYR 37 HE2 TYR 37 7.494 -1.578 -7.010
304 HH TYR 37 HH TYR 37 9.118 0.305 -6.464
305 H VAL 38 H VAL 38 1.770 -3.398 -4.314
306 HA VAL 38 HA VAL 38 0.624 -4.141 -1.769
307 HB VAL 38 HB VAL 38 -0.413 -4.741 -4.539
308 1HG1 VAL 38 1HG1 VAL 38 -2.558 -5.075 -3.423
309 2HG1 VAL 38 2HG1 VAL 38 -1.788 -4.789 -1.862
310 3HG1 VAL 38 3HG1 VAL 38 -1.337 -6.196 -2.824
311 1HG2 VAL 38 1HG2 VAL 38 -1.909 -2.822 -4.191
312 2HG2 VAL 38 2HG2 VAL 38 -0.211 -2.347 -4.218
313 3HG2 VAL 38 3HG2 VAL 38 -1.071 -2.462 -2.682
314 H ASN 39 H ASN 39 1.459 -5.804 -0.794
315 HA ASN 39 HA ASN 39 2.809 -7.930 -2.181
316 1HB ASN 39 2HB ASN 39 3.443 -6.924 0.071
317 2HB ASN 39 1HB ASN 39 2.073 -7.794 0.744
318 1HD2 ASN 39 1HD2 ASN 39 4.098 -9.019 -1.827
319 2HD2 ASN 39 2HD2 ASN 39 4.836 -10.290 -0.904
320 H ARG 40 H ARG 40 1.810 -9.728 -2.981
321 HA ARG 40 HA ARG 40 -0.879 -10.295 -1.986
322 1HB ARG 40 2HB ARG 40 -1.128 -11.836 -3.827
323 2HB ARG 40 1HB ARG 40 -0.517 -10.302 -4.427
324 1HG ARG 40 2HG ARG 40 1.724 -11.245 -4.582
325 2HG ARG 40 1HG ARG 40 1.124 -12.779 -3.947
326 1HD ARG 40 2HD ARG 40 0.174 -11.465 -6.488
327 2HD ARG 40 1HD ARG 40 1.345 -12.778 -6.405
328 HE ARG 40 HE ARG 40 -1.069 -13.473 -5.064
329 1HH1 ARG 40 1HH1 ARG 40 0.354 -13.192 -8.243
330 2HH1 ARG 40 2HH1 ARG 40 -0.746 -14.314 -8.982
331 1HH2 ARG 40 1HH2 ARG 40 -2.502 -14.959 -6.017
332 2HH2 ARG 40 2HH2 ARG 40 -2.377 -15.314 -7.713
333 H GLU 41 H GLU 41 1.967 -10.866 -0.828
334 HA GLU 41 HA GLU 41 1.652 -13.673 -0.127
335 1HB GLU 41 2HB GLU 41 3.668 -11.647 0.861
336 2HB GLU 41 1HB GLU 41 3.729 -13.383 1.119
337 1HG GLU 41 2HG GLU 41 4.095 -13.769 -1.224
338 2HG GLU 41 1HG GLU 41 3.886 -12.051 -1.570
339 H ALA 42 H ALA 42 -0.023 -11.135 0.694
340 HA ALA 42 HA ALA 42 0.138 -11.014 3.518
341 1HB ALA 42 1HB ALA 42 -2.162 -10.291 1.707
342 2HB ALA 42 2HB ALA 42 -0.851 -9.217 2.195
343 3HB ALA 42 3HB ALA 42 -1.988 -9.822 3.400
344 H ARG 43 H ARG 43 0.236 -13.204 4.086
345 HA ARG 43 HA ARG 43 -1.589 -15.198 3.459
346 1HB ARG 43 2HB ARG 43 -0.018 -14.898 6.025
347 2HB ARG 43 1HB ARG 43 -0.678 -16.395 5.377
348 1HG ARG 43 2HG ARG 43 0.821 -16.327 3.514
349 2HG ARG 43 1HG ARG 43 1.379 -14.715 3.965
350 1HD ARG 43 2HD ARG 43 3.027 -16.316 4.645
351 2HD ARG 43 1HD ARG 43 2.242 -15.669 6.085
352 HE ARG 43 HE ARG 43 1.044 -18.100 5.134
353 1HH1 ARG 43 1HH1 ARG 43 3.616 -16.749 7.107
354 2HH1 ARG 43 2HH1 ARG 43 3.800 -18.188 8.074
355 1HH2 ARG 43 1HH2 ARG 43 1.306 -19.989 6.380
356 2HH2 ARG 43 2HH2 ARG 43 2.496 -20.035 7.649
357 H MET 44 H MET 44 -1.710 -12.747 5.966
358 HA MET 44 HA MET 44 -4.388 -13.728 6.708
359 1HB MET 44 2HB MET 44 -2.469 -12.103 8.391
360 2HB MET 44 1HB MET 44 -4.061 -12.651 8.892
361 1HG MET 44 2HG MET 44 -1.718 -14.415 8.216
362 2HG MET 44 1HG MET 44 -2.291 -14.028 9.836
363 1HE MET 44 1HE MET 44 -2.365 -16.664 10.360
364 2HE MET 44 2HE MET 44 -1.816 -16.998 8.717
365 3HE MET 44 3HE MET 44 -3.236 -17.825 9.357
366 H GLY 45 H GLY 45 -3.335 -11.790 4.597
367 1HA GLY 45 2HA GLY 45 -4.042 -9.830 3.626
368 2HA GLY 45 1HA GLY 45 -5.340 -9.784 4.810
369 H ARG 46 H ARG 46 -2.202 -10.018 6.110
370 HA ARG 46 HA ARG 46 -2.581 -7.498 7.435
371 1HB ARG 46 2HB ARG 46 -1.754 -9.565 8.567
372 2HB ARG 46 1HB ARG 46 -0.262 -9.419 7.648
373 1HG ARG 46 2HG ARG 46 0.202 -7.282 8.720
374 2HG ARG 46 1HG ARG 46 -1.313 -7.400 9.622
375 1HD ARG 46 2HD ARG 46 -0.485 -9.535 10.597
376 2HD ARG 46 1HD ARG 46 1.060 -9.248 9.801
377 HE ARG 46 HE ARG 46 0.315 -7.021 11.403
378 1HH1 ARG 46 1HH1 ARG 46 1.585 -10.284 11.558
379 2HH1 ARG 46 2HH1 ARG 46 2.413 -10.032 13.066
380 1HH2 ARG 46 1HH2 ARG 46 1.369 -6.692 13.413
381 2HH2 ARG 46 2HH2 ARG 46 2.250 -7.998 14.148
382 H THR 47 H THR 47 0.428 -8.759 6.003
383 HA THR 47 HA THR 47 1.426 -6.090 5.723
384 HB THR 47 HB THR 47 3.420 -7.350 4.723
385 HG1 THR 47 HG1 THR 47 2.764 -9.315 4.164
386 1HG2 THR 47 1HG2 THR 47 4.137 -8.184 6.934
387 2HG2 THR 47 2HG2 THR 47 2.480 -8.012 7.520
388 3HG2 THR 47 3HG2 THR 47 3.399 -6.585 7.038
389 H ALA 48 H ALA 48 -0.789 -6.325 4.058
390 HA ALA 48 HA ALA 48 -0.013 -7.034 1.391
391 1HB ALA 48 1HB ALA 48 -2.438 -5.519 2.331
392 2HB ALA 48 2HB ALA 48 -2.315 -7.273 2.167
393 3HB ALA 48 3HB ALA 48 -2.207 -6.241 0.740
394 H LEU 49 H LEU 49 -0.248 -3.992 3.181
395 HA LEU 49 HA LEU 49 0.408 -2.559 0.705
396 1HB LEU 49 2HB LEU 49 -1.565 -1.746 1.940
397 2HB LEU 49 1HB LEU 49 -0.545 -1.419 3.330
398 HG LEU 49 HG LEU 49 0.743 0.208 1.965
399 1HD1 LEU 49 1HD1 LEU 49 -0.223 0.975 -0.163
400 2HD1 LEU 49 2HD1 LEU 49 -1.385 -0.351 -0.095
401 3HD1 LEU 49 3HD1 LEU 49 0.340 -0.695 -0.239
402 1HD2 LEU 49 1HD2 LEU 49 -1.050 0.984 3.406
403 2HD2 LEU 49 2HD2 LEU 49 -2.222 0.718 2.112
404 3HD2 LEU 49 3HD2 LEU 49 -0.971 1.947 1.931
405 H ILE 50 H ILE 50 2.488 -2.446 0.394
406 HA ILE 50 HA ILE 50 4.231 -1.726 2.659
407 HB ILE 50 HB ILE 50 4.910 -3.298 0.166
408 1HG1 ILE 50 2HG1 ILE 50 4.795 -4.221 3.042
409 2HG1 ILE 50 1HG1 ILE 50 3.465 -4.422 1.907
410 1HG2 ILE 50 1HG2 ILE 50 6.802 -1.988 0.908
411 2HG2 ILE 50 2HG2 ILE 50 7.070 -3.688 1.289
412 3HG2 ILE 50 3HG2 ILE 50 6.587 -2.564 2.560
413 1HD1 ILE 50 1HD1 ILE 50 4.717 -6.456 2.094
414 2HD1 ILE 50 2HD1 ILE 50 6.210 -5.616 1.678
415 3HD1 ILE 50 3HD1 ILE 50 4.925 -5.777 0.482
416 H ILE 51 H ILE 51 5.035 0.270 2.531
417 HA ILE 51 HA ILE 51 4.797 1.666 -0.043
418 HB ILE 51 HB ILE 51 4.647 3.719 1.140
419 1HG1 ILE 51 2HG1 ILE 51 5.346 2.206 3.667
420 2HG1 ILE 51 1HG1 ILE 51 6.442 3.258 2.784
421 1HG2 ILE 51 1HG2 ILE 51 2.580 2.499 1.163
422 2HG2 ILE 51 2HG2 ILE 51 2.763 3.322 2.713
423 3HG2 ILE 51 3HG2 ILE 51 3.079 1.591 2.592
424 1HD1 ILE 51 1HD1 ILE 51 4.986 5.163 3.246
425 2HD1 ILE 51 2HD1 ILE 51 5.518 4.375 4.732
426 3HD1 ILE 51 3HD1 ILE 51 3.884 4.106 4.128
427 H HIS 52 H HIS 52 6.411 3.417 -0.411
428 HA HIS 52 HA HIS 52 9.089 2.540 -0.306
429 1HB HIS 52 2HB HIS 52 8.276 4.139 -1.993
430 2HB HIS 52 1HB HIS 52 7.948 5.324 -0.737
431 HD1 HIS 52 HD1 HIS 52 10.123 6.291 0.512
432 HD2 HIS 52 HD2 HIS 52 10.818 4.225 -3.030
433 HE1 HIS 52 HE1 HIS 52 12.462 6.909 -0.163
434 HE2 HIS 52 HE2 HIS 52 12.887 5.604 -2.295
435 HA PRO 53 HA PRO 53 10.379 3.749 3.856
436 1HB PRO 53 2HB PRO 53 12.984 4.405 3.083
437 2HB PRO 53 1HB PRO 53 12.435 2.818 3.628
438 1HG PRO 53 2HG PRO 53 12.841 3.836 0.856
439 2HG PRO 53 1HG PRO 53 13.149 2.222 1.517
440 1HD PRO 53 2HD PRO 53 11.012 2.711 -0.012
441 2HD PRO 53 1HD PRO 53 10.915 1.605 1.376
442 H ARG 54 H ARG 54 12.238 5.684 4.399
443 HA ARG 54 HA ARG 54 12.473 7.865 4.819
444 1HB ARG 54 2HB ARG 54 12.650 9.417 3.108
445 2HB ARG 54 1HB ARG 54 13.022 7.888 2.341
446 1HG ARG 54 2HG ARG 54 11.706 8.911 0.770
447 2HG ARG 54 1HG ARG 54 10.526 7.927 1.631
448 1HD ARG 54 2HD ARG 54 9.551 10.058 1.327
449 2HD ARG 54 1HD ARG 54 10.008 9.944 3.021
450 HE ARG 54 HE ARG 54 11.734 11.497 2.653
451 1HH1 ARG 54 1HH1 ARG 54 9.804 10.881 -0.204
452 2HH1 ARG 54 2HH1 ARG 54 10.355 12.297 -1.048
453 1HH2 ARG 54 1HH2 ARG 54 12.470 13.372 1.545
454 2HH2 ARG 54 2HH2 ARG 54 11.882 13.700 -0.063
455 H LEU 55 H LEU 55 9.349 6.943 3.600
456 HA LEU 55 HA LEU 55 8.017 9.174 4.904
457 1HB LEU 55 2HB LEU 55 7.153 6.915 3.135
458 2HB LEU 55 1HB LEU 55 5.960 7.779 4.086
459 HG LEU 55 HG LEU 55 7.815 9.101 2.110
460 1HD1 LEU 55 1HD1 LEU 55 5.848 9.237 0.653
461 2HD1 LEU 55 2HD1 LEU 55 4.929 8.265 1.804
462 3HD1 LEU 55 3HD1 LEU 55 6.311 7.566 0.962
463 1HD2 LEU 55 1HD2 LEU 55 5.393 10.044 3.637
464 2HD2 LEU 55 2HD2 LEU 55 6.179 10.951 2.344
465 3HD2 LEU 55 3HD2 LEU 55 7.057 10.600 3.834
466 H LYS 56 H LYS 56 9.462 6.786 6.263
467 HA LYS 56 HA LYS 56 7.554 5.171 7.536
468 1HB LYS 56 2HB LYS 56 10.030 4.747 7.439
469 2HB LYS 56 1HB LYS 56 10.235 5.996 8.659
470 1HG LYS 56 2HG LYS 56 8.942 4.714 10.244
471 2HG LYS 56 1HG LYS 56 8.611 3.486 9.018
472 1HD LYS 56 2HD LYS 56 11.048 3.059 8.854
473 2HD LYS 56 1HD LYS 56 11.306 4.214 10.166
474 1HE LYS 56 2HE LYS 56 9.888 2.827 11.630
475 2HE LYS 56 1HE LYS 56 9.697 1.660 10.322
476 1HZ LYS 56 1HZ LYS 56 11.394 0.923 11.825
477 2HZ LYS 56 2HZ LYS 56 12.237 2.389 11.682
478 3HZ LYS 56 3HZ LYS 56 12.124 1.343 10.354
479 H ASP 57 H ASP 57 9.288 8.000 8.808
480 HA ASP 57 HA ASP 57 7.893 8.247 11.209
481 1HB ASP 57 2HB ASP 57 9.957 9.415 10.890
482 2HB ASP 57 1HB ASP 57 9.321 10.286 9.502
483 H ARG 58 H ARG 58 7.197 9.572 8.021
484 HA ARG 58 HA ARG 58 5.025 11.221 8.774
485 1HB ARG 58 2HB ARG 58 6.147 11.553 6.663
486 2HB ARG 58 1HB ARG 58 5.744 9.925 6.139
487 1HG ARG 58 2HG ARG 58 4.307 11.445 5.010
488 2HG ARG 58 1HG ARG 58 3.344 10.569 6.200
489 1HD ARG 58 2HD ARG 58 3.457 12.462 7.716
490 2HD ARG 58 1HD ARG 58 4.490 13.332 6.581
491 HE ARG 58 HE ARG 58 1.874 12.507 5.606
492 1HH1 ARG 58 1HH1 ARG 58 3.898 15.055 6.879
493 2HH1 ARG 58 2HH1 ARG 58 2.849 16.337 6.349
494 1HH2 ARG 58 1HH2 ARG 58 0.495 14.177 4.870
495 2HH2 ARG 58 2HH2 ARG 58 0.910 15.833 5.196
496 H SER 59 H SER 59 5.065 8.021 7.211
497 HA SER 59 HA SER 59 2.292 7.629 7.232
498 1HB SER 59 2HB SER 59 3.535 6.296 5.750
499 2HB SER 59 1HB SER 59 4.639 5.758 7.012
500 HG SER 59 HG SER 59 2.232 5.010 7.773
501 H SER 60 H SER 60 4.720 6.987 9.668
502 HA SER 60 HA SER 60 3.334 5.153 11.250
503 1HB SER 60 2HB SER 60 5.736 5.662 11.481
504 2HB SER 60 1HB SER 60 5.336 7.256 12.114
505 HG SER 60 HG SER 60 5.444 6.233 13.954
506 H SER 61 H SER 61 3.060 8.643 11.049
507 HA SER 61 HA SER 61 1.628 9.003 13.481
508 1HB SER 61 2HB SER 61 1.653 10.760 11.015
509 2HB SER 61 1HB SER 61 1.167 11.244 12.640
510 HG SER 61 HG SER 61 3.577 10.194 12.856
511 H LEU 62 H LEU 62 0.765 7.714 10.466
512 HA LEU 62 HA LEU 62 -2.096 8.184 10.974
513 1HB LEU 62 2HB LEU 62 -0.693 7.370 8.427
514 2HB LEU 62 1HB LEU 62 -2.426 7.576 8.602
515 HG LEU 62 HG LEU 62 -0.387 9.777 8.948
516 1HD1 LEU 62 1HD1 LEU 62 -2.251 9.181 6.654
517 2HD1 LEU 62 2HD1 LEU 62 -0.493 9.037 6.638
518 3HD1 LEU 62 3HD1 LEU 62 -1.247 10.621 6.818
519 1HD2 LEU 62 1HD2 LEU 62 -2.405 10.117 10.274
520 2HD2 LEU 62 2HD2 LEU 62 -3.401 9.853 8.843
521 3HD2 LEU 62 3HD2 LEU 62 -2.333 11.254 8.929
522 H ALA 63 H ALA 63 -0.002 5.694 9.538
523 HA ALA 63 HA ALA 63 -1.521 3.650 11.007
524 1HB ALA 63 1HB ALA 63 -2.348 3.708 8.699
525 2HB ALA 63 2HB ALA 63 -1.500 2.200 9.044
526 3HB ALA 63 3HB ALA 63 -0.704 3.466 8.107
527 H ASP 64 H ASP 64 -0.263 2.240 12.040
528 HA ASP 64 HA ASP 64 2.572 2.647 12.030
529 1HB ASP 64 2HB ASP 64 2.627 1.071 13.849
530 2HB ASP 64 1HB ASP 64 1.221 2.105 14.078
531 HA PRO 65 HA PRO 65 3.731 -0.615 9.248
532 1HB PRO 65 2HB PRO 65 6.129 -1.343 10.278
533 2HB PRO 65 1HB PRO 65 5.890 0.166 9.392
534 1HG PRO 65 2HG PRO 65 6.038 -0.297 12.342
535 2HG PRO 65 1HG PRO 65 6.727 1.021 11.375
536 1HD PRO 65 2HD PRO 65 4.426 1.262 12.819
537 2HD PRO 65 1HD PRO 65 4.754 2.196 11.347
538 H ALA 66 H ALA 66 3.397 -2.765 9.085
539 HA ALA 66 HA ALA 66 2.270 -4.205 11.226
540 1HB ALA 66 1HB ALA 66 2.339 -6.139 9.728
541 2HB ALA 66 2HB ALA 66 3.400 -5.254 8.633
542 3HB ALA 66 3HB ALA 66 1.747 -4.702 8.894
543 H SER 67 H SER 67 5.389 -4.680 9.571
544 HA SER 67 HA SER 67 6.439 -5.942 11.951
545 1HB SER 67 2HB SER 67 8.334 -6.538 10.417
546 2HB SER 67 1HB SER 67 6.788 -7.258 9.999
547 HG SER 67 HG SER 67 8.075 -6.222 8.262
548 H ASP 68 H ASP 68 7.903 -4.200 9.563
549 HA ASP 68 HA ASP 68 8.286 -1.686 10.769
550 1HB ASP 68 2HB ASP 68 9.916 -3.020 12.167
551 2HB ASP 68 1HB ASP 68 10.780 -3.413 10.689
552 H ILE 69 H ILE 69 10.346 -3.860 8.962
553 HA ILE 69 HA ILE 69 9.609 -2.582 6.442
554 HB ILE 69 HB ILE 69 12.085 -2.987 5.765
555 1HG1 ILE 69 2HG1 ILE 69 12.479 -2.522 8.710
556 2HG1 ILE 69 1HG1 ILE 69 12.565 -4.122 7.997
557 1HG2 ILE 69 1HG2 ILE 69 11.325 -0.693 7.565
558 2HG2 ILE 69 2HG2 ILE 69 11.046 -0.791 5.827
559 3HG2 ILE 69 3HG2 ILE 69 12.695 -0.712 6.453
560 1HD1 ILE 69 1HD1 ILE 69 14.778 -3.190 8.295
561 2HD1 ILE 69 2HD1 ILE 69 14.334 -1.775 7.343
562 3HD1 ILE 69 3HD1 ILE 69 14.419 -3.361 6.578
563 H LYS 70 H LYS 70 9.843 -3.985 4.646
564 HA LYS 70 HA LYS 70 10.164 -6.820 5.382
565 1HB LYS 70 2HB LYS 70 7.806 -6.247 4.829
566 2HB LYS 70 1HB LYS 70 8.329 -5.725 3.234
567 1HG LYS 70 2HG LYS 70 8.951 -7.950 2.626
568 2HG LYS 70 1HG LYS 70 8.719 -8.524 4.279
569 1HD LYS 70 2HD LYS 70 6.324 -7.997 4.109
570 2HD LYS 70 1HD LYS 70 6.563 -7.459 2.449
571 1HE LYS 70 2HE LYS 70 7.193 -10.243 3.410
572 2HE LYS 70 1HE LYS 70 5.643 -9.784 2.712
573 1HZ LYS 70 1HZ LYS 70 8.287 -9.826 1.388
574 2HZ LYS 70 2HZ LYS 70 6.955 -9.027 0.722
575 3HZ LYS 70 3HZ LYS 70 6.898 -10.702 0.968
576 H THR 71 H THR 71 12.046 -7.446 4.672
577 HA THR 71 HA THR 71 13.160 -6.334 2.216
578 HB THR 71 HB THR 71 15.135 -7.821 2.921
579 HG1 THR 71 HG1 THR 71 14.862 -8.964 4.657
580 1HG2 THR 71 1HG2 THR 71 15.308 -5.461 3.159
581 2HG2 THR 71 2HG2 THR 71 15.853 -6.173 4.675
582 3HG2 THR 71 3HG2 THR 71 14.243 -5.460 4.564
583 H CYS 72 H CYS 72 12.760 -7.354 0.340
584 HA CYS 72 HA CYS 72 13.083 -10.037 -0.205
585 1HB CYS 72 2HB CYS 72 11.146 -10.219 1.466
586 2HB CYS 72 1HB CYS 72 10.151 -9.486 0.217
587 HG CYS 72 HG CYS 72 11.894 -12.300 -0.551
588 H ASP 73 H ASP 73 11.114 -10.618 -1.958
589 HA ASP 73 HA ASP 73 12.321 -9.366 -4.149
590 1HB ASP 73 2HB ASP 73 10.006 -11.267 -3.917
591 2HB ASP 73 1HB ASP 73 10.563 -10.652 -5.471
592 H HIS 74 H HIS 74 12.032 -7.430 -4.644
593 HA HIS 74 HA HIS 74 11.019 -6.164 -6.359
594 1HB HIS 74 2HB HIS 74 8.316 -7.007 -5.300
595 2HB HIS 74 1HB HIS 74 8.637 -6.095 -6.767
596 HD1 HIS 74 HD1 HIS 74 7.555 -9.245 -5.900
597 HD2 HIS 74 HD2 HIS 74 10.570 -7.937 -8.439
598 HE1 HIS 74 HE1 HIS 74 7.959 -11.147 -7.488
599 HE2 HIS 74 HE2 HIS 74 9.810 -10.348 -9.013
600 H TYR 75 H TYR 75 11.557 -5.642 -3.409
601 HA TYR 75 HA TYR 75 9.919 -3.202 -3.210
602 1HB TYR 75 2HB TYR 75 11.546 -4.481 -1.010
603 2HB TYR 75 1HB TYR 75 10.365 -3.183 -0.850
604 HD1 TYR 75 HD1 TYR 75 8.016 -4.005 -2.162
605 HD2 TYR 75 HD2 TYR 75 10.811 -6.419 -0.057
606 HE1 TYR 75 HE1 TYR 75 6.259 -5.673 -1.754
607 HE2 TYR 75 HE2 TYR 75 9.063 -8.086 0.357
608 HH TYR 75 HH TYR 75 6.082 -8.064 -1.256
609 H GLN 76 H GLN 76 11.798 -2.901 -5.036
610 HA GLN 76 HA GLN 76 14.399 -2.385 -4.246
611 1HB GLN 76 2HB GLN 76 14.331 -0.757 -6.303
612 2HB GLN 76 1HB GLN 76 14.272 -2.492 -6.520
613 1HG GLN 76 2HG GLN 76 11.774 -0.835 -6.407
614 2HG GLN 76 1HG GLN 76 12.686 -1.036 -7.895
615 1HE2 GLN 76 1HE2 GLN 76 9.987 -1.868 -7.176
616 2HE2 GLN 76 2HE2 GLN 76 9.934 -3.579 -7.426
617 H ASN 77 H ASN 77 12.112 0.214 -5.077
618 HA ASN 77 HA ASN 77 11.714 2.245 -4.210
619 1HB ASN 77 2HB ASN 77 12.833 0.964 -1.717
620 2HB ASN 77 1HB ASN 77 12.134 2.579 -1.751
621 1HD2 ASN 77 1HD2 ASN 77 11.520 -0.764 -1.573
622 2HD2 ASN 77 2HD2 ASN 77 9.793 -0.672 -1.573
623 H PHE 78 H PHE 78 14.681 1.233 -4.899
624 HA PHE 78 HA PHE 78 16.428 2.535 -5.665
625 1HB PHE 78 2HB PHE 78 15.363 4.677 -5.290
626 2HB PHE 78 1HB PHE 78 15.704 4.571 -3.567
627 HD1 PHE 78 HD1 PHE 78 17.773 5.263 -2.694
628 HD2 PHE 78 HD2 PHE 78 17.271 4.860 -6.901
629 HE1 PHE 78 HE1 PHE 78 19.931 6.387 -3.055
630 HE2 PHE 78 HE2 PHE 78 19.427 5.981 -7.269
631 HZ PHE 78 HZ PHE 78 20.760 6.748 -5.345
632 HA PRO 79 HA PRO 79 19.065 2.725 -1.702
633 1HB PRO 79 2HB PRO 79 17.431 1.558 0.456
634 2HB PRO 79 1HB PRO 79 18.410 3.029 0.453
635 1HG PRO 79 2HG PRO 79 15.753 3.181 0.415
636 2HG PRO 79 1HG PRO 79 16.733 4.297 -0.559
637 1HD PRO 79 2HD PRO 79 15.321 1.792 -1.415
638 2HD PRO 79 1HD PRO 79 15.316 3.398 -2.177
639 H LEU 80 H LEU 80 16.924 -0.059 -1.108
640 HA LEU 80 HA LEU 80 17.323 -2.318 -0.978
641 1HB LEU 80 2HB LEU 80 18.786 -1.709 -3.089
642 2HB LEU 80 1HB LEU 80 20.129 -1.952 -1.997
643 HG LEU 80 HG LEU 80 18.066 -4.044 -2.694
644 1HD1 LEU 80 1HD1 LEU 80 19.500 -3.479 -4.585
645 2HD1 LEU 80 2HD1 LEU 80 19.888 -5.079 -3.952
646 3HD1 LEU 80 3HD1 LEU 80 20.931 -3.706 -3.576
647 1HD2 LEU 80 1HD2 LEU 80 19.018 -4.339 -0.462
648 2HD2 LEU 80 2HD2 LEU 80 20.642 -4.251 -1.146
649 3HD2 LEU 80 3HD2 LEU 80 19.574 -5.588 -1.576
650 H TYR 81 H TYR 81 17.908 -3.522 0.809
651 HA TYR 81 HA TYR 81 19.640 -2.182 2.724
652 1HB TYR 81 2HB TYR 81 17.353 -3.496 3.153
653 2HB TYR 81 1HB TYR 81 18.464 -4.851 3.333
654 HD1 TYR 81 HD1 TYR 81 20.216 -4.780 5.109
655 HD2 TYR 81 HD2 TYR 81 17.187 -1.808 4.813
656 HE1 TYR 81 HE1 TYR 81 20.713 -4.052 7.405
657 HE2 TYR 81 HE2 TYR 81 17.673 -1.073 7.107
658 HH TYR 81 HH TYR 81 20.448 -1.905 8.739
659 H LEU 82 H LEU 82 21.716 -2.409 2.126
660 HA LEU 82 HA LEU 82 22.721 -4.984 1.208
661 1HB LEU 82 2HB LEU 82 23.946 -2.247 1.441
662 2HB LEU 82 1HB LEU 82 24.928 -3.663 1.126
663 HG LEU 82 HG LEU 82 23.352 -4.074 -0.869
664 1HD1 LEU 82 1HD1 LEU 82 22.769 -1.175 -0.326
665 2HD1 LEU 82 2HD1 LEU 82 21.616 -2.511 -0.301
666 3HD1 LEU 82 3HD1 LEU 82 22.381 -2.033 -1.818
667 1HD2 LEU 82 1HD2 LEU 82 25.677 -3.425 -1.101
668 2HD2 LEU 82 2HD2 LEU 82 25.246 -1.732 -0.862
669 3HD2 LEU 82 3HD2 LEU 82 24.678 -2.593 -2.292
670 H GLY 83 H GLY 83 22.358 -3.402 4.170
671 1HA GLY 83 2HA GLY 83 24.806 -4.239 5.415
672 2HA GLY 83 1HA GLY 83 23.414 -3.539 6.217
673 H GLY 84 H GLY 84 24.479 -6.531 4.668
674 1HA GLY 84 2HA GLY 84 24.106 -8.161 6.900
675 2HA GLY 84 1HA GLY 84 22.615 -8.223 5.968
676 H GLU 85 H GLU 85 25.765 -7.790 4.557
677 HA GLU 85 HA GLU 85 26.862 -8.836 2.899
678 1HB GLU 85 2HB GLU 85 27.283 -10.482 4.664
679 2HB GLU 85 1HB GLU 85 25.810 -11.328 4.222
680 1HG GLU 85 2HG GLU 85 26.709 -11.920 2.092
681 2HG GLU 85 1HG GLU 85 28.122 -10.897 2.352
682 H THR 86 H THR 86 24.183 -11.161 3.145
683 HA THR 86 HA THR 86 23.612 -11.040 0.359
684 HB THR 86 HB THR 86 21.420 -12.176 1.151
685 HG1 THR 86 HG1 THR 86 21.479 -11.554 3.323
686 1HG2 THR 86 1HG2 THR 86 22.567 -14.315 1.483
687 2HG2 THR 86 2HG2 THR 86 24.086 -13.463 1.760
688 3HG2 THR 86 3HG2 THR 86 23.312 -13.393 0.177
689 H HIS 87 H HIS 87 22.557 -9.437 -0.677
690 HA HIS 87 HA HIS 87 21.349 -7.376 0.999
691 1HB HIS 87 2HB HIS 87 21.665 -7.111 -1.979
692 2HB HIS 87 1HB HIS 87 21.643 -5.861 -0.748
693 HD1 HIS 87 HD1 HIS 87 23.871 -5.958 0.904
694 HD2 HIS 87 HD2 HIS 87 24.147 -7.708 -2.833
695 HE1 HIS 87 HE1 HIS 87 26.324 -6.083 0.409
696 HE2 HIS 87 HE2 HIS 87 26.465 -7.432 -1.714
697 H GLU 88 H GLU 88 19.262 -6.627 0.732
698 HA GLU 88 HA GLU 88 17.511 -7.969 -1.144
699 1HB GLU 88 2HB GLU 88 15.899 -8.451 0.824
700 2HB GLU 88 1HB GLU 88 17.225 -9.561 0.522
701 1HG GLU 88 2HG GLU 88 18.499 -8.153 2.272
702 2HG GLU 88 1HG GLU 88 16.899 -7.574 2.731
703 H HIS 89 H HIS 89 15.830 -6.749 -1.756
704 HA HIS 89 HA HIS 89 15.967 -3.961 -1.118
705 1HB HIS 89 2HB HIS 89 13.963 -5.512 -2.777
706 2HB HIS 89 1HB HIS 89 14.061 -3.760 -2.696
707 HD1 HIS 89 HD1 HIS 89 15.927 -2.605 -4.053
708 HD2 HIS 89 HD2 HIS 89 15.977 -6.757 -4.310
709 HE1 HIS 89 HE1 HIS 89 17.461 -3.148 -5.963
710 HE2 HIS 89 HE2 HIS 89 17.588 -5.661 -6.009
711 H TYR 90 H TYR 90 14.356 -2.688 -0.039
712 HA TYR 90 HA TYR 90 12.574 -4.283 1.659
713 1HB TYR 90 2HB TYR 90 13.278 -3.186 3.647
714 2HB TYR 90 1HB TYR 90 14.730 -3.736 2.828
715 HD1 TYR 90 HD1 TYR 90 13.022 -0.953 4.261
716 HD2 TYR 90 HD2 TYR 90 16.066 -2.006 1.480
717 HE1 TYR 90 HE1 TYR 90 13.945 1.319 4.419
718 HE2 TYR 90 HE2 TYR 90 16.995 0.267 1.632
719 HH TYR 90 HH TYR 90 16.140 2.442 4.053
720 H GLY 91 H GLY 91 10.675 -3.424 2.187
721 1HA GLY 91 2HA GLY 91 10.226 -0.544 1.739
722 2HA GLY 91 1HA GLY 91 9.065 -1.729 1.141
723 H ILE 92 H ILE 92 7.940 -0.013 2.798
724 HA ILE 92 HA ILE 92 8.117 -1.144 5.514
725 HB ILE 92 HB ILE 92 6.823 1.440 4.631
726 1HG1 ILE 92 2HG1 ILE 92 9.482 0.975 6.007
727 2HG1 ILE 92 1HG1 ILE 92 9.281 1.427 4.317
728 1HG2 ILE 92 1HG2 ILE 92 7.432 0.359 7.382
729 2HG2 ILE 92 2HG2 ILE 92 5.832 0.547 6.662
730 3HG2 ILE 92 3HG2 ILE 92 6.807 1.971 7.032
731 1HD1 ILE 92 1HD1 ILE 92 8.458 3.076 6.693
732 2HD1 ILE 92 2HD1 ILE 92 8.266 3.533 5.000
733 3HD1 ILE 92 3HD1 ILE 92 9.882 3.338 5.684
734 HA PRO 93 HA PRO 93 4.131 -2.897 4.390
735 1HB PRO 93 2HB PRO 93 4.210 -4.934 6.194
736 2HB PRO 93 1HB PRO 93 5.028 -4.977 4.631
737 1HG PRO 93 2HG PRO 93 6.161 -4.735 7.315
738 2HG PRO 93 1HG PRO 93 6.952 -5.184 5.800
739 1HD PRO 93 2HD PRO 93 6.989 -2.652 7.159
740 2HD PRO 93 1HD PRO 93 7.839 -3.117 5.674
741 H HIS 94 H HIS 94 2.097 -2.909 5.283
742 HA HIS 94 HA HIS 94 1.797 -1.983 8.067
743 1HB HIS 94 2HB HIS 94 0.244 -0.950 5.672
744 2HB HIS 94 1HB HIS 94 -0.019 -0.483 7.346
745 HD1 HIS 94 HD1 HIS 94 2.696 -0.260 4.700
746 HD2 HIS 94 HD2 HIS 94 1.372 1.718 8.105
747 HE1 HIS 94 HE1 HIS 94 4.112 1.803 4.878
748 HE2 HIS 94 HE2 HIS 94 3.128 3.099 6.807
749 H GLY 95 H GLY 95 -1.010 -1.871 7.993
750 1HA GLY 95 2HA GLY 95 -2.239 -3.940 6.509
751 2HA GLY 95 1HA GLY 95 -1.935 -4.487 8.157
752 H PHE 96 H PHE 96 -4.531 -4.174 7.072
753 HA PHE 96 HA PHE 96 -5.578 -2.023 8.735
754 1HB PHE 96 2HB PHE 96 -6.301 -2.224 5.803
755 2HB PHE 96 1HB PHE 96 -6.865 -1.014 6.950
756 HD1 PHE 96 HD1 PHE 96 -4.282 -1.965 4.645
757 HD2 PHE 96 HD2 PHE 96 -5.216 0.637 7.879
758 HE1 PHE 96 HE1 PHE 96 -2.362 -0.549 4.055
759 HE2 PHE 96 HE2 PHE 96 -3.298 2.059 7.293
760 HZ PHE 96 HZ PHE 96 -1.868 1.466 5.381
761 H SER 97 H SER 97 -7.379 -2.617 9.734
762 HA SER 97 HA SER 97 -8.597 -5.158 9.044
763 1HB SER 97 2HB SER 97 -9.957 -4.730 11.119
764 2HB SER 97 1HB SER 97 -8.214 -4.766 11.384
765 HG SER 97 HG SER 97 -8.487 -2.875 12.237
766 H SER 98 H SER 98 -9.106 -1.903 8.247
767 HA SER 98 HA SER 98 -11.744 -2.550 7.195
768 1HB SER 98 2HB SER 98 -11.254 -0.219 9.054
769 2HB SER 98 1HB SER 98 -12.738 -0.479 8.136
770 HG SER 98 HG SER 98 -11.964 -2.688 9.541
771 H ARG 99 H ARG 99 -12.438 -1.321 5.491
772 HA ARG 99 HA ARG 99 -10.482 -0.364 3.732
773 1HB ARG 99 2HB ARG 99 -13.474 -0.019 3.769
774 2HB ARG 99 1HB ARG 99 -12.466 0.587 2.464
775 1HG ARG 99 2HG ARG 99 -11.722 -1.666 1.964
776 2HG ARG 99 1HG ARG 99 -12.683 -2.297 3.306
777 1HD ARG 99 2HD ARG 99 -14.721 -1.563 2.248
778 2HD ARG 99 1HD ARG 99 -13.812 -0.771 0.962
779 HE ARG 99 HE ARG 99 -13.033 -3.065 0.340
780 1HH1 ARG 99 1HH1 ARG 99 -16.043 -2.600 2.089
781 2HH1 ARG 99 2HH1 ARG 99 -16.771 -4.057 1.474
782 1HH2 ARG 99 1HH2 ARG 99 -13.976 -4.986 -0.462
783 2HH2 ARG 99 2HH2 ARG 99 -15.609 -5.397 -0.002
784 H ILE 100 H ILE 100 -12.887 1.457 5.652
785 HA ILE 100 HA ILE 100 -12.127 3.981 4.696
786 HB ILE 100 HB ILE 100 -14.239 3.568 5.936
787 1HG1 ILE 100 2HG1 ILE 100 -12.436 5.748 7.003
788 2HG1 ILE 100 1HG1 ILE 100 -13.392 5.825 5.529
789 1HG2 ILE 100 1HG2 ILE 100 -14.205 3.611 8.390
790 2HG2 ILE 100 2HG2 ILE 100 -12.441 3.581 8.363
791 3HG2 ILE 100 3HG2 ILE 100 -13.357 2.200 7.759
792 1HD1 ILE 100 1HD1 ILE 100 -14.418 7.069 7.329
793 2HD1 ILE 100 2HD1 ILE 100 -14.476 5.610 8.318
794 3HD1 ILE 100 3HD1 ILE 100 -15.429 5.713 6.835
795 H ALA 101 H ALA 101 -10.796 2.019 7.274
796 HA ALA 101 HA ALA 101 -9.186 3.944 8.500
797 1HB ALA 101 1HB ALA 101 -8.590 1.016 8.035
798 2HB ALA 101 2HB ALA 101 -9.444 1.696 9.419
799 3HB ALA 101 3HB ALA 101 -7.738 2.065 9.170
800 H LEU 102 H LEU 102 -8.387 1.669 5.885
801 HA LEU 102 HA LEU 102 -5.958 2.806 5.098
802 1HB LEU 102 2HB LEU 102 -6.644 0.642 4.301
803 2HB LEU 102 1HB LEU 102 -8.061 1.318 3.524
804 HG LEU 102 HG LEU 102 -6.604 2.494 1.916
805 1HD1 LEU 102 1HD1 LEU 102 -4.376 0.994 3.282
806 2HD1 LEU 102 2HD1 LEU 102 -4.626 2.740 3.317
807 3HD1 LEU 102 3HD1 LEU 102 -4.232 1.934 1.797
808 1HD2 LEU 102 1HD2 LEU 102 -6.070 -0.467 2.097
809 2HD2 LEU 102 2HD2 LEU 102 -5.938 0.532 0.650
810 3HD2 LEU 102 3HD2 LEU 102 -7.512 0.274 1.403
811 H GLU 103 H GLU 103 -9.263 3.526 4.087
812 HA GLU 103 HA GLU 103 -8.891 5.310 2.028
813 1HB GLU 103 2HB GLU 103 -11.069 4.412 3.081
814 2HB GLU 103 1HB GLU 103 -10.930 5.754 4.199
815 1HG GLU 103 2HG GLU 103 -10.918 7.297 2.251
816 2HG GLU 103 1HG GLU 103 -11.253 5.905 1.218
817 H ARG 104 H ARG 104 -9.121 6.085 5.490
818 HA ARG 104 HA ARG 104 -8.692 8.862 5.183
819 1HB ARG 104 2HB ARG 104 -8.104 7.235 7.655
820 2HB ARG 104 1HB ARG 104 -8.462 8.954 7.566
821 1HG ARG 104 2HG ARG 104 -10.740 8.435 6.843
822 2HG ARG 104 1HG ARG 104 -10.372 6.715 6.935
823 1HD ARG 104 2HD ARG 104 -10.435 8.705 9.194
824 2HD ARG 104 1HD ARG 104 -11.522 7.340 8.937
825 HE ARG 104 HE ARG 104 -8.913 6.351 9.127
826 1HH1 ARG 104 1HH1 ARG 104 -11.361 7.854 11.112
827 2HH1 ARG 104 2HH1 ARG 104 -10.737 7.218 12.606
828 1HH2 ARG 104 1HH2 ARG 104 -8.066 5.493 11.100
829 2HH2 ARG 104 2HH2 ARG 104 -8.853 5.883 12.598
830 H TYR 105 H TYR 105 -6.482 6.180 5.874
831 HA TYR 105 HA TYR 105 -4.292 7.846 6.529
832 1HB TYR 105 2HB TYR 105 -4.331 4.944 5.682
833 2HB TYR 105 1HB TYR 105 -2.969 5.780 6.410
834 HD1 TYR 105 HD1 TYR 105 -4.575 3.286 7.419
835 HD2 TYR 105 HD2 TYR 105 -4.680 7.431 8.370
836 HE1 TYR 105 HE1 TYR 105 -5.469 2.750 9.645
837 HE2 TYR 105 HE2 TYR 105 -5.572 6.904 10.595
838 HH TYR 105 HH TYR 105 -5.689 3.683 11.827
839 H LEU 106 H LEU 106 -5.340 6.271 3.536
840 HA LEU 106 HA LEU 106 -3.158 6.996 1.928
841 1HB LEU 106 2HB LEU 106 -6.080 6.721 1.219
842 2HB LEU 106 1HB LEU 106 -4.804 6.935 0.038
843 HG LEU 106 HG LEU 106 -5.072 4.588 1.915
844 1HD1 LEU 106 1HD1 LEU 106 -5.551 4.823 -1.052
845 2HD1 LEU 106 2HD1 LEU 106 -6.786 4.605 0.185
846 3HD1 LEU 106 3HD1 LEU 106 -5.605 3.329 -0.117
847 1HD2 LEU 106 1HD2 LEU 106 -3.259 3.610 0.585
848 2HD2 LEU 106 2HD2 LEU 106 -2.740 5.081 1.407
849 3HD2 LEU 106 3HD2 LEU 106 -3.110 5.119 -0.317
850 H ASN 107 H ASN 107 -6.014 8.748 2.937
851 HA ASN 107 HA ASN 107 -5.846 10.954 1.228
852 1HB ASN 107 2HB ASN 107 -7.240 10.275 3.728
853 2HB ASN 107 1HB ASN 107 -6.962 11.995 3.513
854 1HD2 ASN 107 1HD2 ASN 107 -8.581 9.169 2.313
855 2HD2 ASN 107 2HD2 ASN 107 -9.667 10.001 1.253
856 H GLY 108 H GLY 108 -4.334 10.386 4.379
857 1HA GLY 108 2HA GLY 108 -3.245 13.085 4.388
858 2HA GLY 108 1HA GLY 108 -3.078 11.891 5.665
859 H LEU 109 H LEU 109 -2.133 9.806 3.842
860 HA LEU 109 HA LEU 109 0.648 10.537 3.992
861 1HB LEU 109 2HB LEU 109 -0.183 8.335 4.704
862 2HB LEU 109 1HB LEU 109 -0.641 7.982 3.049
863 HG LEU 109 HG LEU 109 1.696 8.010 2.357
864 1HD1 LEU 109 1HD1 LEU 109 2.293 8.595 5.256
865 2HD1 LEU 109 2HD1 LEU 109 2.520 9.707 3.903
866 3HD1 LEU 109 3HD1 LEU 109 3.487 8.235 4.008
867 1HD2 LEU 109 1HD2 LEU 109 0.777 5.908 3.147
868 2HD2 LEU 109 2HD2 LEU 109 1.198 6.323 4.808
869 3HD2 LEU 109 3HD2 LEU 109 2.471 6.044 3.618
870 H PHE 110 H PHE 110 -1.553 9.537 1.352
871 HA PHE 110 HA PHE 110 0.514 10.474 -0.537
872 1HB PHE 110 2HB PHE 110 -1.517 8.269 -0.938
873 2HB PHE 110 1HB PHE 110 -0.363 8.822 -2.143
874 HD1 PHE 110 HD1 PHE 110 -1.009 6.300 0.080
875 HD2 PHE 110 HD2 PHE 110 2.166 8.863 -1.126
876 HE1 PHE 110 HE1 PHE 110 0.625 4.654 0.898
877 HE2 PHE 110 HE2 PHE 110 3.806 7.222 -0.309
878 HZ PHE 110 HZ PHE 110 3.037 5.115 0.703
879 H GLY 111 H GLY 111 -2.387 11.312 0.701
880 1HA GLY 111 2HA GLY 111 -3.985 11.772 -1.588
881 2HA GLY 111 1HA GLY 111 -4.215 12.502 -0.007
882 H ASP 112 H ASP 112 -2.507 14.266 0.485
883 HA ASP 112 HA ASP 112 -1.672 16.238 0.139
884 1HB ASP 112 2HB ASP 112 -0.242 15.461 -1.532
885 2HB ASP 112 1HB ASP 112 -1.522 15.409 -2.724
Start of MODEL 16
1 1H MET 1 1HT MET 1 -9.884 -5.616 12.470
2 2H MET 1 2HT MET 1 -8.750 -6.446 13.413
3 3H MET 1 3HT MET 1 -10.356 -6.972 13.370
4 HA MET 1 HA MET 1 -8.930 -8.386 12.031
5 1HB MET 1 2HB MET 1 -10.823 -6.682 10.391
6 2HB MET 1 1HB MET 1 -10.229 -8.272 9.939
7 1HG MET 1 2HG MET 1 -11.352 -9.221 11.909
8 2HG MET 1 1HG MET 1 -12.001 -7.623 12.281
9 1HE MET 1 1HE MET 1 -12.434 -6.620 9.215
10 2HE MET 1 2HE MET 1 -13.592 -6.273 10.501
11 3HE MET 1 3HE MET 1 -14.143 -6.993 8.987
12 H TYR 2 H TYR 2 -8.332 -8.241 9.452
13 HA TYR 2 HA TYR 2 -6.857 -5.759 8.973
14 1HB TYR 2 2HB TYR 2 -5.930 -8.570 8.488
15 2HB TYR 2 1HB TYR 2 -5.165 -7.183 7.731
16 HD1 TYR 2 HD1 TYR 2 -3.655 -5.809 8.937
17 HD2 TYR 2 HD2 TYR 2 -5.854 -8.835 10.957
18 HE1 TYR 2 HE1 TYR 2 -2.256 -5.486 10.929
19 HE2 TYR 2 HE2 TYR 2 -4.468 -8.522 12.952
20 HH TYR 2 HH TYR 2 -2.256 -5.855 13.251
21 H LEU 3 H LEU 3 -6.046 -6.016 6.476
22 HA LEU 3 HA LEU 3 -8.523 -6.511 4.976
23 1HB LEU 3 2HB LEU 3 -6.326 -4.509 4.463
24 2HB LEU 3 1HB LEU 3 -7.628 -4.841 3.338
25 HG LEU 3 HG LEU 3 -7.936 -3.688 6.112
26 1HD1 LEU 3 1HD1 LEU 3 -6.990 -2.117 4.495
27 2HD1 LEU 3 2HD1 LEU 3 -8.635 -1.668 4.945
28 3HD1 LEU 3 3HD1 LEU 3 -8.324 -2.447 3.392
29 1HD2 LEU 3 1HD2 LEU 3 -10.009 -4.249 3.994
30 2HD2 LEU 3 2HD2 LEU 3 -10.290 -3.414 5.523
31 3HD2 LEU 3 3HD2 LEU 3 -9.824 -5.116 5.516
32 H ARG 4 H ARG 4 -8.480 -8.069 3.562
33 HA ARG 4 HA ARG 4 -6.304 -9.695 2.935
34 1HB ARG 4 2HB ARG 4 -8.668 -10.326 2.672
35 2HB ARG 4 1HB ARG 4 -8.836 -9.163 1.376
36 1HG ARG 4 2HG ARG 4 -7.367 -10.449 -0.036
37 2HG ARG 4 1HG ARG 4 -7.047 -11.577 1.284
38 1HD ARG 4 2HD ARG 4 -9.244 -12.404 1.263
39 2HD ARG 4 1HD ARG 4 -9.833 -11.052 0.299
40 HE ARG 4 HE ARG 4 -7.918 -12.929 -0.896
41 1HH1 ARG 4 1HH1 ARG 4 -11.163 -11.635 -0.711
42 2HH1 ARG 4 2HH1 ARG 4 -11.663 -12.305 -2.233
43 1HH2 ARG 4 1HH2 ARG 4 -8.564 -13.800 -2.927
44 2HH2 ARG 4 2HH2 ARG 4 -10.189 -13.513 -3.501
45 HA PRO 5 HA PRO 5 -3.727 -7.302 0.299
46 1HB PRO 5 2HB PRO 5 -2.994 -9.347 -1.474
47 2HB PRO 5 1HB PRO 5 -2.183 -8.953 0.044
48 1HG PRO 5 2HG PRO 5 -4.202 -11.069 -0.535
49 2HG PRO 5 1HG PRO 5 -2.805 -11.110 0.557
50 1HD PRO 5 2HD PRO 5 -5.298 -10.833 1.497
51 2HD PRO 5 1HD PRO 5 -3.939 -9.973 2.242
52 H ASP 6 H ASP 6 -6.041 -9.455 -1.264
53 HA ASP 6 HA ASP 6 -6.105 -8.278 -3.801
54 1HB ASP 6 2HB ASP 6 -7.147 -10.391 -3.535
55 2HB ASP 6 1HB ASP 6 -8.153 -9.815 -2.210
56 H GLU 7 H GLU 7 -7.961 -7.564 -0.882
57 HA GLU 7 HA GLU 7 -9.697 -5.637 -1.964
58 1HB GLU 7 2HB GLU 7 -9.994 -6.769 0.228
59 2HB GLU 7 1HB GLU 7 -8.636 -5.855 0.862
60 1HG GLU 7 2HG GLU 7 -10.577 -4.781 1.630
61 2HG GLU 7 1HG GLU 7 -9.940 -3.769 0.336
62 H VAL 8 H VAL 8 -6.558 -5.340 -0.349
63 HA VAL 8 HA VAL 8 -6.393 -2.574 -0.154
64 HB VAL 8 HB VAL 8 -4.097 -4.485 -0.639
65 1HG1 VAL 8 1HG1 VAL 8 -2.726 -2.806 0.481
66 2HG1 VAL 8 2HG1 VAL 8 -4.129 -1.749 0.633
67 3HG1 VAL 8 3HG1 VAL 8 -3.486 -2.135 -0.963
68 1HG2 VAL 8 1HG2 VAL 8 -5.347 -3.560 1.946
69 2HG2 VAL 8 2HG2 VAL 8 -3.896 -4.553 1.802
70 3HG2 VAL 8 3HG2 VAL 8 -5.452 -5.181 1.259
71 H ALA 9 H ALA 9 -5.270 -4.682 -2.787
72 HA ALA 9 HA ALA 9 -4.138 -2.683 -4.395
73 1HB ALA 9 1HB ALA 9 -5.379 -5.300 -5.232
74 2HB ALA 9 2HB ALA 9 -3.699 -5.047 -4.760
75 3HB ALA 9 3HB ALA 9 -4.323 -4.301 -6.230
76 H ARG 10 H ARG 10 -7.377 -4.117 -4.467
77 HA ARG 10 HA ARG 10 -8.329 -2.697 -6.687
78 1HB ARG 10 2HB ARG 10 -9.333 -4.754 -5.663
79 2HB ARG 10 1HB ARG 10 -9.973 -3.735 -4.383
80 1HG ARG 10 2HG ARG 10 -11.432 -2.624 -5.842
81 2HG ARG 10 1HG ARG 10 -10.587 -3.223 -7.274
82 1HD ARG 10 2HD ARG 10 -12.709 -4.407 -6.883
83 2HD ARG 10 1HD ARG 10 -11.314 -5.484 -6.789
84 HE ARG 10 HE ARG 10 -12.846 -4.470 -4.477
85 1HH1 ARG 10 1HH1 ARG 10 -10.642 -6.786 -5.916
86 2HH1 ARG 10 2HH1 ARG 10 -10.726 -7.896 -4.574
87 1HH2 ARG 10 1HH2 ARG 10 -12.989 -5.946 -2.725
88 2HH2 ARG 10 2HH2 ARG 10 -12.076 -7.420 -2.781
89 H VAL 11 H VAL 11 -8.383 -1.917 -3.231
90 HA VAL 11 HA VAL 11 -9.965 0.394 -3.374
91 HB VAL 11 HB VAL 11 -7.709 -0.268 -1.470
92 1HG1 VAL 11 1HG1 VAL 11 -9.740 1.960 -1.289
93 2HG1 VAL 11 2HG1 VAL 11 -8.007 2.153 -1.548
94 3HG1 VAL 11 3HG1 VAL 11 -8.603 1.500 -0.021
95 1HG2 VAL 11 1HG2 VAL 11 -9.503 -0.777 0.092
96 2HG2 VAL 11 2HG2 VAL 11 -9.639 -1.761 -1.364
97 3HG2 VAL 11 3HG2 VAL 11 -10.700 -0.370 -1.137
98 H LEU 12 H LEU 12 -6.464 -0.035 -3.732
99 HA LEU 12 HA LEU 12 -5.769 2.662 -3.971
100 1HB LEU 12 2HB LEU 12 -4.470 0.274 -5.285
101 2HB LEU 12 1HB LEU 12 -3.742 1.860 -5.112
102 HG LEU 12 HG LEU 12 -4.466 -0.020 -2.863
103 1HD1 LEU 12 1HD1 LEU 12 -1.795 0.891 -3.909
104 2HD1 LEU 12 2HD1 LEU 12 -2.505 -0.709 -4.135
105 3HD1 LEU 12 3HD1 LEU 12 -2.065 -0.158 -2.517
106 1HD2 LEU 12 1HD2 LEU 12 -3.140 2.684 -2.764
107 2HD2 LEU 12 2HD2 LEU 12 -3.399 1.600 -1.397
108 3HD2 LEU 12 3HD2 LEU 12 -4.780 2.319 -2.226
109 H GLU 13 H GLU 13 -6.583 0.298 -6.494
110 HA GLU 13 HA GLU 13 -6.252 1.968 -8.715
111 1HB GLU 13 2HB GLU 13 -6.841 -0.621 -8.426
112 2HB GLU 13 1HB GLU 13 -8.469 -0.027 -8.707
113 1HG GLU 13 2HG GLU 13 -6.142 0.436 -10.554
114 2HG GLU 13 1HG GLU 13 -7.328 -0.851 -10.736
115 H LYS 14 H LYS 14 -9.054 1.382 -6.651
116 HA LYS 14 HA LYS 14 -10.906 2.992 -8.055
117 1HB LYS 14 2HB LYS 14 -11.190 1.201 -6.153
118 2HB LYS 14 1HB LYS 14 -11.048 2.588 -5.096
119 1HG LYS 14 2HG LYS 14 -12.981 3.612 -6.025
120 2HG LYS 14 1HG LYS 14 -13.065 2.411 -7.314
121 1HD LYS 14 2HD LYS 14 -13.411 1.842 -4.369
122 2HD LYS 14 1HD LYS 14 -14.722 1.982 -5.543
123 1HE LYS 14 2HE LYS 14 -13.756 0.093 -6.801
124 2HE LYS 14 1HE LYS 14 -12.504 -0.065 -5.571
125 1HZ LYS 14 1HZ LYS 14 -14.288 -1.648 -5.216
126 2HZ LYS 14 2HZ LYS 14 -15.426 -0.398 -5.126
127 3HZ LYS 14 3HZ LYS 14 -14.229 -0.538 -3.934
128 H ALA 15 H ALA 15 -8.617 3.611 -5.498
129 HA ALA 15 HA ALA 15 -9.498 6.257 -4.886
130 1HB ALA 15 1HB ALA 15 -7.457 6.412 -3.553
131 2HB ALA 15 2HB ALA 15 -6.874 4.912 -4.275
132 3HB ALA 15 3HB ALA 15 -8.314 4.900 -3.257
133 H GLY 16 H GLY 16 -8.250 5.281 -7.705
134 1HA GLY 16 2HA GLY 16 -7.761 6.756 -9.464
135 2HA GLY 16 1HA GLY 16 -7.393 8.004 -8.290
136 H PHE 17 H PHE 17 -6.055 4.753 -8.338
137 HA PHE 17 HA PHE 17 -3.393 5.945 -8.599
138 1HB PHE 17 2HB PHE 17 -4.429 3.409 -7.408
139 2HB PHE 17 1HB PHE 17 -2.760 3.497 -7.946
140 HD1 PHE 17 HD1 PHE 17 -5.174 5.456 -5.881
141 HD2 PHE 17 HD2 PHE 17 -1.177 4.103 -6.404
142 HE1 PHE 17 HE1 PHE 17 -4.553 6.478 -3.734
143 HE2 PHE 17 HE2 PHE 17 -0.546 5.126 -4.259
144 HZ PHE 17 HZ PHE 17 -2.235 6.315 -2.920
145 H THR 18 H THR 18 -1.797 4.237 -9.569
146 HA THR 18 HA THR 18 -2.898 2.951 -11.961
147 HB THR 18 HB THR 18 -0.788 3.848 -13.177
148 HG1 THR 18 HG1 THR 18 -0.707 5.213 -10.800
149 1HG2 THR 18 1HG2 THR 18 -3.089 4.484 -13.765
150 2HG2 THR 18 2HG2 THR 18 -1.976 5.842 -13.933
151 3HG2 THR 18 3HG2 THR 18 -3.047 5.748 -12.535
152 H VAL 19 H VAL 19 -1.381 1.357 -12.878
153 HA VAL 19 HA VAL 19 0.374 0.260 -10.773
154 HB VAL 19 HB VAL 19 -1.514 -1.193 -11.346
155 1HG1 VAL 19 1HG1 VAL 19 -1.878 -0.465 -13.646
156 2HG1 VAL 19 2HG1 VAL 19 -1.725 -2.219 -13.543
157 3HG1 VAL 19 3HG1 VAL 19 -0.375 -1.248 -14.133
158 1HG2 VAL 19 1HG2 VAL 19 -0.287 -3.245 -11.815
159 2HG2 VAL 19 2HG2 VAL 19 0.578 -2.230 -10.661
160 3HG2 VAL 19 3HG2 VAL 19 1.105 -2.298 -12.342
161 H ASP 20 H ASP 20 2.526 0.005 -11.163
162 HA ASP 20 HA ASP 20 3.459 0.671 -13.868
163 1HB ASP 20 2HB ASP 20 5.610 1.120 -12.981
164 2HB ASP 20 1HB ASP 20 4.468 1.874 -11.878
165 H VAL 21 H VAL 21 3.438 -1.870 -11.492
166 HA VAL 21 HA VAL 21 4.412 -3.718 -13.523
167 HB VAL 21 HB VAL 21 6.372 -2.902 -12.180
168 1HG1 VAL 21 1HG1 VAL 21 4.944 -4.309 -9.932
169 2HG1 VAL 21 2HG1 VAL 21 5.442 -2.619 -10.012
170 3HG1 VAL 21 3HG1 VAL 21 6.657 -3.890 -9.903
171 1HG2 VAL 21 1HG2 VAL 21 7.344 -5.110 -11.869
172 2HG2 VAL 21 2HG2 VAL 21 6.437 -4.997 -13.376
173 3HG2 VAL 21 3HG2 VAL 21 5.740 -5.836 -11.988
174 H VAL 22 H VAL 22 3.548 -5.775 -13.333
175 HA VAL 22 HA VAL 22 1.987 -6.318 -10.912
176 HB VAL 22 HB VAL 22 0.365 -5.579 -12.552
177 1HG1 VAL 22 1HG1 VAL 22 1.566 -5.998 -14.603
178 2HG1 VAL 22 2HG1 VAL 22 -0.002 -6.806 -14.655
179 3HG1 VAL 22 3HG1 VAL 22 1.462 -7.738 -14.344
180 1HG2 VAL 22 1HG2 VAL 22 0.268 -8.571 -12.185
181 2HG2 VAL 22 2HG2 VAL 22 -1.100 -7.540 -12.606
182 3HG2 VAL 22 3HG2 VAL 22 -0.309 -7.359 -11.040
183 H THR 23 H THR 23 2.699 -8.087 -9.992
184 HA THR 23 HA THR 23 3.552 -10.321 -11.704
185 HB THR 23 HB THR 23 5.298 -10.903 -10.068
186 HG1 THR 23 HG1 THR 23 4.359 -8.546 -8.796
187 1HG2 THR 23 1HG2 THR 23 5.543 -8.087 -11.129
188 2HG2 THR 23 2HG2 THR 23 5.927 -9.568 -12.010
189 3HG2 THR 23 3HG2 THR 23 6.885 -9.104 -10.603
190 H ASN 24 H ASN 24 3.412 -12.422 -10.619
191 HA ASN 24 HA ASN 24 0.891 -12.729 -9.352
192 1HB ASN 24 2HB ASN 24 1.847 -14.450 -10.817
193 2HB ASN 24 1HB ASN 24 3.162 -14.706 -9.677
194 1HD2 ASN 24 1HD2 ASN 24 -0.247 -15.145 -10.275
195 2HD2 ASN 24 2HD2 ASN 24 -0.502 -16.348 -9.052
196 H LYS 25 H LYS 25 3.955 -11.964 -8.184
197 HA LYS 25 HA LYS 25 3.490 -13.001 -5.509
198 1HB LYS 25 2HB LYS 25 5.737 -13.193 -6.334
199 2HB LYS 25 1HB LYS 25 5.788 -11.487 -6.753
200 1HG LYS 25 2HG LYS 25 5.751 -10.876 -4.415
201 2HG LYS 25 1HG LYS 25 5.572 -12.568 -3.950
202 1HD LYS 25 2HD LYS 25 7.920 -11.533 -5.526
203 2HD LYS 25 1HD LYS 25 7.903 -11.602 -3.764
204 1HE LYS 25 2HE LYS 25 7.652 -13.917 -5.681
205 2HE LYS 25 1HE LYS 25 9.008 -13.564 -4.610
206 1HZ LYS 25 1HZ LYS 25 6.325 -14.570 -3.925
207 2HZ LYS 25 2HZ LYS 25 7.250 -13.760 -2.757
208 3HZ LYS 25 3HZ LYS 25 7.838 -15.188 -3.472
209 H THR 26 H THR 26 3.353 -9.933 -7.243
210 HA THR 26 HA THR 26 2.037 -8.605 -5.119
211 HB THR 26 HB THR 26 4.135 -8.589 -3.979
212 HG1 THR 26 HG1 THR 26 2.942 -6.549 -4.077
213 1HG2 THR 26 1HG2 THR 26 5.362 -7.444 -6.484
214 2HG2 THR 26 2HG2 THR 26 5.605 -9.074 -5.856
215 3HG2 THR 26 3HG2 THR 26 6.189 -7.683 -4.944
216 H TYR 27 H TYR 27 1.426 -6.464 -5.617
217 HA TYR 27 HA TYR 27 1.615 -5.774 -8.462
218 1HB TYR 27 2HB TYR 27 -0.173 -4.607 -6.315
219 2HB TYR 27 1HB TYR 27 -0.252 -4.250 -8.031
220 HD1 TYR 27 HD1 TYR 27 -1.343 -6.407 -5.389
221 HD2 TYR 27 HD2 TYR 27 -0.954 -6.091 -9.612
222 HE1 TYR 27 HE1 TYR 27 -3.023 -8.181 -5.668
223 HE2 TYR 27 HE2 TYR 27 -2.630 -7.861 -9.907
224 HH TYR 27 HH TYR 27 -4.680 -8.893 -7.489
225 H GLY 28 H GLY 28 2.537 -3.878 -9.137
226 1HA GLY 28 2HA GLY 28 3.688 -2.132 -7.061
227 2HA GLY 28 1HA GLY 28 4.218 -2.211 -8.737
228 H TYR 29 H TYR 29 2.392 -0.504 -6.538
229 HA TYR 29 HA TYR 29 0.718 0.662 -8.652
230 1HB TYR 29 2HB TYR 29 0.149 -0.252 -5.936
231 2HB TYR 29 1HB TYR 29 -0.483 1.348 -6.277
232 HD1 TYR 29 HD1 TYR 29 -2.257 1.649 -7.921
233 HD2 TYR 29 HD2 TYR 29 -0.636 -2.204 -7.141
234 HE1 TYR 29 HE1 TYR 29 -4.131 0.620 -9.136
235 HE2 TYR 29 HE2 TYR 29 -2.505 -3.244 -8.352
236 HH TYR 29 HH TYR 29 -4.660 -1.445 -10.297
237 H ARG 30 H ARG 30 0.353 2.919 -8.613
238 HA ARG 30 HA ARG 30 1.910 4.578 -6.827
239 1HB ARG 30 2HB ARG 30 3.349 5.537 -8.450
240 2HB ARG 30 1HB ARG 30 3.480 3.797 -8.667
241 1HG ARG 30 2HG ARG 30 1.848 3.968 -10.533
242 2HG ARG 30 1HG ARG 30 1.912 5.724 -10.364
243 1HD ARG 30 2HD ARG 30 4.477 5.391 -10.610
244 2HD ARG 30 1HD ARG 30 4.030 3.831 -11.299
245 HE ARG 30 HE ARG 30 3.261 6.461 -12.386
246 1HH1 ARG 30 1HH1 ARG 30 3.813 3.027 -12.823
247 2HH1 ARG 30 2HH1 ARG 30 3.592 3.084 -14.547
248 1HH2 ARG 30 1HH2 ARG 30 2.974 6.527 -14.645
249 2HH2 ARG 30 2HH2 ARG 30 3.142 5.072 -15.578
250 H ARG 31 H ARG 31 1.351 6.792 -6.958
251 HA ARG 31 HA ARG 31 -0.613 7.576 -8.985
252 1HB ARG 31 2HB ARG 31 -1.864 6.992 -6.884
253 2HB ARG 31 1HB ARG 31 -0.970 8.259 -6.053
254 1HG ARG 31 2HG ARG 31 -1.958 9.947 -7.439
255 2HG ARG 31 1HG ARG 31 -2.723 8.725 -8.456
256 1HD ARG 31 2HD ARG 31 -4.402 9.562 -7.002
257 2HD ARG 31 1HD ARG 31 -3.973 7.957 -6.420
258 HE ARG 31 HE ARG 31 -2.431 9.908 -5.076
259 1HH1 ARG 31 1HH1 ARG 31 -5.702 8.631 -5.214
260 2HH1 ARG 31 2HH1 ARG 31 -6.078 9.092 -3.584
261 1HH2 ARG 31 1HH2 ARG 31 -2.931 10.517 -2.946
262 2HH2 ARG 31 2HH2 ARG 31 -4.508 10.174 -2.294
263 H GLY 32 H GLY 32 0.885 8.782 -10.038
264 1HA GLY 32 2HA GLY 32 2.110 10.722 -10.435
265 2HA GLY 32 1HA GLY 32 1.804 11.223 -8.775
266 H GLU 33 H GLU 33 3.727 11.554 -7.837
267 HA GLU 33 HA GLU 33 5.926 9.699 -8.381
268 1HB GLU 33 2HB GLU 33 5.827 12.312 -6.866
269 2HB GLU 33 1HB GLU 33 7.276 11.335 -7.063
270 1HG GLU 33 2HG GLU 33 5.687 12.563 -9.304
271 2HG GLU 33 1HG GLU 33 7.184 13.208 -8.634
272 H ASN 34 H ASN 34 3.427 9.291 -6.646
273 HA ASN 34 HA ASN 34 4.815 8.466 -4.181
274 1HB ASN 34 2HB ASN 34 1.840 8.860 -4.628
275 2HB ASN 34 1HB ASN 34 2.618 8.453 -3.101
276 1HD2 ASN 34 1HD2 ASN 34 1.897 10.952 -5.371
277 2HD2 ASN 34 2HD2 ASN 34 2.490 12.273 -4.424
278 H TYR 35 H TYR 35 4.918 6.311 -3.708
279 HA TYR 35 HA TYR 35 3.664 4.503 -5.666
280 1HB TYR 35 2HB TYR 35 6.450 4.237 -4.514
281 2HB TYR 35 1HB TYR 35 5.709 3.189 -5.720
282 HD1 TYR 35 HD1 TYR 35 7.238 6.468 -5.115
283 HD2 TYR 35 HD2 TYR 35 5.508 3.903 -8.037
284 HE1 TYR 35 HE1 TYR 35 8.121 7.910 -6.896
285 HE2 TYR 35 HE2 TYR 35 6.390 5.342 -9.825
286 HH TYR 35 HH TYR 35 7.113 7.694 -10.116
287 H VAL 36 H VAL 36 3.019 2.499 -4.968
288 HA VAL 36 HA VAL 36 3.490 1.673 -2.215
289 HB VAL 36 HB VAL 36 0.998 1.107 -1.990
290 1HG1 VAL 36 1HG1 VAL 36 2.010 2.776 -0.601
291 2HG1 VAL 36 2HG1 VAL 36 0.446 3.378 -1.152
292 3HG1 VAL 36 3HG1 VAL 36 1.933 3.966 -1.899
293 1HG2 VAL 36 1HG2 VAL 36 0.333 1.533 -4.289
294 2HG2 VAL 36 2HG2 VAL 36 0.792 3.228 -4.126
295 3HG2 VAL 36 3HG2 VAL 36 -0.553 2.582 -3.185
296 H TYR 37 H TYR 37 4.058 -0.412 -2.298
297 HA TYR 37 HA TYR 37 3.221 -2.006 -4.615
298 1HB TYR 37 2HB TYR 37 5.367 -2.402 -2.529
299 2HB TYR 37 1HB TYR 37 4.922 -3.652 -3.687
300 HD1 TYR 37 HD1 TYR 37 6.638 -0.464 -3.218
301 HD2 TYR 37 HD2 TYR 37 5.363 -3.344 -6.079
302 HE1 TYR 37 HE1 TYR 37 8.157 0.522 -4.885
303 HE2 TYR 37 HE2 TYR 37 6.878 -2.368 -7.748
304 HH TYR 37 HH TYR 37 7.968 -0.148 -8.164
305 H VAL 38 H VAL 38 1.686 -3.478 -4.459
306 HA VAL 38 HA VAL 38 0.541 -4.057 -1.822
307 HB VAL 38 HB VAL 38 -0.617 -4.836 -4.498
308 1HG1 VAL 38 1HG1 VAL 38 -1.836 -4.531 -1.756
309 2HG1 VAL 38 2HG1 VAL 38 -1.525 -6.043 -2.608
310 3HG1 VAL 38 3HG1 VAL 38 -2.726 -4.912 -3.228
311 1HG2 VAL 38 1HG2 VAL 38 -1.089 -2.314 -2.919
312 2HG2 VAL 38 2HG2 VAL 38 -2.047 -2.839 -4.303
313 3HG2 VAL 38 3HG2 VAL 38 -0.342 -2.439 -4.511
314 H ASN 39 H ASN 39 1.246 -5.832 -0.855
315 HA ASN 39 HA ASN 39 2.594 -7.850 -2.469
316 1HB ASN 39 2HB ASN 39 3.503 -6.734 -0.312
317 2HB ASN 39 1HB ASN 39 2.455 -7.872 0.525
318 1HD2 ASN 39 1HD2 ASN 39 4.148 -9.005 1.421
319 2HD2 ASN 39 2HD2 ASN 39 5.178 -10.039 0.480
320 H ARG 40 H ARG 40 1.823 -9.828 -2.844
321 HA ARG 40 HA ARG 40 -0.803 -10.541 -1.835
322 1HB ARG 40 2HB ARG 40 1.082 -11.830 -3.794
323 2HB ARG 40 1HB ARG 40 -0.412 -12.596 -3.283
324 1HG ARG 40 2HG ARG 40 -1.708 -10.789 -4.225
325 2HG ARG 40 1HG ARG 40 -0.225 -9.922 -4.652
326 1HD ARG 40 2HD ARG 40 0.405 -11.579 -6.206
327 2HD ARG 40 1HD ARG 40 -0.811 -12.701 -5.615
328 HE ARG 40 HE ARG 40 -2.055 -10.368 -6.621
329 1HH1 ARG 40 1HH1 ARG 40 -0.394 -13.257 -7.656
330 2HH1 ARG 40 2HH1 ARG 40 -1.173 -13.313 -9.212
331 1HH2 ARG 40 1HH2 ARG 40 -3.124 -10.449 -8.658
332 2HH2 ARG 40 2HH2 ARG 40 -2.736 -11.733 -9.767
333 H GLU 41 H GLU 41 2.369 -10.970 -0.866
334 HA GLU 41 HA GLU 41 2.225 -13.674 0.063
335 1HB GLU 41 2HB GLU 41 4.180 -11.559 0.959
336 2HB GLU 41 1HB GLU 41 4.403 -13.303 0.972
337 1HG GLU 41 2HG GLU 41 4.474 -13.348 -1.445
338 2HG GLU 41 1HG GLU 41 4.129 -11.618 -1.511
339 H ALA 42 H ALA 42 0.581 -11.094 1.108
340 HA ALA 42 HA ALA 42 0.993 -11.543 3.965
341 1HB ALA 42 1HB ALA 42 0.893 -9.228 3.173
342 2HB ALA 42 2HB ALA 42 -0.421 -9.589 4.295
343 3HB ALA 42 3HB ALA 42 -0.737 -9.511 2.562
344 H ARG 43 H ARG 43 0.073 -13.606 4.167
345 HA ARG 43 HA ARG 43 -2.628 -14.099 3.322
346 1HB ARG 43 2HB ARG 43 -0.982 -15.704 5.293
347 2HB ARG 43 1HB ARG 43 -2.415 -16.244 4.430
348 1HG ARG 43 2HG ARG 43 -1.122 -15.923 2.297
349 2HG ARG 43 1HG ARG 43 0.310 -15.669 3.296
350 1HD ARG 43 2HD ARG 43 -1.399 -18.144 3.115
351 2HD ARG 43 1HD ARG 43 0.279 -17.959 2.612
352 HE ARG 43 HE ARG 43 -0.279 -17.522 5.433
353 1HH1 ARG 43 1HH1 ARG 43 0.829 -19.746 2.958
354 2HH1 ARG 43 2HH1 ARG 43 1.614 -20.809 4.093
355 1HH2 ARG 43 1HH2 ARG 43 0.707 -18.935 6.917
356 2HH2 ARG 43 2HH2 ARG 43 1.504 -20.370 6.348
357 H MET 44 H MET 44 -0.996 -13.030 6.200
358 HA MET 44 HA MET 44 -3.402 -13.088 7.818
359 1HB MET 44 2HB MET 44 -0.680 -11.882 8.364
360 2HB MET 44 1HB MET 44 -1.984 -12.013 9.534
361 1HG MET 44 2HG MET 44 -1.865 -14.433 9.431
362 2HG MET 44 1HG MET 44 -0.609 -14.335 8.198
363 1HE MET 44 1HE MET 44 1.433 -15.633 11.242
364 2HE MET 44 2HE MET 44 1.005 -15.880 9.549
365 3HE MET 44 3HE MET 44 -0.217 -16.075 10.805
366 H GLY 45 H GLY 45 -2.200 -11.109 5.433
367 1HA GLY 45 2HA GLY 45 -2.780 -9.020 4.676
368 2HA GLY 45 1HA GLY 45 -4.080 -9.031 5.861
369 H ARG 46 H ARG 46 -0.720 -9.418 6.754
370 HA ARG 46 HA ARG 46 -0.973 -6.937 8.311
371 1HB ARG 46 2HB ARG 46 -0.591 -9.185 9.452
372 2HB ARG 46 1HB ARG 46 1.023 -9.155 8.756
373 1HG ARG 46 2HG ARG 46 1.403 -6.985 9.916
374 2HG ARG 46 1HG ARG 46 -0.149 -7.212 10.728
375 1HD ARG 46 2HD ARG 46 0.714 -9.400 11.575
376 2HD ARG 46 1HD ARG 46 2.288 -8.978 10.903
377 HE ARG 46 HE ARG 46 0.965 -7.277 12.915
378 1HH1 ARG 46 1HH1 ARG 46 3.747 -9.133 11.829
379 2HH1 ARG 46 2HH1 ARG 46 4.755 -8.612 13.153
380 1HH2 ARG 46 1HH2 ARG 46 2.273 -6.601 14.617
381 2HH2 ARG 46 2HH2 ARG 46 3.911 -7.164 14.740
382 H THR 47 H THR 47 0.605 -8.226 5.628
383 HA THR 47 HA THR 47 2.570 -6.037 5.660
384 HB THR 47 HB THR 47 4.141 -7.670 4.451
385 HG1 THR 47 HG1 THR 47 2.377 -9.531 5.712
386 1HG2 THR 47 1HG2 THR 47 5.013 -8.581 6.566
387 2HG2 THR 47 2HG2 THR 47 3.513 -8.114 7.371
388 3HG2 THR 47 3HG2 THR 47 4.581 -6.877 6.711
389 H ALA 48 H ALA 48 -0.025 -6.306 4.381
390 HA ALA 48 HA ALA 48 0.344 -7.154 1.671
391 1HB ALA 48 1HB ALA 48 -1.971 -5.673 2.898
392 2HB ALA 48 2HB ALA 48 -1.790 -7.425 2.822
393 3HB ALA 48 3HB ALA 48 -1.958 -6.489 1.337
394 H LEU 49 H LEU 49 0.670 -4.100 3.301
395 HA LEU 49 HA LEU 49 0.848 -2.805 0.664
396 1HB LEU 49 2HB LEU 49 -1.166 -2.072 1.901
397 2HB LEU 49 1HB LEU 49 -0.137 -1.516 3.209
398 HG LEU 49 HG LEU 49 0.941 0.079 1.619
399 1HD1 LEU 49 1HD1 LEU 49 -1.247 -0.849 -0.233
400 2HD1 LEU 49 2HD1 LEU 49 0.487 -1.068 -0.461
401 3HD1 LEU 49 3HD1 LEU 49 -0.210 0.551 -0.498
402 1HD2 LEU 49 1HD2 LEU 49 -0.925 1.655 1.563
403 2HD2 LEU 49 2HD2 LEU 49 -0.834 0.816 3.112
404 3HD2 LEU 49 3HD2 LEU 49 -2.047 0.343 1.923
405 H ILE 50 H ILE 50 2.826 -2.234 0.231
406 HA ILE 50 HA ILE 50 4.546 -1.335 2.447
407 HB ILE 50 HB ILE 50 5.367 -2.744 -0.098
408 1HG1 ILE 50 2HG1 ILE 50 5.504 -3.728 2.756
409 2HG1 ILE 50 1HG1 ILE 50 4.188 -4.122 1.658
410 1HG2 ILE 50 1HG2 ILE 50 7.002 -1.799 2.256
411 2HG2 ILE 50 2HG2 ILE 50 7.058 -1.160 0.612
412 3HG2 ILE 50 3HG2 ILE 50 7.606 -2.806 0.937
413 1HD1 ILE 50 1HD1 ILE 50 5.773 -5.925 1.770
414 2HD1 ILE 50 2HD1 ILE 50 7.084 -4.841 1.300
415 3HD1 ILE 50 3HD1 ILE 50 5.787 -5.206 0.160
416 H ILE 51 H ILE 51 4.825 0.785 2.354
417 HA ILE 51 HA ILE 51 4.268 2.191 -0.109
418 HB ILE 51 HB ILE 51 4.545 4.261 1.322
419 1HG1 ILE 51 2HG1 ILE 51 4.473 2.293 3.619
420 2HG1 ILE 51 1HG1 ILE 51 5.939 3.116 3.094
421 1HG2 ILE 51 1HG2 ILE 51 2.382 3.968 2.423
422 2HG2 ILE 51 2HG2 ILE 51 2.492 2.225 2.174
423 3HG2 ILE 51 3HG2 ILE 51 2.370 3.309 0.787
424 1HD1 ILE 51 1HD1 ILE 51 4.943 4.215 5.016
425 2HD1 ILE 51 2HD1 ILE 51 3.441 4.443 4.121
426 3HD1 ILE 51 3HD1 ILE 51 4.911 5.267 3.603
427 H HIS 52 H HIS 52 6.752 3.026 2.269
428 HA HIS 52 HA HIS 52 9.042 2.671 0.724
429 1HB HIS 52 2HB HIS 52 8.028 4.312 -0.816
430 2HB HIS 52 1HB HIS 52 7.787 5.435 0.514
431 HD1 HIS 52 HD1 HIS 52 9.865 6.724 1.368
432 HD2 HIS 52 HD2 HIS 52 10.612 4.253 -1.891
433 HE1 HIS 52 HE1 HIS 52 12.146 7.373 0.555
434 HE2 HIS 52 HE2 HIS 52 12.486 6.016 -1.559
435 HA PRO 53 HA PRO 53 10.797 3.967 4.723
436 1HB PRO 53 2HB PRO 53 13.124 5.067 3.596
437 2HB PRO 53 1HB PRO 53 12.934 3.418 4.198
438 1HG PRO 53 2HG PRO 53 12.782 4.447 1.408
439 2HG PRO 53 1HG PRO 53 13.400 2.896 2.005
440 1HD PRO 53 2HD PRO 53 11.026 3.080 0.781
441 2HD PRO 53 1HD PRO 53 11.278 1.969 2.145
442 H ARG 54 H ARG 54 12.261 6.173 5.226
443 HA ARG 54 HA ARG 54 12.208 8.420 5.521
444 1HB ARG 54 2HB ARG 54 12.332 8.721 3.121
445 2HB ARG 54 1HB ARG 54 10.598 8.468 2.967
446 1HG ARG 54 2HG ARG 54 10.253 10.502 4.371
447 2HG ARG 54 1HG ARG 54 11.991 10.787 4.290
448 1HD ARG 54 2HD ARG 54 11.834 10.875 1.834
449 2HD ARG 54 1HD ARG 54 10.092 10.649 1.950
450 HE ARG 54 HE ARG 54 10.820 12.856 3.526
451 1HH1 ARG 54 1HH1 ARG 54 10.626 11.925 0.149
452 2HH1 ARG 54 2HH1 ARG 54 10.388 13.544 -0.417
453 1HH2 ARG 54 1HH2 ARG 54 10.477 14.988 2.783
454 2HH2 ARG 54 2HH2 ARG 54 10.287 15.285 1.075
455 H LEU 55 H LEU 55 9.076 7.108 4.537
456 HA LEU 55 HA LEU 55 7.610 9.010 6.159
457 1HB LEU 55 2HB LEU 55 6.738 6.712 4.410
458 2HB LEU 55 1HB LEU 55 5.629 7.757 5.276
459 HG LEU 55 HG LEU 55 7.573 8.723 3.180
460 1HD1 LEU 55 1HD1 LEU 55 5.609 8.914 1.731
461 2HD1 LEU 55 2HD1 LEU 55 4.622 8.142 2.971
462 3HD1 LEU 55 3HD1 LEU 55 5.918 7.239 2.188
463 1HD2 LEU 55 1HD2 LEU 55 6.117 10.732 3.252
464 2HD2 LEU 55 2HD2 LEU 55 7.000 10.440 4.750
465 3HD2 LEU 55 3HD2 LEU 55 5.286 10.027 4.642
466 H LYS 56 H LYS 56 9.367 6.756 7.276
467 HA LYS 56 HA LYS 56 7.846 4.712 8.375
468 1HB LYS 56 2HB LYS 56 10.330 4.821 8.325
469 2HB LYS 56 1HB LYS 56 10.273 6.024 9.604
470 1HG LYS 56 2HG LYS 56 9.205 4.377 11.081
471 2HG LYS 56 1HG LYS 56 9.334 3.171 9.800
472 1HD LYS 56 2HD LYS 56 11.788 3.483 9.806
473 2HD LYS 56 1HD LYS 56 11.614 4.604 11.154
474 1HE LYS 56 2HE LYS 56 12.245 2.443 11.999
475 2HE LYS 56 1HE LYS 56 10.584 2.791 12.480
476 1HZ LYS 56 1HZ LYS 56 9.742 1.255 10.989
477 2HZ LYS 56 2HZ LYS 56 11.148 0.484 11.554
478 3HZ LYS 56 3HZ LYS 56 11.148 1.238 10.040
479 H ASP 57 H ASP 57 9.041 7.542 10.212
480 HA ASP 57 HA ASP 57 7.323 6.964 12.415
481 1HB ASP 57 2HB ASP 57 9.533 8.133 12.587
482 2HB ASP 57 1HB ASP 57 8.790 9.542 11.833
483 H ARG 58 H ARG 58 7.198 9.164 9.703
484 HA ARG 58 HA ARG 58 4.997 10.725 10.351
485 1HB ARG 58 2HB ARG 58 6.237 11.310 8.432
486 2HB ARG 58 1HB ARG 58 6.086 9.707 7.736
487 1HG ARG 58 2HG ARG 58 4.721 11.185 6.480
488 2HG ARG 58 1HG ARG 58 3.657 10.141 7.422
489 1HD ARG 58 2HD ARG 58 3.367 11.933 9.068
490 2HD ARG 58 1HD ARG 58 4.431 12.974 8.117
491 HE ARG 58 HE ARG 58 2.253 11.976 6.572
492 1HH1 ARG 58 1HH1 ARG 58 3.090 14.416 8.943
493 2HH1 ARG 58 2HH1 ARG 58 1.857 15.521 8.420
494 1HH2 ARG 58 1HH2 ARG 58 0.613 13.415 5.909
495 2HH2 ARG 58 2HH2 ARG 58 0.471 14.963 6.685
496 H SER 59 H SER 59 4.996 7.730 8.421
497 HA SER 59 HA SER 59 2.214 7.519 8.214
498 1HB SER 59 2HB SER 59 3.417 6.297 6.643
499 2HB SER 59 1HB SER 59 4.485 5.592 7.850
500 HG SER 59 HG SER 59 2.132 4.759 8.545
501 H SER 60 H SER 60 4.374 6.556 10.782
502 HA SER 60 HA SER 60 2.856 4.506 11.918
503 1HB SER 60 2HB SER 60 4.749 6.441 13.262
504 2HB SER 60 1HB SER 60 4.145 4.949 13.985
505 HG SER 60 HG SER 60 5.756 5.212 11.657
506 H SER 61 H SER 61 2.436 7.981 12.168
507 HA SER 61 HA SER 61 0.654 7.819 14.418
508 1HB SER 61 2HB SER 61 1.991 9.857 13.901
509 2HB SER 61 1HB SER 61 1.021 10.088 12.446
510 HG SER 61 HG SER 61 -0.259 9.833 14.935
511 H LEU 62 H LEU 62 0.387 7.503 11.012
512 HA LEU 62 HA LEU 62 -2.479 8.012 10.982
513 1HB LEU 62 2HB LEU 62 -0.601 7.223 8.753
514 2HB LEU 62 1HB LEU 62 -2.274 7.709 8.559
515 HG LEU 62 HG LEU 62 -0.095 9.498 9.636
516 1HD1 LEU 62 1HD1 LEU 62 -1.359 9.415 6.897
517 2HD1 LEU 62 2HD1 LEU 62 0.292 8.932 7.292
518 3HD1 LEU 62 3HD1 LEU 62 -0.200 10.617 7.470
519 1HD2 LEU 62 1HD2 LEU 62 -2.309 10.087 10.450
520 2HD2 LEU 62 2HD2 LEU 62 -2.941 10.057 8.803
521 3HD2 LEU 62 3HD2 LEU 62 -1.755 11.276 9.269
522 H ALA 63 H ALA 63 -0.289 5.423 9.923
523 HA ALA 63 HA ALA 63 -2.237 3.426 10.802
524 1HB ALA 63 1HB ALA 63 -1.020 3.452 8.041
525 2HB ALA 63 2HB ALA 63 -2.708 3.792 8.426
526 3HB ALA 63 3HB ALA 63 -2.046 2.183 8.710
527 H ASP 64 H ASP 64 -1.293 1.683 11.698
528 HA ASP 64 HA ASP 64 1.430 1.949 12.427
529 1HB ASP 64 2HB ASP 64 1.105 -0.066 13.746
530 2HB ASP 64 1HB ASP 64 -0.270 1.009 13.948
531 HA PRO 65 HA PRO 65 3.213 -0.746 9.317
532 1HB PRO 65 2HB PRO 65 5.745 -0.349 10.620
533 2HB PRO 65 1HB PRO 65 5.195 0.336 9.091
534 1HG PRO 65 2HG PRO 65 5.662 1.800 11.373
535 2HG PRO 65 1HG PRO 65 4.588 2.309 10.059
536 1HD PRO 65 2HD PRO 65 3.906 1.066 12.696
537 2HD PRO 65 1HD PRO 65 3.061 2.347 11.797
538 H ALA 66 H ALA 66 3.546 -2.908 9.428
539 HA ALA 66 HA ALA 66 3.167 -4.223 11.924
540 1HB ALA 66 1HB ALA 66 2.323 -5.125 9.802
541 2HB ALA 66 2HB ALA 66 3.333 -6.283 10.666
542 3HB ALA 66 3HB ALA 66 3.983 -5.410 9.279
543 H SER 67 H SER 67 5.818 -4.670 9.600
544 HA SER 67 HA SER 67 7.607 -5.302 11.801
545 1HB SER 67 2HB SER 67 7.953 -5.548 8.804
546 2HB SER 67 1HB SER 67 9.055 -6.164 10.027
547 HG SER 67 HG SER 67 7.436 -7.560 10.742
548 H ASP 68 H ASP 68 10.031 -4.597 10.886
549 HA ASP 68 HA ASP 68 10.016 -1.712 11.041
550 1HB ASP 68 2HB ASP 68 11.768 -3.197 12.128
551 2HB ASP 68 1HB ASP 68 12.376 -3.530 10.513
552 H ILE 69 H ILE 69 11.386 -4.065 8.820
553 HA ILE 69 HA ILE 69 10.468 -2.557 6.514
554 HB ILE 69 HB ILE 69 12.800 -2.959 5.458
555 1HG1 ILE 69 2HG1 ILE 69 13.687 -2.694 8.317
556 2HG1 ILE 69 1HG1 ILE 69 13.565 -4.257 7.527
557 1HG2 ILE 69 1HG2 ILE 69 11.869 -0.752 5.814
558 2HG2 ILE 69 2HG2 ILE 69 13.594 -0.763 6.184
559 3HG2 ILE 69 3HG2 ILE 69 12.410 -0.775 7.493
560 1HD1 ILE 69 1HD1 ILE 69 15.844 -3.444 7.474
561 2HD1 ILE 69 2HD1 ILE 69 15.318 -1.957 6.682
562 3HD1 ILE 69 3HD1 ILE 69 15.183 -3.500 5.839
563 H LYS 70 H LYS 70 10.437 -3.824 4.617
564 HA LYS 70 HA LYS 70 10.995 -6.692 4.976
565 1HB LYS 70 2HB LYS 70 8.572 -6.377 5.153
566 2HB LYS 70 1HB LYS 70 8.563 -5.487 3.634
567 1HG LYS 70 2HG LYS 70 9.333 -7.513 2.468
568 2HG LYS 70 1HG LYS 70 9.265 -8.396 3.994
569 1HD LYS 70 2HD LYS 70 6.860 -7.948 4.143
570 2HD LYS 70 1HD LYS 70 6.937 -7.065 2.617
571 1HE LYS 70 2HE LYS 70 7.646 -9.972 2.977
572 2HE LYS 70 1HE LYS 70 6.106 -9.379 2.361
573 1HZ LYS 70 1HZ LYS 70 8.771 -9.036 1.089
574 2HZ LYS 70 2HZ LYS 70 7.343 -8.324 0.520
575 3HZ LYS 70 3HZ LYS 70 7.498 -10.014 0.535
576 H THR 71 H THR 71 12.162 -7.556 3.359
577 HA THR 71 HA THR 71 12.675 -5.822 1.056
578 HB THR 71 HB THR 71 14.739 -7.219 0.760
579 HG1 THR 71 HG1 THR 71 15.371 -8.484 2.576
580 1HG2 THR 71 1HG2 THR 71 14.836 -5.045 1.845
581 2HG2 THR 71 2HG2 THR 71 15.956 -6.164 2.622
582 3HG2 THR 71 3HG2 THR 71 14.417 -5.778 3.393
583 H CYS 72 H CYS 72 12.936 -6.772 -1.018
584 HA CYS 72 HA CYS 72 12.258 -9.493 -1.552
585 1HB CYS 72 2HB CYS 72 9.999 -8.456 -1.127
586 2HB CYS 72 1HB CYS 72 10.296 -7.380 -2.485
587 HG CYS 72 HG CYS 72 9.342 -10.596 -2.468
588 H ASP 73 H ASP 73 11.804 -9.513 -4.172
589 HA ASP 73 HA ASP 73 14.153 -8.089 -5.214
590 1HB ASP 73 2HB ASP 73 14.342 -9.815 -6.839
591 2HB ASP 73 1HB ASP 73 13.971 -10.624 -5.318
592 H HIS 74 H HIS 74 10.734 -8.169 -5.436
593 HA HIS 74 HA HIS 74 10.640 -7.326 -8.194
594 1HB HIS 74 2HB HIS 74 8.569 -8.007 -6.151
595 2HB HIS 74 1HB HIS 74 8.108 -7.146 -7.617
596 HD1 HIS 74 HD1 HIS 74 6.927 -9.870 -7.263
597 HD2 HIS 74 HD2 HIS 74 10.568 -9.241 -9.153
598 HE1 HIS 74 HE1 HIS 74 7.278 -11.877 -8.726
599 HE2 HIS 74 HE2 HIS 74 9.351 -11.340 -10.050
600 H TYR 75 H TYR 75 10.035 -5.756 -5.043
601 HA TYR 75 HA TYR 75 8.967 -3.397 -6.277
602 1HB TYR 75 2HB TYR 75 10.165 -3.096 -3.593
603 2HB TYR 75 1HB TYR 75 8.603 -2.571 -4.193
604 HD1 TYR 75 HD1 TYR 75 7.038 -4.825 -4.771
605 HD2 TYR 75 HD2 TYR 75 10.070 -4.456 -1.808
606 HE1 TYR 75 HE1 TYR 75 5.955 -6.594 -3.445
607 HE2 TYR 75 HE2 TYR 75 9.001 -6.223 -0.482
608 HH TYR 75 HH TYR 75 6.296 -8.079 -1.711
609 H GLN 76 H GLN 76 10.583 -2.689 -7.816
610 HA GLN 76 HA GLN 76 13.272 -2.448 -6.919
611 1HB GLN 76 2HB GLN 76 13.843 -1.755 -9.072
612 2HB GLN 76 1HB GLN 76 12.653 -3.025 -9.258
613 1HG GLN 76 2HG GLN 76 12.045 -0.082 -9.467
614 2HG GLN 76 1HG GLN 76 12.403 -1.121 -10.841
615 1HE2 GLN 76 1HE2 GLN 76 10.005 0.418 -10.282
616 2HE2 GLN 76 2HE2 GLN 76 8.695 -0.713 -10.239
617 H ASN 77 H ASN 77 10.590 -0.190 -7.142
618 HA ASN 77 HA ASN 77 12.385 2.057 -7.293
619 1HB ASN 77 2HB ASN 77 10.098 2.014 -8.367
620 2HB ASN 77 1HB ASN 77 9.431 2.239 -6.752
621 1HD2 ASN 77 1HD2 ASN 77 12.489 3.633 -7.691
622 2HD2 ASN 77 2HD2 ASN 77 11.941 5.275 -7.740
623 H PHE 78 H PHE 78 13.527 1.414 -5.427
624 HA PHE 78 HA PHE 78 12.654 2.977 -3.131
625 1HB PHE 78 2HB PHE 78 13.538 0.079 -3.032
626 2HB PHE 78 1HB PHE 78 13.671 1.142 -1.638
627 HD1 PHE 78 HD1 PHE 78 11.416 2.430 -1.076
628 HD2 PHE 78 HD2 PHE 78 11.689 -1.252 -3.179
629 HE1 PHE 78 HE1 PHE 78 9.107 1.896 -0.431
630 HE2 PHE 78 HE2 PHE 78 9.377 -1.789 -2.540
631 HZ PHE 78 HZ PHE 78 8.082 -0.216 -1.167
632 HA PRO 79 HA PRO 79 17.076 4.036 -3.049
633 1HB PRO 79 2HB PRO 79 17.371 2.720 -0.396
634 2HB PRO 79 1HB PRO 79 17.826 4.351 -0.897
635 1HG PRO 79 2HG PRO 79 15.689 3.953 0.635
636 2HG PRO 79 1HG PRO 79 15.667 5.169 -0.657
637 1HD PRO 79 2HD PRO 79 14.446 2.439 -0.597
638 2HD PRO 79 1HD PRO 79 13.814 3.941 -1.302
639 H LEU 80 H LEU 80 15.996 0.853 -2.181
640 HA LEU 80 HA LEU 80 16.753 -1.257 -2.515
641 1HB LEU 80 2HB LEU 80 17.163 -0.089 -4.874
642 2HB LEU 80 1HB LEU 80 18.847 -0.319 -4.438
643 HG LEU 80 HG LEU 80 16.751 -2.387 -4.994
644 1HD1 LEU 80 1HD1 LEU 80 18.034 -1.524 -6.873
645 2HD1 LEU 80 2HD1 LEU 80 18.422 -3.215 -6.558
646 3HD1 LEU 80 3HD1 LEU 80 19.536 -1.947 -6.050
647 1HD2 LEU 80 1HD2 LEU 80 18.407 -4.097 -4.323
648 2HD2 LEU 80 2HD2 LEU 80 17.767 -3.159 -2.973
649 3HD2 LEU 80 3HD2 LEU 80 19.377 -2.815 -3.599
650 H TYR 81 H TYR 81 17.760 -2.158 -0.902
651 HA TYR 81 HA TYR 81 19.515 -0.868 0.790
652 1HB TYR 81 2HB TYR 81 18.037 -2.979 1.115
653 2HB TYR 81 1HB TYR 81 19.453 -3.864 0.571
654 HD1 TYR 81 HD1 TYR 81 21.498 -3.898 1.956
655 HD2 TYR 81 HD2 TYR 81 17.937 -1.975 3.274
656 HE1 TYR 81 HE1 TYR 81 22.361 -3.895 4.260
657 HE2 TYR 81 HE2 TYR 81 18.784 -1.965 5.578
658 HH TYR 81 HH TYR 81 20.349 -3.111 6.960
659 H LEU 82 H LEU 82 21.532 -0.245 0.451
660 HA LEU 82 HA LEU 82 23.234 -1.612 -1.448
661 1HB LEU 82 2HB LEU 82 23.180 0.976 -0.117
662 2HB LEU 82 1HB LEU 82 24.782 0.269 -0.125
663 HG LEU 82 HG LEU 82 24.462 1.756 -2.030
664 1HD1 LEU 82 1HD1 LEU 82 24.628 -1.155 -2.787
665 2HD1 LEU 82 2HD1 LEU 82 25.965 -0.122 -2.282
666 3HD1 LEU 82 3HD1 LEU 82 25.129 0.197 -3.802
667 1HD2 LEU 82 1HD2 LEU 82 22.248 -0.137 -2.815
668 2HD2 LEU 82 2HD2 LEU 82 22.890 1.162 -3.819
669 3HD2 LEU 82 3HD2 LEU 82 22.058 1.543 -2.312
670 H GLY 83 H GLY 83 25.294 -2.455 -0.929
671 1HA GLY 83 2HA GLY 83 26.473 -2.851 1.492
672 2HA GLY 83 1HA GLY 83 25.205 -4.069 1.433
673 H GLY 84 H GLY 84 27.336 -5.364 1.605
674 1HA GLY 84 2HA GLY 84 28.737 -5.698 -0.910
675 2HA GLY 84 1HA GLY 84 28.987 -6.628 0.561
676 H GLU 85 H GLU 85 25.838 -6.798 0.358
677 HA GLU 85 HA GLU 85 25.866 -9.409 -0.847
678 1HB GLU 85 2HB GLU 85 23.784 -7.770 0.578
679 2HB GLU 85 1HB GLU 85 23.407 -9.317 -0.161
680 1HG GLU 85 2HG GLU 85 25.570 -8.959 1.884
681 2HG GLU 85 1HG GLU 85 23.906 -9.375 2.291
682 H THR 86 H THR 86 23.346 -9.606 -1.904
683 HA THR 86 HA THR 86 23.863 -8.762 -4.564
684 HB THR 86 HB THR 86 21.642 -9.871 -5.005
685 HG1 THR 86 HG1 THR 86 20.851 -11.079 -3.093
686 1HG2 THR 86 1HG2 THR 86 23.656 -11.416 -3.367
687 2HG2 THR 86 2HG2 THR 86 23.723 -11.144 -5.109
688 3HG2 THR 86 3HG2 THR 86 22.434 -12.130 -4.418
689 H HIS 87 H HIS 87 22.558 -7.087 -2.040
690 HA HIS 87 HA HIS 87 21.406 -5.148 -1.808
691 1HB HIS 87 2HB HIS 87 21.226 -5.013 -4.829
692 2HB HIS 87 1HB HIS 87 20.939 -3.707 -3.696
693 HD1 HIS 87 HD1 HIS 87 23.070 -3.664 -6.019
694 HD2 HIS 87 HD2 HIS 87 23.847 -4.451 -2.011
695 HE1 HIS 87 HE1 HIS 87 25.481 -3.056 -5.667
696 HE2 HIS 87 HE2 HIS 87 25.975 -3.708 -3.283
697 H GLU 88 H GLU 88 19.434 -5.253 -0.996
698 HA GLU 88 HA GLU 88 17.415 -6.743 -2.523
699 1HB GLU 88 2HB GLU 88 16.441 -7.339 -0.268
700 2HB GLU 88 1HB GLU 88 17.975 -8.098 -0.664
701 1HG GLU 88 2HG GLU 88 19.064 -6.223 0.669
702 2HG GLU 88 1HG GLU 88 17.444 -5.862 1.261
703 H HIS 89 H HIS 89 15.311 -5.982 -2.506
704 HA HIS 89 HA HIS 89 15.235 -3.088 -2.290
705 1HB HIS 89 2HB HIS 89 13.123 -5.022 -3.276
706 2HB HIS 89 1HB HIS 89 13.106 -3.273 -3.475
707 HD1 HIS 89 HD1 HIS 89 14.308 -2.330 -5.473
708 HD2 HIS 89 HD2 HIS 89 15.131 -6.356 -4.864
709 HE1 HIS 89 HE1 HIS 89 15.582 -3.074 -7.508
710 HE2 HIS 89 HE2 HIS 89 16.158 -5.493 -7.079
711 H TYR 90 H TYR 90 14.781 -2.283 -0.308
712 HA TYR 90 HA TYR 90 12.981 -3.821 1.412
713 1HB TYR 90 2HB TYR 90 14.007 -2.826 3.297
714 2HB TYR 90 1HB TYR 90 15.320 -3.248 2.208
715 HD1 TYR 90 HD1 TYR 90 13.701 -0.627 4.044
716 HD2 TYR 90 HD2 TYR 90 16.366 -1.393 0.815
717 HE1 TYR 90 HE1 TYR 90 14.507 1.684 4.172
718 HE2 TYR 90 HE2 TYR 90 17.179 0.924 0.933
719 HH TYR 90 HH TYR 90 16.472 2.995 3.545
720 H GLY 91 H GLY 91 11.117 -3.072 2.117
721 1HA GLY 91 2HA GLY 91 10.563 -0.187 1.940
722 2HA GLY 91 1HA GLY 91 9.399 -1.339 1.286
723 H ILE 92 H ILE 92 8.245 0.090 3.110
724 HA ILE 92 HA ILE 92 8.581 -1.319 5.666
725 HB ILE 92 HB ILE 92 7.252 1.354 5.192
726 1HG1 ILE 92 2HG1 ILE 92 9.963 0.701 6.376
727 2HG1 ILE 92 1HG1 ILE 92 9.694 1.388 4.779
728 1HG2 ILE 92 1HG2 ILE 92 7.313 1.552 7.633
729 2HG2 ILE 92 2HG2 ILE 92 8.003 -0.065 7.749
730 3HG2 ILE 92 3HG2 ILE 92 6.365 0.151 7.129
731 1HD1 ILE 92 1HD1 ILE 92 8.959 2.699 7.385
732 2HD1 ILE 92 2HD1 ILE 92 8.769 3.393 5.774
733 3HD1 ILE 92 3HD1 ILE 92 10.383 3.065 6.410
734 HA PRO 93 HA PRO 93 4.695 -3.201 4.491
735 1HB PRO 93 2HB PRO 93 4.657 -5.056 6.443
736 2HB PRO 93 1HB PRO 93 5.731 -5.182 5.046
737 1HG PRO 93 2HG PRO 93 6.337 -4.248 7.821
738 2HG PRO 93 1HG PRO 93 7.293 -5.294 6.756
739 1HD PRO 93 2HD PRO 93 7.787 -2.629 7.107
740 2HD PRO 93 1HD PRO 93 8.203 -3.520 5.631
741 H HIS 94 H HIS 94 2.635 -2.908 5.081
742 HA HIS 94 HA HIS 94 2.052 -1.848 7.763
743 1HB HIS 94 2HB HIS 94 1.128 -0.751 5.102
744 2HB HIS 94 1HB HIS 94 0.352 -0.345 6.627
745 HD1 HIS 94 HD1 HIS 94 3.845 -0.166 5.116
746 HD2 HIS 94 HD2 HIS 94 1.375 1.866 7.765
747 HE1 HIS 94 HE1 HIS 94 5.134 1.873 5.807
748 HE2 HIS 94 HE2 HIS 94 3.527 3.184 7.248
749 H GLY 95 H GLY 95 -0.509 -1.632 7.844
750 1HA GLY 95 2HA GLY 95 -2.075 -3.528 6.452
751 2HA GLY 95 1HA GLY 95 -1.562 -4.192 8.001
752 H PHE 96 H PHE 96 -4.240 -3.738 7.433
753 HA PHE 96 HA PHE 96 -4.903 -1.440 9.120
754 1HB PHE 96 2HB PHE 96 -6.149 -1.947 6.403
755 2HB PHE 96 1HB PHE 96 -6.572 -0.648 7.510
756 HD1 PHE 96 HD1 PHE 96 -5.187 1.297 7.734
757 HD2 PHE 96 HD2 PHE 96 -4.075 -1.892 5.145
758 HE1 PHE 96 HE1 PHE 96 -3.505 2.745 6.676
759 HE2 PHE 96 HE2 PHE 96 -2.390 -0.449 4.084
760 HZ PHE 96 HZ PHE 96 -2.103 1.872 4.851
761 H SER 97 H SER 97 -7.616 -1.516 8.687
762 HA SER 97 HA SER 97 -8.611 -4.230 8.896
763 1HB SER 97 2HB SER 97 -7.971 -3.565 11.251
764 2HB SER 97 1HB SER 97 -9.121 -2.235 11.137
765 HG SER 97 HG SER 97 -10.792 -3.671 11.058
766 H SER 98 H SER 98 -9.156 -0.731 9.017
767 HA SER 98 HA SER 98 -11.812 -1.068 7.822
768 1HB SER 98 2HB SER 98 -10.540 1.438 8.946
769 2HB SER 98 1HB SER 98 -12.232 1.216 8.501
770 HG SER 98 HG SER 98 -10.978 0.611 10.815
771 H ARG 99 H ARG 99 -12.147 -0.618 5.751
772 HA ARG 99 HA ARG 99 -10.079 -0.082 3.939
773 1HB ARG 99 2HB ARG 99 -13.074 0.052 3.707
774 2HB ARG 99 1HB ARG 99 -12.014 0.383 2.341
775 1HG ARG 99 2HG ARG 99 -11.375 -1.791 2.128
776 2HG ARG 99 1HG ARG 99 -11.586 -2.137 3.847
777 1HD ARG 99 2HD ARG 99 -13.881 -1.598 1.982
778 2HD ARG 99 1HD ARG 99 -13.248 -3.217 2.287
779 HE ARG 99 HE ARG 99 -13.734 -2.622 4.736
780 1HH1 ARG 99 1HH1 ARG 99 -15.609 -1.380 2.043
781 2HH1 ARG 99 2HH1 ARG 99 -17.103 -1.357 2.938
782 1HH2 ARG 99 1HH2 ARG 99 -15.683 -2.573 5.911
783 2HH2 ARG 99 2HH2 ARG 99 -17.148 -2.063 5.130
784 H ILE 100 H ILE 100 -12.565 2.103 5.277
785 HA ILE 100 HA ILE 100 -11.867 4.359 3.754
786 HB ILE 100 HB ILE 100 -13.948 4.271 5.053
787 1HG1 ILE 100 2HG1 ILE 100 -13.925 6.557 5.924
788 2HG1 ILE 100 1HG1 ILE 100 -12.166 6.544 5.967
789 1HG2 ILE 100 1HG2 ILE 100 -13.919 4.610 7.469
790 2HG2 ILE 100 2HG2 ILE 100 -12.156 4.555 7.449
791 3HG2 ILE 100 3HG2 ILE 100 -13.087 3.121 7.015
792 1HD1 ILE 100 1HD1 ILE 100 -12.108 6.380 3.537
793 2HD1 ILE 100 2HD1 ILE 100 -13.000 7.802 4.071
794 3HD1 ILE 100 3HD1 ILE 100 -13.871 6.382 3.492
795 H ALA 101 H ALA 101 -10.457 3.024 6.681
796 HA ALA 101 HA ALA 101 -8.803 5.183 7.380
797 1HB ALA 101 1HB ALA 101 -8.271 2.227 7.684
798 2HB ALA 101 2HB ALA 101 -9.041 3.281 8.872
799 3HB ALA 101 3HB ALA 101 -7.340 3.515 8.451
800 H LEU 102 H LEU 102 -8.088 2.294 5.421
801 HA LEU 102 HA LEU 102 -5.602 3.025 4.445
802 1HB LEU 102 2HB LEU 102 -6.431 0.825 4.059
803 2HB LEU 102 1HB LEU 102 -7.841 1.429 3.216
804 HG LEU 102 HG LEU 102 -6.421 2.147 1.342
805 1HD1 LEU 102 1HD1 LEU 102 -4.087 1.433 1.235
806 2HD1 LEU 102 2HD1 LEU 102 -4.186 0.860 2.900
807 3HD1 LEU 102 3HD1 LEU 102 -4.358 2.580 2.547
808 1HD2 LEU 102 1HD2 LEU 102 -7.435 -0.048 1.264
809 2HD2 LEU 102 2HD2 LEU 102 -6.077 -0.733 2.157
810 3HD2 LEU 102 3HD2 LEU 102 -5.831 -0.099 0.532
811 H GLU 103 H GLU 103 -8.800 3.793 3.146
812 HA GLU 103 HA GLU 103 -8.112 5.077 0.793
813 1HB GLU 103 2HB GLU 103 -10.439 4.498 1.834
814 2HB GLU 103 1HB GLU 103 -10.318 6.086 2.567
815 1HG GLU 103 2HG GLU 103 -10.118 5.636 -0.399
816 2HG GLU 103 1HG GLU 103 -11.630 5.980 0.440
817 H ARG 104 H ARG 104 -8.964 6.741 3.818
818 HA ARG 104 HA ARG 104 -8.018 9.235 2.840
819 1HB ARG 104 2HB ARG 104 -8.670 10.125 4.956
820 2HB ARG 104 1HB ARG 104 -9.876 8.953 4.455
821 1HG ARG 104 2HG ARG 104 -8.419 7.342 5.932
822 2HG ARG 104 1HG ARG 104 -7.957 8.857 6.699
823 1HD ARG 104 2HD ARG 104 -10.722 7.726 6.389
824 2HD ARG 104 1HD ARG 104 -9.827 7.969 7.885
825 HE ARG 104 HE ARG 104 -10.648 10.264 6.221
826 1HH1 ARG 104 1HH1 ARG 104 -10.582 8.566 9.283
827 2HH1 ARG 104 2HH1 ARG 104 -11.477 9.800 10.127
828 1HH2 ARG 104 1HH2 ARG 104 -11.832 11.891 7.324
829 2HH2 ARG 104 2HH2 ARG 104 -12.182 11.672 9.023
830 H TYR 105 H TYR 105 -6.575 6.669 4.638
831 HA TYR 105 HA TYR 105 -4.333 7.941 5.724
832 1HB TYR 105 2HB TYR 105 -4.673 5.692 6.352
833 2HB TYR 105 1HB TYR 105 -4.791 5.154 4.683
834 HD1 TYR 105 HD1 TYR 105 -2.990 4.098 3.734
835 HD2 TYR 105 HD2 TYR 105 -2.329 6.687 7.036
836 HE1 TYR 105 HE1 TYR 105 -0.617 3.452 3.750
837 HE2 TYR 105 HE2 TYR 105 0.052 6.050 7.065
838 HH TYR 105 HH TYR 105 1.534 4.430 6.317
839 H LEU 106 H LEU 106 -4.858 6.588 2.490
840 HA LEU 106 HA LEU 106 -2.328 7.035 1.408
841 1HB LEU 106 2HB LEU 106 -5.033 7.198 0.075
842 2HB LEU 106 1HB LEU 106 -3.502 7.109 -0.778
843 HG LEU 106 HG LEU 106 -4.484 4.972 1.108
844 1HD1 LEU 106 1HD1 LEU 106 -4.651 5.097 -1.901
845 2HD1 LEU 106 2HD1 LEU 106 -6.009 5.162 -0.778
846 3HD1 LEU 106 3HD1 LEU 106 -5.041 3.693 -0.905
847 1HD2 LEU 106 1HD2 LEU 106 -2.289 4.984 -0.960
848 2HD2 LEU 106 2HD2 LEU 106 -2.739 3.631 0.080
849 3HD2 LEU 106 3HD2 LEU 106 -2.055 5.099 0.784
850 H ASN 107 H ASN 107 -5.119 9.163 1.636
851 HA ASN 107 HA ASN 107 -3.957 11.321 0.209
852 1HB ASN 107 2HB ASN 107 -6.307 11.165 2.109
853 2HB ASN 107 1HB ASN 107 -5.883 12.606 1.201
854 1HD2 ASN 107 1HD2 ASN 107 -7.356 9.500 1.096
855 2HD2 ASN 107 2HD2 ASN 107 -7.911 9.573 -0.536
856 H GLY 108 H GLY 108 -4.371 10.624 3.665
857 1HA GLY 108 2HA GLY 108 -3.215 13.083 4.528
858 2HA GLY 108 1HA GLY 108 -3.532 11.675 5.528
859 H LEU 109 H LEU 109 -1.864 9.968 3.726
860 HA LEU 109 HA LEU 109 0.636 10.429 5.048
861 1HB LEU 109 2HB LEU 109 -0.131 8.158 4.615
862 2HB LEU 109 1HB LEU 109 -0.136 8.469 2.889
863 HG LEU 109 HG LEU 109 2.344 8.820 3.019
864 1HD1 LEU 109 1HD1 LEU 109 1.988 7.701 5.796
865 2HD1 LEU 109 2HD1 LEU 109 2.511 9.335 5.394
866 3HD1 LEU 109 3HD1 LEU 109 3.527 7.955 4.973
867 1HD2 LEU 109 1HD2 LEU 109 2.865 6.427 3.163
868 2HD2 LEU 109 2HD2 LEU 109 1.408 6.734 2.218
869 3HD2 LEU 109 3HD2 LEU 109 1.277 6.135 3.871
870 H PHE 110 H PHE 110 -0.256 10.235 1.603
871 HA PHE 110 HA PHE 110 2.281 11.130 0.738
872 1HB PHE 110 2HB PHE 110 -0.349 10.961 -0.734
873 2HB PHE 110 1HB PHE 110 1.205 11.289 -1.501
874 HD1 PHE 110 HD1 PHE 110 2.980 9.469 -0.057
875 HD2 PHE 110 HD2 PHE 110 -0.966 8.857 -1.520
876 HE1 PHE 110 HE1 PHE 110 3.421 7.060 -0.209
877 HE2 PHE 110 HE2 PHE 110 -0.535 6.438 -1.677
878 HZ PHE 110 HZ PHE 110 1.662 5.542 -1.016
879 H GLY 111 H GLY 111 -0.855 12.855 1.034
880 1HA GLY 111 2HA GLY 111 0.761 15.247 1.401
881 2HA GLY 111 1HA GLY 111 -0.463 15.276 0.139
882 H ASP 112 H ASP 112 -2.185 16.227 0.730
883 HA ASP 112 HA ASP 112 -4.046 15.908 2.499
884 1HB ASP 112 2HB ASP 112 -1.998 16.374 4.137
885 2HB ASP 112 1HB ASP 112 -2.275 18.038 3.646
Start of MODEL 17
1 1H MET 1 1HT MET 1 -11.405 -8.171 10.571
2 2H MET 1 2HT MET 1 -10.248 -8.687 11.695
3 3H MET 1 3HT MET 1 -11.480 -9.743 11.196
4 HA MET 1 HA MET 1 -9.400 -10.295 10.129
5 1HB MET 1 2HB MET 1 -10.184 -10.315 7.829
6 2HB MET 1 1HB MET 1 -11.534 -10.652 8.903
7 1HG MET 1 2HG MET 1 -10.945 -7.963 7.686
8 2HG MET 1 1HG MET 1 -12.067 -9.138 7.008
9 1HE MET 1 1HE MET 1 -14.432 -9.691 7.996
10 2HE MET 1 2HE MET 1 -14.927 -9.241 9.626
11 3HE MET 1 3HE MET 1 -13.585 -10.359 9.392
12 H TYR 2 H TYR 2 -7.900 -9.683 8.371
13 HA TYR 2 HA TYR 2 -7.370 -6.798 8.370
14 1HB TYR 2 2HB TYR 2 -5.539 -9.160 7.994
15 2HB TYR 2 1HB TYR 2 -5.067 -7.537 7.498
16 HD1 TYR 2 HD1 TYR 2 -5.837 -9.699 10.374
17 HD2 TYR 2 HD2 TYR 2 -4.533 -5.850 9.125
18 HE1 TYR 2 HE1 TYR 2 -5.115 -9.208 12.669
19 HE2 TYR 2 HE2 TYR 2 -3.798 -5.346 11.412
20 HH TYR 2 HH TYR 2 -4.393 -6.132 13.754
21 H LEU 3 H LEU 3 -6.787 -5.804 6.408
22 HA LEU 3 HA LEU 3 -8.421 -6.610 4.240
23 1HB LEU 3 2HB LEU 3 -6.225 -4.548 4.282
24 2HB LEU 3 1HB LEU 3 -7.489 -4.689 3.073
25 HG LEU 3 HG LEU 3 -7.871 -3.969 5.979
26 1HD1 LEU 3 1HD1 LEU 3 -8.201 -2.344 3.467
27 2HD1 LEU 3 2HD1 LEU 3 -6.875 -2.205 4.624
28 3HD1 LEU 3 3HD1 LEU 3 -8.519 -1.801 5.115
29 1HD2 LEU 3 1HD2 LEU 3 -9.747 -5.294 5.164
30 2HD2 LEU 3 2HD2 LEU 3 -9.896 -4.240 3.756
31 3HD2 LEU 3 3HD2 LEU 3 -10.219 -3.605 5.370
32 H ARG 4 H ARG 4 -7.987 -8.245 2.988
33 HA ARG 4 HA ARG 4 -5.355 -9.185 2.454
34 1HB ARG 4 2HB ARG 4 -8.074 -9.880 1.346
35 2HB ARG 4 1HB ARG 4 -6.604 -10.616 0.721
36 1HG ARG 4 2HG ARG 4 -6.073 -11.431 2.978
37 2HG ARG 4 1HG ARG 4 -7.586 -10.739 3.565
38 1HD ARG 4 2HD ARG 4 -8.843 -12.199 2.076
39 2HD ARG 4 1HD ARG 4 -7.337 -12.863 1.438
40 HE ARG 4 HE ARG 4 -6.933 -13.610 3.826
41 1HH1 ARG 4 1HH1 ARG 4 -10.123 -13.265 2.443
42 2HH1 ARG 4 2HH1 ARG 4 -10.863 -14.392 3.533
43 1HH2 ARG 4 1HH2 ARG 4 -7.905 -15.145 5.247
44 2HH2 ARG 4 2HH2 ARG 4 -9.611 -15.457 5.116
45 HA PRO 5 HA PRO 5 -3.637 -6.929 -0.761
46 1HB PRO 5 2HB PRO 5 -3.567 -8.788 -2.885
47 2HB PRO 5 1HB PRO 5 -2.318 -8.537 -1.662
48 1HG PRO 5 2HG PRO 5 -4.498 -10.565 -1.749
49 2HG PRO 5 1HG PRO 5 -2.830 -10.725 -1.166
50 1HD PRO 5 2HD PRO 5 -4.823 -10.516 0.562
51 2HD PRO 5 1HD PRO 5 -3.310 -9.636 0.850
52 H ASP 6 H ASP 6 -6.404 -8.807 -1.983
53 HA ASP 6 HA ASP 6 -6.917 -7.248 -4.253
54 1HB ASP 6 2HB ASP 6 -7.925 -9.461 -3.908
55 2HB ASP 6 1HB ASP 6 -8.900 -8.811 -2.592
56 H GLU 7 H GLU 7 -8.233 -6.982 -0.956
57 HA GLU 7 HA GLU 7 -9.991 -4.840 -1.513
58 1HB GLU 7 2HB GLU 7 -8.700 -5.732 1.065
59 2HB GLU 7 1HB GLU 7 -9.883 -4.436 0.979
60 1HG GLU 7 2HG GLU 7 -10.327 -7.315 0.219
61 2HG GLU 7 1HG GLU 7 -10.922 -6.507 1.667
62 H VAL 8 H VAL 8 -6.613 -4.982 -0.565
63 HA VAL 8 HA VAL 8 -6.224 -2.245 -0.032
64 HB VAL 8 HB VAL 8 -4.203 -4.203 -1.150
65 1HG1 VAL 8 1HG1 VAL 8 -3.467 -1.889 -1.328
66 2HG1 VAL 8 2HG1 VAL 8 -2.536 -2.747 -0.099
67 3HG1 VAL 8 3HG1 VAL 8 -3.816 -1.633 0.383
68 1HG2 VAL 8 1HG2 VAL 8 -3.547 -4.562 1.193
69 2HG2 VAL 8 2HG2 VAL 8 -5.202 -5.078 0.878
70 3HG2 VAL 8 3HG2 VAL 8 -4.901 -3.555 1.712
71 H ALA 9 H ALA 9 -5.800 -4.148 -3.000
72 HA ALA 9 HA ALA 9 -5.000 -2.056 -4.685
73 1HB ALA 9 1HB ALA 9 -5.662 -3.518 -6.525
74 2HB ALA 9 2HB ALA 9 -6.537 -4.553 -5.395
75 3HB ALA 9 3HB ALA 9 -4.781 -4.413 -5.285
76 H ARG 10 H ARG 10 -8.189 -3.180 -3.719
77 HA ARG 10 HA ARG 10 -9.788 -1.813 -5.542
78 1HB ARG 10 2HB ARG 10 -10.575 -3.516 -3.894
79 2HB ARG 10 1HB ARG 10 -10.408 -2.314 -2.623
80 1HG ARG 10 2HG ARG 10 -12.028 -0.886 -3.929
81 2HG ARG 10 1HG ARG 10 -12.323 -2.301 -4.940
82 1HD ARG 10 2HD ARG 10 -12.853 -1.983 -1.993
83 2HD ARG 10 1HD ARG 10 -14.026 -2.244 -3.282
84 HE ARG 10 HE ARG 10 -12.520 -4.233 -1.886
85 1HH1 ARG 10 1HH1 ARG 10 -14.064 -3.505 -4.955
86 2HH1 ARG 10 2HH1 ARG 10 -14.247 -5.178 -5.395
87 1HH2 ARG 10 1HH2 ARG 10 -12.787 -6.410 -2.450
88 2HH2 ARG 10 2HH2 ARG 10 -13.535 -6.827 -3.965
89 H VAL 11 H VAL 11 -8.607 -0.768 -2.367
90 HA VAL 11 HA VAL 11 -9.874 1.764 -2.427
91 HB VAL 11 HB VAL 11 -7.436 0.954 -0.828
92 1HG1 VAL 11 1HG1 VAL 11 -9.438 3.171 -0.404
93 2HG1 VAL 11 2HG1 VAL 11 -7.756 3.364 -0.900
94 3HG1 VAL 11 3HG1 VAL 11 -8.136 2.736 0.705
95 1HG2 VAL 11 1HG2 VAL 11 -9.284 -0.572 -0.430
96 2HG2 VAL 11 2HG2 VAL 11 -10.365 0.788 -0.128
97 3HG2 VAL 11 3HG2 VAL 11 -9.028 0.465 0.974
98 H LEU 12 H LEU 12 -6.612 0.681 -3.280
99 HA LEU 12 HA LEU 12 -5.498 3.194 -3.830
100 1HB LEU 12 2HB LEU 12 -4.903 0.499 -5.050
101 2HB LEU 12 1HB LEU 12 -3.922 1.930 -5.300
102 HG LEU 12 HG LEU 12 -4.408 0.614 -2.624
103 1HD1 LEU 12 1HD1 LEU 12 -1.978 0.587 -4.409
104 2HD1 LEU 12 2HD1 LEU 12 -3.051 -0.778 -4.091
105 3HD1 LEU 12 3HD1 LEU 12 -2.078 -0.096 -2.785
106 1HD2 LEU 12 1HD2 LEU 12 -2.645 2.107 -1.829
107 2HD2 LEU 12 2HD2 LEU 12 -4.016 3.020 -2.456
108 3HD2 LEU 12 3HD2 LEU 12 -2.552 2.857 -3.425
109 H GLU 13 H GLU 13 -7.175 0.914 -5.966
110 HA GLU 13 HA GLU 13 -6.951 2.326 -8.358
111 1HB GLU 13 2HB GLU 13 -7.811 -0.036 -7.960
112 2HB GLU 13 1HB GLU 13 -9.348 0.688 -7.522
113 1HG GLU 13 2HG GLU 13 -8.142 1.387 -10.147
114 2HG GLU 13 1HG GLU 13 -8.884 -0.198 -9.948
115 H LYS 14 H LYS 14 -9.308 2.589 -5.757
116 HA LYS 14 HA LYS 14 -11.017 4.506 -6.942
117 1HB LYS 14 2HB LYS 14 -11.461 3.108 -4.883
118 2HB LYS 14 1HB LYS 14 -10.400 4.188 -4.008
119 1HG LYS 14 2HG LYS 14 -11.927 6.070 -4.801
120 2HG LYS 14 1HG LYS 14 -13.072 4.792 -5.219
121 1HD LYS 14 2HD LYS 14 -13.575 5.613 -3.007
122 2HD LYS 14 1HD LYS 14 -12.934 3.973 -2.883
123 1HE LYS 14 2HE LYS 14 -11.907 5.272 -1.172
124 2HE LYS 14 1HE LYS 14 -10.690 4.977 -2.412
125 1HZ LYS 14 1HZ LYS 14 -12.118 7.482 -1.782
126 2HZ LYS 14 2HZ LYS 14 -11.430 7.253 -3.311
127 3HZ LYS 14 3HZ LYS 14 -10.450 7.216 -1.928
128 H ALA 15 H ALA 15 -8.245 4.737 -4.810
129 HA ALA 15 HA ALA 15 -8.301 7.518 -4.369
130 1HB ALA 15 1HB ALA 15 -7.121 5.971 -2.915
131 2HB ALA 15 2HB ALA 15 -6.047 7.244 -3.493
132 3HB ALA 15 3HB ALA 15 -5.962 5.631 -4.200
133 H GLY 16 H GLY 16 -7.631 5.948 -7.234
134 1HA GLY 16 2HA GLY 16 -7.213 7.155 -9.237
135 2HA GLY 16 1HA GLY 16 -6.384 8.382 -8.293
136 H PHE 17 H PHE 17 -5.774 5.003 -7.825
137 HA PHE 17 HA PHE 17 -3.012 5.406 -8.694
138 1HB PHE 17 2HB PHE 17 -4.396 3.484 -6.877
139 2HB PHE 17 1HB PHE 17 -2.873 3.031 -7.610
140 HD1 PHE 17 HD1 PHE 17 -4.495 5.521 -5.424
141 HD2 PHE 17 HD2 PHE 17 -0.832 3.829 -6.772
142 HE1 PHE 17 HE1 PHE 17 -3.292 6.712 -3.640
143 HE2 PHE 17 HE2 PHE 17 0.380 5.019 -4.994
144 HZ PHE 17 HZ PHE 17 -0.853 6.462 -3.423
145 H THR 18 H THR 18 -1.963 3.993 -10.090
146 HA THR 18 HA THR 18 -3.617 2.028 -11.522
147 HB THR 18 HB THR 18 -2.340 2.634 -13.620
148 HG1 THR 18 HG1 THR 18 -1.401 4.622 -11.874
149 1HG2 THR 18 1HG2 THR 18 -4.105 4.799 -12.463
150 2HG2 THR 18 2HG2 THR 18 -4.662 3.342 -13.286
151 3HG2 THR 18 3HG2 THR 18 -3.745 4.560 -14.174
152 H VAL 19 H VAL 19 -2.452 0.175 -12.250
153 HA VAL 19 HA VAL 19 -0.034 -0.274 -10.702
154 HB VAL 19 HB VAL 19 -1.884 -1.973 -10.821
155 1HG1 VAL 19 1HG1 VAL 19 -2.389 -1.806 -13.203
156 2HG1 VAL 19 2HG1 VAL 19 -1.993 -3.461 -12.741
157 3HG1 VAL 19 3HG1 VAL 19 -0.800 -2.474 -13.586
158 1HG2 VAL 19 1HG2 VAL 19 -0.365 -3.901 -10.963
159 2HG2 VAL 19 2HG2 VAL 19 0.302 -2.580 -10.005
160 3HG2 VAL 19 3HG2 VAL 19 0.873 -2.851 -11.651
161 H ASP 20 H ASP 20 1.982 -0.493 -11.489
162 HA ASP 20 HA ASP 20 2.374 0.007 -14.357
163 1HB ASP 20 2HB ASP 20 3.562 1.566 -12.966
164 2HB ASP 20 1HB ASP 20 4.230 0.267 -11.985
165 H VAL 21 H VAL 21 3.634 -2.033 -11.746
166 HA VAL 21 HA VAL 21 4.360 -4.034 -13.778
167 HB VAL 21 HB VAL 21 6.380 -3.025 -12.823
168 1HG1 VAL 21 1HG1 VAL 21 5.320 -3.974 -10.151
169 2HG1 VAL 21 2HG1 VAL 21 5.522 -2.299 -10.669
170 3HG1 VAL 21 3HG1 VAL 21 6.936 -3.322 -10.437
171 1HG2 VAL 21 1HG2 VAL 21 5.921 -5.841 -11.848
172 2HG2 VAL 21 2HG2 VAL 21 7.493 -5.071 -12.070
173 3HG2 VAL 21 3HG2 VAL 21 6.454 -5.372 -13.463
174 H VAL 22 H VAL 22 3.640 -6.101 -13.435
175 HA VAL 22 HA VAL 22 2.685 -6.692 -10.723
176 HB VAL 22 HB VAL 22 0.957 -8.075 -11.457
177 1HG1 VAL 22 1HG1 VAL 22 0.383 -5.747 -11.704
178 2HG1 VAL 22 2HG1 VAL 22 -0.418 -6.705 -12.950
179 3HG1 VAL 22 3HG1 VAL 22 1.003 -5.743 -13.355
180 1HG2 VAL 22 1HG2 VAL 22 2.051 -9.376 -13.149
181 2HG2 VAL 22 2HG2 VAL 22 2.126 -7.983 -14.234
182 3HG2 VAL 22 3HG2 VAL 22 0.565 -8.702 -13.829
183 H THR 23 H THR 23 3.710 -8.236 -9.712
184 HA THR 23 HA THR 23 5.102 -10.286 -11.305
185 HB THR 23 HB THR 23 6.795 -10.491 -9.572
186 HG1 THR 23 HG1 THR 23 5.879 -8.223 -8.191
187 1HG2 THR 23 1HG2 THR 23 6.449 -7.581 -10.300
188 2HG2 THR 23 2HG2 THR 23 7.212 -8.808 -11.309
189 3HG2 THR 23 3HG2 THR 23 7.946 -8.352 -9.773
190 H ASN 24 H ASN 24 5.296 -12.372 -10.022
191 HA ASN 24 HA ASN 24 2.733 -13.071 -9.006
192 1HB ASN 24 2HB ASN 24 3.668 -15.276 -8.600
193 2HB ASN 24 1HB ASN 24 4.249 -14.685 -10.152
194 1HD2 ASN 24 1HD2 ASN 24 5.344 -16.704 -8.329
195 2HD2 ASN 24 2HD2 ASN 24 6.961 -16.201 -7.982
196 H LYS 25 H LYS 25 5.024 -11.258 -7.645
197 HA LYS 25 HA LYS 25 4.552 -12.186 -4.897
198 1HB LYS 25 2HB LYS 25 6.751 -10.407 -5.969
199 2HB LYS 25 1HB LYS 25 6.595 -10.967 -4.311
200 1HG LYS 25 2HG LYS 25 6.849 -12.897 -6.585
201 2HG LYS 25 1HG LYS 25 8.264 -12.147 -5.847
202 1HD LYS 25 2HD LYS 25 6.175 -13.633 -4.274
203 2HD LYS 25 1HD LYS 25 7.619 -14.406 -4.933
204 1HE LYS 25 2HE LYS 25 9.045 -12.999 -3.624
205 2HE LYS 25 1HE LYS 25 7.680 -12.017 -3.101
206 1HZ LYS 25 1HZ LYS 25 8.063 -14.887 -2.450
207 2HZ LYS 25 2HZ LYS 25 6.804 -13.892 -1.898
208 3HZ LYS 25 3HZ LYS 25 8.398 -13.601 -1.398
209 H THR 26 H THR 26 4.231 -9.478 -7.132
210 HA THR 26 HA THR 26 3.094 -7.837 -4.984
211 HB THR 26 HB THR 26 4.464 -5.873 -5.650
212 HG1 THR 26 HG1 THR 26 5.855 -6.035 -7.228
213 1HG2 THR 26 1HG2 THR 26 6.467 -6.519 -4.471
214 2HG2 THR 26 2HG2 THR 26 6.051 -8.222 -4.674
215 3HG2 THR 26 3HG2 THR 26 5.034 -7.174 -3.684
216 H TYR 27 H TYR 27 1.862 -6.090 -5.636
217 HA TYR 27 HA TYR 27 1.680 -5.646 -8.517
218 1HB TYR 27 2HB TYR 27 -0.183 -4.872 -6.276
219 2HB TYR 27 1HB TYR 27 -0.272 -4.106 -7.851
220 HD1 TYR 27 HD1 TYR 27 -0.232 -6.060 -9.823
221 HD2 TYR 27 HD2 TYR 27 -1.825 -6.405 -5.893
222 HE1 TYR 27 HE1 TYR 27 -1.787 -7.792 -10.610
223 HE2 TYR 27 HE2 TYR 27 -3.375 -8.146 -6.667
224 HH TYR 27 HH TYR 27 -4.463 -8.734 -8.924
225 H GLY 28 H GLY 28 3.105 -4.161 -9.161
226 1HA GLY 28 2HA GLY 28 4.095 -2.128 -7.355
227 2HA GLY 28 1HA GLY 28 4.528 -2.326 -9.047
228 H TYR 29 H TYR 29 2.455 -0.804 -6.798
229 HA TYR 29 HA TYR 29 0.695 0.253 -8.871
230 1HB TYR 29 2HB TYR 29 0.467 -0.423 -6.061
231 2HB TYR 29 1HB TYR 29 -0.137 1.192 -6.377
232 HD1 TYR 29 HD1 TYR 29 -2.033 1.506 -7.949
233 HD2 TYR 29 HD2 TYR 29 -0.663 -2.362 -6.859
234 HE1 TYR 29 HE1 TYR 29 -4.120 0.535 -8.816
235 HE2 TYR 29 HE2 TYR 29 -2.739 -3.352 -7.721
236 HH TYR 29 HH TYR 29 -5.070 -2.648 -8.166
237 H ARG 30 H ARG 30 0.553 2.409 -9.377
238 HA ARG 30 HA ARG 30 2.297 4.246 -7.912
239 1HB ARG 30 2HB ARG 30 3.306 5.086 -9.967
240 2HB ARG 30 1HB ARG 30 3.647 3.373 -9.756
241 1HG ARG 30 2HG ARG 30 1.988 2.787 -11.384
242 2HG ARG 30 1HG ARG 30 1.468 4.467 -11.518
243 1HD ARG 30 2HD ARG 30 3.674 5.075 -12.391
244 2HD ARG 30 1HD ARG 30 4.190 3.394 -12.260
245 HE ARG 30 HE ARG 30 1.828 3.604 -13.806
246 1HH1 ARG 30 1HH1 ARG 30 5.267 4.271 -14.027
247 2HH1 ARG 30 2HH1 ARG 30 5.337 3.918 -15.727
248 1HH2 ARG 30 1HH2 ARG 30 1.915 3.205 -16.021
249 2HH2 ARG 30 2HH2 ARG 30 3.430 3.331 -16.868
250 H ARG 31 H ARG 31 1.690 6.319 -7.896
251 HA ARG 31 HA ARG 31 -0.346 7.264 -9.775
252 1HB ARG 31 2HB ARG 31 -1.527 6.713 -7.664
253 2HB ARG 31 1HB ARG 31 -0.436 7.777 -6.789
254 1HG ARG 31 2HG ARG 31 -1.272 9.680 -8.105
255 2HG ARG 31 1HG ARG 31 -2.406 8.595 -8.914
256 1HD ARG 31 2HD ARG 31 -3.520 9.777 -7.115
257 2HD ARG 31 1HD ARG 31 -3.416 8.057 -6.740
258 HE ARG 31 HE ARG 31 -1.192 9.277 -5.603
259 1HH1 ARG 31 1HH1 ARG 31 -4.670 9.333 -5.257
260 2HH1 ARG 31 2HH1 ARG 31 -4.631 9.805 -3.588
261 1HH2 ARG 31 1HH2 ARG 31 -1.108 9.874 -3.405
262 2HH2 ARG 31 2HH2 ARG 31 -2.590 10.117 -2.530
263 H GLY 32 H GLY 32 1.210 8.422 -10.878
264 1HA GLY 32 2HA GLY 32 2.668 10.161 -11.294
265 2HA GLY 32 1HA GLY 32 2.213 10.837 -9.732
266 H GLU 33 H GLU 33 3.776 10.914 -8.255
267 HA GLU 33 HA GLU 33 6.087 9.139 -8.568
268 1HB GLU 33 2HB GLU 33 5.675 11.715 -7.077
269 2HB GLU 33 1HB GLU 33 7.052 10.678 -6.740
270 1HG GLU 33 2HG GLU 33 7.718 12.398 -8.259
271 2HG GLU 33 1HG GLU 33 7.720 10.855 -9.107
272 H ASN 34 H ASN 34 3.278 8.770 -7.231
273 HA ASN 34 HA ASN 34 4.115 7.841 -4.592
274 1HB ASN 34 2HB ASN 34 1.440 7.899 -6.007
275 2HB ASN 34 1HB ASN 34 1.668 7.118 -4.452
276 1HD2 ASN 34 1HD2 ASN 34 3.493 9.966 -5.091
277 2HD2 ASN 34 2HD2 ASN 34 2.566 11.037 -4.104
278 H TYR 35 H TYR 35 5.394 6.051 -4.883
279 HA TYR 35 HA TYR 35 4.305 3.874 -6.540
280 1HB TYR 35 2HB TYR 35 7.165 4.363 -5.681
281 2HB TYR 35 1HB TYR 35 6.609 2.996 -6.637
282 HD1 TYR 35 HD1 TYR 35 7.751 6.389 -6.721
283 HD2 TYR 35 HD2 TYR 35 5.561 3.464 -8.904
284 HE1 TYR 35 HE1 TYR 35 8.085 7.685 -8.781
285 HE2 TYR 35 HE2 TYR 35 5.883 4.756 -10.975
286 HH TYR 35 HH TYR 35 6.452 6.893 -11.739
287 H VAL 36 H VAL 36 3.407 2.284 -5.461
288 HA VAL 36 HA VAL 36 4.581 1.470 -2.888
289 HB VAL 36 HB VAL 36 2.331 0.935 -2.030
290 1HG1 VAL 36 1HG1 VAL 36 2.640 3.813 -2.871
291 2HG1 VAL 36 2HG1 VAL 36 3.348 3.067 -1.440
292 3HG1 VAL 36 3HG1 VAL 36 1.597 3.225 -1.576
293 1HG2 VAL 36 1HG2 VAL 36 0.339 1.833 -3.154
294 2HG2 VAL 36 2HG2 VAL 36 1.161 0.617 -4.133
295 3HG2 VAL 36 3HG2 VAL 36 1.344 2.329 -4.517
296 H TYR 37 H TYR 37 4.272 -0.767 -2.364
297 HA TYR 37 HA TYR 37 3.763 -2.446 -4.745
298 1HB TYR 37 2HB TYR 37 5.649 -2.984 -2.432
299 2HB TYR 37 1HB TYR 37 5.360 -4.060 -3.794
300 HD1 TYR 37 HD1 TYR 37 7.193 -1.209 -2.584
301 HD2 TYR 37 HD2 TYR 37 6.057 -3.329 -6.093
302 HE1 TYR 37 HE1 TYR 37 8.990 -0.096 -3.831
303 HE2 TYR 37 HE2 TYR 37 7.858 -2.222 -7.350
304 HH TYR 37 HH TYR 37 9.226 -0.222 -7.232
305 H VAL 38 H VAL 38 1.877 -3.494 -4.505
306 HA VAL 38 HA VAL 38 0.870 -4.126 -1.847
307 HB VAL 38 HB VAL 38 -0.357 -4.829 -4.519
308 1HG1 VAL 38 1HG1 VAL 38 -1.226 -6.155 -2.687
309 2HG1 VAL 38 2HG1 VAL 38 -2.442 -5.007 -3.244
310 3HG1 VAL 38 3HG1 VAL 38 -1.549 -4.693 -1.755
311 1HG2 VAL 38 1HG2 VAL 38 -0.068 -2.418 -4.350
312 2HG2 VAL 38 2HG2 VAL 38 -0.875 -2.423 -2.782
313 3HG2 VAL 38 3HG2 VAL 38 -1.771 -2.857 -4.236
314 H ASN 39 H ASN 39 1.301 -5.992 -0.868
315 HA ASN 39 HA ASN 39 2.830 -8.012 -2.202
316 1HB ASN 39 2HB ASN 39 3.076 -7.399 0.227
317 2HB ASN 39 1HB ASN 39 1.539 -8.209 0.520
318 1HD2 ASN 39 1HD2 ASN 39 4.867 -8.616 -0.346
319 2HD2 ASN 39 2HD2 ASN 39 4.939 -10.332 -0.098
320 H ARG 40 H ARG 40 2.051 -9.670 -3.360
321 HA ARG 40 HA ARG 40 -0.828 -10.108 -3.412
322 1HB ARG 40 2HB ARG 40 1.421 -11.172 -5.120
323 2HB ARG 40 1HB ARG 40 -0.268 -11.605 -5.349
324 1HG ARG 40 2HG ARG 40 -0.811 -9.269 -5.790
325 2HG ARG 40 1HG ARG 40 0.882 -8.831 -5.545
326 1HD ARG 40 2HD ARG 40 0.367 -9.025 -7.915
327 2HD ARG 40 1HD ARG 40 1.529 -10.252 -7.417
328 HE ARG 40 HE ARG 40 -0.797 -11.584 -7.211
329 1HH1 ARG 40 1HH1 ARG 40 0.583 -9.641 -9.774
330 2HH1 ARG 40 2HH1 ARG 40 -0.270 -10.472 -11.044
331 1HH2 ARG 40 1HH2 ARG 40 -1.896 -12.698 -8.871
332 2HH2 ARG 40 2HH2 ARG 40 -1.675 -12.212 -10.524
333 H GLU 41 H GLU 41 1.321 -11.181 -1.369
334 HA GLU 41 HA GLU 41 0.380 -13.976 -1.419
335 1HB GLU 41 2HB GLU 41 2.953 -13.007 -0.174
336 2HB GLU 41 1HB GLU 41 2.474 -14.666 -0.513
337 1HG GLU 41 2HG GLU 41 2.636 -14.255 -2.895
338 2HG GLU 41 1HG GLU 41 3.042 -12.565 -2.593
339 H ALA 42 H ALA 42 -0.496 -11.321 -0.078
340 HA ALA 42 HA ALA 42 0.024 -11.860 2.718
341 1HB ALA 42 1HB ALA 42 0.088 -9.569 1.913
342 2HB ALA 42 2HB ALA 42 -1.168 -9.773 3.133
343 3HB ALA 42 3HB ALA 42 -1.603 -9.680 1.429
344 H ARG 43 H ARG 43 -1.059 -13.763 3.165
345 HA ARG 43 HA ARG 43 -3.912 -13.967 2.834
346 1HB ARG 43 2HB ARG 43 -2.087 -15.513 4.698
347 2HB ARG 43 1HB ARG 43 -3.725 -15.957 4.234
348 1HG ARG 43 2HG ARG 43 -3.023 -16.299 1.946
349 2HG ARG 43 1HG ARG 43 -1.388 -15.769 2.347
350 1HD ARG 43 2HD ARG 43 -1.276 -17.650 3.992
351 2HD ARG 43 1HD ARG 43 -2.818 -18.220 3.355
352 HE ARG 43 HE ARG 43 -1.097 -17.904 1.192
353 1HH1 ARG 43 1HH1 ARG 43 -1.338 -19.883 4.078
354 2HH1 ARG 43 2HH1 ARG 43 -0.461 -21.214 3.383
355 1HH2 ARG 43 1HH2 ARG 43 0.039 -19.644 0.287
356 2HH2 ARG 43 2HH2 ARG 43 0.331 -21.081 1.225
357 H MET 44 H MET 44 -1.622 -12.899 5.199
358 HA MET 44 HA MET 44 -3.808 -11.862 6.879
359 1HB MET 44 2HB MET 44 -0.905 -12.153 7.675
360 2HB MET 44 1HB MET 44 -2.271 -11.807 8.723
361 1HG MET 44 2HG MET 44 -1.732 -14.395 7.289
362 2HG MET 44 1HG MET 44 -1.514 -14.083 9.009
363 1HE MET 44 1HE MET 44 -4.578 -16.542 8.850
364 2HE MET 44 2HE MET 44 -2.951 -16.287 9.481
365 3HE MET 44 3HE MET 44 -3.198 -16.521 7.750
366 H GLY 45 H GLY 45 -4.198 -9.807 6.318
367 1HA GLY 45 2HA GLY 45 -2.370 -8.171 4.905
368 2HA GLY 45 1HA GLY 45 -3.906 -7.660 5.580
369 H ARG 46 H ARG 46 -0.911 -8.840 7.124
370 HA ARG 46 HA ARG 46 -0.720 -6.313 8.602
371 1HB ARG 46 2HB ARG 46 0.469 -9.048 8.954
372 2HB ARG 46 1HB ARG 46 1.247 -7.657 9.686
373 1HG ARG 46 2HG ARG 46 -0.826 -7.151 10.896
374 2HG ARG 46 1HG ARG 46 -1.571 -8.584 10.180
375 1HD ARG 46 2HD ARG 46 -0.695 -8.925 12.497
376 2HD ARG 46 1HD ARG 46 -0.028 -10.029 11.296
377 HE ARG 46 HE ARG 46 2.037 -8.884 11.411
378 1HH1 ARG 46 1HH1 ARG 46 -0.330 -7.715 13.723
379 2HH1 ARG 46 2HH1 ARG 46 0.849 -6.870 14.687
380 1HH2 ARG 46 1HH2 ARG 46 3.589 -7.818 12.715
381 2HH2 ARG 46 2HH2 ARG 46 3.073 -6.945 14.127
382 H THR 47 H THR 47 0.549 -8.059 6.002
383 HA THR 47 HA THR 47 2.481 -5.992 5.445
384 HB THR 47 HB THR 47 4.251 -7.271 5.972
385 HG1 THR 47 HG1 THR 47 3.274 -8.620 3.682
386 1HG2 THR 47 1HG2 THR 47 4.154 -9.662 6.524
387 2HG2 THR 47 2HG2 THR 47 2.467 -9.704 6.007
388 3HG2 THR 47 3HG2 THR 47 2.943 -8.725 7.397
389 H ALA 48 H ALA 48 1.374 -5.252 3.845
390 HA ALA 48 HA ALA 48 1.031 -6.765 1.423
391 1HB ALA 48 1HB ALA 48 -1.400 -6.520 1.318
392 2HB ALA 48 2HB ALA 48 -1.406 -5.793 2.926
393 3HB ALA 48 3HB ALA 48 -0.932 -7.478 2.722
394 H LEU 49 H LEU 49 0.486 -3.806 3.264
395 HA LEU 49 HA LEU 49 0.628 -2.306 0.750
396 1HB LEU 49 2HB LEU 49 -1.192 -1.721 2.293
397 2HB LEU 49 1HB LEU 49 -0.017 -1.345 3.538
398 HG LEU 49 HG LEU 49 0.882 0.464 2.070
399 1HD1 LEU 49 1HD1 LEU 49 -1.531 -0.207 0.387
400 2HD1 LEU 49 2HD1 LEU 49 0.159 -0.410 -0.079
401 3HD1 LEU 49 3HD1 LEU 49 -0.494 1.207 0.180
402 1HD2 LEU 49 1HD2 LEU 49 -2.049 0.656 2.748
403 2HD2 LEU 49 2HD2 LEU 49 -0.959 2.013 2.469
404 3HD2 LEU 49 3HD2 LEU 49 -0.710 0.952 3.856
405 H ILE 50 H ILE 50 2.791 -2.411 0.238
406 HA ILE 50 HA ILE 50 4.728 -1.437 2.210
407 HB ILE 50 HB ILE 50 5.422 -2.166 -0.622
408 1HG1 ILE 50 2HG1 ILE 50 4.143 -4.079 0.246
409 2HG1 ILE 50 1HG1 ILE 50 5.845 -4.479 0.065
410 1HG2 ILE 50 1HG2 ILE 50 7.571 -2.772 0.451
411 2HG2 ILE 50 2HG2 ILE 50 6.913 -2.218 1.993
412 3HG2 ILE 50 3HG2 ILE 50 7.127 -1.076 0.666
413 1HD1 ILE 50 1HD1 ILE 50 4.486 -3.785 2.658
414 2HD1 ILE 50 2HD1 ILE 50 6.174 -4.263 2.456
415 3HD1 ILE 50 3HD1 ILE 50 4.882 -5.410 2.097
416 H ILE 51 H ILE 51 4.995 0.724 2.318
417 HA ILE 51 HA ILE 51 4.146 2.306 -0.009
418 HB ILE 51 HB ILE 51 3.697 4.129 1.526
419 1HG1 ILE 51 2HG1 ILE 51 4.495 2.245 3.753
420 2HG1 ILE 51 1HG1 ILE 51 5.545 3.510 3.123
421 1HG2 ILE 51 1HG2 ILE 51 1.927 2.500 1.121
422 2HG2 ILE 51 2HG2 ILE 51 1.831 3.137 2.762
423 3HG2 ILE 51 3HG2 ILE 51 2.497 1.529 2.478
424 1HD1 ILE 51 1HD1 ILE 51 2.872 3.920 4.436
425 2HD1 ILE 51 2HD1 ILE 51 3.916 5.192 3.801
426 3HD1 ILE 51 3HD1 ILE 51 4.452 4.210 5.165
427 H HIS 52 H HIS 52 6.964 1.226 0.717
428 HA HIS 52 HA HIS 52 9.106 1.936 0.339
429 1HB HIS 52 2HB HIS 52 8.353 3.283 -1.492
430 2HB HIS 52 1HB HIS 52 7.646 4.478 -0.422
431 HD1 HIS 52 HD1 HIS 52 9.390 6.051 0.852
432 HD2 HIS 52 HD2 HIS 52 10.936 3.778 -2.261
433 HE1 HIS 52 HE1 HIS 52 11.559 7.151 0.229
434 HE2 HIS 52 HE2 HIS 52 12.362 5.892 -1.799
435 HA PRO 53 HA PRO 53 10.392 3.443 4.372
436 1HB PRO 53 2HB PRO 53 12.896 4.357 3.575
437 2HB PRO 53 1HB PRO 53 12.518 2.708 4.076
438 1HG PRO 53 2HG PRO 53 12.751 3.848 1.326
439 2HG PRO 53 1HG PRO 53 13.278 2.268 1.937
440 1HD PRO 53 2HD PRO 53 11.058 2.513 0.468
441 2HD PRO 53 1HD PRO 53 11.135 1.376 1.830
442 H ARG 54 H ARG 54 12.001 5.559 4.940
443 HA ARG 54 HA ARG 54 12.109 7.823 5.158
444 1HB ARG 54 2HB ARG 54 12.448 8.251 2.890
445 2HB ARG 54 1HB ARG 54 10.844 7.683 2.441
446 1HG ARG 54 2HG ARG 54 9.852 9.661 3.477
447 2HG ARG 54 1HG ARG 54 11.457 10.227 3.931
448 1HD ARG 54 2HD ARG 54 10.483 9.765 1.116
449 2HD ARG 54 1HD ARG 54 10.632 11.334 1.908
450 HE ARG 54 HE ARG 54 13.100 9.920 1.962
451 1HH1 ARG 54 1HH1 ARG 54 11.042 11.836 -0.148
452 2HH1 ARG 54 2HH1 ARG 54 12.363 12.319 -1.177
453 1HH2 ARG 54 1HH2 ARG 54 14.802 10.563 0.621
454 2HH2 ARG 54 2HH2 ARG 54 14.488 11.595 -0.743
455 H LEU 55 H LEU 55 8.951 6.670 4.072
456 HA LEU 55 HA LEU 55 7.462 8.719 5.353
457 1HB LEU 55 2HB LEU 55 6.858 6.154 3.986
458 2HB LEU 55 1HB LEU 55 5.618 6.838 5.021
459 HG LEU 55 HG LEU 55 6.921 8.374 2.776
460 1HD1 LEU 55 1HD1 LEU 55 5.762 6.434 1.847
461 2HD1 LEU 55 2HD1 LEU 55 4.870 7.916 1.500
462 3HD1 LEU 55 3HD1 LEU 55 4.321 6.834 2.779
463 1HD2 LEU 55 1HD2 LEU 55 5.961 9.806 4.408
464 2HD2 LEU 55 2HD2 LEU 55 4.512 8.801 4.535
465 3HD2 LEU 55 3HD2 LEU 55 4.822 9.728 3.060
466 H LYS 56 H LYS 56 9.230 6.356 6.730
467 HA LYS 56 HA LYS 56 7.690 5.012 8.558
468 1HB LYS 56 2HB LYS 56 10.187 4.828 8.130
469 2HB LYS 56 1HB LYS 56 10.385 6.194 9.219
470 1HG LYS 56 2HG LYS 56 9.474 4.937 11.048
471 2HG LYS 56 1HG LYS 56 9.065 3.597 9.974
472 1HD LYS 56 2HD LYS 56 11.511 3.404 9.438
473 2HD LYS 56 1HD LYS 56 11.817 4.575 10.723
474 1HE LYS 56 2HE LYS 56 10.794 3.081 12.346
475 2HE LYS 56 1HE LYS 56 10.414 1.928 11.071
476 1HZ LYS 56 1HZ LYS 56 12.876 1.830 10.654
477 2HZ LYS 56 2HZ LYS 56 12.347 1.148 12.110
478 3HZ LYS 56 3HZ LYS 56 13.086 2.673 12.108
479 H ASP 57 H ASP 57 9.156 8.229 8.989
480 HA ASP 57 HA ASP 57 8.162 8.696 11.582
481 1HB ASP 57 2HB ASP 57 9.989 10.013 10.608
482 2HB ASP 57 1HB ASP 57 8.880 10.697 9.425
483 H ARG 58 H ARG 58 6.969 9.897 8.456
484 HA ARG 58 HA ARG 58 4.695 11.215 9.357
485 1HB ARG 58 2HB ARG 58 5.580 11.460 7.097
486 2HB ARG 58 1HB ARG 58 5.176 9.790 6.733
487 1HG ARG 58 2HG ARG 58 3.533 11.142 5.706
488 2HG ARG 58 1HG ARG 58 2.771 10.386 7.104
489 1HD ARG 58 2HD ARG 58 3.007 12.416 8.383
490 2HD ARG 58 1HD ARG 58 3.907 13.178 7.073
491 HE ARG 58 HE ARG 58 1.193 12.274 6.491
492 1HH1 ARG 58 1HH1 ARG 58 3.365 14.945 7.177
493 2HH1 ARG 58 2HH1 ARG 58 2.256 16.151 6.580
494 1HH2 ARG 58 1HH2 ARG 58 -0.259 13.845 5.733
495 2HH2 ARG 58 2HH2 ARG 58 0.177 15.528 5.804
496 H SER 59 H SER 59 5.005 7.879 8.184
497 HA SER 59 HA SER 59 2.291 7.211 8.340
498 1HB SER 59 2HB SER 59 4.604 5.286 8.620
499 2HB SER 59 1HB SER 59 2.981 4.943 8.028
500 HG SER 59 HG SER 59 4.984 6.505 6.795
501 H SER 60 H SER 60 4.787 7.211 10.804
502 HA SER 60 HA SER 60 3.597 5.469 12.646
503 1HB SER 60 2HB SER 60 5.392 7.852 13.138
504 2HB SER 60 1HB SER 60 4.982 6.640 14.350
505 HG SER 60 HG SER 60 6.422 6.269 11.930
506 H SER 61 H SER 61 2.600 8.563 11.647
507 HA SER 61 HA SER 61 1.077 9.026 14.102
508 1HB SER 61 2HB SER 61 1.462 10.843 11.711
509 2HB SER 61 1HB SER 61 0.729 11.283 13.253
510 HG SER 61 HG SER 61 3.427 10.716 12.660
511 H LEU 62 H LEU 62 0.647 7.378 11.312
512 HA LEU 62 HA LEU 62 -2.249 7.712 11.368
513 1HB LEU 62 2HB LEU 62 -0.555 8.163 8.912
514 2HB LEU 62 1HB LEU 62 -2.271 7.818 8.835
515 HG LEU 62 HG LEU 62 -1.134 10.182 10.321
516 1HD1 LEU 62 1HD1 LEU 62 -0.548 10.366 7.969
517 2HD1 LEU 62 2HD1 LEU 62 -1.814 11.521 8.391
518 3HD1 LEU 62 3HD1 LEU 62 -2.222 10.044 7.513
519 1HD2 LEU 62 1HD2 LEU 62 -3.357 9.484 11.026
520 2HD2 LEU 62 2HD2 LEU 62 -3.911 9.510 9.351
521 3HD2 LEU 62 3HD2 LEU 62 -3.434 11.010 10.146
522 H ALA 63 H ALA 63 -0.115 6.270 8.954
523 HA ALA 63 HA ALA 63 -1.545 3.764 9.148
524 1HB ALA 63 1HB ALA 63 0.735 4.590 7.351
525 2HB ALA 63 2HB ALA 63 -0.981 4.677 6.954
526 3HB ALA 63 3HB ALA 63 -0.212 3.109 7.205
527 H ASP 64 H ASP 64 -0.989 2.793 11.035
528 HA ASP 64 HA ASP 64 1.586 2.771 12.170
529 1HB ASP 64 2HB ASP 64 -0.547 2.356 13.413
530 2HB ASP 64 1HB ASP 64 -0.636 0.774 12.644
531 HA PRO 65 HA PRO 65 3.423 -0.404 9.614
532 1HB PRO 65 2HB PRO 65 5.698 -0.266 11.424
533 2HB PRO 65 1HB PRO 65 5.594 0.240 9.737
534 1HG PRO 65 2HG PRO 65 5.854 1.989 11.795
535 2HG PRO 65 1HG PRO 65 5.024 2.386 10.281
536 1HD PRO 65 2HD PRO 65 3.866 1.606 12.930
537 2HD PRO 65 1HD PRO 65 3.324 2.850 11.782
538 H ALA 66 H ALA 66 2.795 -2.447 9.867
539 HA ALA 66 HA ALA 66 2.310 -3.734 12.313
540 1HB ALA 66 1HB ALA 66 1.284 -4.493 10.253
541 2HB ALA 66 2HB ALA 66 2.209 -5.807 10.983
542 3HB ALA 66 3HB ALA 66 2.863 -4.930 9.598
543 H SER 67 H SER 67 5.081 -3.787 10.146
544 HA SER 67 HA SER 67 6.719 -4.659 12.416
545 1HB SER 67 2HB SER 67 6.541 -6.530 10.841
546 2HB SER 67 1HB SER 67 7.082 -5.506 9.519
547 HG SER 67 HG SER 67 8.611 -6.971 10.875
548 H ASP 68 H ASP 68 9.168 -4.196 11.584
549 HA ASP 68 HA ASP 68 9.195 -1.315 11.504
550 1HB ASP 68 2HB ASP 68 10.826 -2.771 12.832
551 2HB ASP 68 1HB ASP 68 11.621 -3.094 11.297
552 H ILE 69 H ILE 69 10.875 -3.726 9.572
553 HA ILE 69 HA ILE 69 10.219 -2.316 7.112
554 HB ILE 69 HB ILE 69 12.687 -2.725 6.398
555 1HG1 ILE 69 2HG1 ILE 69 13.097 -2.388 9.368
556 2HG1 ILE 69 1HG1 ILE 69 13.220 -3.938 8.549
557 1HG2 ILE 69 1HG2 ILE 69 13.339 -0.481 7.134
558 2HG2 ILE 69 2HG2 ILE 69 11.983 -0.461 8.261
559 3HG2 ILE 69 3HG2 ILE 69 11.685 -0.516 6.523
560 1HD1 ILE 69 1HD1 ILE 69 15.062 -3.064 7.199
561 2HD1 ILE 69 2HD1 ILE 69 15.407 -2.946 8.924
562 3HD1 ILE 69 3HD1 ILE 69 14.924 -1.508 8.020
563 H LYS 70 H LYS 70 10.532 -3.658 5.238
564 HA LYS 70 HA LYS 70 10.913 -6.498 5.884
565 1HB LYS 70 2HB LYS 70 8.495 -5.979 5.561
566 2HB LYS 70 1HB LYS 70 8.866 -5.432 3.930
567 1HG LYS 70 2HG LYS 70 9.708 -7.677 3.388
568 2HG LYS 70 1HG LYS 70 9.267 -8.214 5.006
569 1HD LYS 70 2HD LYS 70 6.914 -7.652 4.525
570 2HD LYS 70 1HD LYS 70 7.384 -7.189 2.886
571 1HE LYS 70 2HE LYS 70 8.233 -9.477 2.514
572 2HE LYS 70 1HE LYS 70 7.685 -9.921 4.128
573 1HZ LYS 70 1HZ LYS 70 5.405 -9.304 3.399
574 2HZ LYS 70 2HZ LYS 70 6.062 -10.635 2.579
575 3HZ LYS 70 3HZ LYS 70 6.003 -9.120 1.823
576 H THR 71 H THR 71 12.812 -6.925 5.009
577 HA THR 71 HA THR 71 13.593 -5.900 2.420
578 HB THR 71 HB THR 71 15.558 -7.475 2.793
579 HG1 THR 71 HG1 THR 71 14.495 -8.854 4.309
580 1HG2 THR 71 1HG2 THR 71 15.841 -5.149 3.294
581 2HG2 THR 71 2HG2 THR 71 16.540 -6.069 4.625
582 3HG2 THR 71 3HG2 THR 71 14.957 -5.314 4.809
583 H CYS 72 H CYS 72 12.894 -6.843 0.553
584 HA CYS 72 HA CYS 72 12.841 -9.648 0.201
585 1HB CYS 72 2HB CYS 72 10.904 -9.613 1.627
586 2HB CYS 72 1HB CYS 72 10.163 -8.339 0.664
587 HG CYS 72 HG CYS 72 10.918 -11.113 -1.064
588 H ASP 73 H ASP 73 13.858 -9.238 -1.707
589 HA ASP 73 HA ASP 73 13.844 -9.456 -3.949
590 1HB ASP 73 2HB ASP 73 10.906 -9.912 -3.446
591 2HB ASP 73 1HB ASP 73 11.726 -10.269 -4.961
592 H HIS 74 H HIS 74 10.574 -8.137 -4.006
593 HA HIS 74 HA HIS 74 11.524 -6.547 -6.264
594 1HB HIS 74 2HB HIS 74 8.719 -7.364 -5.497
595 2HB HIS 74 1HB HIS 74 9.142 -6.440 -6.932
596 HD1 HIS 74 HD1 HIS 74 7.861 -9.437 -6.629
597 HD2 HIS 74 HD2 HIS 74 11.672 -8.381 -7.900
598 HE1 HIS 74 HE1 HIS 74 8.683 -11.389 -7.978
599 HE2 HIS 74 HE2 HIS 74 11.037 -10.785 -8.631
600 H TYR 75 H TYR 75 11.185 -5.856 -3.137
601 HA TYR 75 HA TYR 75 9.780 -3.333 -3.448
602 1HB TYR 75 2HB TYR 75 11.478 -4.182 -1.090
603 2HB TYR 75 1HB TYR 75 10.226 -2.946 -1.119
604 HD1 TYR 75 HD1 TYR 75 10.486 -5.291 0.811
605 HD2 TYR 75 HD2 TYR 75 8.290 -4.811 -2.798
606 HE1 TYR 75 HE1 TYR 75 8.874 -6.979 1.575
607 HE2 TYR 75 HE2 TYR 75 6.667 -6.497 -2.043
608 HH TYR 75 HH TYR 75 6.796 -8.544 -0.394
609 H GLN 76 H GLN 76 11.402 -3.101 -5.329
610 HA GLN 76 HA GLN 76 14.146 -2.668 -4.775
611 1HB GLN 76 2HB GLN 76 14.315 -2.085 -7.127
612 2HB GLN 76 1HB GLN 76 13.453 -3.592 -6.886
613 1HG GLN 76 2HG GLN 76 11.323 -2.235 -7.077
614 2HG GLN 76 1HG GLN 76 12.340 -0.913 -7.642
615 1HE2 GLN 76 1HE2 GLN 76 13.387 -1.080 -9.613
616 2HE2 GLN 76 2HE2 GLN 76 12.895 -2.220 -10.819
617 H ASN 77 H ASN 77 12.013 -0.797 -3.614
618 HA ASN 77 HA ASN 77 12.443 1.794 -4.279
619 1HB ASN 77 2HB ASN 77 12.555 0.560 -1.515
620 2HB ASN 77 1HB ASN 77 12.488 2.293 -1.806
621 1HD2 ASN 77 1HD2 ASN 77 10.695 1.899 -4.138
622 2HD2 ASN 77 2HD2 ASN 77 9.142 1.564 -3.460
623 H PHE 78 H PHE 78 14.216 2.459 -5.114
624 HA PHE 78 HA PHE 78 16.700 2.067 -5.279
625 1HB PHE 78 2HB PHE 78 15.788 4.783 -4.350
626 2HB PHE 78 1HB PHE 78 17.277 4.437 -5.223
627 HD1 PHE 78 HD1 PHE 78 13.844 5.270 -5.504
628 HD2 PHE 78 HD2 PHE 78 17.050 3.347 -7.533
629 HE1 PHE 78 HE1 PHE 78 12.646 5.534 -7.636
630 HE2 PHE 78 HE2 PHE 78 15.862 3.609 -9.669
631 HZ PHE 78 HZ PHE 78 13.657 4.702 -9.722
632 HA PRO 79 HA PRO 79 17.824 3.747 -0.516
633 1HB PRO 79 2HB PRO 79 15.748 1.784 0.294
634 2HB PRO 79 1HB PRO 79 16.246 3.286 1.076
635 1HG PRO 79 2HG PRO 79 14.046 2.911 -0.685
636 2HG PRO 79 1HG PRO 79 14.636 4.437 -0.009
637 1HD PRO 79 2HD PRO 79 14.681 3.746 -2.697
638 2HD PRO 79 1HD PRO 79 15.692 5.001 -1.950
639 H LEU 80 H LEU 80 16.497 0.512 -1.182
640 HA LEU 80 HA LEU 80 17.371 -1.596 -1.011
641 1HB LEU 80 2HB LEU 80 18.056 -0.843 -3.203
642 2HB LEU 80 1HB LEU 80 19.498 -0.111 -2.542
643 HG LEU 80 HG LEU 80 19.712 -2.307 -3.833
644 1HD1 LEU 80 1HD1 LEU 80 21.533 -3.093 -2.425
645 2HD1 LEU 80 2HD1 LEU 80 20.936 -2.104 -1.093
646 3HD1 LEU 80 3HD1 LEU 80 21.540 -1.335 -2.561
647 1HD2 LEU 80 1HD2 LEU 80 18.750 -3.412 -1.206
648 2HD2 LEU 80 2HD2 LEU 80 19.417 -4.344 -2.546
649 3HD2 LEU 80 3HD2 LEU 80 17.885 -3.492 -2.741
650 H TYR 81 H TYR 81 17.849 -2.442 0.860
651 HA TYR 81 HA TYR 81 19.362 -1.213 2.850
652 1HB TYR 81 2HB TYR 81 17.581 -2.993 3.133
653 2HB TYR 81 1HB TYR 81 18.804 -4.178 2.684
654 HD1 TYR 81 HD1 TYR 81 20.471 -4.877 4.249
655 HD2 TYR 81 HD2 TYR 81 17.823 -1.698 5.228
656 HE1 TYR 81 HE1 TYR 81 21.210 -4.989 6.591
657 HE2 TYR 81 HE2 TYR 81 18.554 -1.798 7.572
658 HH TYR 81 HH TYR 81 21.302 -3.420 8.566
659 H LEU 82 H LEU 82 21.458 -0.815 2.774
660 HA LEU 82 HA LEU 82 23.278 -2.538 1.337
661 1HB LEU 82 2HB LEU 82 23.748 -0.020 2.936
662 2HB LEU 82 1HB LEU 82 24.988 -0.868 2.033
663 HG LEU 82 HG LEU 82 22.536 0.436 0.841
664 1HD1 LEU 82 1HD1 LEU 82 24.151 2.067 1.660
665 2HD1 LEU 82 2HD1 LEU 82 24.126 2.036 -0.104
666 3HD1 LEU 82 3HD1 LEU 82 25.438 1.249 0.773
667 1HD2 LEU 82 1HD2 LEU 82 23.585 -0.046 -1.310
668 2HD2 LEU 82 2HD2 LEU 82 23.247 -1.530 -0.417
669 3HD2 LEU 82 3HD2 LEU 82 24.893 -0.898 -0.486
670 H GLY 83 H GLY 83 25.486 -2.894 2.526
671 1HA GLY 83 2HA GLY 83 25.686 -3.324 5.245
672 2HA GLY 83 1HA GLY 83 24.911 -4.765 4.600
673 H GLY 84 H GLY 84 26.211 -6.358 4.005
674 1HA GLY 84 2HA GLY 84 29.038 -5.686 3.485
675 2HA GLY 84 1HA GLY 84 28.469 -7.221 4.118
676 H GLU 85 H GLU 85 27.294 -8.630 2.688
677 HA GLU 85 HA GLU 85 28.470 -8.597 0.050
678 1HB GLU 85 2HB GLU 85 26.820 -10.640 1.540
679 2HB GLU 85 1HB GLU 85 27.444 -10.877 -0.082
680 1HG GLU 85 2HG GLU 85 29.106 -10.380 2.371
681 2HG GLU 85 1HG GLU 85 28.848 -11.944 1.600
682 H THR 86 H THR 86 25.724 -10.367 -0.256
683 HA THR 86 HA THR 86 24.595 -8.629 -2.174
684 HB THR 86 HB THR 86 24.381 -11.123 -2.218
685 HG1 THR 86 HG1 THR 86 23.002 -10.146 -3.589
686 1HG2 THR 86 1HG2 THR 86 23.829 -11.492 0.143
687 2HG2 THR 86 2HG2 THR 86 22.597 -12.181 -0.914
688 3HG2 THR 86 3HG2 THR 86 22.293 -10.655 -0.082
689 H HIS 87 H HIS 87 22.344 -7.797 -2.117
690 HA HIS 87 HA HIS 87 21.716 -6.802 0.583
691 1HB HIS 87 2HB HIS 87 21.594 -5.199 -1.980
692 2HB HIS 87 1HB HIS 87 21.177 -4.619 -0.372
693 HD1 HIS 87 HD1 HIS 87 23.732 -4.206 -2.665
694 HD2 HIS 87 HD2 HIS 87 23.717 -5.201 1.376
695 HE1 HIS 87 HE1 HIS 87 26.019 -3.598 -1.804
696 HE2 HIS 87 HE2 HIS 87 25.998 -4.224 0.632
697 H GLU 88 H GLU 88 19.484 -5.864 0.713
698 HA GLU 88 HA GLU 88 17.641 -7.434 -0.955
699 1HB GLU 88 2HB GLU 88 17.562 -6.964 2.017
700 2HB GLU 88 1HB GLU 88 16.146 -7.456 1.104
701 1HG GLU 88 2HG GLU 88 18.718 -8.999 1.332
702 2HG GLU 88 1HG GLU 88 17.218 -9.344 2.190
703 H HIS 89 H HIS 89 16.074 -6.343 -1.875
704 HA HIS 89 HA HIS 89 15.888 -3.487 -1.542
705 1HB HIS 89 2HB HIS 89 14.079 -5.387 -3.072
706 2HB HIS 89 1HB HIS 89 14.131 -3.637 -3.248
707 HD1 HIS 89 HD1 HIS 89 16.099 -2.639 -4.611
708 HD2 HIS 89 HD2 HIS 89 16.121 -6.790 -4.368
709 HE1 HIS 89 HE1 HIS 89 17.768 -3.410 -6.326
710 HE2 HIS 89 HE2 HIS 89 17.875 -5.912 -6.055
711 H TYR 90 H TYR 90 14.541 -2.447 -0.080
712 HA TYR 90 HA TYR 90 12.627 -4.190 1.312
713 1HB TYR 90 2HB TYR 90 13.288 -3.380 3.441
714 2HB TYR 90 1HB TYR 90 14.755 -3.842 2.593
715 HD1 TYR 90 HD1 TYR 90 12.903 -1.116 4.127
716 HD2 TYR 90 HD2 TYR 90 16.290 -2.085 1.741
717 HE1 TYR 90 HE1 TYR 90 13.872 1.090 4.614
718 HE2 TYR 90 HE2 TYR 90 17.265 0.122 2.218
719 HH TYR 90 HH TYR 90 16.806 2.210 3.023
720 H GLY 91 H GLY 91 10.915 -3.260 2.358
721 1HA GLY 91 2HA GLY 91 10.437 -0.392 2.067
722 2HA GLY 91 1HA GLY 91 9.236 -1.503 1.403
723 H ILE 92 H ILE 92 8.128 -0.027 3.256
724 HA ILE 92 HA ILE 92 8.429 -1.452 5.807
725 HB ILE 92 HB ILE 92 6.956 1.143 5.327
726 1HG1 ILE 92 2HG1 ILE 92 9.752 0.700 6.404
727 2HG1 ILE 92 1HG1 ILE 92 9.372 1.327 4.805
728 1HG2 ILE 92 1HG2 ILE 92 6.226 -0.059 7.313
729 2HG2 ILE 92 2HG2 ILE 92 7.146 1.377 7.774
730 3HG2 ILE 92 3HG2 ILE 92 7.898 -0.218 7.854
731 1HD1 ILE 92 1HD1 ILE 92 8.324 3.277 5.814
732 2HD1 ILE 92 2HD1 ILE 92 10.001 3.100 6.328
733 3HD1 ILE 92 3HD1 ILE 92 8.691 2.646 7.419
734 HA PRO 93 HA PRO 93 4.631 -3.508 4.714
735 1HB PRO 93 2HB PRO 93 4.496 -5.129 6.863
736 2HB PRO 93 1HB PRO 93 5.648 -5.386 5.547
737 1HG PRO 93 2HG PRO 93 6.082 -4.184 8.242
738 2HG PRO 93 1HG PRO 93 7.132 -5.269 7.315
739 1HD PRO 93 2HD PRO 93 7.476 -2.544 7.482
740 2HD PRO 93 1HD PRO 93 8.072 -3.548 6.148
741 H HIS 94 H HIS 94 2.565 -3.020 5.012
742 HA HIS 94 HA HIS 94 1.655 -2.092 7.638
743 1HB HIS 94 2HB HIS 94 1.042 -0.696 5.020
744 2HB HIS 94 1HB HIS 94 0.295 -0.319 6.567
745 HD1 HIS 94 HD1 HIS 94 3.586 -0.108 4.766
746 HD2 HIS 94 HD2 HIS 94 1.757 1.359 8.195
747 HE1 HIS 94 HE1 HIS 94 5.143 1.646 5.654
748 HE2 HIS 94 HE2 HIS 94 3.941 2.630 7.646
749 H GLY 95 H GLY 95 -0.706 -2.107 7.806
750 1HA GLY 95 2HA GLY 95 -2.397 -3.222 5.849
751 2HA GLY 95 1HA GLY 95 -1.914 -4.474 6.991
752 H PHE 96 H PHE 96 -4.583 -3.620 6.726
753 HA PHE 96 HA PHE 96 -5.048 -2.397 9.335
754 1HB PHE 96 2HB PHE 96 -6.255 -1.313 6.777
755 2HB PHE 96 1HB PHE 96 -6.650 -0.772 8.405
756 HD1 PHE 96 HD1 PHE 96 -4.736 0.178 9.812
757 HD2 PHE 96 HD2 PHE 96 -4.535 -0.299 5.588
758 HE1 PHE 96 HE1 PHE 96 -2.895 1.805 9.721
759 HE2 PHE 96 HE2 PHE 96 -2.700 1.330 5.489
760 HZ PHE 96 HZ PHE 96 -1.872 2.379 7.555
761 H SER 97 H SER 97 -7.284 -2.626 10.048
762 HA SER 97 HA SER 97 -8.331 -5.192 9.241
763 1HB SER 97 2HB SER 97 -9.425 -3.330 11.348
764 2HB SER 97 1HB SER 97 -9.662 -5.073 11.221
765 HG SER 97 HG SER 97 -7.956 -5.237 12.425
766 H SER 98 H SER 98 -9.066 -1.868 8.635
767 HA SER 98 HA SER 98 -11.511 -2.687 7.241
768 1HB SER 98 2HB SER 98 -12.189 -1.727 9.416
769 2HB SER 98 1HB SER 98 -11.327 -0.240 9.016
770 HG SER 98 HG SER 98 -13.768 -1.167 8.133
771 H ARG 99 H ARG 99 -11.664 -1.921 5.245
772 HA ARG 99 HA ARG 99 -9.499 -0.566 4.082
773 1HB ARG 99 2HB ARG 99 -10.764 -0.537 2.032
774 2HB ARG 99 1HB ARG 99 -10.890 -2.099 2.812
775 1HG ARG 99 2HG ARG 99 -13.130 -1.462 3.631
776 2HG ARG 99 1HG ARG 99 -12.986 0.052 2.727
777 1HD ARG 99 2HD ARG 99 -12.578 -1.333 0.674
778 2HD ARG 99 1HD ARG 99 -13.002 -2.753 1.625
779 HE ARG 99 HE ARG 99 -14.965 -0.617 1.569
780 1HH1 ARG 99 1HH1 ARG 99 -13.900 -3.689 0.253
781 2HH1 ARG 99 2HH1 ARG 99 -15.451 -4.050 -0.457
782 1HH2 ARG 99 1HH2 ARG 99 -16.991 -1.094 0.624
783 2HH2 ARG 99 2HH2 ARG 99 -17.190 -2.587 -0.244
784 H ILE 100 H ILE 100 -12.509 0.642 5.375
785 HA ILE 100 HA ILE 100 -12.472 3.194 4.215
786 HB ILE 100 HB ILE 100 -14.400 2.285 5.518
787 1HG1 ILE 100 2HG1 ILE 100 -15.039 4.443 6.525
788 2HG1 ILE 100 1HG1 ILE 100 -13.362 4.972 6.450
789 1HG2 ILE 100 1HG2 ILE 100 -14.408 2.549 7.956
790 2HG2 ILE 100 2HG2 ILE 100 -12.704 3.006 7.900
791 3HG2 ILE 100 3HG2 ILE 100 -13.199 1.381 7.422
792 1HD1 ILE 100 1HD1 ILE 100 -15.099 4.313 4.085
793 2HD1 ILE 100 2HD1 ILE 100 -13.428 4.875 4.025
794 3HD1 ILE 100 3HD1 ILE 100 -14.692 5.930 4.658
795 H ALA 101 H ALA 101 -10.712 1.887 6.954
796 HA ALA 101 HA ALA 101 -9.681 4.410 7.831
797 1HB ALA 101 1HB ALA 101 -8.672 1.606 8.379
798 2HB ALA 101 2HB ALA 101 -9.839 2.494 9.359
799 3HB ALA 101 3HB ALA 101 -8.176 3.067 9.232
800 H LEU 102 H LEU 102 -8.444 1.718 5.876
801 HA LEU 102 HA LEU 102 -5.934 2.744 5.229
802 1HB LEU 102 2HB LEU 102 -6.543 0.496 4.627
803 2HB LEU 102 1HB LEU 102 -7.862 1.064 3.621
804 HG LEU 102 HG LEU 102 -6.204 2.073 2.075
805 1HD1 LEU 102 1HD1 LEU 102 -4.373 2.424 3.610
806 2HD1 LEU 102 2HD1 LEU 102 -3.852 1.399 2.272
807 3HD1 LEU 102 3HD1 LEU 102 -4.201 0.685 3.845
808 1HD2 LEU 102 1HD2 LEU 102 -7.115 -0.117 1.596
809 2HD2 LEU 102 2HD2 LEU 102 -5.889 -0.877 2.611
810 3HD2 LEU 102 3HD2 LEU 102 -5.415 -0.056 1.122
811 H GLU 103 H GLU 103 -9.062 3.229 3.711
812 HA GLU 103 HA GLU 103 -8.466 4.829 1.554
813 1HB GLU 103 2HB GLU 103 -10.704 3.850 2.604
814 2HB GLU 103 1HB GLU 103 -10.827 5.461 3.285
815 1HG GLU 103 2HG GLU 103 -10.446 5.014 0.350
816 2HG GLU 103 1HG GLU 103 -12.037 4.986 1.105
817 H ARG 104 H ARG 104 -9.206 5.851 4.866
818 HA ARG 104 HA ARG 104 -8.732 8.621 4.430
819 1HB ARG 104 2HB ARG 104 -8.884 6.961 6.953
820 2HB ARG 104 1HB ARG 104 -8.768 8.717 6.937
821 1HG ARG 104 2HG ARG 104 -10.865 8.835 5.701
822 2HG ARG 104 1HG ARG 104 -10.983 7.079 5.732
823 1HD ARG 104 2HD ARG 104 -11.372 7.018 8.012
824 2HD ARG 104 1HD ARG 104 -10.669 8.612 8.273
825 HE ARG 104 HE ARG 104 -12.968 8.825 6.651
826 1HH1 ARG 104 1HH1 ARG 104 -12.047 8.077 9.940
827 2HH1 ARG 104 2HH1 ARG 104 -13.448 8.826 10.651
828 1HH2 ARG 104 1HH2 ARG 104 -14.819 9.845 7.585
829 2HH2 ARG 104 2HH2 ARG 104 -15.023 9.838 9.312
830 H TYR 105 H TYR 105 -6.711 5.967 5.608
831 HA TYR 105 HA TYR 105 -4.651 7.621 6.604
832 1HB TYR 105 2HB TYR 105 -4.780 4.706 5.889
833 2HB TYR 105 1HB TYR 105 -3.287 5.456 6.426
834 HD1 TYR 105 HD1 TYR 105 -4.459 7.359 8.463
835 HD2 TYR 105 HD2 TYR 105 -5.204 3.243 7.693
836 HE1 TYR 105 HE1 TYR 105 -5.130 7.044 10.810
837 HE2 TYR 105 HE2 TYR 105 -5.880 2.920 10.031
838 HH TYR 105 HH TYR 105 -6.616 5.404 12.108
839 H LEU 106 H LEU 106 -5.076 5.957 3.481
840 HA LEU 106 HA LEU 106 -2.627 6.628 2.311
841 1HB LEU 106 2HB LEU 106 -5.344 6.537 0.989
842 2HB LEU 106 1HB LEU 106 -3.810 6.524 0.145
843 HG LEU 106 HG LEU 106 -4.784 4.356 2.008
844 1HD1 LEU 106 1HD1 LEU 106 -5.074 3.040 -0.026
845 2HD1 LEU 106 2HD1 LEU 106 -4.594 4.428 -1.003
846 3HD1 LEU 106 3HD1 LEU 106 -6.086 4.486 -0.063
847 1HD2 LEU 106 1HD2 LEU 106 -2.369 4.482 0.204
848 2HD2 LEU 106 2HD2 LEU 106 -2.882 3.085 1.152
849 3HD2 LEU 106 3HD2 LEU 106 -2.347 4.556 1.966
850 H ASN 107 H ASN 107 -5.561 8.443 2.697
851 HA ASN 107 HA ASN 107 -5.023 10.658 1.064
852 1HB ASN 107 2HB ASN 107 -7.211 9.923 2.114
853 2HB ASN 107 1HB ASN 107 -6.628 10.584 3.629
854 1HD2 ASN 107 1HD2 ASN 107 -8.952 11.224 2.077
855 2HD2 ASN 107 2HD2 ASN 107 -8.853 12.913 1.739
856 H GLY 108 H GLY 108 -4.816 10.486 4.625
857 1HA GLY 108 2HA GLY 108 -3.473 13.003 4.783
858 2HA GLY 108 1HA GLY 108 -3.726 11.881 6.107
859 H LEU 109 H LEU 109 -2.356 9.806 4.289
860 HA LEU 109 HA LEU 109 0.279 10.244 5.359
861 1HB LEU 109 2HB LEU 109 -0.705 8.013 5.343
862 2HB LEU 109 1HB LEU 109 -0.825 8.060 3.595
863 HG LEU 109 HG LEU 109 1.648 8.122 3.457
864 1HD1 LEU 109 1HD1 LEU 109 1.505 7.695 6.437
865 2HD1 LEU 109 2HD1 LEU 109 2.100 9.143 5.623
866 3HD1 LEU 109 3HD1 LEU 109 2.964 7.614 5.449
867 1HD2 LEU 109 1HD2 LEU 109 1.986 5.779 4.118
868 2HD2 LEU 109 2HD2 LEU 109 0.467 6.013 3.253
869 3HD2 LEU 109 3HD2 LEU 109 0.464 5.821 5.007
870 H PHE 110 H PHE 110 -1.145 9.988 2.109
871 HA PHE 110 HA PHE 110 1.434 10.544 0.926
872 1HB PHE 110 2HB PHE 110 -1.253 9.867 -0.245
873 2HB PHE 110 1HB PHE 110 0.116 10.339 -1.248
874 HD1 PHE 110 HD1 PHE 110 -1.442 7.668 0.604
875 HD2 PHE 110 HD2 PHE 110 2.203 8.953 -1.181
876 HE1 PHE 110 HE1 PHE 110 -0.611 5.354 0.644
877 HE2 PHE 110 HE2 PHE 110 3.037 6.638 -1.145
878 HZ PHE 110 HZ PHE 110 1.629 4.837 -0.230
879 H GLY 111 H GLY 111 -1.758 12.201 1.103
880 1HA GLY 111 2HA GLY 111 -0.257 14.639 0.456
881 2HA GLY 111 1HA GLY 111 -1.714 14.261 -0.446
882 H ASP 112 H ASP 112 -3.421 15.259 0.209
883 HA ASP 112 HA ASP 112 -4.278 15.649 2.825
884 1HB ASP 112 2HB ASP 112 -2.852 17.948 1.540
885 2HB ASP 112 1HB ASP 112 -4.265 18.212 2.555
Start of MODEL 18
1 1H MET 1 1HT MET 1 -9.695 -6.972 12.870
2 2H MET 1 2HT MET 1 -10.845 -8.216 12.922
3 3H MET 1 3HT MET 1 -11.009 -6.950 11.801
4 HA MET 1 HA MET 1 -8.814 -8.937 11.843
5 1HB MET 1 2HB MET 1 -11.192 -8.631 9.997
6 2HB MET 1 1HB MET 1 -9.824 -9.687 9.678
7 1HG MET 1 2HG MET 1 -11.751 -9.895 11.978
8 2HG MET 1 1HG MET 1 -11.671 -10.952 10.570
9 1HE MET 1 1HE MET 1 -11.679 -12.031 13.568
10 2HE MET 1 2HE MET 1 -10.436 -13.278 13.469
11 3HE MET 1 3HE MET 1 -11.592 -13.077 12.153
12 H TYR 2 H TYR 2 -8.240 -8.841 9.178
13 HA TYR 2 HA TYR 2 -7.429 -6.049 8.788
14 1HB TYR 2 2HB TYR 2 -5.988 -8.617 8.219
15 2HB TYR 2 1HB TYR 2 -5.525 -7.117 7.433
16 HD1 TYR 2 HD1 TYR 2 -5.944 -8.695 10.780
17 HD2 TYR 2 HD2 TYR 2 -4.100 -5.618 8.498
18 HE1 TYR 2 HE1 TYR 2 -4.536 -8.119 12.706
19 HE2 TYR 2 HE2 TYR 2 -2.686 -5.028 10.420
20 HH TYR 2 HH TYR 2 -2.664 -5.250 12.835
21 H LEU 3 H LEU 3 -6.603 -5.933 6.327
22 HA LEU 3 HA LEU 3 -8.930 -6.676 4.714
23 1HB LEU 3 2HB LEU 3 -6.742 -4.656 4.210
24 2HB LEU 3 1HB LEU 3 -8.055 -5.001 3.102
25 HG LEU 3 HG LEU 3 -8.342 -3.819 5.866
26 1HD1 LEU 3 1HD1 LEU 3 -7.370 -2.277 4.246
27 2HD1 LEU 3 2HD1 LEU 3 -9.010 -1.798 4.682
28 3HD1 LEU 3 3HD1 LEU 3 -8.706 -2.591 3.137
29 1HD2 LEU 3 1HD2 LEU 3 -10.693 -3.510 5.253
30 2HD2 LEU 3 2HD2 LEU 3 -10.251 -5.218 5.301
31 3HD2 LEU 3 3HD2 LEU 3 -10.418 -4.391 3.751
32 H ARG 4 H ARG 4 -8.600 -7.522 2.587
33 HA ARG 4 HA ARG 4 -6.393 -9.389 2.489
34 1HB ARG 4 2HB ARG 4 -8.663 -8.953 0.528
35 2HB ARG 4 1HB ARG 4 -7.546 -10.312 0.529
36 1HG ARG 4 2HG ARG 4 -8.395 -11.011 2.713
37 2HG ARG 4 1HG ARG 4 -9.527 -9.656 2.700
38 1HD ARG 4 2HD ARG 4 -10.708 -11.615 2.004
39 2HD ARG 4 1HD ARG 4 -10.496 -10.577 0.595
40 HE ARG 4 HE ARG 4 -8.952 -13.036 1.146
41 1HH1 ARG 4 1HH1 ARG 4 -10.235 -10.648 -1.068
42 2HH1 ARG 4 2HH1 ARG 4 -9.661 -11.460 -2.485
43 1HH2 ARG 4 1HH2 ARG 4 -8.233 -14.141 -0.728
44 2HH2 ARG 4 2HH2 ARG 4 -8.586 -13.479 -2.298
45 HA PRO 5 HA PRO 5 -3.570 -7.305 -0.149
46 1HB PRO 5 2HB PRO 5 -3.355 -9.050 -2.317
47 2HB PRO 5 1HB PRO 5 -2.421 -9.154 -0.820
48 1HG PRO 5 2HG PRO 5 -4.892 -10.627 -1.625
49 2HG PRO 5 1HG PRO 5 -3.477 -11.209 -0.727
50 1HD PRO 5 2HD PRO 5 -5.757 -10.648 0.534
51 2HD PRO 5 1HD PRO 5 -4.190 -10.236 1.266
52 H ASP 6 H ASP 6 -6.041 -8.860 -2.216
53 HA ASP 6 HA ASP 6 -5.996 -6.894 -4.217
54 1HB ASP 6 2HB ASP 6 -8.351 -7.792 -4.754
55 2HB ASP 6 1HB ASP 6 -6.984 -8.887 -4.897
56 H GLU 7 H GLU 7 -8.056 -7.204 -1.350
57 HA GLU 7 HA GLU 7 -9.766 -5.077 -1.713
58 1HB GLU 7 2HB GLU 7 -8.488 -6.154 0.790
59 2HB GLU 7 1HB GLU 7 -9.682 -4.864 0.832
60 1HG GLU 7 2HG GLU 7 -10.144 -7.587 -0.359
61 2HG GLU 7 1HG GLU 7 -10.622 -7.102 1.269
62 H VAL 8 H VAL 8 -6.474 -4.996 -0.403
63 HA VAL 8 HA VAL 8 -6.368 -2.261 0.199
64 HB VAL 8 HB VAL 8 -4.121 -4.079 -0.700
65 1HG1 VAL 8 1HG1 VAL 8 -4.013 -1.414 0.709
66 2HG1 VAL 8 2HG1 VAL 8 -3.485 -1.747 -0.939
67 3HG1 VAL 8 3HG1 VAL 8 -2.636 -2.475 0.422
68 1HG2 VAL 8 1HG2 VAL 8 -5.252 -4.907 1.285
69 2HG2 VAL 8 2HG2 VAL 8 -5.082 -3.332 2.058
70 3HG2 VAL 8 3HG2 VAL 8 -3.649 -4.297 1.699
71 H ALA 9 H ALA 9 -5.485 -4.009 -2.758
72 HA ALA 9 HA ALA 9 -4.634 -1.802 -4.263
73 1HB ALA 9 1HB ALA 9 -5.894 -4.360 -5.242
74 2HB ALA 9 2HB ALA 9 -4.181 -4.115 -4.900
75 3HB ALA 9 3HB ALA 9 -4.953 -3.228 -6.214
76 H ARG 10 H ARG 10 -7.844 -3.208 -3.808
77 HA ARG 10 HA ARG 10 -9.217 -1.743 -5.767
78 1HB ARG 10 2HB ARG 10 -10.302 -2.698 -3.107
79 2HB ARG 10 1HB ARG 10 -11.250 -2.279 -4.528
80 1HG ARG 10 2HG ARG 10 -10.325 -4.138 -5.750
81 2HG ARG 10 1HG ARG 10 -9.246 -4.521 -4.409
82 1HD ARG 10 2HD ARG 10 -10.920 -6.020 -4.009
83 2HD ARG 10 1HD ARG 10 -11.508 -4.653 -3.067
84 HE ARG 10 HE ARG 10 -12.637 -4.295 -5.522
85 1HH1 ARG 10 1HH1 ARG 10 -12.679 -6.791 -3.063
86 2HH1 ARG 10 2HH1 ARG 10 -14.143 -7.528 -3.656
87 1HH2 ARG 10 1HH2 ARG 10 -14.574 -5.224 -6.280
88 2HH2 ARG 10 2HH2 ARG 10 -15.227 -6.634 -5.496
89 H VAL 11 H VAL 11 -8.380 -0.924 -2.435
90 HA VAL 11 HA VAL 11 -9.850 1.529 -2.423
91 HB VAL 11 HB VAL 11 -7.610 0.589 -0.625
92 1HG1 VAL 11 1HG1 VAL 11 -7.751 3.039 -0.635
93 2HG1 VAL 11 2HG1 VAL 11 -8.297 2.368 0.902
94 3HG1 VAL 11 3HG1 VAL 11 -9.474 2.939 -0.280
95 1HG2 VAL 11 1HG2 VAL 11 -9.434 0.185 0.969
96 2HG2 VAL 11 2HG2 VAL 11 -9.615 -0.776 -0.498
97 3HG2 VAL 11 3HG2 VAL 11 -10.601 0.667 -0.263
98 H LEU 12 H LEU 12 -6.530 0.617 -3.197
99 HA LEU 12 HA LEU 12 -5.495 3.190 -3.624
100 1HB LEU 12 2HB LEU 12 -4.889 0.604 -5.069
101 2HB LEU 12 1HB LEU 12 -3.945 2.073 -5.228
102 HG LEU 12 HG LEU 12 -4.315 0.548 -2.646
103 1HD1 LEU 12 1HD1 LEU 12 -3.020 -0.751 -4.227
104 2HD1 LEU 12 2HD1 LEU 12 -1.969 -0.105 -2.965
105 3HD1 LEU 12 3HD1 LEU 12 -1.992 0.642 -4.564
106 1HD2 LEU 12 1HD2 LEU 12 -3.917 2.959 -2.379
107 2HD2 LEU 12 2HD2 LEU 12 -2.457 2.815 -3.355
108 3HD2 LEU 12 3HD2 LEU 12 -2.562 1.990 -1.800
109 H GLU 13 H GLU 13 -7.243 0.990 -5.779
110 HA GLU 13 HA GLU 13 -7.334 2.639 -8.029
111 1HB GLU 13 2HB GLU 13 -9.335 0.582 -7.092
112 2HB GLU 13 1HB GLU 13 -9.236 1.247 -8.714
113 1HG GLU 13 2HG GLU 13 -6.887 0.365 -8.820
114 2HG GLU 13 1HG GLU 13 -7.229 -0.488 -7.316
115 H LYS 14 H LYS 14 -9.374 2.539 -5.149
116 HA LYS 14 HA LYS 14 -11.356 4.348 -5.949
117 1HB LYS 14 2HB LYS 14 -10.152 3.718 -3.269
118 2HB LYS 14 1HB LYS 14 -11.351 4.984 -3.434
119 1HG LYS 14 2HG LYS 14 -12.865 3.248 -4.467
120 2HG LYS 14 1HG LYS 14 -11.678 2.047 -3.949
121 1HD LYS 14 2HD LYS 14 -13.459 2.254 -2.292
122 2HD LYS 14 1HD LYS 14 -11.924 2.819 -1.629
123 1HE LYS 14 2HE LYS 14 -12.603 5.146 -2.159
124 2HE LYS 14 1HE LYS 14 -14.165 4.535 -2.694
125 1HZ LYS 14 1HZ LYS 14 -14.649 3.788 -0.487
126 2HZ LYS 14 2HZ LYS 14 -14.148 5.407 -0.393
127 3HZ LYS 14 3HZ LYS 14 -13.089 4.166 0.042
128 H ALA 15 H ALA 15 -8.097 4.878 -4.741
129 HA ALA 15 HA ALA 15 -8.382 7.740 -4.635
130 1HB ALA 15 1HB ALA 15 -6.875 6.524 -3.118
131 2HB ALA 15 2HB ALA 15 -6.035 7.764 -4.047
132 3HB ALA 15 3HB ALA 15 -5.879 6.067 -4.500
133 H GLY 16 H GLY 16 -8.064 5.574 -7.126
134 1HA GLY 16 2HA GLY 16 -8.103 6.257 -9.389
135 2HA GLY 16 1HA GLY 16 -7.259 7.731 -8.936
136 H PHE 17 H PHE 17 -5.924 4.969 -7.517
137 HA PHE 17 HA PHE 17 -3.521 5.310 -9.070
138 1HB PHE 17 2HB PHE 17 -4.268 3.660 -6.681
139 2HB PHE 17 1HB PHE 17 -2.765 3.375 -7.540
140 HD1 PHE 17 HD1 PHE 17 -4.677 6.204 -6.027
141 HD2 PHE 17 HD2 PHE 17 -0.880 4.449 -6.815
142 HE1 PHE 17 HE1 PHE 17 -3.586 7.977 -4.713
143 HE2 PHE 17 HE2 PHE 17 0.217 6.221 -5.506
144 HZ PHE 17 HZ PHE 17 -1.137 7.989 -4.453
145 H THR 18 H THR 18 -2.307 3.519 -9.917
146 HA THR 18 HA THR 18 -3.917 1.329 -10.985
147 HB THR 18 HB THR 18 -2.159 2.810 -12.904
148 HG1 THR 18 HG1 THR 18 -4.378 3.866 -11.686
149 1HG2 THR 18 1HG2 THR 18 -3.209 0.683 -13.531
150 2HG2 THR 18 2HG2 THR 18 -3.824 2.020 -14.503
151 3HG2 THR 18 3HG2 THR 18 -4.793 1.374 -13.177
152 H VAL 19 H VAL 19 -2.424 -0.299 -12.112
153 HA VAL 19 HA VAL 19 -0.103 -0.650 -10.415
154 HB VAL 19 HB VAL 19 -1.728 -2.519 -11.032
155 1HG1 VAL 19 1HG1 VAL 19 -0.150 -2.500 -13.596
156 2HG1 VAL 19 2HG1 VAL 19 -1.850 -2.056 -13.432
157 3HG1 VAL 19 3HG1 VAL 19 -1.334 -3.713 -13.107
158 1HG2 VAL 19 1HG2 VAL 19 0.028 -4.221 -11.101
159 2HG2 VAL 19 2HG2 VAL 19 0.399 -2.952 -9.932
160 3HG2 VAL 19 3HG2 VAL 19 1.215 -2.976 -11.496
161 H ASP 20 H ASP 20 2.023 -0.952 -11.163
162 HA ASP 20 HA ASP 20 2.549 0.015 -13.901
163 1HB ASP 20 2HB ASP 20 3.300 1.632 -12.190
164 2HB ASP 20 1HB ASP 20 4.288 0.377 -11.446
165 H VAL 21 H VAL 21 4.063 -1.809 -11.249
166 HA VAL 21 HA VAL 21 5.130 -3.639 -13.282
167 HB VAL 21 HB VAL 21 6.962 -2.510 -12.199
168 1HG1 VAL 21 1HG1 VAL 21 5.861 -1.789 -10.152
169 2HG1 VAL 21 2HG1 VAL 21 7.370 -2.627 -9.791
170 3HG1 VAL 21 3HG1 VAL 21 5.827 -3.453 -9.567
171 1HG2 VAL 21 1HG2 VAL 21 6.684 -5.317 -11.137
172 2HG2 VAL 21 2HG2 VAL 21 8.193 -4.412 -11.267
173 3HG2 VAL 21 3HG2 VAL 21 7.300 -4.856 -12.723
174 H VAL 22 H VAL 22 3.884 -5.356 -13.371
175 HA VAL 22 HA VAL 22 2.666 -6.368 -10.920
176 HB VAL 22 HB VAL 22 1.079 -6.124 -12.681
177 1HG1 VAL 22 1HG1 VAL 22 2.914 -7.787 -14.402
178 2HG1 VAL 22 2HG1 VAL 22 2.556 -6.069 -14.597
179 3HG1 VAL 22 3HG1 VAL 22 1.287 -7.270 -14.849
180 1HG2 VAL 22 1HG2 VAL 22 0.786 -8.106 -11.314
181 2HG2 VAL 22 2HG2 VAL 22 1.816 -9.034 -12.405
182 3HG2 VAL 22 3HG2 VAL 22 0.261 -8.421 -12.969
183 H THR 23 H THR 23 3.818 -7.758 -9.815
184 HA THR 23 HA THR 23 5.249 -9.864 -11.293
185 HB THR 23 HB THR 23 6.803 -10.082 -9.444
186 HG1 THR 23 HG1 THR 23 5.187 -8.067 -8.238
187 1HG2 THR 23 1HG2 THR 23 7.379 -8.447 -11.161
188 2HG2 THR 23 2HG2 THR 23 7.957 -7.914 -9.582
189 3HG2 THR 23 3HG2 THR 23 6.504 -7.195 -10.280
190 H ASN 24 H ASN 24 5.322 -11.961 -10.114
191 HA ASN 24 HA ASN 24 2.655 -12.688 -9.467
192 1HB ASN 24 2HB ASN 24 5.200 -14.299 -9.201
193 2HB ASN 24 1HB ASN 24 3.564 -14.949 -9.144
194 1HD2 ASN 24 1HD2 ASN 24 2.340 -15.023 -11.049
195 2HD2 ASN 24 2HD2 ASN 24 3.085 -14.898 -12.606
196 H LYS 25 H LYS 25 5.091 -11.382 -7.578
197 HA LYS 25 HA LYS 25 4.101 -12.643 -5.121
198 1HB LYS 25 2HB LYS 25 6.558 -10.939 -5.549
199 2HB LYS 25 1HB LYS 25 6.105 -11.732 -4.048
200 1HG LYS 25 2HG LYS 25 6.372 -13.909 -5.104
201 2HG LYS 25 1HG LYS 25 6.813 -13.122 -6.623
202 1HD LYS 25 2HD LYS 25 8.698 -12.020 -5.418
203 2HD LYS 25 1HD LYS 25 8.304 -13.003 -4.008
204 1HE LYS 25 2HE LYS 25 8.731 -15.029 -5.264
205 2HE LYS 25 1HE LYS 25 9.033 -14.085 -6.722
206 1HZ LYS 25 1HZ LYS 25 10.645 -14.044 -4.231
207 2HZ LYS 25 2HZ LYS 25 10.904 -13.023 -5.561
208 3HZ LYS 25 3HZ LYS 25 11.110 -14.698 -5.726
209 H THR 26 H THR 26 3.984 -9.681 -6.893
210 HA THR 26 HA THR 26 2.434 -8.360 -4.916
211 HB THR 26 HB THR 26 4.457 -8.075 -3.690
212 HG1 THR 26 HG1 THR 26 3.120 -6.164 -3.940
213 1HG2 THR 26 1HG2 THR 26 5.670 -7.103 -6.270
214 2HG2 THR 26 2HG2 THR 26 6.106 -8.547 -5.355
215 3HG2 THR 26 3HG2 THR 26 6.440 -6.949 -4.692
216 H TYR 27 H TYR 27 1.584 -6.401 -5.580
217 HA TYR 27 HA TYR 27 1.942 -5.769 -8.419
218 1HB TYR 27 2HB TYR 27 -0.232 -5.115 -6.432
219 2HB TYR 27 1HB TYR 27 -0.139 -4.348 -8.010
220 HD1 TYR 27 HD1 TYR 27 -0.296 -5.797 -10.066
221 HD2 TYR 27 HD2 TYR 27 -1.217 -7.236 -6.170
222 HE1 TYR 27 HE1 TYR 27 -1.578 -7.643 -11.056
223 HE2 TYR 27 HE2 TYR 27 -2.501 -9.088 -7.151
224 HH TYR 27 HH TYR 27 -2.298 -9.925 -10.424
225 H GLY 28 H GLY 28 3.513 -4.282 -8.718
226 1HA GLY 28 2HA GLY 28 4.020 -2.165 -6.838
227 2HA GLY 28 1HA GLY 28 4.721 -2.325 -8.445
228 H TYR 29 H TYR 29 2.572 -0.628 -6.551
229 HA TYR 29 HA TYR 29 0.813 0.130 -8.771
230 1HB TYR 29 2HB TYR 29 0.519 -0.228 -5.904
231 2HB TYR 29 1HB TYR 29 -0.105 1.326 -6.429
232 HD1 TYR 29 HD1 TYR 29 -2.216 1.462 -7.476
233 HD2 TYR 29 HD2 TYR 29 -0.324 -2.323 -7.062
234 HE1 TYR 29 HE1 TYR 29 -4.278 0.357 -8.239
235 HE2 TYR 29 HE2 TYR 29 -2.376 -3.440 -7.824
236 HH TYR 29 HH TYR 29 -4.907 -1.832 -9.329
237 H ARG 30 H ARG 30 0.368 2.349 -9.205
238 HA ARG 30 HA ARG 30 2.084 4.369 -8.005
239 1HB ARG 30 2HB ARG 30 3.077 5.075 -10.119
240 2HB ARG 30 1HB ARG 30 3.499 3.398 -9.792
241 1HG ARG 30 2HG ARG 30 1.995 2.592 -11.412
242 2HG ARG 30 1HG ARG 30 1.180 4.148 -11.543
243 1HD ARG 30 2HD ARG 30 3.067 5.129 -12.639
244 2HD ARG 30 1HD ARG 30 4.059 3.705 -12.316
245 HE ARG 30 HE ARG 30 2.827 2.510 -13.950
246 1HH1 ARG 30 1HH1 ARG 30 2.121 5.932 -13.866
247 2HH1 ARG 30 2HH1 ARG 30 1.242 5.919 -15.364
248 1HH2 ARG 30 1HH2 ARG 30 1.717 2.483 -15.941
249 2HH2 ARG 30 2HH2 ARG 30 1.039 3.964 -16.562
250 H ARG 31 H ARG 31 1.538 6.529 -8.679
251 HA ARG 31 HA ARG 31 -0.435 6.850 -10.773
252 1HB ARG 31 2HB ARG 31 -1.764 6.758 -8.619
253 2HB ARG 31 1HB ARG 31 -0.919 8.222 -8.123
254 1HG ARG 31 2HG ARG 31 -1.801 9.398 -10.077
255 2HG ARG 31 1HG ARG 31 -2.651 7.932 -10.570
256 1HD ARG 31 2HD ARG 31 -4.215 9.361 -9.475
257 2HD ARG 31 1HD ARG 31 -3.878 8.001 -8.407
258 HE ARG 31 HE ARG 31 -2.249 9.637 -7.310
259 1HH1 ARG 31 1HH1 ARG 31 -5.188 10.649 -8.915
260 2HH1 ARG 31 2HH1 ARG 31 -5.456 12.002 -7.848
261 1HH2 ARG 31 1HH2 ARG 31 -2.591 11.445 -5.920
262 2HH2 ARG 31 2HH2 ARG 31 -3.977 12.454 -6.171
263 H GLY 32 H GLY 32 1.721 7.454 -11.578
264 1HA GLY 32 2HA GLY 32 2.752 9.365 -12.506
265 2HA GLY 32 1HA GLY 32 2.177 10.308 -11.139
266 H GLU 33 H GLU 33 3.748 10.965 -9.863
267 HA GLU 33 HA GLU 33 6.339 9.662 -10.029
268 1HB GLU 33 2HB GLU 33 5.394 12.294 -8.928
269 2HB GLU 33 1HB GLU 33 7.008 11.692 -8.587
270 1HG GLU 33 2HG GLU 33 7.025 13.253 -10.446
271 2HG GLU 33 1HG GLU 33 7.514 11.644 -10.966
272 H ASN 34 H ASN 34 3.891 8.733 -8.350
273 HA ASN 34 HA ASN 34 5.493 8.215 -5.948
274 1HB ASN 34 2HB ASN 34 3.313 8.092 -4.665
275 2HB ASN 34 1HB ASN 34 3.819 9.698 -5.168
276 1HD2 ASN 34 1HD2 ASN 34 1.821 10.586 -5.114
277 2HD2 ASN 34 2HD2 ASN 34 0.569 10.186 -6.238
278 H TYR 35 H TYR 35 5.339 6.163 -5.039
279 HA TYR 35 HA TYR 35 3.953 4.130 -6.633
280 1HB TYR 35 2HB TYR 35 6.876 3.984 -5.863
281 2HB TYR 35 1HB TYR 35 5.965 2.730 -6.691
282 HD1 TYR 35 HD1 TYR 35 7.693 5.919 -7.030
283 HD2 TYR 35 HD2 TYR 35 5.352 3.000 -9.054
284 HE1 TYR 35 HE1 TYR 35 8.376 6.879 -9.187
285 HE2 TYR 35 HE2 TYR 35 6.026 3.953 -11.219
286 HH TYR 35 HH TYR 35 6.839 6.130 -12.107
287 H VAL 36 H VAL 36 3.272 2.385 -5.503
288 HA VAL 36 HA VAL 36 4.388 1.875 -2.844
289 HB VAL 36 HB VAL 36 2.151 1.242 -1.967
290 1HG1 VAL 36 1HG1 VAL 36 2.422 4.114 -2.827
291 2HG1 VAL 36 2HG1 VAL 36 3.084 3.387 -1.363
292 3HG1 VAL 36 3HG1 VAL 36 1.337 3.526 -1.568
293 1HG2 VAL 36 1HG2 VAL 36 0.129 1.999 -3.074
294 2HG2 VAL 36 2HG2 VAL 36 1.022 0.891 -4.116
295 3HG2 VAL 36 3HG2 VAL 36 1.079 2.628 -4.420
296 H TYR 37 H TYR 37 3.645 -0.425 -2.119
297 HA TYR 37 HA TYR 37 3.501 -2.148 -4.508
298 1HB TYR 37 2HB TYR 37 5.289 -2.588 -2.105
299 2HB TYR 37 1HB TYR 37 5.112 -3.689 -3.466
300 HD1 TYR 37 HD1 TYR 37 6.740 -0.713 -2.213
301 HD2 TYR 37 HD2 TYR 37 5.940 -2.981 -5.726
302 HE1 TYR 37 HE1 TYR 37 8.566 0.452 -3.375
303 HE2 TYR 37 HE2 TYR 37 7.765 -1.822 -6.895
304 HH TYR 37 HH TYR 37 8.991 0.350 -6.711
305 H VAL 38 H VAL 38 1.764 -3.395 -4.411
306 HA VAL 38 HA VAL 38 0.520 -3.990 -1.837
307 HB VAL 38 HB VAL 38 -0.393 -4.769 -4.614
308 1HG1 VAL 38 1HG1 VAL 38 -2.579 -5.100 -3.525
309 2HG1 VAL 38 2HG1 VAL 38 -1.823 -4.785 -1.962
310 3HG1 VAL 38 3HG1 VAL 38 -1.338 -6.193 -2.908
311 1HG2 VAL 38 1HG2 VAL 38 -1.217 -2.435 -2.896
312 2HG2 VAL 38 2HG2 VAL 38 -1.994 -2.916 -4.405
313 3HG2 VAL 38 3HG2 VAL 38 -0.320 -2.356 -4.415
314 H ASN 39 H ASN 39 1.373 -5.659 -0.763
315 HA ASN 39 HA ASN 39 2.943 -7.658 -2.050
316 1HB ASN 39 2HB ASN 39 2.934 -6.703 0.438
317 2HB ASN 39 1HB ASN 39 1.898 -8.102 0.701
318 1HD2 ASN 39 1HD2 ASN 39 2.772 -10.188 0.375
319 2HD2 ASN 39 2HD2 ASN 39 4.480 -10.456 0.365
320 H ARG 40 H ARG 40 2.002 -9.104 -3.337
321 HA ARG 40 HA ARG 40 -0.721 -9.919 -2.987
322 1HB ARG 40 2HB ARG 40 0.121 -9.665 -5.222
323 2HB ARG 40 1HB ARG 40 1.442 -10.778 -4.911
324 1HG ARG 40 2HG ARG 40 -0.047 -12.642 -4.845
325 2HG ARG 40 1HG ARG 40 -1.458 -11.581 -4.888
326 1HD ARG 40 2HD ARG 40 -1.033 -10.939 -7.118
327 2HD ARG 40 1HD ARG 40 0.597 -11.613 -7.082
328 HE ARG 40 HE ARG 40 -0.409 -13.828 -7.059
329 1HH1 ARG 40 1HH1 ARG 40 -2.503 -11.172 -7.986
330 2HH1 ARG 40 2HH1 ARG 40 -3.607 -12.181 -8.870
331 1HH2 ARG 40 1HH2 ARG 40 -1.837 -15.145 -8.220
332 2HH2 ARG 40 2HH2 ARG 40 -3.221 -14.453 -9.013
333 H GLU 41 H GLU 41 2.381 -11.147 -2.059
334 HA GLU 41 HA GLU 41 1.547 -13.821 -1.505
335 1HB GLU 41 2HB GLU 41 3.842 -12.271 -0.300
336 2HB GLU 41 1HB GLU 41 3.620 -14.010 -0.229
337 1HG GLU 41 2HG GLU 41 3.826 -14.093 -2.691
338 2HG GLU 41 1HG GLU 41 4.171 -12.361 -2.682
339 H ALA 42 H ALA 42 0.639 -10.960 -0.090
340 HA ALA 42 HA ALA 42 0.778 -11.788 2.670
341 1HB ALA 42 1HB ALA 42 0.992 -9.426 2.101
342 2HB ALA 42 2HB ALA 42 -0.399 -9.703 3.148
343 3HB ALA 42 3HB ALA 42 -0.635 -9.435 1.422
344 H ARG 43 H ARG 43 -0.391 -13.695 2.742
345 HA ARG 43 HA ARG 43 -3.202 -13.639 1.982
346 1HB ARG 43 2HB ARG 43 -1.710 -15.894 3.324
347 2HB ARG 43 1HB ARG 43 -3.207 -15.992 2.406
348 1HG ARG 43 2HG ARG 43 -1.874 -15.230 0.398
349 2HG ARG 43 1HG ARG 43 -0.428 -15.502 1.369
350 1HD ARG 43 2HD ARG 43 -0.717 -17.479 0.142
351 2HD ARG 43 1HD ARG 43 -1.326 -17.852 1.754
352 HE ARG 43 HE ARG 43 -3.403 -16.930 0.027
353 1HH1 ARG 43 1HH1 ARG 43 -1.491 -19.740 0.881
354 2HH1 ARG 43 2HH1 ARG 43 -2.653 -20.873 0.260
355 1HH2 ARG 43 1HH2 ARG 43 -4.925 -18.415 -0.785
356 2HH2 ARG 43 2HH2 ARG 43 -4.625 -20.119 -0.656
357 H MET 44 H MET 44 -1.316 -12.824 4.573
358 HA MET 44 HA MET 44 -3.289 -13.504 6.609
359 1HB MET 44 2HB MET 44 -0.605 -12.139 6.919
360 2HB MET 44 1HB MET 44 -1.622 -12.741 8.219
361 1HG MET 44 2HG MET 44 0.083 -14.331 7.950
362 2HG MET 44 1HG MET 44 -1.346 -15.038 7.206
363 1HE MET 44 1HE MET 44 1.577 -16.181 6.691
364 2HE MET 44 2HE MET 44 1.512 -16.450 4.949
365 3HE MET 44 3HE MET 44 0.115 -16.836 5.953
366 H GLY 45 H GLY 45 -2.386 -10.922 4.580
367 1HA GLY 45 2HA GLY 45 -3.586 -8.962 4.237
368 2HA GLY 45 1HA GLY 45 -4.484 -9.287 5.709
369 H ARG 46 H ARG 46 -2.091 -9.559 7.352
370 HA ARG 46 HA ARG 46 -1.927 -6.869 8.170
371 1HB ARG 46 2HB ARG 46 -1.759 -8.659 9.778
372 2HB ARG 46 1HB ARG 46 -0.318 -9.287 8.995
373 1HG ARG 46 2HG ARG 46 0.956 -7.376 9.668
374 2HG ARG 46 1HG ARG 46 -0.487 -6.577 10.288
375 1HD ARG 46 2HD ARG 46 -0.688 -8.123 12.072
376 2HD ARG 46 1HD ARG 46 0.490 -9.218 11.346
377 HE ARG 46 HE ARG 46 2.224 -7.770 12.002
378 1HH1 ARG 46 1HH1 ARG 46 -0.919 -6.694 13.123
379 2HH1 ARG 46 2HH1 ARG 46 -0.262 -5.593 14.294
380 1HH2 ARG 46 1HH2 ARG 46 3.087 -6.292 13.511
381 2HH2 ARG 46 2HH2 ARG 46 2.013 -5.339 14.493
382 H THR 47 H THR 47 0.017 -8.683 5.946
383 HA THR 47 HA THR 47 2.058 -6.559 5.988
384 HB THR 47 HB THR 47 3.483 -8.257 4.755
385 HG1 THR 47 HG1 THR 47 2.757 -10.283 4.546
386 1HG2 THR 47 1HG2 THR 47 2.566 -9.003 7.533
387 2HG2 THR 47 2HG2 THR 47 3.781 -7.787 7.144
388 3HG2 THR 47 3HG2 THR 47 4.085 -9.486 6.779
389 H ALA 48 H ALA 48 -0.500 -6.369 4.595
390 HA ALA 48 HA ALA 48 -0.135 -7.116 1.858
391 1HB ALA 48 1HB ALA 48 -2.296 -6.087 1.480
392 2HB ALA 48 2HB ALA 48 -2.250 -5.364 3.087
393 3HB ALA 48 3HB ALA 48 -2.336 -7.116 2.910
394 H LEU 49 H LEU 49 -0.202 -3.941 3.517
395 HA LEU 49 HA LEU 49 0.354 -2.684 0.935
396 1HB LEU 49 2HB LEU 49 -1.480 -1.794 2.299
397 2HB LEU 49 1HB LEU 49 -0.346 -1.438 3.589
398 HG LEU 49 HG LEU 49 0.827 0.146 2.061
399 1HD1 LEU 49 1HD1 LEU 49 -1.531 -0.336 0.251
400 2HD1 LEU 49 2HD1 LEU 49 0.124 -0.861 -0.058
401 3HD1 LEU 49 3HD1 LEU 49 -0.255 0.859 0.018
402 1HD2 LEU 49 1HD2 LEU 49 -2.105 0.683 2.505
403 2HD2 LEU 49 2HD2 LEU 49 -0.867 1.899 2.187
404 3HD2 LEU 49 3HD2 LEU 49 -0.809 0.950 3.672
405 H ILE 50 H ILE 50 2.441 -2.599 0.416
406 HA ILE 50 HA ILE 50 4.375 -1.831 2.489
407 HB ILE 50 HB ILE 50 5.058 -2.639 -0.332
408 1HG1 ILE 50 2HG1 ILE 50 3.782 -4.490 0.655
409 2HG1 ILE 50 1HG1 ILE 50 5.481 -4.918 0.488
410 1HG2 ILE 50 1HG2 ILE 50 7.227 -3.219 0.727
411 2HG2 ILE 50 2HG2 ILE 50 6.612 -2.567 2.250
412 3HG2 ILE 50 3HG2 ILE 50 6.811 -1.509 0.853
413 1HD1 ILE 50 1HD1 ILE 50 4.627 -5.719 2.587
414 2HD1 ILE 50 2HD1 ILE 50 4.077 -4.101 3.017
415 3HD1 ILE 50 3HD1 ILE 50 5.803 -4.438 2.879
416 H ILE 51 H ILE 51 5.248 0.160 2.495
417 HA ILE 51 HA ILE 51 4.759 1.886 0.147
418 HB ILE 51 HB ILE 51 4.627 3.809 1.561
419 1HG1 ILE 51 2HG1 ILE 51 5.121 2.007 3.938
420 2HG1 ILE 51 1HG1 ILE 51 6.352 3.028 3.207
421 1HG2 ILE 51 1HG2 ILE 51 2.654 3.299 2.937
422 2HG2 ILE 51 2HG2 ILE 51 2.971 1.576 2.736
423 3HG2 ILE 51 3HG2 ILE 51 2.556 2.565 1.336
424 1HD1 ILE 51 1HD1 ILE 51 5.074 5.011 3.775
425 2HD1 ILE 51 2HD1 ILE 51 5.389 4.035 5.212
426 3HD1 ILE 51 3HD1 ILE 51 3.795 4.006 4.458
427 H HIS 52 H HIS 52 6.364 3.655 -0.060
428 HA HIS 52 HA HIS 52 9.030 2.678 -0.054
429 1HB HIS 52 2HB HIS 52 8.203 4.281 -1.738
430 2HB HIS 52 1HB HIS 52 7.951 5.486 -0.483
431 HD1 HIS 52 HD1 HIS 52 10.230 6.311 0.741
432 HD2 HIS 52 HD2 HIS 52 10.673 4.360 -2.901
433 HE1 HIS 52 HE1 HIS 52 12.556 6.848 -0.025
434 HE2 HIS 52 HE2 HIS 52 12.662 5.941 -2.383
435 HA PRO 53 HA PRO 53 10.561 3.976 4.015
436 1HB PRO 53 2HB PRO 53 12.920 4.799 2.391
437 2HB PRO 53 1HB PRO 53 12.854 3.821 3.862
438 1HG PRO 53 2HG PRO 53 13.262 2.678 1.493
439 2HG PRO 53 1HG PRO 53 12.244 1.900 2.719
440 1HD PRO 53 2HD PRO 53 11.454 3.343 0.233
441 2HD PRO 53 1HD PRO 53 10.702 1.936 1.010
442 H ARG 54 H ARG 54 12.299 6.095 4.446
443 HA ARG 54 HA ARG 54 12.304 8.344 4.797
444 1HB ARG 54 2HB ARG 54 12.423 8.787 2.464
445 2HB ARG 54 1HB ARG 54 10.732 8.366 2.227
446 1HG ARG 54 2HG ARG 54 10.171 10.343 3.709
447 2HG ARG 54 1HG ARG 54 11.862 10.817 3.542
448 1HD ARG 54 2HD ARG 54 11.593 10.862 1.107
449 2HD ARG 54 1HD ARG 54 9.904 10.412 1.288
450 HE ARG 54 HE ARG 54 10.264 12.712 2.796
451 1HH1 ARG 54 1HH1 ARG 54 10.622 11.767 -0.559
452 2HH1 ARG 54 2HH1 ARG 54 10.176 13.327 -1.192
453 1HH2 ARG 54 1HH2 ARG 54 9.674 14.776 1.966
454 2HH2 ARG 54 2HH2 ARG 54 9.649 15.044 0.250
455 H LEU 55 H LEU 55 9.134 7.194 3.747
456 HA LEU 55 HA LEU 55 7.670 9.039 5.373
457 1HB LEU 55 2HB LEU 55 6.917 6.669 3.686
458 2HB LEU 55 1HB LEU 55 5.734 7.533 4.650
459 HG LEU 55 HG LEU 55 7.416 8.770 2.472
460 1HD1 LEU 55 1HD1 LEU 55 5.778 7.185 1.582
461 2HD1 LEU 55 2HD1 LEU 55 5.337 8.848 1.195
462 3HD1 LEU 55 3HD1 LEU 55 4.499 7.991 2.489
463 1HD2 LEU 55 1HD2 LEU 55 5.232 9.809 4.260
464 2HD2 LEU 55 2HD2 LEU 55 5.750 10.627 2.780
465 3HD2 LEU 55 3HD2 LEU 55 6.890 10.400 4.108
466 H LYS 56 H LYS 56 9.508 6.773 6.511
467 HA LYS 56 HA LYS 56 7.883 4.979 7.923
468 1HB LYS 56 2HB LYS 56 10.437 4.937 7.595
469 2HB LYS 56 1HB LYS 56 10.505 6.024 8.978
470 1HG LYS 56 2HG LYS 56 9.377 4.358 10.355
471 2HG LYS 56 1HG LYS 56 9.288 3.268 8.969
472 1HD LYS 56 2HD LYS 56 11.820 3.446 8.862
473 2HD LYS 56 1HD LYS 56 11.729 4.207 10.452
474 1HE LYS 56 2HE LYS 56 10.532 2.214 11.295
475 2HE LYS 56 1HE LYS 56 10.739 1.455 9.716
476 1HZ LYS 56 1HZ LYS 56 12.502 0.611 10.903
477 2HZ LYS 56 2HZ LYS 56 12.754 2.043 11.773
478 3HZ LYS 56 3HZ LYS 56 13.234 1.951 10.152
479 H ASP 57 H ASP 57 9.251 8.102 8.850
480 HA ASP 57 HA ASP 57 8.120 8.177 11.439
481 1HB ASP 57 2HB ASP 57 10.023 9.565 10.898
482 2HB ASP 57 1HB ASP 57 9.115 10.388 9.633
483 H ARG 58 H ARG 58 7.106 9.565 8.348
484 HA ARG 58 HA ARG 58 4.839 10.933 9.270
485 1HB ARG 58 2HB ARG 58 5.798 11.383 7.089
486 2HB ARG 58 1HB ARG 58 5.457 9.742 6.560
487 1HG ARG 58 2HG ARG 58 3.859 11.267 5.602
488 2HG ARG 58 1HG ARG 58 3.050 10.198 6.749
489 1HD ARG 58 2HD ARG 58 3.248 11.992 8.459
490 2HD ARG 58 1HD ARG 58 3.895 13.055 7.210
491 HE ARG 58 HE ARG 58 1.647 12.471 6.054
492 1HH1 ARG 58 1HH1 ARG 58 2.172 12.943 9.473
493 2HH1 ARG 58 2HH1 ARG 58 0.558 13.505 9.784
494 1HH2 ARG 58 1HH2 ARG 58 -0.476 13.210 6.432
495 2HH2 ARG 58 2HH2 ARG 58 -0.958 13.672 8.043
496 H SER 59 H SER 59 5.144 7.711 7.822
497 HA SER 59 HA SER 59 2.431 7.051 7.862
498 1HB SER 59 2HB SER 59 3.750 5.751 6.458
499 2HB SER 59 1HB SER 59 4.977 5.474 7.687
500 HG SER 59 HG SER 59 2.360 4.504 8.073
501 H SER 60 H SER 60 4.979 6.372 10.257
502 HA SER 60 HA SER 60 3.452 4.731 11.934
503 1HB SER 60 2HB SER 60 5.757 6.549 12.670
504 2HB SER 60 1HB SER 60 5.153 5.212 13.646
505 HG SER 60 HG SER 60 6.679 5.186 11.315
506 H SER 61 H SER 61 3.463 8.169 11.546
507 HA SER 61 HA SER 61 2.339 8.783 14.110
508 1HB SER 61 2HB SER 61 3.739 10.356 12.693
509 2HB SER 61 1HB SER 61 2.331 10.545 11.650
510 HG SER 61 HG SER 61 2.346 11.050 14.444
511 H LEU 62 H LEU 62 1.078 7.463 11.287
512 HA LEU 62 HA LEU 62 -1.626 8.451 11.892
513 1HB LEU 62 2HB LEU 62 -0.566 7.150 9.381
514 2HB LEU 62 1HB LEU 62 -2.220 7.671 9.628
515 HG LEU 62 HG LEU 62 0.176 9.507 9.596
516 1HD1 LEU 62 1HD1 LEU 62 -0.286 8.525 7.398
517 2HD1 LEU 62 2HD1 LEU 62 -0.654 10.248 7.435
518 3HD1 LEU 62 3HD1 LEU 62 -1.960 9.065 7.513
519 1HD2 LEU 62 1HD2 LEU 62 -1.631 10.337 11.000
520 2HD2 LEU 62 2HD2 LEU 62 -2.784 10.076 9.691
521 3HD2 LEU 62 3HD2 LEU 62 -1.514 11.288 9.517
522 H ALA 63 H ALA 63 0.193 5.515 11.084
523 HA ALA 63 HA ALA 63 -1.703 3.954 12.661
524 1HB ALA 63 1HB ALA 63 -1.966 2.270 10.905
525 2HB ALA 63 2HB ALA 63 -1.020 3.270 9.801
526 3HB ALA 63 3HB ALA 63 -2.583 3.838 10.385
527 H ASP 64 H ASP 64 -0.872 1.552 12.655
528 HA ASP 64 HA ASP 64 1.968 1.736 13.335
529 1HB ASP 64 2HB ASP 64 1.601 -0.294 14.676
530 2HB ASP 64 1HB ASP 64 0.488 0.986 15.141
531 HA PRO 65 HA PRO 65 2.952 -0.856 9.876
532 1HB PRO 65 2HB PRO 65 5.510 -1.410 10.492
533 2HB PRO 65 1HB PRO 65 5.007 0.201 9.971
534 1HG PRO 65 2HG PRO 65 5.567 -0.811 12.725
535 2HG PRO 65 1HG PRO 65 5.987 0.750 12.000
536 1HD PRO 65 2HD PRO 65 3.844 0.348 13.676
537 2HD PRO 65 1HD PRO 65 3.941 1.654 12.477
538 H ALA 66 H ALA 66 3.169 -3.034 9.370
539 HA ALA 66 HA ALA 66 2.270 -4.922 11.261
540 1HB ALA 66 1HB ALA 66 2.680 -6.582 9.540
541 2HB ALA 66 2HB ALA 66 3.671 -5.435 8.640
542 3HB ALA 66 3HB ALA 66 1.942 -5.144 8.833
543 H SER 67 H SER 67 5.435 -4.068 10.082
544 HA SER 67 HA SER 67 6.661 -5.526 12.267
545 1HB SER 67 2HB SER 67 6.851 -7.004 10.351
546 2HB SER 67 1HB SER 67 7.555 -5.700 9.401
547 HG SER 67 HG SER 67 8.658 -6.896 11.736
548 H ASP 68 H ASP 68 8.548 -4.333 9.875
549 HA ASP 68 HA ASP 68 8.705 -1.597 10.779
550 1HB ASP 68 2HB ASP 68 10.264 -3.030 12.270
551 2HB ASP 68 1HB ASP 68 11.250 -3.215 10.828
552 H ILE 69 H ILE 69 10.720 -3.953 9.092
553 HA ILE 69 HA ILE 69 10.221 -2.617 6.551
554 HB ILE 69 HB ILE 69 12.760 -2.872 6.065
555 1HG1 ILE 69 2HG1 ILE 69 12.823 -2.569 9.058
556 2HG1 ILE 69 1HG1 ILE 69 13.154 -4.082 8.245
557 1HG2 ILE 69 1HG2 ILE 69 13.190 -0.602 6.855
558 2HG2 ILE 69 2HG2 ILE 69 11.767 -0.691 7.895
559 3HG2 ILE 69 3HG2 ILE 69 11.582 -0.737 6.143
560 1HD1 ILE 69 1HD1 ILE 69 14.738 -1.530 7.992
561 2HD1 ILE 69 2HD1 ILE 69 15.067 -3.024 7.115
562 3HD1 ILE 69 3HD1 ILE 69 15.216 -2.982 8.872
563 H LYS 70 H LYS 70 10.227 -3.972 4.881
564 HA LYS 70 HA LYS 70 10.769 -6.822 5.404
565 1HB LYS 70 2HB LYS 70 8.399 -6.295 4.892
566 2HB LYS 70 1HB LYS 70 8.900 -5.585 3.365
567 1HG LYS 70 2HG LYS 70 9.761 -7.784 2.652
568 2HG LYS 70 1HG LYS 70 9.178 -8.481 4.162
569 1HD LYS 70 2HD LYS 70 6.883 -7.717 3.541
570 2HD LYS 70 1HD LYS 70 7.524 -7.222 1.975
571 1HE LYS 70 2HE LYS 70 7.575 -10.024 3.097
572 2HE LYS 70 1HE LYS 70 6.455 -9.426 1.877
573 1HZ LYS 70 1HZ LYS 70 8.309 -10.680 0.920
574 2HZ LYS 70 2HZ LYS 70 9.404 -9.554 1.547
575 3HZ LYS 70 3HZ LYS 70 8.284 -9.081 0.368
576 H THR 71 H THR 71 12.385 -7.726 4.286
577 HA THR 71 HA THR 71 13.921 -6.095 2.522
578 HB THR 71 HB THR 71 15.321 -8.212 2.326
579 HG1 THR 71 HG1 THR 71 14.827 -9.679 4.160
580 1HG2 THR 71 1HG2 THR 71 16.211 -7.888 4.614
581 2HG2 THR 71 2HG2 THR 71 14.767 -6.953 5.013
582 3HG2 THR 71 3HG2 THR 71 15.887 -6.363 3.789
583 H CYS 72 H CYS 72 13.504 -5.784 0.530
584 HA CYS 72 HA CYS 72 11.383 -7.241 -0.755
585 1HB CYS 72 2HB CYS 72 12.953 -5.005 -1.981
586 2HB CYS 72 1HB CYS 72 11.270 -5.438 -2.235
587 HG CYS 72 HG CYS 72 11.510 -4.764 0.913
588 H ASP 73 H ASP 73 11.514 -8.644 -2.392
589 HA ASP 73 HA ASP 73 14.128 -9.152 -3.614
590 1HB ASP 73 2HB ASP 73 13.257 -11.222 -4.360
591 2HB ASP 73 1HB ASP 73 12.599 -11.019 -2.738
592 H HIS 74 H HIS 74 11.062 -7.698 -4.245
593 HA HIS 74 HA HIS 74 11.820 -7.294 -7.064
594 1HB HIS 74 2HB HIS 74 9.126 -7.866 -5.871
595 2HB HIS 74 1HB HIS 74 9.271 -7.043 -7.419
596 HD1 HIS 74 HD1 HIS 74 8.024 -9.927 -6.910
597 HD2 HIS 74 HD2 HIS 74 11.797 -9.102 -8.444
598 HE1 HIS 74 HE1 HIS 74 8.654 -11.941 -8.273
599 HE2 HIS 74 HE2 HIS 74 10.904 -11.390 -9.264
600 H TYR 75 H TYR 75 10.628 -5.818 -4.142
601 HA TYR 75 HA TYR 75 9.738 -3.451 -5.518
602 1HB TYR 75 2HB TYR 75 9.942 -3.076 -2.651
603 2HB TYR 75 1HB TYR 75 8.531 -2.985 -3.693
604 HD1 TYR 75 HD1 TYR 75 8.401 -5.852 -4.604
605 HD2 TYR 75 HD2 TYR 75 9.136 -4.163 -0.779
606 HE1 TYR 75 HE1 TYR 75 7.556 -7.881 -3.552
607 HE2 TYR 75 HE2 TYR 75 8.299 -6.202 0.288
608 HH TYR 75 HH TYR 75 6.555 -8.134 -0.542
609 H GLN 76 H GLN 76 11.508 -2.474 -6.440
610 HA GLN 76 HA GLN 76 14.031 -2.383 -5.227
611 1HB GLN 76 2HB GLN 76 14.609 -0.802 -7.031
612 2HB GLN 76 1HB GLN 76 13.852 -2.273 -7.609
613 1HG GLN 76 2HG GLN 76 11.752 -1.108 -7.915
614 2HG GLN 76 1HG GLN 76 12.448 0.367 -7.247
615 1HE2 GLN 76 1HE2 GLN 76 12.057 1.555 -9.083
616 2HE2 GLN 76 2HE2 GLN 76 12.936 1.322 -10.557
617 H ASN 77 H ASN 77 11.449 0.048 -5.399
618 HA ASN 77 HA ASN 77 11.224 2.121 -4.521
619 1HB ASN 77 2HB ASN 77 13.024 0.900 -2.428
620 2HB ASN 77 1HB ASN 77 12.418 2.547 -2.292
621 1HD2 ASN 77 1HD2 ASN 77 11.590 -0.833 -2.224
622 2HD2 ASN 77 2HD2 ASN 77 10.011 -0.627 -1.554
623 H PHE 78 H PHE 78 14.467 2.017 -3.248
624 HA PHE 78 HA PHE 78 15.893 2.828 -5.492
625 1HB PHE 78 2HB PHE 78 14.555 5.024 -4.126
626 2HB PHE 78 1HB PHE 78 16.301 5.231 -4.155
627 HD1 PHE 78 HD1 PHE 78 17.282 4.466 -6.616
628 HD2 PHE 78 HD2 PHE 78 13.459 6.139 -5.788
629 HE1 PHE 78 HE1 PHE 78 17.153 5.301 -8.927
630 HE2 PHE 78 HE2 PHE 78 13.319 6.975 -8.098
631 HZ PHE 78 HZ PHE 78 15.167 6.556 -9.672
632 HA PRO 79 HA PRO 79 18.546 3.822 -1.363
633 1HB PRO 79 2HB PRO 79 17.217 2.299 0.655
634 2HB PRO 79 1HB PRO 79 17.488 4.040 0.612
635 1HG PRO 79 2HG PRO 79 15.087 2.488 -0.170
636 2HG PRO 79 1HG PRO 79 15.212 4.147 0.433
637 1HD PRO 79 2HD PRO 79 14.650 3.633 -2.120
638 2HD PRO 79 1HD PRO 79 15.694 4.998 -1.667
639 H LEU 80 H LEU 80 16.801 0.786 -0.823
640 HA LEU 80 HA LEU 80 17.438 -1.391 -0.756
641 1HB LEU 80 2HB LEU 80 18.393 -0.827 -3.068
642 2HB LEU 80 1HB LEU 80 19.946 -0.669 -2.270
643 HG LEU 80 HG LEU 80 18.321 -3.214 -2.224
644 1HD1 LEU 80 1HD1 LEU 80 19.918 -4.021 -3.920
645 2HD1 LEU 80 2HD1 LEU 80 20.566 -2.387 -4.057
646 3HD1 LEU 80 3HD1 LEU 80 18.895 -2.714 -4.517
647 1HD2 LEU 80 1HD2 LEU 80 21.217 -2.649 -1.618
648 2HD2 LEU 80 2HD2 LEU 80 20.441 -4.232 -1.594
649 3HD2 LEU 80 3HD2 LEU 80 19.963 -2.996 -0.429
650 H TYR 81 H TYR 81 18.216 -2.456 0.935
651 HA TYR 81 HA TYR 81 19.968 -1.107 2.766
652 1HB TYR 81 2HB TYR 81 17.962 -2.788 3.207
653 2HB TYR 81 1HB TYR 81 19.235 -3.993 3.075
654 HD1 TYR 81 HD1 TYR 81 17.601 -1.660 5.208
655 HD2 TYR 81 HD2 TYR 81 21.271 -3.732 4.630
656 HE1 TYR 81 HE1 TYR 81 18.183 -1.274 7.565
657 HE2 TYR 81 HE2 TYR 81 21.862 -3.353 6.986
658 HH TYR 81 HH TYR 81 21.251 -1.625 8.774
659 H LEU 82 H LEU 82 22.017 -0.949 2.005
660 HA LEU 82 HA LEU 82 23.266 -3.005 0.473
661 1HB LEU 82 2HB LEU 82 24.401 -0.541 1.791
662 2HB LEU 82 1HB LEU 82 25.310 -1.597 0.729
663 HG LEU 82 HG LEU 82 22.904 0.062 -0.035
664 1HD1 LEU 82 1HD1 LEU 82 24.948 1.360 0.269
665 2HD1 LEU 82 2HD1 LEU 82 24.515 1.260 -1.440
666 3HD1 LEU 82 3HD1 LEU 82 25.817 0.256 -0.800
667 1HD2 LEU 82 1HD2 LEU 82 22.931 -2.070 -1.231
668 2HD2 LEU 82 2HD2 LEU 82 24.603 -1.780 -1.714
669 3HD2 LEU 82 3HD2 LEU 82 23.317 -0.728 -2.309
670 H GLY 83 H GLY 83 22.908 -2.466 3.822
671 1HA GLY 83 2HA GLY 83 25.258 -3.796 4.733
672 2HA GLY 83 1HA GLY 83 23.803 -3.505 5.674
673 H GLY 84 H GLY 84 25.242 -5.619 3.262
674 1HA GLY 84 2HA GLY 84 24.489 -8.021 4.433
675 2HA GLY 84 1HA GLY 84 23.214 -7.598 3.296
676 H GLU 85 H GLU 85 24.648 -9.881 2.903
677 HA GLU 85 HA GLU 85 26.993 -9.641 1.392
678 1HB GLU 85 2HB GLU 85 24.966 -11.857 1.116
679 2HB GLU 85 1HB GLU 85 26.694 -11.942 0.849
680 1HG GLU 85 2HG GLU 85 26.530 -12.965 2.879
681 2HG GLU 85 1HG GLU 85 26.823 -11.301 3.381
682 H THR 86 H THR 86 23.801 -10.615 0.138
683 HA THR 86 HA THR 86 24.588 -9.850 -2.542
684 HB THR 86 HB THR 86 22.163 -10.662 -3.004
685 HG1 THR 86 HG1 THR 86 21.113 -11.046 -1.195
686 1HG2 THR 86 1HG2 THR 86 22.889 -13.007 -2.960
687 2HG2 THR 86 2HG2 THR 86 24.245 -12.566 -1.923
688 3HG2 THR 86 3HG2 THR 86 24.164 -11.954 -3.574
689 H HIS 87 H HIS 87 23.113 -8.406 0.094
690 HA HIS 87 HA HIS 87 22.044 -6.459 0.486
691 1HB HIS 87 2HB HIS 87 22.178 -5.627 -2.404
692 2HB HIS 87 1HB HIS 87 22.180 -4.633 -0.961
693 HD1 HIS 87 HD1 HIS 87 24.534 -5.106 0.569
694 HD2 HIS 87 HD2 HIS 87 24.600 -5.711 -3.538
695 HE1 HIS 87 HE1 HIS 87 26.947 -4.955 -0.092
696 HE2 HIS 87 HE2 HIS 87 26.926 -5.088 -2.606
697 H GLU 88 H GLU 88 19.946 -5.598 0.393
698 HA GLU 88 HA GLU 88 18.077 -6.605 -1.555
699 1HB GLU 88 2HB GLU 88 16.598 -7.532 0.337
700 2HB GLU 88 1HB GLU 88 17.919 -8.525 -0.256
701 1HG GLU 88 2HG GLU 88 19.206 -7.335 1.725
702 2HG GLU 88 1HG GLU 88 17.567 -7.188 2.357
703 H HIS 89 H HIS 89 16.136 -5.512 -1.557
704 HA HIS 89 HA HIS 89 16.415 -2.825 -0.596
705 1HB HIS 89 2HB HIS 89 13.984 -4.044 -1.924
706 2HB HIS 89 1HB HIS 89 14.418 -2.342 -1.849
707 HD1 HIS 89 HD1 HIS 89 15.877 -1.441 -3.710
708 HD2 HIS 89 HD2 HIS 89 15.602 -5.590 -3.735
709 HE1 HIS 89 HE1 HIS 89 16.981 -2.184 -5.846
710 HE2 HIS 89 HE2 HIS 89 16.670 -4.687 -5.915
711 H TYR 90 H TYR 90 14.431 -1.797 0.569
712 HA TYR 90 HA TYR 90 13.068 -3.733 2.243
713 1HB TYR 90 2HB TYR 90 13.613 -2.572 4.331
714 2HB TYR 90 1HB TYR 90 15.046 -3.225 3.556
715 HD1 TYR 90 HD1 TYR 90 16.579 -1.630 2.310
716 HD2 TYR 90 HD2 TYR 90 13.449 -0.295 4.865
717 HE1 TYR 90 HE1 TYR 90 17.669 0.566 2.490
718 HE2 TYR 90 HE2 TYR 90 14.527 1.900 5.048
719 HH TYR 90 HH TYR 90 17.263 2.792 3.072
720 H GLY 91 H GLY 91 11.080 -3.215 2.717
721 1HA GLY 91 2HA GLY 91 10.184 -0.435 2.308
722 2HA GLY 91 1HA GLY 91 9.306 -1.774 1.577
723 H ILE 92 H ILE 92 8.010 -0.055 3.328
724 HA ILE 92 HA ILE 92 8.113 -1.379 5.940
725 HB ILE 92 HB ILE 92 6.593 1.136 5.254
726 1HG1 ILE 92 2HG1 ILE 92 9.398 0.875 6.364
727 2HG1 ILE 92 1HG1 ILE 92 9.015 1.350 4.715
728 1HG2 ILE 92 1HG2 ILE 92 5.929 0.026 7.330
729 2HG2 ILE 92 2HG2 ILE 92 6.760 1.544 7.668
730 3HG2 ILE 92 3HG2 ILE 92 7.610 0.013 7.867
731 1HD1 ILE 92 1HD1 ILE 92 8.250 2.851 7.202
732 2HD1 ILE 92 2HD1 ILE 92 7.889 3.338 5.546
733 3HD1 ILE 92 3HD1 ILE 92 9.563 3.263 6.100
734 HA PRO 93 HA PRO 93 4.360 -3.505 4.730
735 1HB PRO 93 2HB PRO 93 4.274 -5.181 6.841
736 2HB PRO 93 1HB PRO 93 5.403 -5.402 5.501
737 1HG PRO 93 2HG PRO 93 5.883 -4.272 8.220
738 2HG PRO 93 1HG PRO 93 6.928 -5.309 7.234
739 1HD PRO 93 2HD PRO 93 7.220 -2.579 7.490
740 2HD PRO 93 1HD PRO 93 7.831 -3.535 6.126
741 H HIS 94 H HIS 94 2.233 -3.251 5.189
742 HA HIS 94 HA HIS 94 1.429 -2.179 7.797
743 1HB HIS 94 2HB HIS 94 0.714 -0.906 5.146
744 2HB HIS 94 1HB HIS 94 -0.013 -0.483 6.689
745 HD1 HIS 94 HD1 HIS 94 3.234 -0.266 4.812
746 HD2 HIS 94 HD2 HIS 94 1.444 1.271 8.233
747 HE1 HIS 94 HE1 HIS 94 4.771 1.542 5.619
748 HE2 HIS 94 HE2 HIS 94 3.540 2.622 7.547
749 H GLY 95 H GLY 95 -0.987 -2.039 7.926
750 1HA GLY 95 2HA GLY 95 -2.679 -3.475 6.185
751 2HA GLY 95 1HA GLY 95 -2.192 -4.507 7.530
752 H PHE 96 H PHE 96 -4.863 -3.733 7.161
753 HA PHE 96 HA PHE 96 -5.271 -1.886 9.392
754 1HB PHE 96 2HB PHE 96 -6.551 -1.574 6.660
755 2HB PHE 96 1HB PHE 96 -6.964 -0.624 8.087
756 HD1 PHE 96 HD1 PHE 96 -5.337 0.938 9.052
757 HD2 PHE 96 HD2 PHE 96 -4.585 -1.115 5.402
758 HE1 PHE 96 HE1 PHE 96 -3.515 2.508 8.545
759 HE2 PHE 96 HE2 PHE 96 -2.765 0.455 4.889
760 HZ PHE 96 HZ PHE 96 -2.227 2.265 6.462
761 H SER 97 H SER 97 -8.197 -1.944 8.213
762 HA SER 97 HA SER 97 -8.987 -4.605 9.012
763 1HB SER 97 2HB SER 97 -10.492 -3.569 10.834
764 2HB SER 97 1HB SER 97 -8.773 -3.726 11.201
765 HG SER 97 HG SER 97 -8.607 -1.632 11.296
766 H SER 98 H SER 98 -9.887 -1.295 8.175
767 HA SER 98 HA SER 98 -12.156 -2.370 6.657
768 1HB SER 98 2HB SER 98 -13.409 -0.290 7.249
769 2HB SER 98 1HB SER 98 -13.070 -1.323 8.638
770 HG SER 98 HG SER 98 -11.937 0.226 9.484
771 H ARG 99 H ARG 99 -12.693 -1.269 4.757
772 HA ARG 99 HA ARG 99 -10.587 -0.201 3.246
773 1HB ARG 99 2HB ARG 99 -13.575 -0.013 2.876
774 2HB ARG 99 1HB ARG 99 -12.423 0.587 1.696
775 1HG ARG 99 2HG ARG 99 -11.521 -1.688 1.448
776 2HG ARG 99 1HG ARG 99 -12.741 -2.272 2.587
777 1HD ARG 99 2HD ARG 99 -14.515 -1.563 1.116
778 2HD ARG 99 1HD ARG 99 -13.356 -0.826 0.013
779 HE ARG 99 HE ARG 99 -12.922 -3.643 0.420
780 1HH1 ARG 99 1HH1 ARG 99 -14.668 -1.231 -1.441
781 2HH1 ARG 99 2HH1 ARG 99 -14.962 -2.308 -2.779
782 1HH2 ARG 99 1HH2 ARG 99 -13.287 -5.032 -1.353
783 2HH2 ARG 99 2HH2 ARG 99 -14.190 -4.447 -2.723
784 H ILE 100 H ILE 100 -13.105 1.338 5.152
785 HA ILE 100 HA ILE 100 -12.767 3.964 4.244
786 HB ILE 100 HB ILE 100 -14.499 2.744 5.935
787 1HG1 ILE 100 2HG1 ILE 100 -14.967 4.748 4.628
788 2HG1 ILE 100 1HG1 ILE 100 -15.512 4.951 6.287
789 1HG2 ILE 100 1HG2 ILE 100 -13.013 2.744 7.835
790 2HG2 ILE 100 2HG2 ILE 100 -14.375 3.828 8.132
791 3HG2 ILE 100 3HG2 ILE 100 -12.801 4.491 7.699
792 1HD1 ILE 100 1HD1 ILE 100 -14.474 6.972 5.411
793 2HD1 ILE 100 2HD1 ILE 100 -12.977 6.084 5.129
794 3HD1 ILE 100 3HD1 ILE 100 -13.567 6.318 6.774
795 H ALA 101 H ALA 101 -11.043 2.160 6.769
796 HA ALA 101 HA ALA 101 -9.642 4.419 7.783
797 1HB ALA 101 1HB ALA 101 -8.171 2.792 8.875
798 2HB ALA 101 2HB ALA 101 -8.910 1.493 7.938
799 3HB ALA 101 3HB ALA 101 -9.871 2.391 9.115
800 H LEU 102 H LEU 102 -8.782 1.863 5.469
801 HA LEU 102 HA LEU 102 -6.187 2.778 4.905
802 1HB LEU 102 2HB LEU 102 -6.927 0.571 4.247
803 2HB LEU 102 1HB LEU 102 -8.142 1.251 3.187
804 HG LEU 102 HG LEU 102 -6.418 2.106 1.697
805 1HD1 LEU 102 1HD1 LEU 102 -4.453 0.849 3.608
806 2HD1 LEU 102 2HD1 LEU 102 -4.691 2.578 3.354
807 3HD1 LEU 102 3HD1 LEU 102 -4.064 1.573 2.048
808 1HD2 LEU 102 1HD2 LEU 102 -5.991 -0.792 2.409
809 2HD2 LEU 102 2HD2 LEU 102 -5.549 -0.025 0.884
810 3HD2 LEU 102 3HD2 LEU 102 -7.247 -0.159 1.345
811 H GLU 103 H GLU 103 -9.313 3.658 3.579
812 HA GLU 103 HA GLU 103 -8.486 5.248 1.434
813 1HB GLU 103 2HB GLU 103 -10.876 4.453 2.418
814 2HB GLU 103 1HB GLU 103 -10.866 6.117 2.976
815 1HG GLU 103 2HG GLU 103 -10.356 5.386 0.114
816 2HG GLU 103 1HG GLU 103 -11.979 5.638 0.751
817 H ARG 104 H ARG 104 -9.474 6.294 4.708
818 HA ARG 104 HA ARG 104 -8.715 8.991 4.336
819 1HB ARG 104 2HB ARG 104 -8.848 7.582 7.002
820 2HB ARG 104 1HB ARG 104 -9.092 9.293 6.676
821 1HG ARG 104 2HG ARG 104 -11.078 8.513 5.242
822 2HG ARG 104 1HG ARG 104 -10.914 6.993 6.117
823 1HD ARG 104 2HD ARG 104 -12.536 8.328 7.252
824 2HD ARG 104 1HD ARG 104 -11.079 8.279 8.244
825 HE ARG 104 HE ARG 104 -10.621 10.529 7.639
826 1HH1 ARG 104 1HH1 ARG 104 -13.706 9.331 6.497
827 2HH1 ARG 104 2HH1 ARG 104 -14.350 10.902 6.144
828 1HH2 ARG 104 1HH2 ARG 104 -11.468 12.622 7.219
829 2HH2 ARG 104 2HH2 ARG 104 -13.081 12.786 6.589
830 H TYR 105 H TYR 105 -7.000 6.169 5.413
831 HA TYR 105 HA TYR 105 -4.773 7.279 6.640
832 1HB TYR 105 2HB TYR 105 -5.290 4.883 6.633
833 2HB TYR 105 1HB TYR 105 -4.941 4.801 4.909
834 HD1 TYR 105 HD1 TYR 105 -3.360 5.680 8.166
835 HD2 TYR 105 HD2 TYR 105 -2.818 4.238 4.205
836 HE1 TYR 105 HE1 TYR 105 -0.999 5.187 8.673
837 HE2 TYR 105 HE2 TYR 105 -0.466 3.736 4.698
838 HH TYR 105 HH TYR 105 1.273 4.499 6.266
839 H LEU 106 H LEU 106 -5.072 6.303 3.211
840 HA LEU 106 HA LEU 106 -2.622 7.337 2.311
841 1HB LEU 106 2HB LEU 106 -5.270 6.881 0.961
842 2HB LEU 106 1HB LEU 106 -3.918 7.578 0.089
843 HG LEU 106 HG LEU 106 -3.911 4.885 1.444
844 1HD1 LEU 106 1HD1 LEU 106 -5.367 4.944 -0.517
845 2HD1 LEU 106 2HD1 LEU 106 -3.914 3.994 -0.828
846 3HD1 LEU 106 3HD1 LEU 106 -4.057 5.628 -1.477
847 1HD2 LEU 106 1HD2 LEU 106 -1.872 6.155 -0.377
848 2HD2 LEU 106 2HD2 LEU 106 -1.760 4.576 0.400
849 3HD2 LEU 106 3HD2 LEU 106 -1.719 6.049 1.375
850 H ASN 107 H ASN 107 -5.825 8.888 2.439
851 HA ASN 107 HA ASN 107 -5.335 11.223 1.101
852 1HB ASN 107 2HB ASN 107 -7.115 10.519 3.392
853 2HB ASN 107 1HB ASN 107 -6.991 12.197 2.892
854 1HD2 ASN 107 1HD2 ASN 107 -8.004 8.999 1.967
855 2HD2 ASN 107 2HD2 ASN 107 -8.971 9.477 0.616
856 H GLY 108 H GLY 108 -4.301 10.408 4.334
857 1HA GLY 108 2HA GLY 108 -3.187 13.102 4.703
858 2HA GLY 108 1HA GLY 108 -3.371 11.891 5.961
859 H LEU 109 H LEU 109 -2.261 9.798 4.161
860 HA LEU 109 HA LEU 109 0.470 10.103 5.027
861 1HB LEU 109 2HB LEU 109 -0.701 7.962 5.216
862 2HB LEU 109 1HB LEU 109 -0.888 7.905 3.472
863 HG LEU 109 HG LEU 109 1.671 7.956 3.367
864 1HD1 LEU 109 1HD1 LEU 109 2.049 8.650 5.666
865 2HD1 LEU 109 2HD1 LEU 109 2.834 7.108 5.320
866 3HD1 LEU 109 3HD1 LEU 109 1.333 7.147 6.247
867 1HD2 LEU 109 1HD2 LEU 109 1.827 5.541 3.687
868 2HD2 LEU 109 2HD2 LEU 109 0.358 5.989 2.821
869 3HD2 LEU 109 3HD2 LEU 109 0.276 5.551 4.528
870 H PHE 110 H PHE 110 -0.873 11.460 2.450
871 HA PHE 110 HA PHE 110 -0.300 11.890 0.259
872 1HB PHE 110 2HB PHE 110 1.725 11.470 -0.599
873 2HB PHE 110 1HB PHE 110 2.129 10.902 1.018
874 HD1 PHE 110 HD1 PHE 110 1.694 10.027 -2.413
875 HD2 PHE 110 HD2 PHE 110 1.901 8.474 1.527
876 HE1 PHE 110 HE1 PHE 110 2.024 7.797 -3.307
877 HE2 PHE 110 HE2 PHE 110 2.229 6.242 0.651
878 HZ PHE 110 HZ PHE 110 2.324 5.858 -1.789
879 H GLY 111 H GLY 111 -2.283 11.362 -0.212
880 1HA GLY 111 2HA GLY 111 -2.460 9.154 -2.058
881 2HA GLY 111 1HA GLY 111 -3.537 9.020 -0.670
882 H ASP 112 H ASP 112 -2.629 12.109 -1.987
883 HA ASP 112 HA ASP 112 -5.173 12.474 -3.269
884 1HB ASP 112 2HB ASP 112 -5.112 13.217 -0.766
885 2HB ASP 112 1HB ASP 112 -3.999 14.462 -1.307
Start of MODEL 19
1 1H MET 1 1HT MET 1 -9.855 -6.406 12.799
2 2H MET 1 2HT MET 1 -8.300 -6.640 13.429
3 3H MET 1 3HT MET 1 -9.540 -7.737 13.801
4 HA MET 1 HA MET 1 -8.004 -8.614 12.136
5 1HB MET 1 2HB MET 1 -10.561 -9.071 12.211
6 2HB MET 1 1HB MET 1 -10.641 -8.019 10.801
7 1HG MET 1 2HG MET 1 -9.168 -9.490 9.581
8 2HG MET 1 1HG MET 1 -8.981 -10.518 10.999
9 1HE MET 1 1HE MET 1 -9.654 -12.709 9.730
10 2HE MET 1 2HE MET 1 -9.738 -11.764 8.243
11 3HE MET 1 3HE MET 1 -11.067 -12.836 8.683
12 H TYR 2 H TYR 2 -7.473 -8.472 9.733
13 HA TYR 2 HA TYR 2 -6.986 -5.639 9.163
14 1HB TYR 2 2HB TYR 2 -5.530 -8.015 8.029
15 2HB TYR 2 1HB TYR 2 -5.048 -6.329 7.926
16 HD1 TYR 2 HD1 TYR 2 -4.217 -5.166 9.973
17 HD2 TYR 2 HD2 TYR 2 -5.011 -9.344 9.919
18 HE1 TYR 2 HE1 TYR 2 -2.861 -5.445 12.007
19 HE2 TYR 2 HE2 TYR 2 -3.665 -9.636 11.951
20 HH TYR 2 HH TYR 2 -2.616 -7.016 13.872
21 H LEU 3 H LEU 3 -6.435 -5.481 6.629
22 HA LEU 3 HA LEU 3 -8.868 -6.300 5.218
23 1HB LEU 3 2HB LEU 3 -6.693 -4.411 4.316
24 2HB LEU 3 1HB LEU 3 -8.244 -4.665 3.544
25 HG LEU 3 HG LEU 3 -7.733 -3.330 6.199
26 1HD1 LEU 3 1HD1 LEU 3 -7.269 -1.934 4.276
27 2HD1 LEU 3 2HD1 LEU 3 -8.751 -1.399 5.063
28 3HD1 LEU 3 3HD1 LEU 3 -8.837 -2.335 3.573
29 1HD2 LEU 3 1HD2 LEU 3 -10.182 -2.965 6.259
30 2HD2 LEU 3 2HD2 LEU 3 -9.741 -4.667 6.408
31 3HD2 LEU 3 3HD2 LEU 3 -10.351 -4.040 4.872
32 H ARG 4 H ARG 4 -8.674 -7.084 3.014
33 HA ARG 4 HA ARG 4 -6.533 -9.036 2.797
34 1HB ARG 4 2HB ARG 4 -8.896 -8.588 0.956
35 2HB ARG 4 1HB ARG 4 -7.864 -10.012 1.023
36 1HG ARG 4 2HG ARG 4 -8.669 -10.512 3.263
37 2HG ARG 4 1HG ARG 4 -9.679 -9.066 3.231
38 1HD ARG 4 2HD ARG 4 -11.102 -10.877 2.714
39 2HD ARG 4 1HD ARG 4 -10.797 -10.042 1.192
40 HE ARG 4 HE ARG 4 -8.905 -12.098 1.479
41 1HH1 ARG 4 1HH1 ARG 4 -12.342 -11.658 0.944
42 2HH1 ARG 4 2HH1 ARG 4 -12.540 -13.182 0.135
43 1HH2 ARG 4 1HH2 ARG 4 -9.176 -14.117 0.397
44 2HH2 ARG 4 2HH2 ARG 4 -10.757 -14.571 -0.174
45 HA PRO 5 HA PRO 5 -3.909 -6.831 0.047
46 1HB PRO 5 2HB PRO 5 -3.461 -8.769 -1.899
47 2HB PRO 5 1HB PRO 5 -2.569 -8.622 -0.383
48 1HG PRO 5 2HG PRO 5 -4.853 -10.419 -1.074
49 2HG PRO 5 1HG PRO 5 -3.413 -10.756 -0.095
50 1HD PRO 5 2HD PRO 5 -5.785 -10.296 1.049
51 2HD PRO 5 1HD PRO 5 -4.285 -9.679 1.774
52 H ASP 6 H ASP 6 -6.279 -8.830 -1.679
53 HA ASP 6 HA ASP 6 -6.415 -7.320 -4.030
54 1HB ASP 6 2HB ASP 6 -7.332 -9.536 -3.986
55 2HB ASP 6 1HB ASP 6 -8.442 -9.114 -2.686
56 H GLU 7 H GLU 7 -8.095 -6.994 -0.962
57 HA GLU 7 HA GLU 7 -10.013 -5.087 -1.791
58 1HB GLU 7 2HB GLU 7 -10.083 -6.484 0.325
59 2HB GLU 7 1HB GLU 7 -8.869 -5.403 0.988
60 1HG GLU 7 2HG GLU 7 -10.331 -3.607 1.083
61 2HG GLU 7 1HG GLU 7 -11.447 -4.331 -0.077
62 H VAL 8 H VAL 8 -6.809 -4.829 -0.329
63 HA VAL 8 HA VAL 8 -6.682 -2.043 -0.067
64 HB VAL 8 HB VAL 8 -4.422 -3.976 -0.639
65 1HG1 VAL 8 1HG1 VAL 8 -2.984 -2.272 0.414
66 2HG1 VAL 8 2HG1 VAL 8 -4.366 -1.176 0.486
67 3HG1 VAL 8 3HG1 VAL 8 -3.731 -1.695 -1.077
68 1HG2 VAL 8 1HG2 VAL 8 -5.515 -2.945 1.976
69 2HG2 VAL 8 2HG2 VAL 8 -4.074 -3.945 1.791
70 3HG2 VAL 8 3HG2 VAL 8 -5.658 -4.592 1.361
71 H ALA 9 H ALA 9 -5.736 -4.160 -2.746
72 HA ALA 9 HA ALA 9 -4.688 -2.199 -4.443
73 1HB ALA 9 1HB ALA 9 -5.005 -3.814 -6.243
74 2HB ALA 9 2HB ALA 9 -6.056 -4.776 -5.203
75 3HB ALA 9 3HB ALA 9 -4.349 -4.590 -4.800
76 H ARG 10 H ARG 10 -8.005 -3.419 -4.112
77 HA ARG 10 HA ARG 10 -9.124 -2.008 -6.261
78 1HB ARG 10 2HB ARG 10 -10.338 -3.806 -5.154
79 2HB ARG 10 1HB ARG 10 -10.419 -2.871 -3.665
80 1HG ARG 10 2HG ARG 10 -11.779 -1.181 -4.825
81 2HG ARG 10 1HG ARG 10 -11.736 -2.172 -6.283
82 1HD ARG 10 2HD ARG 10 -12.781 -3.197 -3.663
83 2HD ARG 10 1HD ARG 10 -13.802 -2.356 -4.826
84 HE ARG 10 HE ARG 10 -12.613 -4.339 -6.287
85 1HH1 ARG 10 1HH1 ARG 10 -14.495 -4.251 -3.335
86 2HH1 ARG 10 2HH1 ARG 10 -15.247 -5.791 -3.608
87 1HH2 ARG 10 1HH2 ARG 10 -13.602 -6.375 -6.648
88 2HH2 ARG 10 2HH2 ARG 10 -14.734 -7.003 -5.480
89 H VAL 11 H VAL 11 -8.649 -1.070 -2.874
90 HA VAL 11 HA VAL 11 -10.034 1.381 -2.995
91 HB VAL 11 HB VAL 11 -7.724 0.581 -1.206
92 1HG1 VAL 11 1HG1 VAL 11 -7.932 3.007 -1.287
93 2HG1 VAL 11 2HG1 VAL 11 -8.479 2.390 0.272
94 3HG1 VAL 11 3HG1 VAL 11 -9.658 2.885 -0.941
95 1HG2 VAL 11 1HG2 VAL 11 -9.461 0.143 0.456
96 2HG2 VAL 11 2HG2 VAL 11 -9.681 -0.857 -0.980
97 3HG2 VAL 11 3HG2 VAL 11 -10.705 0.557 -0.726
98 H LEU 12 H LEU 12 -6.665 0.538 -3.664
99 HA LEU 12 HA LEU 12 -5.678 3.120 -4.125
100 1HB LEU 12 2HB LEU 12 -4.873 0.502 -5.393
101 2HB LEU 12 1HB LEU 12 -3.949 1.990 -5.501
102 HG LEU 12 HG LEU 12 -4.549 0.485 -2.953
103 1HD1 LEU 12 1HD1 LEU 12 -2.966 -0.675 -4.415
104 2HD1 LEU 12 2HD1 LEU 12 -2.184 -0.057 -2.961
105 3HD1 LEU 12 3HD1 LEU 12 -1.982 0.785 -4.497
106 1HD2 LEU 12 1HD2 LEU 12 -2.880 2.942 -3.470
107 2HD2 LEU 12 2HD2 LEU 12 -2.934 2.051 -1.951
108 3HD2 LEU 12 3HD2 LEU 12 -4.381 2.866 -2.545
109 H GLU 13 H GLU 13 -7.084 0.769 -6.407
110 HA GLU 13 HA GLU 13 -6.910 2.349 -8.708
111 1HB GLU 13 2HB GLU 13 -8.977 0.273 -7.978
112 2HB GLU 13 1HB GLU 13 -8.682 0.894 -9.589
113 1HG GLU 13 2HG GLU 13 -6.423 -0.030 -9.539
114 2HG GLU 13 1HG GLU 13 -6.730 -0.668 -7.921
115 H LYS 14 H LYS 14 -9.417 2.064 -6.254
116 HA LYS 14 HA LYS 14 -11.387 3.669 -7.425
117 1HB LYS 14 2HB LYS 14 -11.459 2.163 -5.321
118 2HB LYS 14 1HB LYS 14 -10.882 3.581 -4.466
119 1HG LYS 14 2HG LYS 14 -12.840 4.837 -5.256
120 2HG LYS 14 1HG LYS 14 -13.440 3.373 -6.038
121 1HD LYS 14 2HD LYS 14 -13.452 2.257 -3.823
122 2HD LYS 14 1HD LYS 14 -12.966 3.785 -3.086
123 1HE LYS 14 2HE LYS 14 -15.494 3.310 -4.659
124 2HE LYS 14 1HE LYS 14 -15.378 3.400 -2.903
125 1HZ LYS 14 1HZ LYS 14 -16.119 5.489 -3.733
126 2HZ LYS 14 2HZ LYS 14 -14.840 5.590 -4.840
127 3HZ LYS 14 3HZ LYS 14 -14.534 5.694 -3.173
128 H ALA 15 H ALA 15 -8.759 4.477 -5.211
129 HA ALA 15 HA ALA 15 -9.318 7.214 -4.914
130 1HB ALA 15 1HB ALA 15 -7.055 7.427 -4.078
131 2HB ALA 15 2HB ALA 15 -6.623 5.868 -4.780
132 3HB ALA 15 3HB ALA 15 -7.789 5.948 -3.456
133 H GLY 16 H GLY 16 -7.594 5.461 -7.417
134 1HA GLY 16 2HA GLY 16 -7.759 6.575 -9.639
135 2HA GLY 16 1HA GLY 16 -7.209 8.030 -8.831
136 H PHE 17 H PHE 17 -5.792 4.997 -7.941
137 HA PHE 17 HA PHE 17 -3.217 5.935 -8.857
138 1HB PHE 17 2HB PHE 17 -4.162 3.611 -7.222
139 2HB PHE 17 1HB PHE 17 -2.533 3.632 -7.881
140 HD1 PHE 17 HD1 PHE 17 -4.862 5.686 -5.826
141 HD2 PHE 17 HD2 PHE 17 -0.825 4.642 -6.703
142 HE1 PHE 17 HE1 PHE 17 -4.101 7.039 -3.914
143 HE2 PHE 17 HE2 PHE 17 -0.060 5.996 -4.795
144 HZ PHE 17 HZ PHE 17 -1.696 7.196 -3.400
145 H THR 18 H THR 18 -1.721 4.388 -9.957
146 HA THR 18 HA THR 18 -3.133 2.729 -11.935
147 HB THR 18 HB THR 18 -1.353 3.372 -13.586
148 HG1 THR 18 HG1 THR 18 -0.476 4.810 -11.403
149 1HG2 THR 18 1HG2 THR 18 -2.337 5.564 -14.125
150 2HG2 THR 18 2HG2 THR 18 -3.093 5.606 -12.531
151 3HG2 THR 18 3HG2 THR 18 -3.568 4.374 -13.703
152 H VAL 19 H VAL 19 -1.645 1.077 -12.963
153 HA VAL 19 HA VAL 19 -0.304 -0.278 -10.787
154 HB VAL 19 HB VAL 19 -1.882 -1.490 -12.244
155 1HG1 VAL 19 1HG1 VAL 19 -1.429 -0.383 -14.347
156 2HG1 VAL 19 2HG1 VAL 19 -1.230 -2.128 -14.512
157 3HG1 VAL 19 3HG1 VAL 19 0.187 -1.086 -14.391
158 1HG2 VAL 19 1HG2 VAL 19 -0.187 -2.746 -11.039
159 2HG2 VAL 19 2HG2 VAL 19 0.943 -2.538 -12.377
160 3HG2 VAL 19 3HG2 VAL 19 -0.523 -3.495 -12.599
161 H ASP 20 H ASP 20 1.821 -0.832 -10.670
162 HA ASP 20 HA ASP 20 3.641 0.610 -12.474
163 1HB ASP 20 2HB ASP 20 3.927 1.145 -10.126
164 2HB ASP 20 1HB ASP 20 4.052 -0.559 -9.711
165 H VAL 21 H VAL 21 3.083 -2.575 -11.029
166 HA VAL 21 HA VAL 21 4.283 -3.975 -13.211
167 HB VAL 21 HB VAL 21 6.321 -3.155 -12.026
168 1HG1 VAL 21 1HG1 VAL 21 6.905 -4.134 -9.833
169 2HG1 VAL 21 2HG1 VAL 21 5.274 -4.799 -9.724
170 3HG1 VAL 21 3HG1 VAL 21 5.516 -3.052 -9.759
171 1HG2 VAL 21 1HG2 VAL 21 5.926 -6.142 -11.882
172 2HG2 VAL 21 2HG2 VAL 21 7.480 -5.303 -11.886
173 3HG2 VAL 21 3HG2 VAL 21 6.431 -5.224 -13.303
174 H VAL 22 H VAL 22 4.004 -6.331 -12.938
175 HA VAL 22 HA VAL 22 2.571 -7.013 -10.464
176 HB VAL 22 HB VAL 22 1.083 -8.431 -11.474
177 1HG1 VAL 22 1HG1 VAL 22 0.550 -6.176 -12.140
178 2HG1 VAL 22 2HG1 VAL 22 0.080 -7.317 -13.401
179 3HG1 VAL 22 3HG1 VAL 22 1.540 -6.344 -13.590
180 1HG2 VAL 22 1HG2 VAL 22 1.302 -9.352 -13.771
181 2HG2 VAL 22 2HG2 VAL 22 2.569 -9.877 -12.660
182 3HG2 VAL 22 3HG2 VAL 22 2.907 -8.627 -13.864
183 H THR 23 H THR 23 3.462 -8.496 -9.256
184 HA THR 23 HA THR 23 5.164 -10.540 -10.480
185 HB THR 23 HB THR 23 6.716 -10.419 -8.533
186 HG1 THR 23 HG1 THR 23 5.059 -8.216 -7.913
187 1HG2 THR 23 1HG2 THR 23 7.376 -9.368 -10.621
188 2HG2 THR 23 2HG2 THR 23 7.944 -8.410 -9.255
189 3HG2 THR 23 3HG2 THR 23 6.529 -7.888 -10.170
190 H ASN 24 H ASN 24 5.275 -12.490 -9.105
191 HA ASN 24 HA ASN 24 2.722 -13.144 -8.125
192 1HB ASN 24 2HB ASN 24 5.368 -14.560 -7.690
193 2HB ASN 24 1HB ASN 24 3.800 -15.234 -7.266
194 1HD2 ASN 24 1HD2 ASN 24 4.003 -16.974 -8.638
195 2HD2 ASN 24 2HD2 ASN 24 3.922 -16.811 -10.361
196 H LYS 25 H LYS 25 5.489 -11.728 -6.665
197 HA LYS 25 HA LYS 25 4.648 -12.277 -3.954
198 1HB LYS 25 2HB LYS 25 6.982 -10.873 -5.188
199 2HB LYS 25 1HB LYS 25 6.614 -10.632 -3.486
200 1HG LYS 25 2HG LYS 25 6.825 -12.999 -3.068
201 2HG LYS 25 1HG LYS 25 7.091 -13.303 -4.785
202 1HD LYS 25 2HD LYS 25 9.179 -12.190 -4.754
203 2HD LYS 25 1HD LYS 25 8.866 -11.498 -3.161
204 1HE LYS 25 2HE LYS 25 9.108 -14.453 -3.674
205 2HE LYS 25 1HE LYS 25 10.467 -13.435 -3.203
206 1HZ LYS 25 1HZ LYS 25 7.969 -13.698 -1.606
207 2HZ LYS 25 2HZ LYS 25 9.396 -12.916 -1.156
208 3HZ LYS 25 3HZ LYS 25 9.379 -14.595 -1.317
209 H THR 26 H THR 26 4.285 -9.634 -6.247
210 HA THR 26 HA THR 26 2.589 -8.249 -4.415
211 HB THR 26 HB THR 26 4.709 -7.600 -3.410
212 HG1 THR 26 HG1 THR 26 2.879 -6.031 -3.792
213 1HG2 THR 26 1HG2 THR 26 6.314 -6.192 -4.642
214 2HG2 THR 26 2HG2 THR 26 5.394 -6.469 -6.123
215 3HG2 THR 26 3HG2 THR 26 6.194 -7.818 -5.314
216 H TYR 27 H TYR 27 1.402 -6.617 -5.309
217 HA TYR 27 HA TYR 27 1.626 -6.184 -8.192
218 1HB TYR 27 2HB TYR 27 -0.444 -5.351 -6.156
219 2HB TYR 27 1HB TYR 27 -0.481 -4.831 -7.829
220 HD1 TYR 27 HD1 TYR 27 -1.041 -6.393 -9.603
221 HD2 TYR 27 HD2 TYR 27 -1.053 -7.600 -5.526
222 HE1 TYR 27 HE1 TYR 27 -2.361 -8.368 -10.203
223 HE2 TYR 27 HE2 TYR 27 -2.368 -9.591 -6.112
224 HH TYR 27 HH TYR 27 -3.956 -10.271 -7.934
225 H GLY 28 H GLY 28 2.879 -4.553 -8.859
226 1HA GLY 28 2HA GLY 28 3.676 -2.425 -7.095
227 2HA GLY 28 1HA GLY 28 4.065 -2.570 -8.804
228 H TYR 29 H TYR 29 2.902 -0.401 -6.964
229 HA TYR 29 HA TYR 29 0.829 0.454 -8.840
230 1HB TYR 29 2HB TYR 29 0.481 -0.215 -5.988
231 2HB TYR 29 1HB TYR 29 -0.237 1.304 -6.484
232 HD1 TYR 29 HD1 TYR 29 -0.331 -2.340 -6.859
233 HD2 TYR 29 HD2 TYR 29 -2.106 1.342 -8.037
234 HE1 TYR 29 HE1 TYR 29 -2.255 -3.570 -7.780
235 HE2 TYR 29 HE2 TYR 29 -4.035 0.126 -8.957
236 HH TYR 29 HH TYR 29 -4.671 -3.096 -8.279
237 H ARG 30 H ARG 30 0.667 2.715 -9.068
238 HA ARG 30 HA ARG 30 2.359 4.404 -7.437
239 1HB ARG 30 2HB ARG 30 3.774 5.156 -9.306
240 2HB ARG 30 1HB ARG 30 4.010 3.454 -8.940
241 1HG ARG 30 2HG ARG 30 2.525 2.884 -10.828
242 2HG ARG 30 1HG ARG 30 2.419 4.602 -11.222
243 1HD ARG 30 2HD ARG 30 4.881 4.645 -11.476
244 2HD ARG 30 1HD ARG 30 4.913 2.905 -11.192
245 HE ARG 30 HE ARG 30 3.208 3.775 -13.371
246 1HH1 ARG 30 1HH1 ARG 30 6.313 2.477 -12.401
247 2HH1 ARG 30 2HH1 ARG 30 6.789 2.085 -14.028
248 1HH2 ARG 30 1HH2 ARG 30 3.812 3.216 -15.488
249 2HH2 ARG 30 2HH2 ARG 30 5.373 2.500 -15.778
250 H ARG 31 H ARG 31 2.054 6.592 -7.723
251 HA ARG 31 HA ARG 31 0.567 7.598 -9.984
252 1HB ARG 31 2HB ARG 31 -1.170 6.968 -8.220
253 2HB ARG 31 1HB ARG 31 -0.479 8.244 -7.224
254 1HG ARG 31 2HG ARG 31 -1.086 9.918 -8.801
255 2HG ARG 31 1HG ARG 31 -1.541 8.706 -9.999
256 1HD ARG 31 2HD ARG 31 -3.593 9.353 -9.162
257 2HD ARG 31 1HD ARG 31 -3.227 7.921 -8.205
258 HE ARG 31 HE ARG 31 -2.360 9.653 -6.505
259 1HH1 ARG 31 1HH1 ARG 31 -5.009 10.218 -8.735
260 2HH1 ARG 31 2HH1 ARG 31 -5.871 11.255 -7.638
261 1HH2 ARG 31 1HH2 ARG 31 -3.508 11.015 -5.068
262 2HH2 ARG 31 2HH2 ARG 31 -5.039 11.689 -5.551
263 H GLY 32 H GLY 32 2.092 9.000 -10.609
264 1HA GLY 32 2HA GLY 32 3.412 10.906 -10.543
265 2HA GLY 32 1HA GLY 32 2.855 11.196 -8.898
266 H GLU 33 H GLU 33 4.614 11.316 -7.608
267 HA GLU 33 HA GLU 33 6.762 9.359 -8.004
268 1HB GLU 33 2HB GLU 33 7.228 11.851 -7.599
269 2HB GLU 33 1HB GLU 33 6.731 11.556 -5.937
270 1HG GLU 33 2HG GLU 33 8.486 9.758 -5.842
271 2HG GLU 33 1HG GLU 33 9.060 10.347 -7.401
272 H ASN 34 H ASN 34 3.910 9.161 -6.748
273 HA ASN 34 HA ASN 34 4.569 8.174 -4.085
274 1HB ASN 34 2HB ASN 34 1.896 8.288 -5.512
275 2HB ASN 34 1HB ASN 34 2.142 7.854 -3.825
276 1HD2 ASN 34 1HD2 ASN 34 4.177 9.896 -3.382
277 2HD2 ASN 34 2HD2 ASN 34 3.330 11.402 -3.333
278 H TYR 35 H TYR 35 5.461 6.224 -4.068
279 HA TYR 35 HA TYR 35 4.452 4.199 -5.943
280 1HB TYR 35 2HB TYR 35 7.115 4.402 -4.531
281 2HB TYR 35 1HB TYR 35 6.604 3.007 -5.473
282 HD1 TYR 35 HD1 TYR 35 8.506 5.895 -5.590
283 HD2 TYR 35 HD2 TYR 35 5.700 3.712 -7.923
284 HE1 TYR 35 HE1 TYR 35 9.389 6.947 -7.630
285 HE2 TYR 35 HE2 TYR 35 6.574 4.756 -9.967
286 HH TYR 35 HH TYR 35 9.478 6.281 -10.142
287 H VAL 36 H VAL 36 3.396 2.528 -5.206
288 HA VAL 36 HA VAL 36 3.872 1.594 -2.472
289 HB VAL 36 HB VAL 36 1.420 1.072 -2.251
290 1HG1 VAL 36 1HG1 VAL 36 0.775 3.330 -1.564
291 2HG1 VAL 36 2HG1 VAL 36 2.146 3.991 -2.454
292 3HG1 VAL 36 3HG1 VAL 36 2.422 2.945 -1.062
293 1HG2 VAL 36 1HG2 VAL 36 1.154 2.986 -4.566
294 2HG2 VAL 36 2HG2 VAL 36 -0.173 2.324 -3.611
295 3HG2 VAL 36 3HG2 VAL 36 0.813 1.258 -4.613
296 H TYR 37 H TYR 37 3.434 -0.641 -2.186
297 HA TYR 37 HA TYR 37 3.020 -2.159 -4.676
298 1HB TYR 37 2HB TYR 37 5.161 -2.710 -2.603
299 2HB TYR 37 1HB TYR 37 4.789 -3.737 -3.983
300 HD1 TYR 37 HD1 TYR 37 6.454 -0.715 -2.854
301 HD2 TYR 37 HD2 TYR 37 5.313 -2.967 -6.281
302 HE1 TYR 37 HE1 TYR 37 8.037 0.572 -4.220
303 HE2 TYR 37 HE2 TYR 37 6.897 -1.683 -7.656
304 HH TYR 37 HH TYR 37 8.023 0.513 -7.612
305 H VAL 38 H VAL 38 1.315 -3.418 -4.406
306 HA VAL 38 HA VAL 38 0.324 -4.045 -1.764
307 HB VAL 38 HB VAL 38 -0.710 -4.993 -4.439
308 1HG1 VAL 38 1HG1 VAL 38 -2.020 -4.936 -1.724
309 2HG1 VAL 38 2HG1 VAL 38 -1.453 -6.372 -2.576
310 3HG1 VAL 38 3HG1 VAL 38 -2.793 -5.428 -3.230
311 1HG2 VAL 38 1HG2 VAL 38 -1.572 -2.634 -2.774
312 2HG2 VAL 38 2HG2 VAL 38 -2.373 -3.209 -4.236
313 3HG2 VAL 38 3HG2 VAL 38 -0.733 -2.566 -4.324
314 H ASN 39 H ASN 39 1.511 -5.493 -0.722
315 HA ASN 39 HA ASN 39 2.991 -7.575 -1.916
316 1HB ASN 39 2HB ASN 39 3.395 -6.574 0.362
317 2HB ASN 39 1HB ASN 39 1.997 -7.467 0.940
318 1HD2 ASN 39 1HD2 ASN 39 4.358 -8.630 -1.391
319 2HD2 ASN 39 2HD2 ASN 39 5.006 -9.884 -0.382
320 H ARG 40 H ARG 40 2.156 -9.223 -2.965
321 HA ARG 40 HA ARG 40 -0.555 -10.086 -2.572
322 1HB ARG 40 2HB ARG 40 0.539 -10.038 -4.801
323 2HB ARG 40 1HB ARG 40 1.649 -11.290 -4.266
324 1HG ARG 40 2HG ARG 40 -0.207 -12.845 -4.011
325 2HG ARG 40 1HG ARG 40 -1.340 -11.583 -4.500
326 1HD ARG 40 2HD ARG 40 -0.309 -11.458 -6.683
327 2HD ARG 40 1HD ARG 40 0.925 -12.621 -6.198
328 HE ARG 40 HE ARG 40 -1.296 -14.043 -5.815
329 1HH1 ARG 40 1HH1 ARG 40 -0.372 -12.023 -8.540
330 2HH1 ARG 40 2HH1 ARG 40 -1.222 -13.004 -9.697
331 1HH2 ARG 40 1HH2 ARG 40 -2.401 -15.304 -7.341
332 2HH2 ARG 40 2HH2 ARG 40 -2.356 -14.863 -9.024
333 H GLU 41 H GLU 41 2.308 -10.662 -1.029
334 HA GLU 41 HA GLU 41 1.825 -13.405 -0.282
335 1HB GLU 41 2HB GLU 41 3.750 -11.410 0.923
336 2HB GLU 41 1HB GLU 41 3.789 -13.158 1.112
337 1HG GLU 41 2HG GLU 41 4.328 -13.448 -1.214
338 2HG GLU 41 1HG GLU 41 4.150 -11.719 -1.507
339 H ALA 42 H ALA 42 0.327 -10.607 0.437
340 HA ALA 42 HA ALA 42 -0.110 -10.835 3.240
341 1HB ALA 42 1HB ALA 42 -2.035 -9.376 2.856
342 2HB ALA 42 2HB ALA 42 -1.870 -9.606 1.114
343 3HB ALA 42 3HB ALA 42 -0.605 -8.772 2.017
344 H ARG 43 H ARG 43 -0.840 -12.690 4.027
345 HA ARG 43 HA ARG 43 -2.496 -14.440 2.464
346 1HB ARG 43 2HB ARG 43 -1.695 -14.708 5.364
347 2HB ARG 43 1HB ARG 43 -2.242 -15.992 4.289
348 1HG ARG 43 2HG ARG 43 -0.262 -15.756 2.933
349 2HG ARG 43 1HG ARG 43 0.274 -14.384 3.900
350 1HD ARG 43 2HD ARG 43 0.323 -15.927 5.878
351 2HD ARG 43 1HD ARG 43 0.029 -17.260 4.760
352 HE ARG 43 HE ARG 43 2.457 -15.610 4.920
353 1HH1 ARG 43 1HH1 ARG 43 0.738 -18.332 3.521
354 2HH1 ARG 43 2HH1 ARG 43 2.167 -19.030 2.808
355 1HH2 ARG 43 1HH2 ARG 43 4.335 -16.521 3.985
356 2HH2 ARG 43 2HH2 ARG 43 4.209 -17.997 3.077
357 H MET 44 H MET 44 -2.925 -12.756 5.580
358 HA MET 44 HA MET 44 -5.793 -12.601 4.973
359 1HB MET 44 2HB MET 44 -4.540 -13.608 7.513
360 2HB MET 44 1HB MET 44 -6.157 -12.919 7.504
361 1HG MET 44 2HG MET 44 -5.264 -15.264 5.846
362 2HG MET 44 1HG MET 44 -6.165 -15.366 7.359
363 1HE MET 44 1HE MET 44 -8.763 -16.365 4.553
364 2HE MET 44 2HE MET 44 -7.908 -16.907 5.998
365 3HE MET 44 3HE MET 44 -7.025 -16.657 4.492
366 H GLY 45 H GLY 45 -3.238 -10.784 5.194
367 1HA GLY 45 2HA GLY 45 -3.827 -8.393 5.074
368 2HA GLY 45 1HA GLY 45 -4.757 -8.634 6.538
369 H ARG 46 H ARG 46 -1.659 -10.138 6.335
370 HA ARG 46 HA ARG 46 -0.577 -8.076 8.061
371 1HB ARG 46 2HB ARG 46 -0.558 -11.019 8.358
372 2HB ARG 46 1HB ARG 46 0.970 -10.210 8.677
373 1HG ARG 46 2HG ARG 46 -0.088 -8.778 10.316
374 2HG ARG 46 1HG ARG 46 -1.651 -9.502 9.963
375 1HD ARG 46 2HD ARG 46 -0.833 -11.663 10.766
376 2HD ARG 46 1HD ARG 46 0.740 -10.938 11.104
377 HE ARG 46 HE ARG 46 -1.048 -9.395 12.487
378 1HH1 ARG 46 1HH1 ARG 46 -0.207 -12.792 12.447
379 2HH1 ARG 46 2HH1 ARG 46 -0.638 -13.048 14.106
380 1HH2 ARG 46 1HH2 ARG 46 -1.603 -9.725 14.669
381 2HH2 ARG 46 2HH2 ARG 46 -1.421 -11.300 15.378
382 H THR 47 H THR 47 0.364 -6.976 6.738
383 HA THR 47 HA THR 47 2.082 -6.104 5.551
384 HB THR 47 HB THR 47 4.003 -7.269 4.844
385 HG1 THR 47 HG1 THR 47 2.430 -9.168 4.100
386 1HG2 THR 47 1HG2 THR 47 4.648 -8.709 6.766
387 2HG2 THR 47 2HG2 THR 47 2.976 -8.630 7.328
388 3HG2 THR 47 3HG2 THR 47 3.951 -7.161 7.240
389 H ALA 48 H ALA 48 1.315 -5.237 3.802
390 HA ALA 48 HA ALA 48 0.473 -6.751 1.506
391 1HB ALA 48 1HB ALA 48 -1.426 -7.143 2.989
392 2HB ALA 48 2HB ALA 48 -1.889 -6.135 1.617
393 3HB ALA 48 3HB ALA 48 -1.626 -5.405 3.201
394 H LEU 49 H LEU 49 0.402 -3.632 3.232
395 HA LEU 49 HA LEU 49 0.643 -2.382 0.586
396 1HB LEU 49 2HB LEU 49 -1.224 -1.561 2.006
397 2HB LEU 49 1HB LEU 49 -0.044 -1.028 3.193
398 HG LEU 49 HG LEU 49 0.922 0.526 1.542
399 1HD1 LEU 49 1HD1 LEU 49 -0.198 0.924 -0.574
400 2HD1 LEU 49 2HD1 LEU 49 -1.341 -0.377 -0.234
401 3HD1 LEU 49 3HD1 LEU 49 0.369 -0.743 -0.477
402 1HD2 LEU 49 1HD2 LEU 49 -0.828 1.309 3.044
403 2HD2 LEU 49 2HD2 LEU 49 -2.058 0.821 1.877
404 3HD2 LEU 49 3HD2 LEU 49 -0.921 2.109 1.476
405 H ILE 50 H ILE 50 2.700 -2.322 0.064
406 HA ILE 50 HA ILE 50 4.661 -1.357 2.019
407 HB ILE 50 HB ILE 50 5.207 -2.216 -0.826
408 1HG1 ILE 50 2HG1 ILE 50 4.131 -4.091 0.353
409 2HG1 ILE 50 1HG1 ILE 50 5.832 -4.426 0.044
410 1HG2 ILE 50 1HG2 ILE 50 7.482 -2.581 0.034
411 2HG2 ILE 50 2HG2 ILE 50 6.962 -1.986 1.613
412 3HG2 ILE 50 3HG2 ILE 50 6.954 -0.907 0.217
413 1HD1 ILE 50 1HD1 ILE 50 4.623 -3.568 2.657
414 2HD1 ILE 50 2HD1 ILE 50 6.346 -3.815 2.368
415 3HD1 ILE 50 3HD1 ILE 50 5.228 -5.173 2.247
416 H ILE 51 H ILE 51 5.672 0.635 1.740
417 HA ILE 51 HA ILE 51 4.804 2.220 -0.581
418 HB ILE 51 HB ILE 51 4.533 4.208 0.746
419 1HG1 ILE 51 2HG1 ILE 51 5.108 2.567 3.215
420 2HG1 ILE 51 1HG1 ILE 51 6.314 3.577 2.424
421 1HG2 ILE 51 1HG2 ILE 51 3.044 1.892 1.971
422 2HG2 ILE 51 2HG2 ILE 51 2.558 2.841 0.565
423 3HG2 ILE 51 3HG2 ILE 51 2.610 3.591 2.161
424 1HD1 ILE 51 1HD1 ILE 51 4.931 5.544 2.837
425 2HD1 ILE 51 2HD1 ILE 51 5.332 4.703 4.334
426 3HD1 ILE 51 3HD1 ILE 51 3.726 4.529 3.628
427 H HIS 52 H HIS 52 6.194 4.040 -1.044
428 HA HIS 52 HA HIS 52 8.937 3.697 -0.984
429 1HB HIS 52 2HB HIS 52 7.859 5.346 -2.421
430 2HB HIS 52 1HB HIS 52 7.287 6.246 -1.024
431 HD1 HIS 52 HD1 HIS 52 9.439 7.159 0.534
432 HD2 HIS 52 HD2 HIS 52 10.083 6.440 -3.506
433 HE1 HIS 52 HE1 HIS 52 11.501 8.455 -0.043
434 HE2 HIS 52 HE2 HIS 52 11.672 8.261 -2.564
435 HA PRO 53 HA PRO 53 9.966 4.226 3.380
436 1HB PRO 53 2HB PRO 53 12.575 5.000 2.160
437 2HB PRO 53 1HB PRO 53 12.231 3.831 3.441
438 1HG PRO 53 2HG PRO 53 12.810 2.975 1.006
439 2HG PRO 53 1HG PRO 53 11.507 2.201 1.933
440 1HD PRO 53 2HD PRO 53 11.322 4.193 -0.301
441 2HD PRO 53 1HD PRO 53 10.340 2.743 -0.001
442 H ARG 54 H ARG 54 11.777 6.012 4.354
443 HA ARG 54 HA ARG 54 12.038 8.167 5.016
444 1HB ARG 54 2HB ARG 54 12.505 8.953 2.841
445 2HB ARG 54 1HB ARG 54 10.834 8.760 2.328
446 1HG ARG 54 2HG ARG 54 10.136 10.611 3.677
447 2HG ARG 54 1HG ARG 54 11.733 10.733 4.416
448 1HD ARG 54 2HD ARG 54 11.117 11.166 1.496
449 2HD ARG 54 1HD ARG 54 11.367 12.441 2.691
450 HE ARG 54 HE ARG 54 13.396 10.671 1.553
451 1HH1 ARG 54 1HH1 ARG 54 12.599 13.225 3.814
452 2HH1 ARG 54 2HH1 ARG 54 14.251 13.664 4.095
453 1HH2 ARG 54 1HH2 ARG 54 15.556 11.255 1.896
454 2HH2 ARG 54 2HH2 ARG 54 15.948 12.561 2.981
455 H LEU 55 H LEU 55 8.895 7.536 3.566
456 HA LEU 55 HA LEU 55 7.432 9.282 5.287
457 1HB LEU 55 2HB LEU 55 6.735 7.201 3.252
458 2HB LEU 55 1HB LEU 55 5.487 7.853 4.296
459 HG LEU 55 HG LEU 55 7.241 9.562 2.537
460 1HD1 LEU 55 1HD1 LEU 55 5.289 9.734 1.065
461 2HD1 LEU 55 2HD1 LEU 55 4.447 8.532 2.045
462 3HD1 LEU 55 3HD1 LEU 55 5.899 8.081 1.147
463 1HD2 LEU 55 1HD2 LEU 55 6.356 10.774 4.389
464 2HD2 LEU 55 2HD2 LEU 55 4.757 10.057 4.167
465 3HD2 LEU 55 3HD2 LEU 55 5.393 11.195 2.971
466 H LYS 56 H LYS 56 9.033 6.688 6.167
467 HA LYS 56 HA LYS 56 7.231 4.952 7.404
468 1HB LYS 56 2HB LYS 56 9.673 4.567 7.057
469 2HB LYS 56 1HB LYS 56 10.002 5.708 8.351
470 1HG LYS 56 2HG LYS 56 8.788 4.245 9.914
471 2HG LYS 56 1HG LYS 56 8.539 3.089 8.602
472 1HD LYS 56 2HD LYS 56 10.970 2.873 8.346
473 2HD LYS 56 1HD LYS 56 11.204 4.007 9.680
474 1HE LYS 56 2HE LYS 56 9.967 2.447 11.157
475 2HE LYS 56 1HE LYS 56 9.882 1.301 9.820
476 1HZ LYS 56 1HZ LYS 56 12.356 1.360 9.775
477 2HZ LYS 56 2HZ LYS 56 11.701 0.685 11.182
478 3HZ LYS 56 3HZ LYS 56 12.321 2.266 11.207
479 H ASP 57 H ASP 57 8.840 7.860 8.642
480 HA ASP 57 HA ASP 57 7.802 7.764 11.256
481 1HB ASP 57 2HB ASP 57 9.735 9.126 10.718
482 2HB ASP 57 1HB ASP 57 8.782 10.101 9.608
483 H ARG 58 H ARG 58 6.762 9.658 8.440
484 HA ARG 58 HA ARG 58 4.505 10.850 9.598
485 1HB ARG 58 2HB ARG 58 5.355 11.738 7.566
486 2HB ARG 58 1HB ARG 58 5.253 10.184 6.757
487 1HG ARG 58 2HG ARG 58 3.532 11.546 5.885
488 2HG ARG 58 1HG ARG 58 2.766 10.349 6.924
489 1HD ARG 58 2HD ARG 58 2.454 11.961 8.662
490 2HD ARG 58 1HD ARG 58 3.433 13.153 7.804
491 HE ARG 58 HE ARG 58 0.978 12.157 6.548
492 1HH1 ARG 58 1HH1 ARG 58 2.706 14.774 8.100
493 2HH1 ARG 58 2HH1 ARG 58 1.642 16.001 7.490
494 1HH2 ARG 58 1HH2 ARG 58 -0.420 13.765 5.734
495 2HH2 ARG 58 2HH2 ARG 58 -0.133 15.435 6.124
496 H SER 59 H SER 59 4.654 8.018 7.439
497 HA SER 59 HA SER 59 1.889 7.550 7.429
498 1HB SER 59 2HB SER 59 2.401 5.563 6.211
499 2HB SER 59 1HB SER 59 3.594 6.759 5.751
500 HG SER 59 HG SER 59 5.104 5.763 7.025
501 H SER 60 H SER 60 4.312 6.658 9.722
502 HA SER 60 HA SER 60 3.171 4.372 10.864
503 1HB SER 60 2HB SER 60 5.491 5.263 11.265
504 2HB SER 60 1HB SER 60 4.778 6.483 12.315
505 HG SER 60 HG SER 60 4.137 4.912 13.730
506 H SER 61 H SER 61 2.367 7.748 11.219
507 HA SER 61 HA SER 61 0.808 7.310 13.622
508 1HB SER 61 2HB SER 61 0.981 9.793 11.899
509 2HB SER 61 1HB SER 61 0.400 9.693 13.562
510 HG SER 61 HG SER 61 2.791 8.646 13.597
511 H LEU 62 H LEU 62 0.244 6.338 10.658
512 HA LEU 62 HA LEU 62 -2.602 7.101 10.672
513 1HB LEU 62 2HB LEU 62 -0.786 6.544 8.329
514 2HB LEU 62 1HB LEU 62 -2.527 6.689 8.197
515 HG LEU 62 HG LEU 62 -0.685 8.878 9.160
516 1HD1 LEU 62 1HD1 LEU 62 -1.178 9.936 7.010
517 2HD1 LEU 62 2HD1 LEU 62 -2.084 8.506 6.515
518 3HD1 LEU 62 3HD1 LEU 62 -0.348 8.393 6.799
519 1HD2 LEU 62 1HD2 LEU 62 -3.632 8.891 8.506
520 2HD2 LEU 62 2HD2 LEU 62 -2.663 10.301 8.942
521 3HD2 LEU 62 3HD2 LEU 62 -2.927 9.011 10.117
522 H ALA 63 H ALA 63 -0.289 4.526 9.898
523 HA ALA 63 HA ALA 63 -2.530 2.616 9.982
524 1HB ALA 63 1HB ALA 63 -0.142 2.493 8.153
525 2HB ALA 63 2HB ALA 63 -1.766 3.001 7.688
526 3HB ALA 63 3HB ALA 63 -1.478 1.343 8.213
527 H ASP 64 H ASP 64 -1.661 0.301 10.165
528 HA ASP 64 HA ASP 64 0.170 0.244 12.446
529 1HB ASP 64 2HB ASP 64 -1.861 -1.699 11.369
530 2HB ASP 64 1HB ASP 64 -0.643 -2.203 12.533
531 HA PRO 65 HA PRO 65 3.218 -1.595 9.681
532 1HB PRO 65 2HB PRO 65 5.028 -1.413 11.938
533 2HB PRO 65 1HB PRO 65 5.091 -0.553 10.400
534 1HG PRO 65 2HG PRO 65 4.548 0.666 12.781
535 2HG PRO 65 1HG PRO 65 3.957 1.261 11.218
536 1HD PRO 65 2HD PRO 65 2.520 -0.331 13.309
537 2HD PRO 65 1HD PRO 65 1.928 1.017 12.313
538 H ALA 66 H ALA 66 2.919 -3.717 9.472
539 HA ALA 66 HA ALA 66 2.410 -5.465 11.670
540 1HB ALA 66 1HB ALA 66 2.451 -7.250 9.994
541 2HB ALA 66 2HB ALA 66 3.091 -6.118 8.802
542 3HB ALA 66 3HB ALA 66 1.467 -5.889 9.456
543 H SER 67 H SER 67 5.189 -4.420 9.961
544 HA SER 67 HA SER 67 6.918 -6.024 11.685
545 1HB SER 67 2HB SER 67 6.837 -7.131 9.496
546 2HB SER 67 1HB SER 67 7.309 -5.619 8.724
547 HG SER 67 HG SER 67 8.844 -7.191 10.534
548 H ASP 68 H ASP 68 8.701 -4.567 9.511
549 HA ASP 68 HA ASP 68 8.607 -1.821 10.446
550 1HB ASP 68 2HB ASP 68 10.058 -3.139 12.096
551 2HB ASP 68 1HB ASP 68 11.176 -3.376 10.764
552 H ILE 69 H ILE 69 10.601 -4.215 8.809
553 HA ILE 69 HA ILE 69 10.551 -2.605 6.380
554 HB ILE 69 HB ILE 69 13.034 -3.347 6.085
555 1HG1 ILE 69 2HG1 ILE 69 12.870 -3.140 9.078
556 2HG1 ILE 69 1HG1 ILE 69 12.948 -4.673 8.237
557 1HG2 ILE 69 1HG2 ILE 69 12.260 -1.079 7.919
558 2HG2 ILE 69 2HG2 ILE 69 12.272 -1.030 6.157
559 3HG2 ILE 69 3HG2 ILE 69 13.785 -1.218 7.042
560 1HD1 ILE 69 1HD1 ILE 69 15.042 -2.509 8.161
561 2HD1 ILE 69 2HD1 ILE 69 15.127 -4.058 7.324
562 3HD1 ILE 69 3HD1 ILE 69 15.130 -4.009 9.085
563 H LYS 70 H LYS 70 10.644 -3.773 4.533
564 HA LYS 70 HA LYS 70 10.767 -6.698 4.805
565 1HB LYS 70 2HB LYS 70 8.419 -6.087 4.659
566 2HB LYS 70 1HB LYS 70 8.727 -5.127 3.220
567 1HG LYS 70 2HG LYS 70 9.277 -7.114 1.960
568 2HG LYS 70 1HG LYS 70 9.113 -8.111 3.408
569 1HD LYS 70 2HD LYS 70 6.775 -7.706 3.525
570 2HD LYS 70 1HD LYS 70 6.867 -6.439 2.302
571 1HE LYS 70 2HE LYS 70 5.942 -8.432 1.318
572 2HE LYS 70 1HE LYS 70 7.539 -8.130 0.642
573 1HZ LYS 70 1HZ LYS 70 6.979 -10.072 2.817
574 2HZ LYS 70 2HZ LYS 70 8.459 -9.842 2.023
575 3HZ LYS 70 3HZ LYS 70 7.130 -10.476 1.175
576 H THR 71 H THR 71 12.532 -7.244 3.803
577 HA THR 71 HA THR 71 13.496 -5.854 1.454
578 HB THR 71 HB THR 71 15.324 -7.648 1.677
579 HG1 THR 71 HG1 THR 71 14.637 -9.211 2.977
580 1HG2 THR 71 1HG2 THR 71 14.788 -5.717 3.944
581 2HG2 THR 71 2HG2 THR 71 15.695 -5.386 2.465
582 3HG2 THR 71 3HG2 THR 71 16.334 -6.518 3.657
583 H CYS 72 H CYS 72 13.260 -6.622 -0.686
584 HA CYS 72 HA CYS 72 12.490 -9.307 -1.245
585 1HB CYS 72 2HB CYS 72 10.440 -8.492 -0.089
586 2HB CYS 72 1HB CYS 72 10.237 -7.297 -1.361
587 HG CYS 72 HG CYS 72 10.322 -9.692 -3.236
588 H ASP 73 H ASP 73 13.981 -6.759 -2.289
589 HA ASP 73 HA ASP 73 14.860 -6.184 -4.292
590 1HB ASP 73 2HB ASP 73 15.059 -8.502 -4.812
591 2HB ASP 73 1HB ASP 73 13.352 -8.618 -5.225
592 H HIS 74 H HIS 74 11.367 -6.738 -4.433
593 HA HIS 74 HA HIS 74 11.082 -5.269 -6.885
594 1HB HIS 74 2HB HIS 74 8.998 -6.297 -4.949
595 2HB HIS 74 1HB HIS 74 8.648 -5.601 -6.526
596 HD1 HIS 74 HD1 HIS 74 8.053 -8.603 -5.557
597 HD2 HIS 74 HD2 HIS 74 11.117 -7.351 -8.062
598 HE1 HIS 74 HE1 HIS 74 8.697 -10.631 -6.895
599 HE2 HIS 74 HE2 HIS 74 10.726 -9.901 -8.210
600 H TYR 75 H TYR 75 11.563 -4.214 -3.768
601 HA TYR 75 HA TYR 75 9.877 -1.831 -4.140
602 1HB TYR 75 2HB TYR 75 11.282 -2.646 -1.593
603 2HB TYR 75 1HB TYR 75 9.971 -1.483 -1.783
604 HD1 TYR 75 HD1 TYR 75 10.479 -4.369 -0.255
605 HD2 TYR 75 HD2 TYR 75 8.028 -2.907 -3.408
606 HE1 TYR 75 HE1 TYR 75 8.849 -6.160 0.184
607 HE2 TYR 75 HE2 TYR 75 6.398 -4.689 -2.973
608 HH TYR 75 HH TYR 75 6.369 -6.529 -0.209
609 H GLN 76 H GLN 76 11.526 -1.208 -5.763
610 HA GLN 76 HA GLN 76 14.202 -0.675 -4.833
611 1HB GLN 76 2HB GLN 76 14.553 0.033 -7.191
612 2HB GLN 76 1HB GLN 76 13.999 -1.620 -7.001
613 1HG GLN 76 2HG GLN 76 11.717 -0.898 -7.553
614 2HG GLN 76 1HG GLN 76 12.306 0.745 -7.786
615 1HE2 GLN 76 1HE2 GLN 76 10.997 -1.099 -9.653
616 2HE2 GLN 76 2HE2 GLN 76 12.076 -1.249 -10.995
617 H ASN 77 H ASN 77 11.784 0.974 -3.948
618 HA ASN 77 HA ASN 77 11.936 3.507 -5.176
619 1HB ASN 77 2HB ASN 77 11.004 2.857 -2.377
620 2HB ASN 77 1HB ASN 77 10.664 4.338 -3.264
621 1HD2 ASN 77 1HD2 ASN 77 10.340 2.781 -5.786
622 2HD2 ASN 77 2HD2 ASN 77 8.780 2.047 -5.662
623 H PHE 78 H PHE 78 13.913 4.293 -5.340
624 HA PHE 78 HA PHE 78 15.847 5.267 -4.871
625 1HB PHE 78 2HB PHE 78 13.972 6.675 -3.021
626 2HB PHE 78 1HB PHE 78 15.624 7.223 -3.285
627 HD1 PHE 78 HD1 PHE 78 16.303 8.129 -5.427
628 HD2 PHE 78 HD2 PHE 78 12.304 6.844 -4.752
629 HE1 PHE 78 HE1 PHE 78 15.584 9.318 -7.453
630 HE2 PHE 78 HE2 PHE 78 11.578 8.033 -6.780
631 HZ PHE 78 HZ PHE 78 13.219 9.273 -8.133
632 HA PRO 79 HA PRO 79 17.535 5.287 -0.209
633 1HB PRO 79 2HB PRO 79 15.813 3.177 0.864
634 2HB PRO 79 1HB PRO 79 16.293 4.715 1.587
635 1HG PRO 79 2HG PRO 79 13.889 4.056 0.060
636 2HG PRO 79 1HG PRO 79 14.214 5.475 1.072
637 1HD PRO 79 2HD PRO 79 13.979 5.642 -1.589
638 2HD PRO 79 1HD PRO 79 15.139 6.655 -0.698
639 H LEU 80 H LEU 80 16.094 2.074 -0.583
640 HA LEU 80 HA LEU 80 16.953 0.044 -1.216
641 1HB LEU 80 2HB LEU 80 17.923 1.736 -3.054
642 2HB LEU 80 1HB LEU 80 19.435 1.260 -2.311
643 HG LEU 80 HG LEU 80 17.449 -0.566 -3.643
644 1HD1 LEU 80 1HD1 LEU 80 20.209 0.356 -4.423
645 2HD1 LEU 80 2HD1 LEU 80 18.691 0.781 -5.217
646 3HD1 LEU 80 3HD1 LEU 80 19.274 -0.884 -5.261
647 1HD2 LEU 80 1HD2 LEU 80 18.480 -1.735 -1.821
648 2HD2 LEU 80 2HD2 LEU 80 20.072 -1.148 -2.294
649 3HD2 LEU 80 3HD2 LEU 80 19.203 -2.280 -3.334
650 H TYR 81 H TYR 81 17.774 -1.368 0.130
651 HA TYR 81 HA TYR 81 19.484 -0.565 2.296
652 1HB TYR 81 2HB TYR 81 17.559 -2.257 2.343
653 2HB TYR 81 1HB TYR 81 18.660 -3.375 1.552
654 HD1 TYR 81 HD1 TYR 81 18.046 -1.455 4.643
655 HD2 TYR 81 HD2 TYR 81 20.337 -4.527 2.789
656 HE1 TYR 81 HE1 TYR 81 18.864 -2.168 6.848
657 HE2 TYR 81 HE2 TYR 81 21.164 -5.243 4.992
658 HH TYR 81 HH TYR 81 19.771 -4.180 7.907
659 H LEU 82 H LEU 82 21.651 -0.502 2.164
660 HA LEU 82 HA LEU 82 22.899 -1.721 -0.184
661 1HB LEU 82 2HB LEU 82 24.003 0.283 1.780
662 2HB LEU 82 1HB LEU 82 24.759 -0.214 0.277
663 HG LEU 82 HG LEU 82 22.116 1.234 0.479
664 1HD1 LEU 82 1HD1 LEU 82 24.841 2.247 -0.298
665 2HD1 LEU 82 2HD1 LEU 82 23.975 2.634 1.188
666 3HD1 LEU 82 3HD1 LEU 82 23.337 3.164 -0.369
667 1HD2 LEU 82 1HD2 LEU 82 22.340 1.512 -1.932
668 2HD2 LEU 82 2HD2 LEU 82 22.310 -0.197 -1.501
669 3HD2 LEU 82 3HD2 LEU 82 23.839 0.580 -1.913
670 H GLY 83 H GLY 83 22.491 -2.430 3.046
671 1HA GLY 83 2HA GLY 83 25.065 -3.515 3.657
672 2HA GLY 83 1HA GLY 83 23.582 -3.792 4.557
673 H GLY 84 H GLY 84 25.581 -4.883 1.905
674 1HA GLY 84 2HA GLY 84 25.493 -7.529 2.274
675 2HA GLY 84 1HA GLY 84 23.961 -7.254 1.456
676 H GLU 85 H GLU 85 25.808 -8.898 0.270
677 HA GLU 85 HA GLU 85 27.480 -7.668 -1.614
678 1HB GLU 85 2HB GLU 85 25.894 -10.178 -2.159
679 2HB GLU 85 1HB GLU 85 27.463 -9.731 -2.792
680 1HG GLU 85 2HG GLU 85 27.942 -11.385 -1.253
681 2HG GLU 85 1HG GLU 85 28.283 -9.895 -0.378
682 H THR 86 H THR 86 24.221 -8.983 -2.009
683 HA THR 86 HA THR 86 23.685 -7.277 -4.277
684 HB THR 86 HB THR 86 21.318 -8.317 -3.899
685 HG1 THR 86 HG1 THR 86 22.658 -10.445 -2.680
686 1HG2 THR 86 1HG2 THR 86 21.965 -10.336 -5.114
687 2HG2 THR 86 2HG2 THR 86 23.654 -10.058 -4.690
688 3HG2 THR 86 3HG2 THR 86 22.813 -8.923 -5.744
689 H HIS 87 H HIS 87 22.652 -5.366 -4.171
690 HA HIS 87 HA HIS 87 22.013 -4.308 -1.559
691 1HB HIS 87 2HB HIS 87 21.769 -3.051 -4.307
692 2HB HIS 87 1HB HIS 87 21.483 -2.218 -2.785
693 HD1 HIS 87 HD1 HIS 87 23.607 -1.007 -4.473
694 HD2 HIS 87 HD2 HIS 87 24.401 -4.089 -1.792
695 HE1 HIS 87 HE1 HIS 87 26.062 -0.856 -3.966
696 HE2 HIS 87 HE2 HIS 87 26.559 -2.885 -2.557
697 H GLU 88 H GLU 88 19.986 -4.013 -0.714
698 HA GLU 88 HA GLU 88 18.030 -5.721 -2.079
699 1HB GLU 88 2HB GLU 88 18.926 -6.587 0.022
700 2HB GLU 88 1HB GLU 88 18.397 -5.132 0.855
701 1HG GLU 88 2HG GLU 88 16.927 -7.072 1.188
702 2HG GLU 88 1HG GLU 88 16.113 -5.669 0.498
703 H HIS 89 H HIS 89 16.194 -4.920 -2.688
704 HA HIS 89 HA HIS 89 15.681 -2.101 -2.160
705 1HB HIS 89 2HB HIS 89 14.120 -3.956 -3.971
706 2HB HIS 89 1HB HIS 89 14.160 -2.199 -4.012
707 HD1 HIS 89 HD1 HIS 89 16.207 -1.089 -5.189
708 HD2 HIS 89 HD2 HIS 89 16.245 -5.241 -5.243
709 HE1 HIS 89 HE1 HIS 89 17.964 -1.726 -6.864
710 HE2 HIS 89 HE2 HIS 89 17.818 -4.233 -7.033
711 H TYR 90 H TYR 90 14.613 -1.750 -0.302
712 HA TYR 90 HA TYR 90 12.646 -3.754 0.580
713 1HB TYR 90 2HB TYR 90 13.263 -3.303 2.839
714 2HB TYR 90 1HB TYR 90 14.761 -3.514 1.942
715 HD1 TYR 90 HD1 TYR 90 15.900 -1.319 1.091
716 HD2 TYR 90 HD2 TYR 90 12.984 -1.432 4.187
717 HE1 TYR 90 HE1 TYR 90 16.680 0.868 1.906
718 HE2 TYR 90 HE2 TYR 90 13.759 0.751 5.004
719 HH TYR 90 HH TYR 90 15.741 2.788 3.236
720 H GLY 91 H GLY 91 10.879 -2.994 1.876
721 1HA GLY 91 2HA GLY 91 10.334 -0.115 1.824
722 2HA GLY 91 1HA GLY 91 9.146 -1.199 1.105
723 H ILE 92 H ILE 92 8.215 0.288 3.116
724 HA ILE 92 HA ILE 92 8.501 -1.250 5.585
725 HB ILE 92 HB ILE 92 7.009 1.337 5.105
726 1HG1 ILE 92 2HG1 ILE 92 8.848 2.180 6.714
727 2HG1 ILE 92 1HG1 ILE 92 9.707 0.706 6.288
728 1HG2 ILE 92 1HG2 ILE 92 7.545 -0.128 7.686
729 2HG2 ILE 92 2HG2 ILE 92 5.979 0.028 6.889
730 3HG2 ILE 92 3HG2 ILE 92 6.786 1.456 7.538
731 1HD1 ILE 92 1HD1 ILE 92 9.745 1.381 3.959
732 2HD1 ILE 92 2HD1 ILE 92 10.457 2.626 4.984
733 3HD1 ILE 92 3HD1 ILE 92 8.824 2.833 4.351
734 HA PRO 93 HA PRO 93 4.740 -3.414 4.470
735 1HB PRO 93 2HB PRO 93 4.832 -5.188 6.506
736 2HB PRO 93 1HB PRO 93 5.849 -5.330 5.068
737 1HG PRO 93 2HG PRO 93 6.535 -4.298 7.782
738 2HG PRO 93 1HG PRO 93 7.503 -5.301 6.687
739 1HD PRO 93 2HD PRO 93 7.844 -2.602 6.998
740 2HD PRO 93 1HD PRO 93 8.274 -3.491 5.525
741 H HIS 94 H HIS 94 2.942 -2.285 4.847
742 HA HIS 94 HA HIS 94 2.273 -1.533 7.602
743 1HB HIS 94 2HB HIS 94 1.153 -0.593 4.953
744 2HB HIS 94 1HB HIS 94 0.525 -0.093 6.518
745 HD1 HIS 94 HD1 HIS 94 3.722 0.108 4.489
746 HD2 HIS 94 HD2 HIS 94 1.787 2.063 7.605
747 HE1 HIS 94 HE1 HIS 94 5.101 2.152 4.957
748 HE2 HIS 94 HE2 HIS 94 3.793 3.432 6.699
749 H GLY 95 H GLY 95 -0.374 -1.324 7.553
750 1HA GLY 95 2HA GLY 95 -1.826 -3.485 6.450
751 2HA GLY 95 1HA GLY 95 -1.319 -3.868 8.093
752 H PHE 96 H PHE 96 -4.031 -3.579 7.420
753 HA PHE 96 HA PHE 96 -4.736 -1.131 8.846
754 1HB PHE 96 2HB PHE 96 -5.895 -1.888 6.152
755 2HB PHE 96 1HB PHE 96 -6.459 -0.565 7.167
756 HD1 PHE 96 HD1 PHE 96 -5.134 1.444 7.443
757 HD2 PHE 96 HD2 PHE 96 -3.864 -1.714 4.895
758 HE1 PHE 96 HE1 PHE 96 -3.493 2.949 6.403
759 HE2 PHE 96 HE2 PHE 96 -2.220 -0.219 3.852
760 HZ PHE 96 HZ PHE 96 -2.031 2.117 4.603
761 H SER 97 H SER 97 -6.317 -1.459 10.255
762 HA SER 97 HA SER 97 -7.603 -4.049 10.334
763 1HB SER 97 2HB SER 97 -8.618 -3.077 12.462
764 2HB SER 97 1HB SER 97 -6.859 -3.219 12.438
765 HG SER 97 HG SER 97 -6.697 -1.028 12.037
766 H SER 98 H SER 98 -8.278 -1.137 8.826
767 HA SER 98 HA SER 98 -10.987 -1.953 8.281
768 1HB SER 98 2HB SER 98 -11.133 -0.639 10.429
769 2HB SER 98 1HB SER 98 -10.539 0.765 9.540
770 HG SER 98 HG SER 98 -13.019 -0.525 9.427
771 H ARG 99 H ARG 99 -11.814 -1.067 6.403
772 HA ARG 99 HA ARG 99 -9.992 -0.216 4.450
773 1HB ARG 99 2HB ARG 99 -12.999 0.061 4.470
774 2HB ARG 99 1HB ARG 99 -11.970 0.242 3.055
775 1HG ARG 99 2HG ARG 99 -11.290 -2.070 3.211
776 2HG ARG 99 1HG ARG 99 -12.228 -2.265 4.694
777 1HD ARG 99 2HD ARG 99 -13.522 -3.169 2.922
778 2HD ARG 99 1HD ARG 99 -14.262 -1.634 3.377
779 HE ARG 99 HE ARG 99 -12.549 -2.008 1.006
780 1HH1 ARG 99 1HH1 ARG 99 -15.218 -0.445 2.641
781 2HH1 ARG 99 2HH1 ARG 99 -15.732 0.430 1.235
782 1HH2 ARG 99 1HH2 ARG 99 -13.224 -0.884 -0.839
783 2HH2 ARG 99 2HH2 ARG 99 -14.599 0.183 -0.753
784 H ILE 100 H ILE 100 -12.224 1.629 6.477
785 HA ILE 100 HA ILE 100 -11.874 4.118 5.244
786 HB ILE 100 HB ILE 100 -13.637 3.715 6.891
787 1HG1 ILE 100 2HG1 ILE 100 -13.434 5.843 8.143
788 2HG1 ILE 100 1HG1 ILE 100 -11.737 5.931 7.688
789 1HG2 ILE 100 1HG2 ILE 100 -11.434 3.745 8.944
790 2HG2 ILE 100 2HG2 ILE 100 -12.361 2.331 8.446
791 3HG2 ILE 100 3HG2 ILE 100 -13.166 3.665 9.273
792 1HD1 ILE 100 1HD1 ILE 100 -12.376 6.083 5.337
793 2HD1 ILE 100 2HD1 ILE 100 -13.092 7.379 6.294
794 3HD1 ILE 100 3HD1 ILE 100 -14.076 6.003 5.795
795 H ALA 101 H ALA 101 -9.840 2.414 7.548
796 HA ALA 101 HA ALA 101 -8.191 4.642 8.181
797 1HB ALA 101 1HB ALA 101 -7.554 1.691 8.326
798 2HB ALA 101 2HB ALA 101 -8.248 2.670 9.621
799 3HB ALA 101 3HB ALA 101 -6.606 2.990 9.057
800 H LEU 102 H LEU 102 -7.970 2.007 5.813
801 HA LEU 102 HA LEU 102 -5.574 2.875 4.583
802 1HB LEU 102 2HB LEU 102 -6.406 0.665 4.161
803 2HB LEU 102 1HB LEU 102 -7.924 1.289 3.550
804 HG LEU 102 HG LEU 102 -6.778 2.178 1.573
805 1HD1 LEU 102 1HD1 LEU 102 -4.310 0.888 2.725
806 2HD1 LEU 102 2HD1 LEU 102 -4.596 2.622 2.574
807 3HD1 LEU 102 3HD1 LEU 102 -4.448 1.621 1.127
808 1HD2 LEU 102 1HD2 LEU 102 -6.240 0.036 0.525
809 2HD2 LEU 102 2HD2 LEU 102 -7.702 -0.074 1.506
810 3HD2 LEU 102 3HD2 LEU 102 -6.179 -0.727 2.113
811 H GLU 103 H GLU 103 -8.952 3.650 4.073
812 HA GLU 103 HA GLU 103 -8.753 5.249 1.791
813 1HB GLU 103 2HB GLU 103 -10.808 4.347 3.165
814 2HB GLU 103 1HB GLU 103 -10.671 5.877 4.011
815 1HG GLU 103 2HG GLU 103 -11.022 7.098 1.977
816 2HG GLU 103 1HG GLU 103 -11.010 5.605 1.039
817 H ARG 104 H ARG 104 -8.731 6.181 5.231
818 HA ARG 104 HA ARG 104 -8.130 8.917 4.714
819 1HB ARG 104 2HB ARG 104 -7.788 7.335 7.269
820 2HB ARG 104 1HB ARG 104 -7.710 9.086 7.135
821 1HG ARG 104 2HG ARG 104 -10.091 8.840 6.128
822 2HG ARG 104 1HG ARG 104 -10.064 7.272 6.928
823 1HD ARG 104 2HD ARG 104 -11.089 9.026 8.317
824 2HD ARG 104 1HD ARG 104 -9.653 8.328 9.062
825 HE ARG 104 HE ARG 104 -8.640 10.373 8.958
826 1HH1 ARG 104 1HH1 ARG 104 -11.368 10.388 6.755
827 2HH1 ARG 104 2HH1 ARG 104 -11.270 12.092 6.435
828 1HH2 ARG 104 1HH2 ARG 104 -8.518 12.622 8.555
829 2HH2 ARG 104 2HH2 ARG 104 -9.654 13.363 7.456
830 H TYR 105 H TYR 105 -6.221 6.056 5.096
831 HA TYR 105 HA TYR 105 -3.730 7.169 5.707
832 1HB TYR 105 2HB TYR 105 -4.236 4.745 5.721
833 2HB TYR 105 1HB TYR 105 -4.341 4.769 3.966
834 HD1 TYR 105 HD1 TYR 105 -2.043 5.184 6.826
835 HD2 TYR 105 HD2 TYR 105 -2.400 4.600 2.630
836 HE1 TYR 105 HE1 TYR 105 0.363 4.685 6.697
837 HE2 TYR 105 HE2 TYR 105 0.002 4.101 2.487
838 HH TYR 105 HH TYR 105 2.049 4.511 3.738
839 H LEU 106 H LEU 106 -5.144 6.387 2.543
840 HA LEU 106 HA LEU 106 -3.107 7.483 0.963
841 1HB LEU 106 2HB LEU 106 -6.055 7.269 0.350
842 2HB LEU 106 1HB LEU 106 -4.790 7.547 -0.829
843 HG LEU 106 HG LEU 106 -5.108 5.053 0.842
844 1HD1 LEU 106 1HD1 LEU 106 -6.833 5.278 -0.867
845 2HD1 LEU 106 2HD1 LEU 106 -5.708 3.979 -1.259
846 3HD1 LEU 106 3HD1 LEU 106 -5.592 5.528 -2.095
847 1HD2 LEU 106 1HD2 LEU 106 -3.155 5.714 -1.358
848 2HD2 LEU 106 2HD2 LEU 106 -3.341 4.139 -0.586
849 3HD2 LEU 106 3HD2 LEU 106 -2.772 5.519 0.353
850 H ASN 107 H ASN 107 -5.869 8.927 2.540
851 HA ASN 107 HA ASN 107 -5.709 11.441 1.190
852 1HB ASN 107 2HB ASN 107 -7.267 10.356 3.490
853 2HB ASN 107 1HB ASN 107 -7.150 12.102 3.310
854 1HD2 ASN 107 1HD2 ASN 107 -8.429 9.159 1.988
855 2HD2 ASN 107 2HD2 ASN 107 -9.493 9.913 0.846
856 H GLY 108 H GLY 108 -4.358 10.143 4.156
857 1HA GLY 108 2HA GLY 108 -3.464 12.777 5.008
858 2HA GLY 108 1HA GLY 108 -3.248 11.270 5.882
859 H LEU 109 H LEU 109 -2.075 9.829 3.677
860 HA LEU 109 HA LEU 109 0.627 10.743 4.092
861 1HB LEU 109 2HB LEU 109 -0.117 8.337 4.149
862 2HB LEU 109 1HB LEU 109 -0.284 8.425 2.405
863 HG LEU 109 HG LEU 109 2.136 9.007 2.252
864 1HD1 LEU 109 1HD1 LEU 109 2.422 9.941 4.472
865 2HD1 LEU 109 2HD1 LEU 109 3.544 8.604 4.219
866 3HD1 LEU 109 3HD1 LEU 109 2.096 8.368 5.196
867 1HD2 LEU 109 1HD2 LEU 109 2.962 6.749 2.753
868 2HD2 LEU 109 2HD2 LEU 109 1.418 6.719 1.899
869 3HD2 LEU 109 3HD2 LEU 109 1.471 6.411 3.635
870 H PHE 110 H PHE 110 -1.211 9.904 1.138
871 HA PHE 110 HA PHE 110 0.840 11.252 -0.440
872 1HB PHE 110 2HB PHE 110 -1.498 9.557 -1.331
873 2HB PHE 110 1HB PHE 110 -0.211 10.163 -2.367
874 HD1 PHE 110 HD1 PHE 110 -1.349 7.359 -0.726
875 HD2 PHE 110 HD2 PHE 110 2.235 9.560 -1.380
876 HE1 PHE 110 HE1 PHE 110 -0.022 5.337 -0.260
877 HE2 PHE 110 HE2 PHE 110 3.562 7.542 -0.920
878 HZ PHE 110 HZ PHE 110 2.435 5.430 -0.360
879 H GLY 111 H GLY 111 -2.703 11.291 -0.066
880 1HA GLY 111 2HA GLY 111 -2.860 13.709 -1.691
881 2HA GLY 111 1HA GLY 111 -4.219 12.780 -1.076
882 H ASP 112 H ASP 112 -1.418 14.153 0.549
883 HA ASP 112 HA ASP 112 -2.455 14.723 2.953
884 1HB ASP 112 2HB ASP 112 -0.133 14.937 2.646
885 2HB ASP 112 1HB ASP 112 -0.361 16.165 1.408
Start of MODEL 20
1 1H MET 1 1HT MET 1 -10.175 -8.724 12.298
2 2H MET 1 2HT MET 1 -11.708 -9.203 11.751
3 3H MET 1 3HT MET 1 -11.195 -7.598 11.544
4 HA MET 1 HA MET 1 -9.899 -9.958 10.309
5 1HB MET 1 2HB MET 1 -10.929 -9.254 8.211
6 2HB MET 1 1HB MET 1 -12.167 -9.611 9.409
7 1HG MET 1 2HG MET 1 -12.529 -7.265 9.806
8 2HG MET 1 1HG MET 1 -11.181 -6.843 8.750
9 1HE MET 1 1HE MET 1 -14.352 -5.607 6.785
10 2HE MET 1 2HE MET 1 -12.788 -5.143 7.449
11 3HE MET 1 3HE MET 1 -14.103 -5.597 8.531
12 H TYR 2 H TYR 2 -8.747 -9.102 8.258
13 HA TYR 2 HA TYR 2 -7.600 -6.435 8.693
14 1HB TYR 2 2HB TYR 2 -6.217 -8.946 7.743
15 2HB TYR 2 1HB TYR 2 -5.525 -7.341 7.531
16 HD1 TYR 2 HD1 TYR 2 -6.585 -9.836 10.045
17 HD2 TYR 2 HD2 TYR 2 -4.439 -6.238 9.320
18 HE1 TYR 2 HE1 TYR 2 -5.634 -9.959 12.303
19 HE2 TYR 2 HE2 TYR 2 -3.478 -6.351 11.578
20 HH TYR 2 HH TYR 2 -4.099 -7.358 13.771
21 H LEU 3 H LEU 3 -6.302 -6.055 6.386
22 HA LEU 3 HA LEU 3 -8.420 -6.287 4.376
23 1HB LEU 3 2HB LEU 3 -6.015 -4.466 4.509
24 2HB LEU 3 1HB LEU 3 -7.124 -4.537 3.153
25 HG LEU 3 HG LEU 3 -7.785 -3.657 5.962
26 1HD1 LEU 3 1HD1 LEU 3 -6.520 -2.020 4.668
27 2HD1 LEU 3 2HD1 LEU 3 -8.184 -1.489 4.917
28 3HD1 LEU 3 3HD1 LEU 3 -7.691 -2.146 3.355
29 1HD2 LEU 3 1HD2 LEU 3 -10.008 -3.145 5.072
30 2HD2 LEU 3 2HD2 LEU 3 -9.653 -4.871 4.995
31 3HD2 LEU 3 3HD2 LEU 3 -9.560 -3.885 3.535
32 H ARG 4 H ARG 4 -8.229 -7.909 3.023
33 HA ARG 4 HA ARG 4 -5.915 -9.433 2.569
34 1HB ARG 4 2HB ARG 4 -8.218 -9.018 0.651
35 2HB ARG 4 1HB ARG 4 -7.104 -10.375 0.668
36 1HG ARG 4 2HG ARG 4 -7.986 -11.081 2.832
37 2HG ARG 4 1HG ARG 4 -9.101 -9.712 2.821
38 1HD ARG 4 2HD ARG 4 -9.036 -12.018 0.877
39 2HD ARG 4 1HD ARG 4 -10.273 -11.688 2.089
40 HE ARG 4 HE ARG 4 -10.377 -9.463 0.619
41 1HH1 ARG 4 1HH1 ARG 4 -10.328 -12.837 -0.312
42 2HH1 ARG 4 2HH1 ARG 4 -11.202 -12.573 -1.795
43 1HH2 ARG 4 1HH2 ARG 4 -11.507 -9.096 -1.335
44 2HH2 ARG 4 2HH2 ARG 4 -11.852 -10.444 -2.389
45 HA PRO 5 HA PRO 5 -3.482 -7.071 -0.343
46 1HB PRO 5 2HB PRO 5 -3.048 -9.042 -2.270
47 2HB PRO 5 1HB PRO 5 -2.056 -8.793 -0.831
48 1HG PRO 5 2HG PRO 5 -4.251 -10.758 -1.302
49 2HG PRO 5 1HG PRO 5 -2.731 -10.957 -0.409
50 1HD PRO 5 2HD PRO 5 -5.065 -10.615 0.866
51 2HD PRO 5 1HD PRO 5 -3.564 -9.898 1.487
52 H ASP 6 H ASP 6 -6.080 -9.118 -1.490
53 HA ASP 6 HA ASP 6 -6.688 -7.915 -3.936
54 1HB ASP 6 2HB ASP 6 -8.673 -9.057 -1.959
55 2HB ASP 6 1HB ASP 6 -8.869 -8.931 -3.703
56 H GLU 7 H GLU 7 -7.776 -7.170 -0.652
57 HA GLU 7 HA GLU 7 -9.638 -5.159 -1.439
58 1HB GLU 7 2HB GLU 7 -8.365 -5.643 1.261
59 2HB GLU 7 1HB GLU 7 -9.782 -4.649 0.953
60 1HG GLU 7 2HG GLU 7 -9.579 -7.621 0.521
61 2HG GLU 7 1HG GLU 7 -10.390 -6.817 1.863
62 H VAL 8 H VAL 8 -6.305 -5.146 -0.260
63 HA VAL 8 HA VAL 8 -5.989 -2.387 0.075
64 HB VAL 8 HB VAL 8 -3.894 -4.386 -0.804
65 1HG1 VAL 8 1HG1 VAL 8 -2.282 -2.800 0.156
66 2HG1 VAL 8 2HG1 VAL 8 -3.594 -1.665 0.468
67 3HG1 VAL 8 3HG1 VAL 8 -3.174 -2.094 -1.191
68 1HG2 VAL 8 1HG2 VAL 8 -3.316 -4.507 1.584
69 2HG2 VAL 8 2HG2 VAL 8 -4.960 -5.067 1.271
70 3HG2 VAL 8 3HG2 VAL 8 -4.690 -3.466 1.958
71 H ALA 9 H ALA 9 -5.149 -4.403 -2.744
72 HA ALA 9 HA ALA 9 -4.413 -2.307 -4.451
73 1HB ALA 9 1HB ALA 9 -4.690 -3.902 -6.268
74 2HB ALA 9 2HB ALA 9 -5.598 -4.977 -5.205
75 3HB ALA 9 3HB ALA 9 -3.891 -4.662 -4.890
76 H ARG 10 H ARG 10 -7.532 -3.748 -3.753
77 HA ARG 10 HA ARG 10 -9.076 -2.650 -5.794
78 1HB ARG 10 2HB ARG 10 -9.831 -4.395 -4.195
79 2HB ARG 10 1HB ARG 10 -9.902 -3.176 -2.931
80 1HG ARG 10 2HG ARG 10 -12.098 -3.352 -3.600
81 2HG ARG 10 1HG ARG 10 -11.528 -1.955 -4.513
82 1HD ARG 10 2HD ARG 10 -11.747 -4.777 -5.556
83 2HD ARG 10 1HD ARG 10 -12.873 -3.467 -5.894
84 HE ARG 10 HE ARG 10 -10.046 -3.419 -6.749
85 1HH1 ARG 10 1HH1 ARG 10 -13.446 -2.804 -7.323
86 2HH1 ARG 10 2HH1 ARG 10 -13.188 -2.227 -8.950
87 1HH2 ARG 10 1HH2 ARG 10 -9.708 -2.653 -8.869
88 2HH2 ARG 10 2HH2 ARG 10 -11.079 -2.139 -9.813
89 H VAL 11 H VAL 11 -8.410 -1.365 -2.540
90 HA VAL 11 HA VAL 11 -9.934 1.005 -2.908
91 HB VAL 11 HB VAL 11 -7.741 0.423 -0.906
92 1HG1 VAL 11 1HG1 VAL 11 -9.810 2.621 -0.898
93 2HG1 VAL 11 2HG1 VAL 11 -8.084 2.834 -1.185
94 3HG1 VAL 11 3HG1 VAL 11 -8.653 2.281 0.391
95 1HG2 VAL 11 1HG2 VAL 11 -9.608 -1.105 -0.700
96 2HG2 VAL 11 2HG2 VAL 11 -10.747 0.242 -0.713
97 3HG2 VAL 11 3HG2 VAL 11 -9.631 0.043 0.639
98 H LEU 12 H LEU 12 -6.529 0.214 -3.404
99 HA LEU 12 HA LEU 12 -5.558 2.803 -3.827
100 1HB LEU 12 2HB LEU 12 -4.698 0.193 -5.068
101 2HB LEU 12 1HB LEU 12 -3.802 1.693 -5.219
102 HG LEU 12 HG LEU 12 -4.359 0.236 -2.632
103 1HD1 LEU 12 1HD1 LEU 12 -1.970 -0.242 -2.639
104 2HD1 LEU 12 2HD1 LEU 12 -1.813 0.534 -4.215
105 3HD1 LEU 12 3HD1 LEU 12 -2.764 -0.940 -4.050
106 1HD2 LEU 12 1HD2 LEU 12 -2.801 1.846 -1.645
107 2HD2 LEU 12 2HD2 LEU 12 -4.230 2.645 -2.302
108 3HD2 LEU 12 3HD2 LEU 12 -2.703 2.696 -3.186
109 H GLU 13 H GLU 13 -6.949 0.475 -6.127
110 HA GLU 13 HA GLU 13 -6.719 2.029 -8.436
111 1HB GLU 13 2HB GLU 13 -8.791 -0.033 -7.673
112 2HB GLU 13 1HB GLU 13 -8.581 0.617 -9.288
113 1HG GLU 13 2HG GLU 13 -6.280 -0.265 -9.313
114 2HG GLU 13 1HG GLU 13 -6.578 -0.990 -7.733
115 H LYS 14 H LYS 14 -9.210 1.910 -5.951
116 HA LYS 14 HA LYS 14 -11.016 3.672 -7.270
117 1HB LYS 14 2HB LYS 14 -10.842 2.312 -4.674
118 2HB LYS 14 1HB LYS 14 -11.661 3.863 -4.613
119 1HG LYS 14 2HG LYS 14 -13.272 2.119 -4.964
120 2HG LYS 14 1HG LYS 14 -13.159 3.105 -6.424
121 1HD LYS 14 2HD LYS 14 -11.516 1.366 -7.288
122 2HD LYS 14 1HD LYS 14 -12.041 0.354 -5.939
123 1HE LYS 14 2HE LYS 14 -13.336 -0.276 -7.833
124 2HE LYS 14 1HE LYS 14 -14.392 0.646 -6.762
125 1HZ LYS 14 1HZ LYS 14 -14.785 1.456 -8.918
126 2HZ LYS 14 2HZ LYS 14 -13.133 1.538 -9.292
127 3HZ LYS 14 3HZ LYS 14 -13.805 2.632 -8.186
128 H ALA 15 H ALA 15 -8.221 4.111 -5.313
129 HA ALA 15 HA ALA 15 -8.811 6.887 -4.709
130 1HB ALA 15 1HB ALA 15 -6.730 6.872 -3.482
131 2HB ALA 15 2HB ALA 15 -6.311 5.297 -4.160
132 3HB ALA 15 3HB ALA 15 -7.682 5.449 -3.060
133 H GLY 16 H GLY 16 -8.234 5.725 -7.531
134 1HA GLY 16 2HA GLY 16 -7.678 6.997 -9.408
135 2HA GLY 16 1HA GLY 16 -6.909 8.165 -8.353
136 H PHE 17 H PHE 17 -5.755 5.160 -7.552
137 HA PHE 17 HA PHE 17 -3.186 5.812 -8.635
138 1HB PHE 17 2HB PHE 17 -4.253 3.573 -6.958
139 2HB PHE 17 1HB PHE 17 -2.641 3.493 -7.647
140 HD1 PHE 17 HD1 PHE 17 -4.812 5.603 -5.497
141 HD2 PHE 17 HD2 PHE 17 -0.848 4.479 -6.559
142 HE1 PHE 17 HE1 PHE 17 -3.940 6.894 -3.592
143 HE2 PHE 17 HE2 PHE 17 0.034 5.768 -4.659
144 HZ PHE 17 HZ PHE 17 -1.514 6.979 -3.172
145 H THR 18 H THR 18 -1.886 4.424 -9.929
146 HA THR 18 HA THR 18 -3.384 2.593 -11.679
147 HB THR 18 HB THR 18 -1.611 3.306 -13.439
148 HG1 THR 18 HG1 THR 18 -1.658 5.718 -11.918
149 1HG2 THR 18 1HG2 THR 18 -4.008 3.758 -13.648
150 2HG2 THR 18 2HG2 THR 18 -3.053 5.117 -14.238
151 3HG2 THR 18 3HG2 THR 18 -3.827 5.205 -12.657
152 H VAL 19 H VAL 19 -2.158 0.789 -12.490
153 HA VAL 19 HA VAL 19 -0.248 -0.181 -10.591
154 HB VAL 19 HB VAL 19 -1.886 -1.656 -11.762
155 1HG1 VAL 19 1HG1 VAL 19 -0.073 -1.310 -14.145
156 2HG1 VAL 19 2HG1 VAL 19 -1.716 -0.686 -14.001
157 3HG1 VAL 19 3HG1 VAL 19 -1.434 -2.426 -14.023
158 1HG2 VAL 19 1HG2 VAL 19 1.019 -2.393 -12.077
159 2HG2 VAL 19 2HG2 VAL 19 -0.329 -3.529 -12.122
160 3HG2 VAL 19 3HG2 VAL 19 0.019 -2.633 -10.644
161 H ASP 20 H ASP 20 1.921 -0.284 -10.709
162 HA ASP 20 HA ASP 20 3.217 1.045 -12.984
163 1HB ASP 20 2HB ASP 20 3.797 1.936 -10.777
164 2HB ASP 20 1HB ASP 20 4.302 0.334 -10.246
165 H VAL 21 H VAL 21 3.955 -1.661 -10.805
166 HA VAL 21 HA VAL 21 4.898 -3.150 -13.144
167 HB VAL 21 HB VAL 21 6.889 -2.404 -12.045
168 1HG1 VAL 21 1HG1 VAL 21 7.387 -2.861 -9.692
169 2HG1 VAL 21 2HG1 VAL 21 5.769 -3.536 -9.482
170 3HG1 VAL 21 3HG1 VAL 21 5.969 -1.826 -9.869
171 1HG2 VAL 21 1HG2 VAL 21 6.954 -4.687 -12.860
172 2HG2 VAL 21 2HG2 VAL 21 6.346 -5.278 -11.312
173 3HG2 VAL 21 3HG2 VAL 21 7.937 -4.525 -11.405
174 H VAL 22 H VAL 22 3.489 -4.719 -13.415
175 HA VAL 22 HA VAL 22 2.242 -5.971 -11.110
176 HB VAL 22 HB VAL 22 0.751 -5.484 -12.934
177 1HG1 VAL 22 1HG1 VAL 22 2.525 -7.208 -14.659
178 2HG1 VAL 22 2HG1 VAL 22 2.343 -5.457 -14.771
179 3HG1 VAL 22 3HG1 VAL 22 0.980 -6.512 -15.146
180 1HG2 VAL 22 1HG2 VAL 22 -0.222 -7.693 -13.340
181 2HG2 VAL 22 2HG2 VAL 22 0.287 -7.509 -11.662
182 3HG2 VAL 22 3HG2 VAL 22 1.271 -8.451 -12.781
183 H THR 23 H THR 23 3.253 -7.535 -10.114
184 HA THR 23 HA THR 23 4.686 -9.542 -11.718
185 HB THR 23 HB THR 23 6.165 -9.894 -9.701
186 HG1 THR 23 HG1 THR 23 4.671 -7.701 -8.853
187 1HG2 THR 23 1HG2 THR 23 6.336 -7.211 -11.075
188 2HG2 THR 23 2HG2 THR 23 6.966 -8.734 -11.701
189 3HG2 THR 23 3HG2 THR 23 7.657 -8.028 -10.240
190 H ASN 24 H ASN 24 4.803 -11.672 -10.643
191 HA ASN 24 HA ASN 24 2.130 -12.405 -9.985
192 1HB ASN 24 2HB ASN 24 3.784 -13.742 -11.367
193 2HB ASN 24 1HB ASN 24 4.570 -14.175 -9.853
194 1HD2 ASN 24 1HD2 ASN 24 3.679 -15.732 -8.571
195 2HD2 ASN 24 2HD2 ASN 24 2.269 -16.640 -9.019
196 H LYS 25 H LYS 25 4.599 -11.224 -8.074
197 HA LYS 25 HA LYS 25 3.521 -12.577 -5.681
198 1HB LYS 25 2HB LYS 25 5.840 -13.260 -6.145
199 2HB LYS 25 1HB LYS 25 6.340 -11.576 -6.189
200 1HG LYS 25 2HG LYS 25 5.591 -11.410 -3.790
201 2HG LYS 25 1HG LYS 25 5.407 -13.164 -3.812
202 1HD LYS 25 2HD LYS 25 7.967 -11.748 -4.527
203 2HD LYS 25 1HD LYS 25 7.596 -12.319 -2.902
204 1HE LYS 25 2HE LYS 25 7.708 -14.056 -5.366
205 2HE LYS 25 1HE LYS 25 9.010 -13.888 -4.189
206 1HZ LYS 25 1HZ LYS 25 6.343 -15.117 -3.809
207 2HZ LYS 25 2HZ LYS 25 7.299 -14.645 -2.493
208 3HZ LYS 25 3HZ LYS 25 7.868 -15.816 -3.572
209 H THR 26 H THR 26 3.671 -9.725 -7.365
210 HA THR 26 HA THR 26 3.243 -8.066 -5.026
211 HB THR 26 HB THR 26 5.634 -7.683 -6.831
212 HG1 THR 26 HG1 THR 26 5.285 -8.951 -4.460
213 1HG2 THR 26 1HG2 THR 26 6.180 -5.770 -5.416
214 2HG2 THR 26 2HG2 THR 26 4.656 -5.978 -4.553
215 3HG2 THR 26 3HG2 THR 26 4.649 -5.546 -6.263
216 H TYR 27 H TYR 27 1.806 -6.484 -5.510
217 HA TYR 27 HA TYR 27 1.497 -5.722 -8.332
218 1HB TYR 27 2HB TYR 27 -0.312 -5.393 -5.950
219 2HB TYR 27 1HB TYR 27 -0.548 -4.454 -7.413
220 HD1 TYR 27 HD1 TYR 27 -0.534 -5.983 -9.632
221 HD2 TYR 27 HD2 TYR 27 -1.568 -7.298 -5.718
222 HE1 TYR 27 HE1 TYR 27 -1.867 -7.808 -10.603
223 HE2 TYR 27 HE2 TYR 27 -2.898 -9.127 -6.679
224 HH TYR 27 HH TYR 27 -4.014 -9.725 -8.710
225 H GLY 28 H GLY 28 3.089 -4.264 -8.719
226 1HA GLY 28 2HA GLY 28 3.756 -2.149 -6.908
227 2HA GLY 28 1HA GLY 28 4.244 -2.273 -8.597
228 H TYR 29 H TYR 29 2.734 -0.282 -6.607
229 HA TYR 29 HA TYR 29 0.716 0.526 -8.588
230 1HB TYR 29 2HB TYR 29 0.399 -0.286 -5.801
231 2HB TYR 29 1HB TYR 29 -0.353 1.260 -6.152
232 HD1 TYR 29 HD1 TYR 29 -0.518 -2.318 -6.569
233 HD2 TYR 29 HD2 TYR 29 -2.096 1.375 -7.978
234 HE1 TYR 29 HE1 TYR 29 -2.396 -3.520 -7.602
235 HE2 TYR 29 HE2 TYR 29 -3.982 0.180 -9.008
236 HH TYR 29 HH TYR 29 -4.776 -2.974 -8.298
237 H ARG 30 H ARG 30 0.453 2.740 -8.890
238 HA ARG 30 HA ARG 30 2.134 4.515 -7.287
239 1HB ARG 30 2HB ARG 30 3.232 5.432 -9.295
240 2HB ARG 30 1HB ARG 30 3.650 3.750 -9.002
241 1HG ARG 30 2HG ARG 30 2.359 2.993 -10.797
242 2HG ARG 30 1HG ARG 30 1.453 4.505 -10.894
243 1HD ARG 30 2HD ARG 30 3.066 5.558 -12.078
244 2HD ARG 30 1HD ARG 30 4.375 4.708 -11.260
245 HE ARG 30 HE ARG 30 4.375 3.154 -12.927
246 1HH1 ARG 30 1HH1 ARG 30 1.299 4.855 -13.062
247 2HH1 ARG 30 2HH1 ARG 30 0.854 4.187 -14.601
248 1HH2 ARG 30 1HH2 ARG 30 3.775 2.277 -14.947
249 2HH2 ARG 30 2HH2 ARG 30 2.257 2.713 -15.670
250 H ARG 31 H ARG 31 1.715 6.680 -7.470
251 HA ARG 31 HA ARG 31 0.257 7.729 -9.696
252 1HB ARG 31 2HB ARG 31 -1.642 7.174 -8.221
253 2HB ARG 31 1HB ARG 31 -0.913 8.122 -6.928
254 1HG ARG 31 2HG ARG 31 -1.386 10.127 -7.940
255 2HG ARG 31 1HG ARG 31 -1.429 9.425 -9.556
256 1HD ARG 31 2HD ARG 31 -3.663 10.010 -8.973
257 2HD ARG 31 1HD ARG 31 -3.535 8.258 -8.905
258 HE ARG 31 HE ARG 31 -3.506 8.433 -6.492
259 1HH1 ARG 31 1HH1 ARG 31 -4.358 11.372 -8.197
260 2HH1 ARG 31 2HH1 ARG 31 -5.409 11.945 -6.936
261 1HH2 ARG 31 1HH2 ARG 31 -4.895 9.200 -4.829
262 2HH2 ARG 31 2HH2 ARG 31 -5.732 10.709 -5.038
263 H GLY 32 H GLY 32 1.759 9.142 -10.258
264 1HA GLY 32 2HA GLY 32 3.086 11.041 -10.107
265 2HA GLY 32 1HA GLY 32 2.613 11.203 -8.421
266 H GLU 33 H GLU 33 4.569 11.375 -7.422
267 HA GLU 33 HA GLU 33 6.675 9.457 -8.029
268 1HB GLU 33 2HB GLU 33 7.131 11.896 -7.571
269 2HB GLU 33 1HB GLU 33 6.648 11.614 -5.905
270 1HG GLU 33 2HG GLU 33 8.481 10.108 -5.564
271 2HG GLU 33 1HG GLU 33 8.912 10.175 -7.272
272 H ASN 34 H ASN 34 3.930 9.221 -6.445
273 HA ASN 34 HA ASN 34 4.890 7.969 -4.006
274 1HB ASN 34 2HB ASN 34 2.098 8.468 -5.061
275 2HB ASN 34 1HB ASN 34 2.437 7.639 -3.546
276 1HD2 ASN 34 1HD2 ASN 34 1.026 10.160 -4.121
277 2HD2 ASN 34 2HD2 ASN 34 1.817 11.359 -3.161
278 H TYR 35 H TYR 35 5.820 6.075 -4.466
279 HA TYR 35 HA TYR 35 4.320 4.138 -6.089
280 1HB TYR 35 2HB TYR 35 7.235 4.097 -5.266
281 2HB TYR 35 1HB TYR 35 6.443 2.904 -6.285
282 HD1 TYR 35 HD1 TYR 35 4.851 4.707 -8.044
283 HD2 TYR 35 HD2 TYR 35 8.869 4.995 -6.681
284 HE1 TYR 35 HE1 TYR 35 5.429 6.004 -10.043
285 HE2 TYR 35 HE2 TYR 35 9.456 6.304 -8.683
286 HH TYR 35 HH TYR 35 8.457 6.467 -11.122
287 H VAL 36 H VAL 36 3.373 2.479 -5.103
288 HA VAL 36 HA VAL 36 4.451 1.549 -2.527
289 HB VAL 36 HB VAL 36 2.247 1.123 -1.648
290 1HG1 VAL 36 1HG1 VAL 36 1.399 3.421 -1.398
291 2HG1 VAL 36 2HG1 VAL 36 2.473 3.937 -2.697
292 3HG1 VAL 36 3HG1 VAL 36 3.148 3.317 -1.191
293 1HG2 VAL 36 1HG2 VAL 36 0.206 1.770 -2.776
294 2HG2 VAL 36 2HG2 VAL 36 1.106 0.620 -3.764
295 3HG2 VAL 36 3HG2 VAL 36 1.126 2.336 -4.171
296 H TYR 37 H TYR 37 3.816 -0.731 -2.061
297 HA TYR 37 HA TYR 37 3.278 -2.255 -4.521
298 1HB TYR 37 2HB TYR 37 5.406 -2.889 -2.467
299 2HB TYR 37 1HB TYR 37 4.986 -3.896 -3.847
300 HD1 TYR 37 HD1 TYR 37 6.801 -0.964 -2.710
301 HD2 TYR 37 HD2 TYR 37 5.528 -3.136 -6.141
302 HE1 TYR 37 HE1 TYR 37 8.439 0.249 -4.082
303 HE2 TYR 37 HE2 TYR 37 7.167 -1.927 -7.518
304 HH TYR 37 HH TYR 37 8.375 0.276 -7.436
305 H VAL 38 H VAL 38 1.641 -3.609 -4.265
306 HA VAL 38 HA VAL 38 0.733 -4.289 -1.584
307 HB VAL 38 HB VAL 38 -0.456 -5.170 -4.216
308 1HG1 VAL 38 1HG1 VAL 38 -1.119 -6.542 -2.326
309 2HG1 VAL 38 2HG1 VAL 38 -2.473 -5.571 -2.901
310 3HG1 VAL 38 3HG1 VAL 38 -1.610 -5.099 -1.437
311 1HG2 VAL 38 1HG2 VAL 38 -0.439 -2.740 -4.092
312 2HG2 VAL 38 2HG2 VAL 38 -1.200 -2.807 -2.502
313 3HG2 VAL 38 3HG2 VAL 38 -2.079 -3.364 -3.927
314 H ASN 39 H ASN 39 1.529 -5.971 -0.579
315 HA ASN 39 HA ASN 39 3.060 -7.986 -1.951
316 1HB ASN 39 2HB ASN 39 3.623 -7.067 0.325
317 2HB ASN 39 1HB ASN 39 2.221 -7.923 0.956
318 1HD2 ASN 39 1HD2 ASN 39 5.428 -8.213 -0.327
319 2HD2 ASN 39 2HD2 ASN 39 5.673 -9.879 0.110
320 H ARG 40 H ARG 40 2.157 -9.671 -2.935
321 HA ARG 40 HA ARG 40 -0.631 -10.257 -2.541
322 1HB ARG 40 2HB ARG 40 1.419 -11.648 -4.269
323 2HB ARG 40 1HB ARG 40 -0.316 -11.906 -4.336
324 1HG ARG 40 2HG ARG 40 -0.622 -9.562 -5.003
325 2HG ARG 40 1HG ARG 40 1.129 -9.349 -4.987
326 1HD ARG 40 2HD ARG 40 0.440 -9.738 -7.246
327 2HD ARG 40 1HD ARG 40 1.302 -11.166 -6.676
328 HE ARG 40 HE ARG 40 -1.400 -11.601 -6.192
329 1HH1 ARG 40 1HH1 ARG 40 0.683 -11.118 -8.980
330 2HH1 ARG 40 2HH1 ARG 40 -0.308 -12.080 -10.036
331 1HH2 ARG 40 1HH2 ARG 40 -2.700 -12.832 -7.579
332 2HH2 ARG 40 2HH2 ARG 40 -2.254 -13.018 -9.249
333 H GLU 41 H GLU 41 2.199 -11.307 -1.075
334 HA GLU 41 HA GLU 41 1.206 -13.989 -0.512
335 1HB GLU 41 2HB GLU 41 3.828 -12.641 0.165
336 2HB GLU 41 1HB GLU 41 3.424 -14.300 0.585
337 1HG GLU 41 2HG GLU 41 3.496 -13.248 -2.233
338 2HG GLU 41 1HG GLU 41 4.845 -14.062 -1.441
339 H ALA 42 H ALA 42 0.028 -11.450 0.561
340 HA ALA 42 HA ALA 42 0.502 -11.437 3.375
341 1HB ALA 42 1HB ALA 42 -1.558 -10.089 3.484
342 2HB ALA 42 2HB ALA 42 -1.840 -10.414 1.774
343 3HB ALA 42 3HB ALA 42 -0.425 -9.489 2.273
344 H ARG 43 H ARG 43 0.345 -13.537 4.105
345 HA ARG 43 HA ARG 43 -1.818 -15.259 3.424
346 1HB ARG 43 2HB ARG 43 0.208 -15.461 5.657
347 2HB ARG 43 1HB ARG 43 -0.871 -16.751 5.147
348 1HG ARG 43 2HG ARG 43 1.282 -15.484 3.467
349 2HG ARG 43 1HG ARG 43 1.371 -17.058 4.257
350 1HD ARG 43 2HD ARG 43 -0.616 -16.269 2.129
351 2HD ARG 43 1HD ARG 43 0.830 -17.240 1.866
352 HE ARG 43 HE ARG 43 -1.218 -18.182 3.759
353 1HH1 ARG 43 1HH1 ARG 43 0.507 -18.547 0.726
354 2HH1 ARG 43 2HH1 ARG 43 -0.041 -20.179 0.463
355 1HH2 ARG 43 1HH2 ARG 43 -1.984 -20.307 3.380
356 2HH2 ARG 43 2HH2 ARG 43 -1.474 -21.164 1.957
357 H MET 44 H MET 44 -1.238 -12.952 5.954
358 HA MET 44 HA MET 44 -3.823 -13.696 7.154
359 1HB MET 44 2HB MET 44 -1.323 -12.743 8.561
360 2HB MET 44 1HB MET 44 -2.893 -12.903 9.338
361 1HG MET 44 2HG MET 44 -2.898 -15.278 8.932
362 2HG MET 44 1HG MET 44 -1.388 -15.158 8.032
363 1HE MET 44 1HE MET 44 -0.307 -17.059 11.276
364 2HE MET 44 2HE MET 44 -0.332 -17.080 9.512
365 3HE MET 44 3HE MET 44 -1.839 -17.217 10.417
366 H GLY 45 H GLY 45 -2.504 -11.487 5.267
367 1HA GLY 45 2HA GLY 45 -3.125 -9.354 4.678
368 2HA GLY 45 1HA GLY 45 -4.445 -9.498 5.826
369 H ARG 46 H ARG 46 -1.372 -10.037 7.183
370 HA ARG 46 HA ARG 46 -1.558 -7.557 8.662
371 1HB ARG 46 2HB ARG 46 0.307 -9.925 8.894
372 2HB ARG 46 1HB ARG 46 0.303 -8.547 9.975
373 1HG ARG 46 2HG ARG 46 -2.007 -9.070 10.606
374 2HG ARG 46 1HG ARG 46 -1.945 -10.497 9.571
375 1HD ARG 46 2HD ARG 46 -1.519 -11.199 11.814
376 2HD ARG 46 1HD ARG 46 -0.004 -11.294 10.918
377 HE ARG 46 HE ARG 46 -0.122 -8.783 12.145
378 1HH1 ARG 46 1HH1 ARG 46 0.086 -12.158 13.071
379 2HH1 ARG 46 2HH1 ARG 46 0.956 -11.839 14.541
380 1HH2 ARG 46 1HH2 ARG 46 1.003 -8.353 14.096
381 2HH2 ARG 46 2HH2 ARG 46 1.465 -9.673 15.132
382 H THR 47 H THR 47 -0.002 -8.711 5.917
383 HA THR 47 HA THR 47 1.838 -6.496 5.854
384 HB THR 47 HB THR 47 3.742 -7.911 5.158
385 HG1 THR 47 HG1 THR 47 2.920 -10.291 6.138
386 1HG2 THR 47 1HG2 THR 47 2.599 -8.646 7.856
387 2HG2 THR 47 2HG2 THR 47 3.656 -7.280 7.491
388 3HG2 THR 47 3HG2 THR 47 4.269 -8.928 7.358
389 H ALA 48 H ALA 48 0.891 -5.614 4.161
390 HA ALA 48 HA ALA 48 0.806 -6.976 1.614
391 1HB ALA 48 1HB ALA 48 -1.228 -7.809 2.705
392 2HB ALA 48 2HB ALA 48 -1.612 -6.784 1.324
393 3HB ALA 48 3HB ALA 48 -1.769 -6.151 2.964
394 H LEU 49 H LEU 49 0.041 -4.102 3.545
395 HA LEU 49 HA LEU 49 0.282 -2.534 1.087
396 1HB LEU 49 2HB LEU 49 -1.558 -1.874 2.572
397 2HB LEU 49 1HB LEU 49 -0.408 -1.576 3.866
398 HG LEU 49 HG LEU 49 0.658 0.186 2.468
399 1HD1 LEU 49 1HD1 LEU 49 0.039 -0.633 0.276
400 2HD1 LEU 49 2HD1 LEU 49 -0.530 1.022 0.501
401 3HD1 LEU 49 3HD1 LEU 49 -1.664 -0.326 0.618
402 1HD2 LEU 49 1HD2 LEU 49 -1.035 0.750 4.146
403 2HD2 LEU 49 2HD2 LEU 49 -2.292 0.589 2.918
404 3HD2 LEU 49 3HD2 LEU 49 -1.071 1.853 2.770
405 H ILE 50 H ILE 50 2.406 -2.810 0.671
406 HA ILE 50 HA ILE 50 4.286 -1.743 2.654
407 HB ILE 50 HB ILE 50 4.814 -3.416 0.190
408 1HG1 ILE 50 2HG1 ILE 50 4.997 -4.154 3.121
409 2HG1 ILE 50 1HG1 ILE 50 3.625 -4.549 2.092
410 1HG2 ILE 50 1HG2 ILE 50 6.663 -2.431 2.359
411 2HG2 ILE 50 2HG2 ILE 50 6.683 -1.961 0.659
412 3HG2 ILE 50 3HG2 ILE 50 7.094 -3.613 1.122
413 1HD1 ILE 50 1HD1 ILE 50 6.449 -5.512 1.735
414 2HD1 ILE 50 2HD1 ILE 50 5.091 -5.892 0.674
415 3HD1 ILE 50 3HD1 ILE 50 5.085 -6.449 2.348
416 H ILE 51 H ILE 51 4.348 0.385 2.376
417 HA ILE 51 HA ILE 51 3.657 1.549 -0.130
418 HB ILE 51 HB ILE 51 4.038 3.745 1.063
419 1HG1 ILE 51 2HG1 ILE 51 4.290 2.010 3.531
420 2HG1 ILE 51 1HG1 ILE 51 5.668 2.776 2.746
421 1HG2 ILE 51 1HG2 ILE 51 1.842 2.700 0.886
422 2HG2 ILE 51 2HG2 ILE 51 2.029 3.520 2.437
423 3HG2 ILE 51 3HG2 ILE 51 2.161 1.763 2.347
424 1HD1 ILE 51 1HD1 ILE 51 4.871 4.047 4.675
425 2HD1 ILE 51 2HD1 ILE 51 3.296 4.226 3.901
426 3HD1 ILE 51 3HD1 ILE 51 4.725 4.966 3.176
427 H HIS 52 H HIS 52 6.269 2.930 1.733
428 HA HIS 52 HA HIS 52 8.378 2.430 -0.068
429 1HB HIS 52 2HB HIS 52 6.960 3.771 -1.590
430 2HB HIS 52 1HB HIS 52 6.867 5.050 -0.390
431 HD1 HIS 52 HD1 HIS 52 9.097 6.402 0.044
432 HD2 HIS 52 HD2 HIS 52 9.161 3.861 -3.244
433 HE1 HIS 52 HE1 HIS 52 11.058 7.145 -1.333
434 HE2 HIS 52 HE2 HIS 52 10.980 5.700 -3.401
435 HA PRO 53 HA PRO 53 10.381 4.276 3.539
436 1HB PRO 53 2HB PRO 53 12.549 4.940 1.622
437 2HB PRO 53 1HB PRO 53 12.623 4.029 3.136
438 1HG PRO 53 2HG PRO 53 12.802 2.798 0.774
439 2HG PRO 53 1HG PRO 53 11.949 2.058 2.137
440 1HD PRO 53 2HD PRO 53 10.846 3.433 -0.276
441 2HD PRO 53 1HD PRO 53 10.249 1.990 0.571
442 H ARG 54 H ARG 54 12.049 6.483 3.485
443 HA ARG 54 HA ARG 54 12.091 8.769 3.334
444 1HB ARG 54 2HB ARG 54 11.759 8.559 0.910
445 2HB ARG 54 1HB ARG 54 10.022 8.440 1.152
446 1HG ARG 54 2HG ARG 54 10.390 10.761 2.359
447 2HG ARG 54 1HG ARG 54 11.806 10.804 1.309
448 1HD ARG 54 2HD ARG 54 10.221 10.256 -0.598
449 2HD ARG 54 1HD ARG 54 8.910 10.604 0.523
450 HE ARG 54 HE ARG 54 10.879 12.533 -0.503
451 1HH1 ARG 54 1HH1 ARG 54 7.912 11.877 1.244
452 2HH1 ARG 54 2HH1 ARG 54 7.377 13.529 1.213
453 1HH2 ARG 54 1HH2 ARG 54 10.180 14.697 -0.546
454 2HH2 ARG 54 2HH2 ARG 54 8.665 15.128 0.184
455 H LEU 55 H LEU 55 8.818 7.472 3.013
456 HA LEU 55 HA LEU 55 7.675 9.615 4.594
457 1HB LEU 55 2HB LEU 55 6.591 7.299 3.037
458 2HB LEU 55 1HB LEU 55 5.568 8.148 4.183
459 HG LEU 55 HG LEU 55 6.994 9.501 1.895
460 1HD1 LEU 55 1HD1 LEU 55 5.351 7.862 1.076
461 2HD1 LEU 55 2HD1 LEU 55 4.844 9.521 0.765
462 3HD1 LEU 55 3HD1 LEU 55 4.115 8.610 2.087
463 1HD2 LEU 55 1HD2 LEU 55 4.853 10.357 3.835
464 2HD2 LEU 55 2HD2 LEU 55 5.333 11.282 2.407
465 3HD2 LEU 55 3HD2 LEU 55 6.494 10.992 3.702
466 H LYS 56 H LYS 56 9.458 7.301 5.634
467 HA LYS 56 HA LYS 56 7.957 5.602 7.255
468 1HB LYS 56 2HB LYS 56 10.346 5.279 6.775
469 2HB LYS 56 1HB LYS 56 10.735 6.689 7.750
470 1HG LYS 56 2HG LYS 56 9.965 5.576 9.744
471 2HG LYS 56 1HG LYS 56 9.405 4.198 8.798
472 1HD LYS 56 2HD LYS 56 11.667 3.665 8.144
473 2HD LYS 56 1HD LYS 56 12.275 5.114 8.944
474 1HE LYS 56 2HE LYS 56 10.806 2.934 10.402
475 2HE LYS 56 1HE LYS 56 12.555 2.934 10.194
476 1HZ LYS 56 1HZ LYS 56 12.710 4.991 11.386
477 2HZ LYS 56 2HZ LYS 56 11.829 3.889 12.323
478 3HZ LYS 56 3HZ LYS 56 11.022 5.124 11.495
479 H ASP 57 H ASP 57 9.295 8.809 7.957
480 HA ASP 57 HA ASP 57 8.551 8.879 10.681
481 1HB ASP 57 2HB ASP 57 9.023 11.151 8.737
482 2HB ASP 57 1HB ASP 57 8.858 11.342 10.479
483 H ARG 58 H ARG 58 7.014 10.362 7.830
484 HA ARG 58 HA ARG 58 4.771 11.364 9.190
485 1HB ARG 58 2HB ARG 58 5.054 12.321 7.105
486 2HB ARG 58 1HB ARG 58 5.388 10.781 6.324
487 1HG ARG 58 2HG ARG 58 3.086 10.180 6.362
488 2HG ARG 58 1HG ARG 58 2.668 11.561 7.355
489 1HD ARG 58 2HD ARG 58 3.794 11.718 4.564
490 2HD ARG 58 1HD ARG 58 2.083 11.839 4.963
491 HE ARG 58 HE ARG 58 3.520 13.749 6.451
492 1HH1 ARG 58 1HH1 ARG 58 2.490 13.071 3.173
493 2HH1 ARG 58 2HH1 ARG 58 2.497 14.744 2.685
494 1HH2 ARG 58 1HH2 ARG 58 3.508 15.931 5.836
495 2HH2 ARG 58 2HH2 ARG 58 3.065 16.377 4.216
496 H SER 59 H SER 59 5.181 8.331 7.377
497 HA SER 59 HA SER 59 2.547 7.435 7.677
498 1HB SER 59 2HB SER 59 3.860 6.352 6.044
499 2HB SER 59 1HB SER 59 5.137 5.975 7.196
500 HG SER 59 HG SER 59 2.876 4.898 8.097
501 H SER 60 H SER 60 5.364 7.080 9.767
502 HA SER 60 HA SER 60 4.331 5.196 11.560
503 1HB SER 60 2HB SER 60 6.718 5.892 11.456
504 2HB SER 60 1HB SER 60 6.275 7.441 12.169
505 HG SER 60 HG SER 60 5.273 5.840 13.841
506 H SER 61 H SER 61 3.430 8.454 11.060
507 HA SER 61 HA SER 61 2.298 8.705 13.751
508 1HB SER 61 2HB SER 61 2.443 10.780 11.551
509 2HB SER 61 1HB SER 61 2.022 11.057 13.242
510 HG SER 61 HG SER 61 4.446 9.800 12.790
511 H LEU 62 H LEU 62 1.335 7.307 11.013
512 HA LEU 62 HA LEU 62 -1.469 8.045 11.446
513 1HB LEU 62 2HB LEU 62 -0.115 7.847 8.754
514 2HB LEU 62 1HB LEU 62 -1.849 7.921 8.982
515 HG LEU 62 HG LEU 62 0.049 10.092 9.870
516 1HD1 LEU 62 1HD1 LEU 62 0.110 9.895 7.451
517 2HD1 LEU 62 2HD1 LEU 62 -0.782 11.339 7.927
518 3HD1 LEU 62 3HD1 LEU 62 -1.652 9.903 7.387
519 1HD2 LEU 62 1HD2 LEU 62 -2.004 11.418 10.032
520 2HD2 LEU 62 2HD2 LEU 62 -2.047 10.017 11.103
521 3HD2 LEU 62 3HD2 LEU 62 -2.951 9.997 9.587
522 H ALA 63 H ALA 63 0.112 5.958 9.072
523 HA ALA 63 HA ALA 63 -1.804 3.871 9.684
524 1HB ALA 63 1HB ALA 63 -0.983 2.800 7.667
525 2HB ALA 63 2HB ALA 63 0.334 3.969 7.559
526 3HB ALA 63 3HB ALA 63 -1.335 4.501 7.352
527 H ASP 64 H ASP 64 -1.408 2.174 10.904
528 HA ASP 64 HA ASP 64 1.021 1.984 12.364
529 1HB ASP 64 2HB ASP 64 -1.297 0.049 12.185
530 2HB ASP 64 1HB ASP 64 0.012 -0.053 13.356
531 HA PRO 65 HA PRO 65 3.109 -0.916 9.641
532 1HB PRO 65 2HB PRO 65 5.340 -0.794 11.448
533 2HB PRO 65 1HB PRO 65 5.198 -0.060 9.851
534 1HG PRO 65 2HG PRO 65 5.335 1.359 12.206
535 2HG PRO 65 1HG PRO 65 4.621 1.974 10.704
536 1HD PRO 65 2HD PRO 65 3.273 0.829 13.117
537 2HD PRO 65 1HD PRO 65 2.782 2.192 12.088
538 H ALA 66 H ALA 66 2.964 -3.071 9.771
539 HA ALA 66 HA ALA 66 2.187 -4.332 12.222
540 1HB ALA 66 1HB ALA 66 1.303 -5.057 10.059
541 2HB ALA 66 2HB ALA 66 2.109 -6.380 10.900
542 3HB ALA 66 3HB ALA 66 2.920 -5.561 9.565
543 H SER 67 H SER 67 5.004 -4.567 10.110
544 HA SER 67 HA SER 67 6.515 -5.858 12.249
545 1HB SER 67 2HB SER 67 6.332 -7.060 10.080
546 2HB SER 67 1HB SER 67 7.171 -5.717 9.315
547 HG SER 67 HG SER 67 8.965 -6.179 10.736
548 H ASP 68 H ASP 68 8.354 -4.586 9.916
549 HA ASP 68 HA ASP 68 8.602 -1.903 10.863
550 1HB ASP 68 2HB ASP 68 11.045 -2.225 11.134
551 2HB ASP 68 1HB ASP 68 10.116 -3.020 12.364
552 H ILE 69 H ILE 69 10.236 -4.389 8.978
553 HA ILE 69 HA ILE 69 9.700 -2.964 6.511
554 HB ILE 69 HB ILE 69 12.200 -3.484 5.871
555 1HG1 ILE 69 2HG1 ILE 69 12.466 -2.880 8.793
556 2HG1 ILE 69 1HG1 ILE 69 12.577 -4.509 8.171
557 1HG2 ILE 69 1HG2 ILE 69 11.192 -1.278 5.791
558 2HG2 ILE 69 2HG2 ILE 69 12.814 -1.187 6.478
559 3HG2 ILE 69 3HG2 ILE 69 11.402 -1.100 7.533
560 1HD1 ILE 69 1HD1 ILE 69 14.507 -3.836 6.809
561 2HD1 ILE 69 2HD1 ILE 69 14.781 -3.566 8.530
562 3HD1 ILE 69 3HD1 ILE 69 14.391 -2.206 7.476
563 H LYS 70 H LYS 70 9.552 -4.325 4.824
564 HA LYS 70 HA LYS 70 10.076 -7.184 5.316
565 1HB LYS 70 2HB LYS 70 7.619 -6.630 5.344
566 2HB LYS 70 1HB LYS 70 7.771 -6.089 3.677
567 1HG LYS 70 2HG LYS 70 8.361 -8.306 2.954
568 2HG LYS 70 1HG LYS 70 8.410 -8.876 4.619
569 1HD LYS 70 2HD LYS 70 5.980 -8.310 4.807
570 2HD LYS 70 1HD LYS 70 5.984 -7.949 3.078
571 1HE LYS 70 2HE LYS 70 6.729 -10.248 2.617
572 2HE LYS 70 1HE LYS 70 6.690 -10.598 4.344
573 1HZ LYS 70 1HZ LYS 70 4.373 -9.955 2.598
574 2HZ LYS 70 2HZ LYS 70 4.274 -10.072 4.283
575 3HZ LYS 70 3HZ LYS 70 4.703 -11.430 3.366
576 H THR 71 H THR 71 11.493 -8.009 3.933
577 HA THR 71 HA THR 71 12.264 -6.325 1.687
578 HB THR 71 HB THR 71 14.306 -7.733 1.601
579 HG1 THR 71 HG1 THR 71 14.663 -9.174 3.350
580 1HG2 THR 71 1HG2 THR 71 13.653 -6.521 4.289
581 2HG2 THR 71 2HG2 THR 71 14.272 -5.658 2.881
582 3HG2 THR 71 3HG2 THR 71 15.273 -6.866 3.687
583 H CYS 72 H CYS 72 12.613 -7.066 -0.349
584 HA CYS 72 HA CYS 72 12.042 -9.595 -1.399
585 1HB CYS 72 2HB CYS 72 9.729 -9.147 -0.660
586 2HB CYS 72 1HB CYS 72 9.734 -7.631 -1.550
587 HG CYS 72 HG CYS 72 10.340 -10.465 -3.298
588 H ASP 73 H ASP 73 12.731 -9.584 -3.515
589 HA ASP 73 HA ASP 73 14.428 -7.416 -4.114
590 1HB ASP 73 2HB ASP 73 13.683 -9.864 -5.698
591 2HB ASP 73 1HB ASP 73 14.862 -8.684 -6.265
592 H HIS 74 H HIS 74 11.177 -7.507 -4.654
593 HA HIS 74 HA HIS 74 11.195 -6.160 -7.208
594 1HB HIS 74 2HB HIS 74 9.000 -6.739 -5.222
595 2HB HIS 74 1HB HIS 74 8.733 -5.817 -6.697
596 HD1 HIS 74 HD1 HIS 74 7.405 -8.610 -6.010
597 HD2 HIS 74 HD2 HIS 74 10.675 -7.994 -8.504
598 HE1 HIS 74 HE1 HIS 74 7.426 -10.565 -7.594
599 HE2 HIS 74 HE2 HIS 74 9.558 -10.294 -8.913
600 H TYR 75 H TYR 75 11.548 -5.219 -3.922
601 HA TYR 75 HA TYR 75 10.435 -2.553 -4.407
602 1HB TYR 75 2HB TYR 75 11.560 -3.525 -1.786
603 2HB TYR 75 1HB TYR 75 10.407 -2.228 -2.059
604 HD1 TYR 75 HD1 TYR 75 8.549 -3.766 -3.936
605 HD2 TYR 75 HD2 TYR 75 10.345 -4.803 -0.222
606 HE1 TYR 75 HE1 TYR 75 6.713 -5.337 -3.488
607 HE2 TYR 75 HE2 TYR 75 8.513 -6.376 0.236
608 HH TYR 75 HH TYR 75 6.306 -7.348 -2.152
609 H GLN 76 H GLN 76 12.282 -2.025 -5.887
610 HA GLN 76 HA GLN 76 14.847 -1.585 -4.556
611 1HB GLN 76 2HB GLN 76 15.102 -2.374 -6.768
612 2HB GLN 76 1HB GLN 76 13.923 -1.234 -7.406
613 1HG GLN 76 2HG GLN 76 15.393 0.564 -7.234
614 2HG GLN 76 1HG GLN 76 16.474 -0.300 -6.151
615 1HE2 GLN 76 1HE2 GLN 76 18.282 0.005 -7.393
616 2HE2 GLN 76 2HE2 GLN 76 18.516 -0.768 -8.933
617 H ASN 77 H ASN 77 12.898 0.461 -6.693
618 HA ASN 77 HA ASN 77 12.401 2.650 -6.724
619 1HB ASN 77 2HB ASN 77 12.650 2.325 -3.739
620 2HB ASN 77 1HB ASN 77 12.163 3.837 -4.493
621 1HD2 ASN 77 1HD2 ASN 77 11.275 0.546 -3.834
622 2HD2 ASN 77 2HD2 ASN 77 9.603 0.713 -4.235
623 H PHE 78 H PHE 78 14.739 2.681 -4.040
624 HA PHE 78 HA PHE 78 16.648 4.188 -5.533
625 1HB PHE 78 2HB PHE 78 14.871 5.879 -5.179
626 2HB PHE 78 1HB PHE 78 15.048 5.667 -3.444
627 HD1 PHE 78 HD1 PHE 78 16.802 6.731 -2.246
628 HD2 PHE 78 HD2 PHE 78 16.698 6.889 -6.499
629 HE1 PHE 78 HE1 PHE 78 18.534 8.478 -2.222
630 HE2 PHE 78 HE2 PHE 78 18.432 8.632 -6.481
631 HZ PHE 78 HZ PHE 78 19.350 9.430 -4.340
632 HA PRO 79 HA PRO 79 18.052 3.987 -0.918
633 1HB PRO 79 2HB PRO 79 16.113 2.172 0.359
634 2HB PRO 79 1HB PRO 79 16.746 3.723 0.923
635 1HG PRO 79 2HG PRO 79 14.239 3.530 0.054
636 2HG PRO 79 1HG PRO 79 15.225 4.948 -0.336
637 1HD PRO 79 2HD PRO 79 14.628 2.547 -2.034
638 2HD PRO 79 1HD PRO 79 14.530 4.270 -2.458
639 H LEU 80 H LEU 80 16.369 0.872 -0.851
640 HA LEU 80 HA LEU 80 17.095 -1.300 -0.949
641 1HB LEU 80 2HB LEU 80 18.487 -0.010 -2.991
642 2HB LEU 80 1HB LEU 80 19.730 -0.843 -2.083
643 HG LEU 80 HG LEU 80 17.309 -2.147 -3.308
644 1HD1 LEU 80 1HD1 LEU 80 18.920 -3.129 -4.861
645 2HD1 LEU 80 2HD1 LEU 80 20.215 -2.189 -4.118
646 3HD1 LEU 80 3HD1 LEU 80 18.910 -1.370 -4.979
647 1HD2 LEU 80 1HD2 LEU 80 19.710 -3.330 -1.925
648 2HD2 LEU 80 2HD2 LEU 80 18.407 -4.230 -2.700
649 3HD2 LEU 80 3HD2 LEU 80 18.076 -3.253 -1.269
650 H TYR 81 H TYR 81 17.792 -2.418 0.740
651 HA TYR 81 HA TYR 81 19.237 -1.199 2.827
652 1HB TYR 81 2HB TYR 81 17.586 -3.191 2.902
653 2HB TYR 81 1HB TYR 81 18.982 -4.182 2.502
654 HD1 TYR 81 HD1 TYR 81 17.432 -2.061 5.059
655 HD2 TYR 81 HD2 TYR 81 20.708 -4.616 4.144
656 HE1 TYR 81 HE1 TYR 81 17.992 -2.186 7.449
657 HE2 TYR 81 HE2 TYR 81 21.278 -4.746 6.533
658 HH TYR 81 HH TYR 81 20.932 -3.407 8.594
659 H LEU 82 H LEU 82 21.283 -0.616 2.634
660 HA LEU 82 HA LEU 82 23.120 -2.069 0.934
661 1HB LEU 82 2HB LEU 82 22.918 0.527 1.463
662 2HB LEU 82 1HB LEU 82 23.986 0.114 2.786
663 HG LEU 82 HG LEU 82 25.238 0.970 0.882
664 1HD1 LEU 82 1HD1 LEU 82 26.342 -0.670 2.291
665 2HD1 LEU 82 2HD1 LEU 82 26.853 -0.848 0.613
666 3HD1 LEU 82 3HD1 LEU 82 25.690 -1.979 1.306
667 1HD2 LEU 82 1HD2 LEU 82 23.735 0.350 -0.903
668 2HD2 LEU 82 2HD2 LEU 82 24.064 -1.359 -0.623
669 3HD2 LEU 82 3HD2 LEU 82 25.344 -0.301 -1.217
670 H GLY 83 H GLY 83 23.625 -4.011 1.795
671 1HA GLY 83 2HA GLY 83 25.209 -3.990 4.237
672 2HA GLY 83 1HA GLY 83 23.774 -5.005 4.238
673 H GLY 84 H GLY 84 25.736 -6.507 4.686
674 1HA GLY 84 2HA GLY 84 27.007 -7.354 2.176
675 2HA GLY 84 1HA GLY 84 27.544 -7.779 3.794
676 H GLU 85 H GLU 85 24.167 -7.987 3.052
677 HA GLU 85 HA GLU 85 24.280 -10.884 3.223
678 1HB GLU 85 2HB GLU 85 21.707 -9.457 2.739
679 2HB GLU 85 1HB GLU 85 22.056 -10.821 3.770
680 1HG GLU 85 2HG GLU 85 21.440 -9.068 5.196
681 2HG GLU 85 1HG GLU 85 23.188 -9.229 5.342
682 H THR 86 H THR 86 22.336 -8.708 1.244
683 HA THR 86 HA THR 86 23.512 -9.590 -1.226
684 HB THR 86 HB THR 86 21.989 -11.475 -0.746
685 HG1 THR 86 HG1 THR 86 20.534 -10.387 -2.791
686 1HG2 THR 86 1HG2 THR 86 20.324 -10.318 0.599
687 2HG2 THR 86 2HG2 THR 86 19.554 -11.122 -0.769
688 3HG2 THR 86 3HG2 THR 86 19.818 -9.379 -0.804
689 H HIS 87 H HIS 87 22.579 -7.164 0.495
690 HA HIS 87 HA HIS 87 21.556 -5.152 0.315
691 1HB HIS 87 2HB HIS 87 21.684 -5.671 -2.668
692 2HB HIS 87 1HB HIS 87 21.337 -4.126 -1.914
693 HD1 HIS 87 HD1 HIS 87 23.313 -2.758 -2.556
694 HD2 HIS 87 HD2 HIS 87 24.398 -6.486 -1.068
695 HE1 HIS 87 HE1 HIS 87 25.822 -2.720 -2.375
696 HE2 HIS 87 HE2 HIS 87 26.462 -5.065 -1.714
697 H GLU 88 H GLU 88 19.552 -5.227 1.144
698 HA GLU 88 HA GLU 88 17.634 -7.002 -0.154
699 1HB GLU 88 2HB GLU 88 17.970 -6.024 2.644
700 2HB GLU 88 1HB GLU 88 16.364 -6.495 2.100
701 1HG GLU 88 2HG GLU 88 17.221 -8.691 1.467
702 2HG GLU 88 1HG GLU 88 18.827 -8.225 2.033
703 H HIS 89 H HIS 89 16.211 -6.229 -1.417
704 HA HIS 89 HA HIS 89 15.450 -3.486 -1.558
705 1HB HIS 89 2HB HIS 89 14.245 -6.032 -2.674
706 2HB HIS 89 1HB HIS 89 13.582 -4.438 -3.008
707 HD1 HIS 89 HD1 HIS 89 17.144 -5.814 -3.194
708 HD2 HIS 89 HD2 HIS 89 14.340 -3.801 -5.502
709 HE1 HIS 89 HE1 HIS 89 18.307 -5.236 -5.340
710 HE2 HIS 89 HE2 HIS 89 16.525 -4.260 -6.814
711 H TYR 90 H TYR 90 14.442 -2.627 0.227
712 HA TYR 90 HA TYR 90 12.571 -4.384 1.654
713 1HB TYR 90 2HB TYR 90 13.181 -3.287 3.702
714 2HB TYR 90 1HB TYR 90 14.655 -3.781 2.879
715 HD1 TYR 90 HD1 TYR 90 12.905 -1.084 4.395
716 HD2 TYR 90 HD2 TYR 90 15.885 -1.980 1.500
717 HE1 TYR 90 HE1 TYR 90 13.739 1.217 4.556
718 HE2 TYR 90 HE2 TYR 90 16.732 0.324 1.651
719 HH TYR 90 HH TYR 90 15.856 2.442 4.126
720 H GLY 91 H GLY 91 10.618 -3.666 2.287
721 1HA GLY 91 2HA GLY 91 9.971 -0.827 1.835
722 2HA GLY 91 1HA GLY 91 8.869 -2.099 1.312
723 H ILE 92 H ILE 92 7.888 -0.264 3.052
724 HA ILE 92 HA ILE 92 8.158 -1.436 5.724
725 HB ILE 92 HB ILE 92 6.678 1.095 5.019
726 1HG1 ILE 92 2HG1 ILE 92 9.586 0.714 5.776
727 2HG1 ILE 92 1HG1 ILE 92 8.965 1.364 4.265
728 1HG2 ILE 92 1HG2 ILE 92 7.065 1.630 7.393
729 2HG2 ILE 92 2HG2 ILE 92 7.834 0.057 7.608
730 3HG2 ILE 92 3HG2 ILE 92 6.123 0.151 7.190
731 1HD1 ILE 92 1HD1 ILE 92 9.817 3.121 5.686
732 2HD1 ILE 92 2HD1 ILE 92 8.711 2.638 6.972
733 3HD1 ILE 92 3HD1 ILE 92 8.076 3.291 5.461
734 HA PRO 93 HA PRO 93 4.296 -3.474 4.748
735 1HB PRO 93 2HB PRO 93 4.352 -5.250 6.754
736 2HB PRO 93 1HB PRO 93 5.436 -5.382 5.365
737 1HG PRO 93 2HG PRO 93 5.995 -4.358 8.114
738 2HG PRO 93 1HG PRO 93 7.014 -5.351 7.057
739 1HD PRO 93 2HD PRO 93 7.277 -2.620 7.392
740 2HD PRO 93 1HD PRO 93 7.868 -3.530 5.989
741 H HIS 94 H HIS 94 2.363 -2.685 5.179
742 HA HIS 94 HA HIS 94 1.715 -1.934 7.956
743 1HB HIS 94 2HB HIS 94 0.651 -0.712 5.395
744 2HB HIS 94 1HB HIS 94 0.132 -0.282 7.018
745 HD1 HIS 94 HD1 HIS 94 3.368 -0.300 5.014
746 HD2 HIS 94 HD2 HIS 94 1.451 1.848 8.003
747 HE1 HIS 94 HE1 HIS 94 4.862 1.653 5.497
748 HE2 HIS 94 HE2 HIS 94 3.577 3.055 7.157
749 H GLY 95 H GLY 95 -0.809 -1.812 8.133
750 1HA GLY 95 2HA GLY 95 -2.410 -3.502 6.537
751 2HA GLY 95 1HA GLY 95 -1.856 -4.379 7.959
752 H PHE 96 H PHE 96 -4.554 -3.827 7.498
753 HA PHE 96 HA PHE 96 -5.190 -1.980 9.670
754 1HB PHE 96 2HB PHE 96 -6.540 -1.771 6.966
755 2HB PHE 96 1HB PHE 96 -6.798 -0.733 8.363
756 HD1 PHE 96 HD1 PHE 96 -4.890 0.744 9.123
757 HD2 PHE 96 HD2 PHE 96 -4.917 -1.283 5.387
758 HE1 PHE 96 HE1 PHE 96 -3.162 2.278 8.284
759 HE2 PHE 96 HE2 PHE 96 -3.191 0.246 4.541
760 HZ PHE 96 HZ PHE 96 -2.307 2.028 5.990
761 H SER 97 H SER 97 -7.983 -1.981 8.989
762 HA SER 97 HA SER 97 -8.789 -4.769 8.869
763 1HB SER 97 2HB SER 97 -10.148 -4.431 11.003
764 2HB SER 97 1HB SER 97 -8.402 -4.588 11.214
765 HG SER 97 HG SER 97 -10.008 -2.555 11.917
766 H SER 98 H SER 98 -9.197 -1.795 7.743
767 HA SER 98 HA SER 98 -11.909 -2.279 6.940
768 1HB SER 98 2HB SER 98 -12.187 -1.050 9.098
769 2HB SER 98 1HB SER 98 -11.276 0.293 8.409
770 HG SER 98 HG SER 98 -13.876 -0.285 8.135
771 H ARG 99 H ARG 99 -12.239 -1.579 4.953
772 HA ARG 99 HA ARG 99 -10.195 -0.535 3.353
773 1HB ARG 99 2HB ARG 99 -13.181 -0.711 2.971
774 2HB ARG 99 1HB ARG 99 -12.095 -0.134 1.711
775 1HG ARG 99 2HG ARG 99 -11.207 -2.198 1.331
776 2HG ARG 99 1HG ARG 99 -11.481 -2.745 2.985
777 1HD ARG 99 2HD ARG 99 -12.905 -3.894 1.330
778 2HD ARG 99 1HD ARG 99 -13.829 -3.027 2.553
779 HE ARG 99 HE ARG 99 -14.253 -1.309 0.888
780 1HH1 ARG 99 1HH1 ARG 99 -13.041 -4.395 -0.264
781 2HH1 ARG 99 2HH1 ARG 99 -13.730 -4.215 -1.852
782 1HH2 ARG 99 1HH2 ARG 99 -15.188 -1.082 -1.185
783 2HH2 ARG 99 2HH2 ARG 99 -14.957 -2.325 -2.372
784 H ILE 100 H ILE 100 -12.933 1.071 4.938
785 HA ILE 100 HA ILE 100 -12.561 3.618 3.805
786 HB ILE 100 HB ILE 100 -14.594 2.906 5.089
787 1HG1 ILE 100 2HG1 ILE 100 -15.013 5.112 6.086
788 2HG1 ILE 100 1HG1 ILE 100 -13.289 5.467 6.035
789 1HG2 ILE 100 1HG2 ILE 100 -12.850 3.444 7.473
790 2HG2 ILE 100 2HG2 ILE 100 -13.508 1.880 6.991
791 3HG2 ILE 100 3HG2 ILE 100 -14.592 3.168 7.516
792 1HD1 ILE 100 1HD1 ILE 100 -13.343 5.365 3.599
793 2HD1 ILE 100 2HD1 ILE 100 -14.466 6.569 4.228
794 3HD1 ILE 100 3HD1 ILE 100 -15.071 5.015 3.654
795 H ALA 101 H ALA 101 -11.017 2.028 6.521
796 HA ALA 101 HA ALA 101 -9.731 4.282 7.614
797 1HB ALA 101 1HB ALA 101 -9.919 2.143 8.804
798 2HB ALA 101 2HB ALA 101 -8.246 2.694 8.710
799 3HB ALA 101 3HB ALA 101 -8.811 1.407 7.644
800 H LEU 102 H LEU 102 -8.660 1.853 5.263
801 HA LEU 102 HA LEU 102 -6.132 2.895 4.714
802 1HB LEU 102 2HB LEU 102 -6.825 0.714 3.912
803 2HB LEU 102 1HB LEU 102 -8.060 1.439 2.900
804 HG LEU 102 HG LEU 102 -6.344 2.450 1.485
805 1HD1 LEU 102 1HD1 LEU 102 -4.375 1.066 3.297
806 2HD1 LEU 102 2HD1 LEU 102 -4.622 2.807 3.169
807 3HD1 LEU 102 3HD1 LEU 102 -3.982 1.901 1.795
808 1HD2 LEU 102 1HD2 LEU 102 -5.880 -0.491 1.956
809 2HD2 LEU 102 2HD2 LEU 102 -5.448 0.404 0.500
810 3HD2 LEU 102 3HD2 LEU 102 -7.144 0.209 0.943
811 H GLU 103 H GLU 103 -9.287 3.714 3.385
812 HA GLU 103 HA GLU 103 -8.574 5.489 1.370
813 1HB GLU 103 2HB GLU 103 -10.908 4.605 2.203
814 2HB GLU 103 1HB GLU 103 -10.890 6.050 3.199
815 1HG GLU 103 2HG GLU 103 -10.556 6.120 0.215
816 2HG GLU 103 1HG GLU 103 -12.117 6.233 1.020
817 H ARG 104 H ARG 104 -9.232 6.166 4.789
818 HA ARG 104 HA ARG 104 -8.714 8.957 4.619
819 1HB ARG 104 2HB ARG 104 -8.671 7.190 7.077
820 2HB ARG 104 1HB ARG 104 -8.904 8.933 7.035
821 1HG ARG 104 2HG ARG 104 -11.015 8.621 5.848
822 2HG ARG 104 1HG ARG 104 -10.777 6.873 5.888
823 1HD ARG 104 2HD ARG 104 -12.270 7.498 7.660
824 2HD ARG 104 1HD ARG 104 -10.734 6.986 8.358
825 HE ARG 104 HE ARG 104 -11.214 9.848 7.926
826 1HH1 ARG 104 1HH1 ARG 104 -10.787 7.142 10.122
827 2HH1 ARG 104 2HH1 ARG 104 -10.614 8.149 11.524
828 1HH2 ARG 104 1HH2 ARG 104 -10.989 11.174 9.777
829 2HH2 ARG 104 2HH2 ARG 104 -10.735 10.438 11.337
830 H TYR 105 H TYR 105 -6.694 6.160 5.345
831 HA TYR 105 HA TYR 105 -4.511 7.703 6.325
832 1HB TYR 105 2HB TYR 105 -4.789 4.851 5.419
833 2HB TYR 105 1HB TYR 105 -3.228 5.533 5.858
834 HD1 TYR 105 HD1 TYR 105 -3.543 7.076 8.155
835 HD2 TYR 105 HD2 TYR 105 -5.688 3.553 7.114
836 HE1 TYR 105 HE1 TYR 105 -4.028 6.678 10.531
837 HE2 TYR 105 HE2 TYR 105 -6.179 3.145 9.488
838 HH TYR 105 HH TYR 105 -5.707 5.483 11.887
839 H LEU 106 H LEU 106 -5.260 6.254 3.148
840 HA LEU 106 HA LEU 106 -2.997 7.237 1.789
841 1HB LEU 106 2HB LEU 106 -5.812 6.878 0.744
842 2HB LEU 106 1HB LEU 106 -4.384 7.094 -0.248
843 HG LEU 106 HG LEU 106 -4.906 4.740 1.572
844 1HD1 LEU 106 1HD1 LEU 106 -5.011 4.982 -1.432
845 2HD1 LEU 106 2HD1 LEU 106 -6.390 4.752 -0.355
846 3HD1 LEU 106 3HD1 LEU 106 -5.173 3.484 -0.515
847 1HD2 LEU 106 1HD2 LEU 106 -2.943 3.757 0.490
848 2HD2 LEU 106 2HD2 LEU 106 -2.527 5.234 1.358
849 3HD2 LEU 106 3HD2 LEU 106 -2.681 5.258 -0.400
850 H ASN 107 H ASN 107 -6.031 8.662 2.691
851 HA ASN 107 HA ASN 107 -5.997 11.072 1.293
852 1HB ASN 107 2HB ASN 107 -7.883 10.130 2.618
853 2HB ASN 107 1HB ASN 107 -7.027 10.546 4.085
854 1HD2 ASN 107 1HD2 ASN 107 -8.889 11.721 1.427
855 2HD2 ASN 107 2HD2 ASN 107 -9.126 13.320 2.054
856 H GLY 108 H GLY 108 -4.893 10.383 4.587
857 1HA GLY 108 2HA GLY 108 -3.791 13.033 4.910
858 2HA GLY 108 1HA GLY 108 -3.724 11.728 6.078
859 H LEU 109 H LEU 109 -2.425 9.812 4.373
860 HA LEU 109 HA LEU 109 0.253 10.632 4.947
861 1HB LEU 109 2HB LEU 109 -0.338 8.365 5.351
862 2HB LEU 109 1HB LEU 109 -0.934 8.155 3.721
863 HG LEU 109 HG LEU 109 1.292 8.105 2.830
864 1HD1 LEU 109 1HD1 LEU 109 3.272 8.392 4.177
865 2HD1 LEU 109 2HD1 LEU 109 2.288 8.665 5.615
866 3HD1 LEU 109 3HD1 LEU 109 2.269 9.839 4.298
867 1HD2 LEU 109 1HD2 LEU 109 2.187 6.163 3.954
868 2HD2 LEU 109 2HD2 LEU 109 0.427 6.050 3.868
869 3HD2 LEU 109 3HD2 LEU 109 1.211 6.516 5.380
870 H PHE 110 H PHE 110 -1.381 9.734 1.903
871 HA PHE 110 HA PHE 110 0.893 10.816 0.428
872 1HB PHE 110 2HB PHE 110 -1.531 9.276 -0.520
873 2HB PHE 110 1HB PHE 110 -0.222 9.829 -1.561
874 HD1 PHE 110 HD1 PHE 110 -1.351 7.282 0.698
875 HD2 PHE 110 HD2 PHE 110 2.091 8.939 -1.177
876 HE1 PHE 110 HE1 PHE 110 -0.099 5.219 1.180
877 HE2 PHE 110 HE2 PHE 110 3.348 6.882 -0.699
878 HZ PHE 110 HZ PHE 110 2.253 5.017 0.481
879 H GLY 111 H GLY 111 -2.628 11.212 0.658
880 1HA GLY 111 2HA GLY 111 -3.817 13.206 0.494
881 2HA GLY 111 1HA GLY 111 -2.341 14.021 -0.006
882 H ASP 112 H ASP 112 -5.291 12.786 -1.020
883 HA ASP 112 HA ASP 112 -4.711 12.247 -3.712
884 1HB ASP 112 2HB ASP 112 -6.787 11.449 -2.796
885 2HB ASP 112 1HB ASP 112 -7.288 13.100 -2.449
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